------------------------------------------------------------
          Invoking FHI-aims ...

          When using FHI-aims, please cite the following reference:

            Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu,
            Ville Havu, Xinguo Ren, Karsten Reuter, and Matthias Scheffler,
            'Ab Initio Molecular Simulations with Numeric Atom-Centered Orbitals',
            Computer Physics Communications 180, 2175-2196 (2009)

          In addition, many other developments in FHI-aims are likely important for
          your particular application. A partial list of references is given at the end of
          this file. Thank you for giving credit to the authors of these developments.

          For any questions about FHI-aims, please visit our slack channel at

            https://fhi-aims.slack.com

          and our main development and support site at

            https://aims-git.rz-berlin.mpg.de .

          The latter site, in particular, has a wiki to collect information, as well
          as an issue tracker to log discussions, suggest improvements, and report issues
          or bugs. https://aims-git.rz-berlin.mpg.de is also the main development site
          of the project and all new and updated code versions can be obtained there.
          Please send an email to aims-coordinators@fhi-berlin.mpg.de and we will add
          you to these sites. They are for you and everyone is welcome there.

------------------------------------------------------------



  Date     :  20220720, Time     :  184334.256
  Time zero on CPU 1             :   0.272686000000000E+01  s.
  Internal wall clock time zero  :           427574614.256  s.

  FHI-aims created a unique identifier for this run for later identification
  aims_uuid : CD5D28D7-6F01-456C-A78A-69C4B52DB97B

  Build configuration of the current instance of FHI-aims
  -------------------------------------------------------
  FHI-aims version      : 220619
  Commit number         : 375d76c9a
  CMake host system     : Linux-4.12.14-197.78_9.1.64-cray_shasta_c
  CMake version         : 3.22.1
  Fortran compiler      : /opt/cray/pe/craype/2.7.6/bin/ftn (GNU) version 10.2.0
  Fortran compiler flags: -O2 -fallow-argument-mismatch -ffree-line-length-none
  C compiler            : /opt/cray/pe/craype/2.7.6/bin/cc (GNU) version 10.2.0
  C compiler flags      : -O2
  Using MPI
  Using ScaLAPACK
  Using LibXC
  Using i-PI
  Using RLSY
  Linking against:

  Using     2048 parallel tasks.
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  Performing system and environment tests:
  | Environment variable OMP_NUM_THREADS correctly set to 1.
  | Checking for ScaLAPACK...
  | Testing pdtran()...
  | All pdtran() tests passed.

  Obtaining array dimensions for all initial allocations:
  
  -----------------------------------------------------------------------
  Parsing control.in (first pass over file, find array dimensions only).
  The contents of control.in will be repeated verbatim below
  unless switched off by setting 'verbatim_writeout .false.' .
  in the first line of control.in .
  -----------------------------------------------------------------------
  
  xc               pbesol
  charge           0.
  spin             none
  relativistic atomic_zora scalar
  k_grid                12 8 12
  sc_accuracy_rho       1E-7
  include_spin_orbit
  output band   0.00000  0.00000  0.00000   0.00000  0.00000  0.50000   23 G  X
   output band   0.00000  0.00000  0.50000   0.50000  0.00000  0.50000   23 X  S
   output band   0.50000  0.00000  0.50000   0.50000  0.00000  0.00000   23 S  Y
   output band   0.50000  0.00000  0.00000   0.00000  0.00000  0.00000   23 Y  G
   output band   0.00000  0.00000  0.00000   0.00000  0.50000  0.00000   16 G  Z
   output band   0.00000  0.50000  0.00000   0.00000  0.50000  0.50000   23 Z  U
   output band   0.00000  0.50000  0.50000   0.50000  0.50000  0.50000   23 U  R
   output band   0.50000  0.50000  0.50000   0.50000  0.50000  0.00000   23 R  T
   output band   0.50000  0.50000  0.00000   0.00000  0.50000  0.00000   23 T  Z
   output band   0.50000  0.00000  0.00000   0.50000  0.50000  0.00000   16 Y  T
   output band   0.00000  0.50000  0.50000   0.00000  0.00000  0.50000   16 U  X
   output band   0.50000  0.00000  0.50000   0.50000  0.50000  0.50000   16 S  R
    output dos -10 10 51 0.1
  
  ################################################################################
  #
  #  FHI-aims code project
  #  Volker Blum, Fritz Haber Institute Berlin, 2009
  #
  #  Suggested "tight" defaults for Ba atom (to be pasted into control.in file)
  #
  #  The onset of the cutoff pot'l WAS set to 8 A by default, because the neutral
  #  Ba atom is a large atom. However, this is very expensive. The radius should be
  #  much smaller in real-world situations, where Ba will be ionic. Please check
  #  and reduce the cutoff radius explicitly.
  #
  #  2015/11/12 : f and g functions from tier2 added to default basis set choice.
  #               These functions make a difference in the "delta test".
  #               Reduced the default cutoff radius to 6AA. The free-atom 6s function
  #               requires more. However, 6AA is already VERY expensive for
  #               any production calculations. In fact, revisit this choice for
  #               ionic systems to see if a smaller cutoff radius will do.
  #
  ################################################################################
    species          Ba
  #     global species definitions
      nucleus        56
      mass           137.327
  #
      l_hartree      6
  #
      cut_pot        6.0  2.0  1.0
      basis_dep_cutoff    1e-4
  #
      radial_base    65  7.0
      radial_multiplier  2
      angular_grids specified
        division   0.6752  110
        division   0.9746  194
        division   1.2241  302
        division   1.3850  434
  #      division   1.4734  590
  #      division   1.6010  770
  #      division   4.8366  974
  #      outer_grid  974
        outer_grid  434
  ################################################################################
  #
  #  Definition of "minimal" basis
  #
  ################################################################################
  #     valence basis states
      valence      6  s   2.
      valence      5  p   6.
      valence      4  d  10.
  #     ion occupancy
      ion_occ      6  s   1.
      ion_occ      5  p   6.
      ion_occ      4  d  10.
  ################################################################################
  #
  #  Suggested additional basis functions. For production calculations,
  #  uncomment them one after another (the most important basis functions are
  #  listed first).
  #
  #  Constructed for dimers: 2.65, 3.00, 3.50, 4.40, 5.50 Ang
  #
  ################################################################################
  #  "First tier" - improvements: -1277.43 meV to -9.16 meV
       ionic 5 d auto
       ionic 4 f auto
       hydro 3 p 2.7
       hydro 4 s 3.3
  #  "Second tier" - improvements: -64.04 (!) meV to -0.25 meV
       hydro 4 f 5.8
       hydro 5 g 7.4
  #     hydro 4 d 4.5
  #     hydro 6 h 11.2
  #     hydro 5 p 6.6
  #     hydro 2 s 3.2
  #  "Third tier" - max. impr. -1.16 meV, min. impr. -0.08 meV
  #     hydro 5 f 7.4
  #     hydro 5 g 10.8
  #     hydro 4 d 2.3
  #     hydro 4 p 3.7
  #     hydro 5 s 4.0
  #  Further functions - impr. -0.35 meV and below
  #     hydro 5 d 3.5
  #     hydro 6 d 0.4
  #     hydro 2 p 2.5
  #     hydro 5 f 12
  #     hydro 6 d 8.8
  ################################################################################
  #
  #  FHI-aims code project
  #  Volker Blum, Fritz Haber Institute Berlin, 2009
  #
  #  Suggested "tight" defaults for Zr atom (to be pasted into control.in file)
  #
  ################################################################################
    species          Zr
  #     global species definitions
      nucleus        40
      mass           91.224
  #
      l_hartree      6
  #
      cut_pot        4.0  2.0  1.0
      basis_dep_cutoff    1e-4
  #
      radial_base    58  7.0
      radial_multiplier  2
      angular_grids specified
        division   0.3653   50
        division   0.8035  110
        division   1.2273  194
        division   1.4586  302
        division   1.6764  434
  #      division   1.9671  590
  #      division   2.1961  770
  #      division   2.3240  974
  #      division   3.4772 1202
  #      outer_grid  974
        outer_grid  434
  ################################################################################
  #
  #  Definition of "minimal" basis
  #
  ################################################################################
  #     valence basis states
      valence      5  s   2.
      valence      4  p   6.
      valence      4  d   2.
  #     ion occupancy
      ion_occ      5  s   1.
      ion_occ      4  p   6.
      ion_occ      4  d   1.
  ################################################################################
  #
  #  Suggested additional basis functions. For production calculations,
  #  uncomment them one after another (the most important basis functions are
  #  listed first).
  #
  #  Constructed for dimers: 1.9, 2.25, 3.00, 4.00 Ang
  #
  ################################################################################
  #  "First tier" - improvements: -605.96 meV to -18.06 meV
       hydro 4 f 7.2
       ionic 4 d auto
       ionic 5 p auto
       hydro 5 g 10.4
       ionic 5 s auto
  #  "Second tier" - improvements: -32.47 meV to -1.41 meV
  #     hydro 4 f 10.4
  #     hydro 6 h 14.8
  #     hydro 4 d 6.2
  #     hydro 4 p 4.4
  #     hydro 4 f 20
  #     hydro 5 s 6
  #  "Third tier" - improvements: -1.99 meV and lower.
  #     hydro 4 f 5.8
  #     hydro 5 g 10.8
  #     hydro 2 p 1
  #     hydro 3 d 8
  #     hydro 6 h 14.4
  #     hydro 1 s 0.9
  #  Further functions (approx -0.40 meV and below possible)
  ################################################################################
  #
  #  FHI-aims code project
  #  Volker Blum, Fritz Haber Institute Berlin, 2009
  #
  #  Suggested "tight" defaults for S atom (to be pasted into control.in file)
  #
  #  Revised Jan 04, 2011, following tests (SiC) done by Lydia Nemec:
  #     d and g functions of tier 2 now enabled by default.
  #
  ################################################################################
    species        S
  #     global species definitions
      nucleus             16
      mass                32.065
  #
      l_hartree           6
  #
      cut_pot             4.0          2.0  1.0
      basis_dep_cutoff    1e-4
  #
      radial_base         44 7.0
      radial_multiplier   2
      angular_grids       specified
        division   0.4665  110
        division   0.5810  194
        division   0.7139  302
        division   0.8274  434
  #      division   0.9105  590
  #      division   1.0975  770
  #      division   1.2028  974
  #      outer_grid  974
        outer_grid  434
  ################################################################################
  #
  #  Definition of "minimal" basis
  #
  ################################################################################
  #     valence basis states
      valence      3  s   2.
      valence      3  p   4.
  #     ion occupancy
      ion_occ      3  s   1.
      ion_occ      3  p   3.
  ################################################################################
  #
  #  Suggested additional basis functions. For production calculations,
  #  uncomment them one after another (the most important basis functions are
  #  listed first).
  #
  #  Constructed for dimers: 1.6 A, 1.9 A, 2.5 A, 3.25 A, 4.0 A
  #
  ################################################################################
  #  "First tier" - improvements: -652.81 meV to -45.53 meV
       ionic 3 d auto
       hydro 2 p 1.8
       hydro 4 f 7
       ionic 3 s auto
  #  "Second tier" - improvements: -30.20 meV to -1.74 meV
       hydro 4 d 6.2
       hydro 5 g 10.8
  #     hydro 4 p 4.9
  #     hydro 5 f 10
  #     hydro 1 s 0.8
  #  "Third tier" - improvements: -1.04 meV to -0.20 meV
  #     hydro 3 d 3.9
  #     hydro 3 d 2.7
  #     hydro 5 g 12
  #     hydro 4 p 10.4
  #     hydro 5 f 12.4
  #     hydro 2 s 1.9
  #  "Fourth tier" - improvements: -0.35 meV to -0.06 meV
  #     hydro 4 d 10.4
  #     hydro 4 p 7.2
  #     hydro 4 d 10
  #     hydro 5 g 19.2
  #     hydro 4 s 12
  
  ################################################################################
  #
  # For methods that use the localized form of the "resolution of identity" for
  # the two-electron Coulomb operator (RI_method LVL), particularly Hartree-Fock and
  # hybrid density functional calculations, the highest accuracy can be obtained by
  # uncommenting the line beginning with "for_aux"  below, thus adding an extra g radial
  # function to the construction of the product basis set for the expansion.
  # See Ref. New J. Phys. 17, 093020 (2015) for more information, particularly Figs. 1 and 6.
  #
  ################################################################################
  #
  # for_aux hydro 5 g 6.0
  
  -----------------------------------------------------------------------
  Completed first pass over input file control.in .
  -----------------------------------------------------------------------
  
  
  -----------------------------------------------------------------------
  Parsing geometry.in (first pass over file, find array dimensions only).
  The contents of geometry.in will be repeated verbatim below
  unless switched off by setting 'verbatim_writeout .false.' .
  in the first line of geometry.in .
  -----------------------------------------------------------------------
  
  #
  # This is the geometry file that corresponds to the current relaxation step.
  # If you do not want this file to be written, set the "write_restart_geometry" flag to .false.
  #  aims_uuid : 41DD976C-9B6C-45DD-A5F1-A27C83E4F9BA
  #
  lattice_vector      7.06714763      0.00000000      0.00000000
  lattice_vector      0.00000000      9.90634565      0.00000000
  lattice_vector      0.00000000      0.00000000      6.92224704
  atom_frac       0.94625315      0.25000000      0.51201087 Ba
  atom_frac       0.55374685      0.75000000      0.01201087 Ba
  atom_frac       0.05374685      0.75000000      0.48798913 Ba
  atom_frac       0.44625315      0.25000000      0.98798913 Ba
  atom_frac       0.00562487      0.25000000      0.06536547 S
  atom_frac       0.49437513      0.75000000     -0.43463453 S
  atom_frac       0.99437513      0.75000000      0.93463453 S
  atom_frac       0.50562487      0.25000000      0.43463453 S
  atom_frac       0.20805041      0.03431029      0.70757531 S
  atom_frac       0.29194959      0.96568971      0.20757531 S
  atom_frac       0.79194959      0.53431029      0.29242469 S
  atom_frac       0.70805041      0.46568971      0.79242469 S
  atom_frac       0.79194959      0.96568971      0.29242469 S
  atom_frac       0.70805041      0.03431029      0.79242469 S
  atom_frac       0.20805041      0.46568971      0.70757531 S
  atom_frac       0.29194959      0.53431029      0.20757531 S
  atom_frac       0.00000000      0.00000000      0.00000000 Zr
  atom_frac       0.50000000      0.00000000      0.50000000 Zr
  atom_frac       0.00000000      0.50000000      0.00000000 Zr
  atom_frac       0.50000000      0.50000000      0.50000000 Zr
  #
  # What follows is the current estimated Hessian matrix constructed by the BFGS algorithm.
  # This is NOT the true Hessian matrix of the system.
  # If you do not want this information here, switch it off using the "hessian_to_restart_geometry" keyword.
  #
  trust_radius             0.0241286667
  hessian_block                1       1          10.828495           2.087894          -2.753738           2.087894          10.54204
  hessian_block                1       2           1.694768          -2.695738          -1.544645          -4.212140          -1.23485
  hessian_block                1       3          -2.823454          -0.346066           2.585771           0.000000           0.00000
  hessian_block                2       2          11.842699          -0.225083          -8.783807          -0.225083          45.61029
  hessian_block                2       3          -0.451028         -27.170088          -6.969174           0.000000           0.00000
  hessian_block                3       3          44.053077           0.000000           0.000000           0.000000           0.00000
  hessian_block_lv             1       1          12.797880           3.472392           7.199342           3.472392           6.22762
  hessian_block_lv_atom        1       1           3.366044           0.092952          -1.160305          -1.379579          -0.67492
  hessian_block_lv_atom        1       2           1.432496           1.962351          -1.849958          -1.629996           1.89891
  hessian_block_lv_atom        1       3           4.220215           2.026870          -2.753150           0.000000           0.00000
  
  -----------------------------------------------------------------------
  Completed first pass over input file geometry.in .
  -----------------------------------------------------------------------
  

  Basic array size parameters:
  | Number of species                 :        3
  | Number of atoms                   :       20
  | Number of lattice vectors         :        3
  | Max. basis fn. angular momentum   :        4
  | Max. atomic/ionic basis occupied n:        6
  | Max. number of basis fn. types    :        3
  | Max. radial fns per species/type  :       12
  | Max. logarithmic grid size        :     1460
  | Max. radial integration grid size :      131
  | Max. angular integration grid size:      434
  | Max. angular grid division number :        8
  | Radial grid for Hartree potential :     1460
  | Number of spin channels           :        1

------------------------------------------------------------
          Reading file control.in.
------------------------------------------------------------
  XC: Using PBEsol gradient-corrected functionals.
  Charge =   0.000000E+00: Neutral system requested explicitly.
  Spin treatment: No spin polarisation.
  Scalar relativistic treatment of kinetic energy: on-site free-atom approximation to ZORA.
  Found k-point grid:        12         8        12
  Convergence accuracy of self-consistent charge density:  0.1000E-06
  Calculating non-self-consistent second-variational spin-orbit coupling after scf-cycle

  Plot band    1
  | begin  0.000000  0.000000  0.000000
  | end    0.000000  0.000000  0.500000
  | number of points:   23

  Plot band    2
  | begin  0.000000  0.000000  0.500000
  | end    0.500000  0.000000  0.500000
  | number of points:   23

  Plot band    3
  | begin  0.500000  0.000000  0.500000
  | end    0.500000  0.000000  0.000000
  | number of points:   23

  Plot band    4
  | begin  0.500000  0.000000  0.000000
  | end    0.000000  0.000000  0.000000
  | number of points:   23

  Plot band    5
  | begin  0.000000  0.000000  0.000000
  | end    0.000000  0.500000  0.000000
  | number of points:   16

  Plot band    6
  | begin  0.000000  0.500000  0.000000
  | end    0.000000  0.500000  0.500000
  | number of points:   23

  Plot band    7
  | begin  0.000000  0.500000  0.500000
  | end    0.500000  0.500000  0.500000
  | number of points:   23

  Plot band    8
  | begin  0.500000  0.500000  0.500000
  | end    0.500000  0.500000  0.000000
  | number of points:   23

  Plot band    9
  | begin  0.500000  0.500000  0.000000
  | end    0.000000  0.500000  0.000000
  | number of points:   23

  Plot band   10
  | begin  0.500000  0.000000  0.000000
  | end    0.500000  0.500000  0.000000
  | number of points:   16

  Plot band   11
  | begin  0.000000  0.500000  0.500000
  | end    0.000000  0.000000  0.500000
  | number of points:   16

  Plot band   12
  | begin  0.500000  0.000000  0.500000
  | end    0.500000  0.500000  0.500000
  | number of points:   16
  Calculating density of states with
  | energy interval :-10.000000 10.000000
  | points & broadening :    51  0.100000

  Reading configuration options for species Ba                  .
  | Found nuclear charge :  56.0000
  | Found atomic mass :    137.32700000000000      amu
  | Found l_max for Hartree potential  :   6
  | Found cutoff potl. onset [A], width [A], scale factor :    6.00000    2.00000    1.00000
  | Threshold for basis-dependent cutoff potential is   0.100000E-03
  | Found data for basic radial integration grid :    65 points, outermost radius =    7.000 A
  | Found multiplier for basic radial grid :   2
  | Found angular grid specification: user-specified.
  | Specified grid contains     5 separate shells.
  | Check grid settings after all constraints further below.
  | Found free-atom valence shell :  6 s   2.000
  | Found free-atom valence shell :  5 p   6.000
  | Found free-atom valence shell :  4 d  10.000
  | Found free-ion valence shell :  6 s   1.000
  | Found free-ion valence shell :  5 p   6.000
  | Found free-ion valence shell :  4 d  10.000
  | Found ionic basis function :  5 d , default cutoff radius.
  | Found ionic basis function :  4 f , default cutoff radius.
  | Found hydrogenic basis function :  3 p   2.700
  | Found hydrogenic basis function :  4 s   3.300
  | Found hydrogenic basis function :  4 f   5.800
  | Found hydrogenic basis function :  5 g   7.400
  Species Ba                  : Missing cutoff potential type.
  Defaulting to exp(1/x)/(1-x)^2 type cutoff potential.
  Species Ba: No 'logarithmic' tag. Using default grid for free atom:
  | Default logarithmic grid data [bohr] : 0.1000E-03 0.1000E+03 0.1012E+01
  | Will include ionic basis functions of  1.0-fold positive Ba                   ion.
  Species Ba: On-site basis accuracy parameter (for Gram-Schmidt orthonormalisation) not specified.
  Using default value basis_acc =  0.1000000E-03.
  Species Ba                  : Using default innermost maximum threshold i_radial=  2 for radial functions.
  Species Ba                  : Default cutoff onset for free atom density etc. : 0.60000000E+01 AA.
  Species Ba                  : Basic radial grid will be enhanced according to radial_multiplier =   2, to contain   131 grid points.

  Reading configuration options for species Zr                  .
  | Found nuclear charge :  40.0000
  | Found atomic mass :    91.224000000000004      amu
  | Found l_max for Hartree potential  :   6
  | Found cutoff potl. onset [A], width [A], scale factor :    4.00000    2.00000    1.00000
  | Threshold for basis-dependent cutoff potential is   0.100000E-03
  | Found data for basic radial integration grid :    58 points, outermost radius =    7.000 A
  | Found multiplier for basic radial grid :   2
  | Found angular grid specification: user-specified.
  | Specified grid contains     6 separate shells.
  | Check grid settings after all constraints further below.
  | Found free-atom valence shell :  5 s   2.000
  | Found free-atom valence shell :  4 p   6.000
  | Found free-atom valence shell :  4 d   2.000
  | Found free-ion valence shell :  5 s   1.000
  | Found free-ion valence shell :  4 p   6.000
  | Found free-ion valence shell :  4 d   1.000
  | Found hydrogenic basis function :  4 f   7.200
  | Found ionic basis function :  4 d , default cutoff radius.
  | Found ionic basis function :  5 p , default cutoff radius.
  | Found hydrogenic basis function :  5 g  10.400
  | Found ionic basis function :  5 s , default cutoff radius.
  Species Zr                  : Missing cutoff potential type.
  Defaulting to exp(1/x)/(1-x)^2 type cutoff potential.
  Species Zr: No 'logarithmic' tag. Using default grid for free atom:
  | Default logarithmic grid data [bohr] : 0.1000E-03 0.1000E+03 0.1012E+01
  | Will include ionic basis functions of  2.0-fold positive Zr                   ion.
  Species Zr: On-site basis accuracy parameter (for Gram-Schmidt orthonormalisation) not specified.
  Using default value basis_acc =  0.1000000E-03.
  Species Zr                  : Using default innermost maximum threshold i_radial=  2 for radial functions.
  Species Zr                  : Default cutoff onset for free atom density etc. : 0.40000000E+01 AA.
  Species Zr                  : Basic radial grid will be enhanced according to radial_multiplier =   2, to contain   117 grid points.

  Reading configuration options for species S                   .
  | Found nuclear charge :  16.0000
  | Found atomic mass :    32.064999999999998      amu
  | Found l_max for Hartree potential  :   6
  | Found cutoff potl. onset [A], width [A], scale factor :    4.00000    2.00000    1.00000
  | Threshold for basis-dependent cutoff potential is   0.100000E-03
  | Found data for basic radial integration grid :    44 points, outermost radius =    7.000 A
  | Found multiplier for basic radial grid :   2
  | Found angular grid specification: user-specified.
  | Specified grid contains     5 separate shells.
  | Check grid settings after all constraints further below.
  | Found free-atom valence shell :  3 s   2.000
  | Found free-atom valence shell :  3 p   4.000
  | Found free-ion valence shell :  3 s   1.000
  | Found free-ion valence shell :  3 p   3.000
  | Found ionic basis function :  3 d , default cutoff radius.
  | Found hydrogenic basis function :  2 p   1.800
  | Found hydrogenic basis function :  4 f   7.000
  | Found ionic basis function :  3 s , default cutoff radius.
  | Found hydrogenic basis function :  4 d   6.200
  | Found hydrogenic basis function :  5 g  10.800
  Species S                   : Missing cutoff potential type.
  Defaulting to exp(1/x)/(1-x)^2 type cutoff potential.
  Species S : No 'logarithmic' tag. Using default grid for free atom:
  | Default logarithmic grid data [bohr] : 0.1000E-03 0.1000E+03 0.1012E+01
  | Will include ionic basis functions of  2.0-fold positive S                    ion.
  Species S : On-site basis accuracy parameter (for Gram-Schmidt orthonormalisation) not specified.
  Using default value basis_acc =  0.1000000E-03.
  Species S                   : Using default innermost maximum threshold i_radial=  2 for radial functions.
  Species S                   : Default cutoff onset for free atom density etc. : 0.40000000E+01 AA.
  Species S                   : Basic radial grid will be enhanced according to radial_multiplier =   2, to contain    89 grid points.

  Finished reading input file 'control.in'.

------------------------------------------------------------


------------------------------------------------------------
          Reading geometry description geometry.in.
------------------------------------------------------------
  | The smallest distance between any two atoms is         2.51789494 AA.
  | The first atom of this pair is atom number                      6 .
  | The second atom of this pair is atom number                    20 .
  | Wigner-Seitz cell of the first atom image          -1     0     1 .
  | (The Wigner-Seitz cell of the second atom is 0 0 0  by definition.)

  Symmetry information by spglib:
  | Precision set to  0.1E-04
  | Number of Operations  : 8
  | Space group           : 62
  | International         : Pnma
  | Schoenflies           : D2h^16
  Input structure read successfully.
  The structure contains       20 atoms,  and a total of        576.000 electrons.

  Input geometry:
  | Unit cell:
  |        7.06714763        0.00000000        0.00000000
  |        0.00000000        9.90634565        0.00000000
  |        0.00000000        0.00000000        6.92224704
  | Atomic structure:
  |       Atom                x [A]            y [A]            z [A]
  |    1: Species Ba            6.68731071        2.47658641        3.54426573
  |    2: Species Ba            3.91341074        7.42975924        0.08314221
  |    3: Species Ba            0.37983692        7.42975924        3.37798131
  |    4: Species Ba            3.15373689        2.47658641        6.83910483
  |    5: Species S             0.03975179        2.47658641        0.45247593
  |    6: Species S             3.49382203        7.42975924       -3.00864759
  |    7: Species S             7.02739584        7.42975924        6.46977111
  |    8: Species S             3.57332560        2.47658641        3.00864759
  |    9: Species S             1.47032296        0.33988959        4.89801110
  |   10: Species S             2.06325085        9.56645606        1.43688758
  |   11: Species S             5.59682467        5.29306242        2.02423594
  |   12: Species S             5.00389678        4.61328323        5.48535946
  |   13: Species S             5.59682467        9.56645606        2.02423594
  |   14: Species S             5.00389678        0.33988959        5.48535946
  |   15: Species S             1.47032296        4.61328323        4.89801110
  |   16: Species S             2.06325085        5.29306242        1.43688758
  |   17: Species Zr            0.00000000        0.00000000        0.00000000
  |   18: Species Zr            3.53357382        0.00000000        3.46112352
  |   19: Species Zr            0.00000000        4.95317283        0.00000000
  |   20: Species Zr            3.53357382        4.95317283        3.46112352

  Lattice parameters for 3D lattice (in Angstroms) :     7.067148    9.906346    6.922247
  Angle(s) between unit vectors (in degrees)       :    90.000000   90.000000   90.000000


  Quantities derived from the lattice vectors (in Angstrom^-1):
  | Reciprocal lattice vector 1:  0.889069  0.000000  0.000000
  | Reciprocal lattice vector 2:  0.000000  0.634259  0.000000
  | Reciprocal lattice vector 3:  0.000000  0.000000  0.907680
  | Unit cell volume                               :   0.484624E+03  Angstrom^3

  Fractional coordinates:
                         L1                L2                L3
       atom_frac         0.94625315        0.25000000        0.51201087  Ba
       atom_frac         0.55374685        0.75000000        0.01201087  Ba
       atom_frac         0.05374685        0.75000000        0.48798913  Ba
       atom_frac         0.44625315        0.25000000        0.98798913  Ba
       atom_frac         0.00562487        0.25000000        0.06536547  S
       atom_frac         0.49437513        0.75000000       -0.43463453  S
       atom_frac         0.99437513        0.75000000        0.93463453  S
       atom_frac         0.50562487        0.25000000        0.43463453  S
       atom_frac         0.20805041        0.03431029        0.70757531  S
       atom_frac         0.29194959        0.96568971        0.20757531  S
       atom_frac         0.79194959        0.53431029        0.29242469  S
       atom_frac         0.70805041        0.46568971        0.79242469  S
       atom_frac         0.79194959        0.96568971        0.29242469  S
       atom_frac         0.70805041        0.03431029        0.79242469  S
       atom_frac         0.20805041        0.46568971        0.70757531  S
       atom_frac         0.29194959        0.53431029        0.20757531  S
       atom_frac         0.00000000        0.00000000        0.00000000  Zr
       atom_frac         0.50000000        0.00000000        0.50000000  Zr
       atom_frac         0.00000000        0.50000000        0.00000000  Zr
       atom_frac         0.50000000        0.50000000        0.50000000  Zr


  Finished reading input file 'control.in'.


------------------------------------------------------------
          Reading geometry description geometry.in.
------------------------------------------------------------

  Consistency checks for stacksize environment parameter are next.

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  Consistency checks for the contents of control.in are next.

  MPI_IN_PLACE appears to work with this MPI implementation.
  | Keeping use_mpi_in_place .true. (see manual).
  Target number of points in a grid batch is not set. Defaulting to  100
  Method for grid partitioning is not set. Defaulting to parallel hash+maxmin partitioning.
  Batch size limit is not set. Defaulting to    200
  By default, will store active basis functions for each batch.
  If in need of memory, prune_basis_once .false. can be used to disable this option.
  communication_type for Hartree potential was not specified.
  Defaulting to calc_hartree .
  Defaulting to Pulay charge density mixer.
  Pulay mixer: Number of relevant iterations not set.
  Defaulting to    8 iterations.
  Pulay mixer: Number of initial linear mixing iterations not set.
  Defaulting to    0 iterations.
  Work space size for distributed Hartree potential not set.
  Defaulting to   0.200000E+03 MB.
  Mixing parameter for charge density mixing has not been set.
  Using default: charge_mix_param =     0.0500.
  The mixing parameter will be adjusted in iteration number     2 of the first full s.c.f. cycle only.
  Algorithm-dependent basis array size parameters:
  | n_max_pulay                         :        8
  Maximum number of self-consistency iterations not provided.
  Presetting  1000 iterations.
  Presetting      1001 iterations before the initial mixing cycle
  is restarted anyway using the sc_init_iter criterion / keyword.
  Presetting a factor      1.000 between actual scf density residual
  and density convergence criterion sc_accuracy_rho below which sc_init_iter
  takes no effect.
  Calculation of forces was not defined in control.in. No forces will be calculated.
  Geometry relaxation not requested: no relaxation will be performed.
  No accuracy limit for integral partition fn. given. Defaulting to  0.1000E-14.
  No threshold value for u(r) in integrations given. Defaulting to  0.1000E-05.
  No occupation type (smearing scheme) given. Defaulting to Gaussian broadening, width =  0.1000E-01 eV.
  The width will be adjusted in iteration number     2 of the first full s.c.f. cycle only.
  S.C.F. convergence parameters will be adjusted in iteration number     2 of the first full s.c.f. cycle only.
  No accuracy for occupation numbers given. Defaulting to  0.1000E-12.
  No threshold value for occupation numbers given. Defaulting to  0.0000E+00.
  No accuracy for fermi level given. Defaulting to  0.1000E-19.
  Maximum # of iterations to find E_F not set. Defaulting to  200.
  Preferred method for the eigenvalue solver ('KS_method') not specified in 'control.in'.
  Calling BLACS routine to test compilation state
  Since ScaLAPACK support is enabled, defaulting to ELPA (via ELSI).
  Will use alltoall communication since running on >= 1024 CPUs.
  *** If you encounter memory problems, try setting this to .false.
  Threshold for basis singularities not set.
  Default threshold for basis singularities:  0.1000E-04
  partition_type (choice of integration weights) for integrals was not specified.
  | Using a version of the partition function of Stratmann and coworkers ('stratmann_sparse').
  | At each grid point, the set of atoms used to build the partition table is smoothly restricted to
  | only those atoms whose free-atom density would be non-zero at that grid point.
  Partitioning for Hartree potential was not defined. Using partition_type for integrals.
  | Adjusted default value of keyword multip_moments_threshold to:       0.10000000E-11
  | This value may affect high angular momentum components of the Hartree potential in periodic systems.
  Angular momentum expansion for Kerker preconditioner not set explicitly.
  | Using default value of   0
  No explicit requirement for turning off preconditioner.
  | By default, it will be turned off when the charge convergence reaches
  | sc_accuracy_rho  =   0.100000E-06
  No special mixing parameter while Kerker preconditioner is on.
  Using default: charge_mix_param =     0.0500.
  No q(lm)/r^(l+1) cutoff set for long-range Hartree potential.
  | Using default value of  0.100000E-09 .
  | Verify using the multipole_threshold keyword.
  Defaulting to new monopole extrapolation.
  Density update method: automatic selection selected.
  Using density matrix based charge density update.
  Using density matrix based charge density update.
  Using packed matrix style: index .
  Defaulting to use time-reversal symmetry for k-point grid.
  Charge integration errors on the 3D integration grid will be compensated
  by explicit normalization and distribution of residual charges.
  Use the "compensate_multipole_errors" flag to change this behaviour.

  Consistency checks for the contents of geometry.in are next.


  Range separation radius for Ewald summation (hartree_convergence_parameter):      4.16862803 bohr.
  Number of empty states per atom not set in control.in - providing a guess from actual geometry.
  | Total number of empty states used during s.c.f. cycle:       80
  If you use a very high smearing, use empty_states (per atom!) in control.in to increase this value.

  Structure-dependent array size parameters: 
  | Maximum number of distinct radial functions  :       44
  | Maximum number of basis functions            :      904
  | Number of Kohn-Sham states (occupied + empty):      368
------------------------------------------------------------

------------------------------------------------------------
          Preparing all fixed parts of the calculation.
------------------------------------------------------------
  Determining machine precision:
     2.2250738585072014E-308
  Setting up grids for atomic and cluster calculations.

  Creating wave function, potential, and density for free atoms.
  Runtime choices for atomic solver:
  | atomic solver xc        : PBE
  | compute density gradient: 1
  | compute kinetic density : F

  Species: Ba

  List of occupied orbitals and eigenvalues:
    n    l              occ      energy [Ha]    energy [eV]
    1    0           2.0000     -1428.759176    -38878.5153
    2    0           2.0000      -218.156321     -5936.3355
    3    0           2.0000       -45.759571     -1245.1813
    4    0           2.0000        -8.961354      -243.8508
    5    0           2.0000        -1.235311       -33.6145
    6    0           2.0000        -0.117372        -3.1939
    2    1           6.0000      -195.503522     -5319.9215
    3    1           6.0000       -38.566500     -1049.4479
    4    1           6.0000        -6.648037      -180.9023
    5    1           6.0000        -0.686503       -18.6807
    3    2          10.0000       -28.146810      -765.9137
    4    2          10.0000        -3.294406       -89.6453


  Species: Zr

  List of occupied orbitals and eigenvalues:
    n    l              occ      energy [Ha]    energy [eV]
    1    0           2.0000      -668.722933    -18196.8768
    2    0           2.0000       -91.076987     -2478.3309
    3    0           2.0000       -14.873383      -404.7254
    4    0           2.0000        -1.994212       -54.2653
    5    0           2.0000        -0.156460        -4.2575
    2    1           6.0000       -81.194469     -2209.4139
    3    1           6.0000       -11.667913      -317.5001
    4    1           6.0000        -1.184217       -32.2242
    3    2          10.0000        -6.414313      -174.5423
    4    2           2.0000        -0.125045        -3.4027


  Species: S

  List of occupied orbitals and eigenvalues:
    n    l              occ      energy [Ha]    energy [eV]
    1    0           2.0000       -88.680731     -2413.1255
    2    0           2.0000        -7.781719      -211.7513
    3    0           2.0000        -0.633662       -17.2428
    2    1           6.0000        -5.751976      -156.5192
    3    1           4.0000        -0.257086        -6.9957


  Adding cutoff potential to free-atom effective potential.
  Creating fixed part of basis set: Ionic, confined, hydrogenic.

  Ba                   ion:

  List of free ionic orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]
    1    0     -1428.980456    -38884.5366
    2    0      -218.370478     -5942.1630
    3    0       -45.972614     -1250.9785
    4    0        -9.173714      -249.6295
    5    0        -1.445296       -39.3285
    6    0        -0.278663        -7.5828
    2    1      -195.717553     -5325.7456
    3    1       -38.779502     -1055.2439
    4    1        -6.860306      -186.6784
    5    1        -0.894905       -24.3516
    3    2       -28.359770      -771.7086
    4    2        -3.506466       -95.4158


  List of ionic basis orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]    outer radius [A]
    5    2        -0.260030        -7.0758       7.007670
    4    3        -0.142743        -3.8842       7.093864


  Ba                   hydrogenic:

  List of hydrogenic basis orbitals: 
    n    l      effective z      eigenvalue [eV]  inner max. [A]     outer max. [A]     outer radius [A]   
    3    1         2.700000       -11.0183           0.585865           2.360755           7.358861
    4    0         3.300000        -9.1387           0.118110           3.896996           7.449375
    4    3         5.800000       -28.6057           1.465516           1.465516           5.905331
    5    4         7.400000       -29.8017           1.782126           1.782126           6.354768


  Zr                   ion:

  List of free ionic orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]
    1    0      -669.421026    -18215.8729
    2    0       -91.769634     -2497.1788
    3    0       -15.560469      -423.4219
    4    0        -2.663352       -72.4735
    5    0        -0.640863       -17.4388
    2    1       -81.886574     -2228.2470
    3    1       -12.354892      -336.1937
    4    1        -1.844122       -50.1811
    3    2        -7.101714      -193.2475
    4    2        -0.726930       -19.7808


  List of ionic basis orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]    outer radius [A]
    4    2        -0.726920       -19.7805       5.008334
    5    1        -0.469561       -12.7774       5.455794
    5    0        -0.640774       -17.4363       5.389503


  Zr                   hydrogenic:

  List of hydrogenic basis orbitals: 
    n    l      effective z      eigenvalue [eV]  inner max. [A]     outer max. [A]     outer radius [A]   
    4    3         7.200000       -44.0822           1.169212           1.169212           5.008334
    5    4        10.400000       -58.8635           1.273673           1.273673           4.887365


  S                    ion:

  List of free ionic orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]
    1    0       -89.703778     -2440.9640
    2    0        -8.775428      -238.7916
    3    0        -1.470343       -40.0101
    2    1        -6.747660      -183.6132
    3    1        -1.048627       -28.5346


  List of ionic basis orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]    outer radius [A]
    3    2        -0.495605       -13.4861       5.386362
    3    0        -1.470336       -40.0099       3.967934


  S                    hydrogenic:

  List of hydrogenic basis orbitals: 
    n    l      effective z      eigenvalue [eV]  inner max. [A]     outer max. [A]     outer radius [A]   
    2    1         1.800000       -11.0118           1.168531           1.168531           5.452614
    4    3         7.000000       -41.6672           1.212182           1.212182           5.066981
    4    2         6.200000       -32.6848           0.582121           1.814567           5.386362
    5    4        10.800000       -63.4785           1.227092           1.227092           4.766538

  Creating atomic-like basis functions for current effective potential.

  Species Ba                  :

  List of atomic basis orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]    outer radius [A]
    1    0     -1428.759176    -38878.5153       0.181180
    2    0      -218.156321     -5936.3355       0.481781
    3    0       -45.759571     -1245.1813       1.053516
    4    0        -8.961354      -243.8508       2.303735
    5    0        -1.235311       -33.6145       5.905331
    6    0        -0.117372        -3.1939       7.358861
    2    1      -195.503522     -5319.9215       0.493705
    3    1       -38.566500     -1049.4479       1.119920
    4    1        -6.648037      -180.9023       2.603304
    5    1        -0.686503       -18.6807       6.838410
    3    2       -28.146810      -765.9137       1.250174
    4    2        -3.294406       -89.6453       3.490975


  Species Zr                  :

  List of atomic basis orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]    outer radius [A]
    1    0      -668.722933    -18196.8768       0.259930
    2    0       -91.076987     -2478.3309       0.725827
    3    0       -14.873383      -404.7254       1.771771
    4    0        -1.994212       -54.2653       4.541709
    5    0        -0.156460        -4.2575       5.455794
    2    1       -81.194469     -2209.4139       0.743792
    3    1       -11.667913      -317.5001       1.930067
    4    1        -1.184217       -32.2242       5.008334
    3    2        -6.414313      -174.5423       2.434714
    4    2        -0.125045        -3.4027       5.389503


  Species S                   :

  List of atomic basis orbitals and eigenvalues:
    n    l      energy [Ha]    energy [eV]    outer radius [A]
    1    0       -88.680731     -2413.1255       0.682391
    2    0        -7.781719      -211.7513       2.289014
    3    0        -0.633662       -17.2428       5.256262
    2    1        -5.751976      -156.5192       2.555240
    3    1        -0.257086        -6.9957       5.386362

  Assembling full basis from fixed parts.
  | Species Ba :   atomic orbital   1 s accepted.
  | Species Ba :   atomic orbital   2 s accepted.
  | Species Ba :   atomic orbital   3 s accepted.
  | Species Ba :   atomic orbital   4 s accepted.
  | Species Ba :   atomic orbital   5 s accepted.
  | Species Ba :   atomic orbital   6 s accepted.
  | Species Ba :    hydro orbital   4 s accepted.
  | Species Ba :   atomic orbital   2 p accepted.
  | Species Ba :   atomic orbital   3 p accepted.
  | Species Ba :   atomic orbital   4 p accepted.
  | Species Ba :   atomic orbital   5 p accepted.
  | Species Ba :    hydro orbital   3 p accepted.
  | Species Ba :   atomic orbital   3 d accepted.
  | Species Ba :   atomic orbital   4 d accepted.
  | Species Ba :    ionic orbital   5 d accepted.
  | Species Ba :    hydro orbital   4 f accepted.
  | Species Ba :    ionic orbital   4 f accepted.
  | Species Ba :    hydro orbital   5 g accepted.
  | Species Zr :   atomic orbital   1 s accepted.
  | Species Zr :   atomic orbital   2 s accepted.
  | Species Zr :   atomic orbital   3 s accepted.
  | Species Zr :   atomic orbital   4 s accepted.
  | Species Zr :    ionic orbital   5 s accepted.
  | Species Zr :   atomic orbital   5 s accepted.
  | Species Zr :   atomic orbital   2 p accepted.
  | Species Zr :   atomic orbital   3 p accepted.
  | Species Zr :   atomic orbital   4 p accepted.
  | Species Zr :    ionic orbital   5 p accepted.
  | Species Zr :   atomic orbital   3 d accepted.
  | Species Zr :    ionic orbital   4 d accepted.
  | Species Zr :   atomic orbital   4 d accepted.
  | Species Zr :    hydro orbital   4 f accepted.
  | Species Zr :    hydro orbital   5 g accepted.
  | Species S :   atomic orbital   1 s accepted.
  | Species S :   atomic orbital   2 s accepted.
  | Species S :    ionic orbital   3 s accepted.
  | Species S :   atomic orbital   3 s accepted.
  | Species S :   atomic orbital   2 p accepted.
  | Species S :   atomic orbital   3 p accepted.
  | Species S :    hydro orbital   2 p accepted.
  | Species S :    ionic orbital   3 d accepted.
  | Species S :    hydro orbital   4 d accepted.
  | Species S :    hydro orbital   4 f accepted.
  | Species S :    hydro orbital   5 g accepted.

  Basis size parameters after reduction:
  | Total number of radial functions:       44
  | Total number of basis functions :      904

  Per-task memory consumption for arrays in subroutine allocate_ext:
  |          16.469956MB.
  Testing on-site integration grid accuracy.
  |  Species  Function  <phi|h_atom|phi> (log., in eV)  <phi|h_atom|phi> (rad., in eV)
           1        1             -38878.5152842456             -38878.5102682711
           1        2              -5936.3355416432              -5936.3354463181
           1        3              -1245.1812725370              -1245.1812651319
           1        4               -243.8508498583               -243.8508475766
           1        5                -33.6145129113                -33.6145123744
           1        6                 -3.1953474132                 -3.1940995993
           1        7                  1.7217240859                  1.7400532086
           1        8              -5319.9215180603              -5319.9215128547
           1        9              -1049.4478540965              -1049.4478516474
           1       10               -180.9022912879               -180.9022896989
           1       11                -18.6806852844                -18.6806849603
           1       12                 -0.6584997172                 -0.6579606663
           1       13               -765.9136710812               -765.9136703559
           1       14                -89.6453457527                -89.6453448903
           1       15                 -1.8801763382                 -1.8802515933
           1       16                  8.1569476582                  8.1569486797
           1       17                  8.6054070843                  8.6053383614
           1       18                 17.5600091881                 17.5599879188
           2       19             -18196.8768435665             -18196.8755705220
           2       20              -2478.3309144498              -2478.3308916069
           2       21               -404.7253557491               -404.7253534742
           2       22                -54.2652640714                -54.2652635286
           2       23                 -3.7119764275                 -3.7119846577
           2       24                  4.5875772639                  4.5868905659
           2       25              -2209.4139097225              -2209.4139071812
           2       26               -317.5000788444               -317.5000777556
           2       27                -32.2241784576                -32.2241781542
           2       28                 -0.3319152745                 -0.3319660629
           2       29               -174.5423275335               -174.5423272575
           2       30                 -3.0504029429                 -3.0504025329
           2       31                  4.9970437712                  4.9966978803
           2       32                 16.8632595236                 16.8632598612
           2       33                 37.0867992037                 37.0867988501
           3       34              -2413.1254568977              -2413.1254096663
           3       35               -211.7513411281               -211.7513404762
           3       36                -16.9725280787                -16.9725279206
           3       37                  7.6024436204                  7.6024549059
           3       38               -156.5192206929               -156.5192205451
           3       39                 -6.9959757887                 -6.9959777655
           3       40                  6.8896462808                  6.8895564741
           3       41                  6.0214250550                  6.0214220200
           3       42                 19.6206468977                 19.6206494558
           3       43                 24.7008710786                 24.7008710738
           3       44                 47.5292252001                 47.5292260486

  Preparing densities etc. for the partition functions (integrals / Hartree potential).

  Preparations completed.
  max(cpu_time)          :      0.737 s.
  Wall clock time (cpu1) :      0.801 s.
------------------------------------------------------------

  Initializing index lists of integration centers etc. from given atomic structure:
  Mapping all atomic coordinates to central unit cell.

  Initializing the k-points
  Using symmetry for reducing the k-points
  | k-points reduced from:     1152 to      580
  | Number of k-points                             :       580
  The eigenvectors in the calculations are COMPLEX.
  | Number of basis functions in the Hamiltonian integrals :      9207
  | Number of basis functions in a single unit cell        :       904
  | Number of centers in hartree potential         :      1683
  | Number of centers in hartree multipole         :      1053
  | Number of centers in electron density summation:       845
  | Number of centers in basis integrals           :       891
  | Number of centers in integrals                 :       333
  | Number of centers in hamiltonian               :      1311
  | Consuming       1178 KiB for k_phase.
  | Number of super-cells (origin) [n_cells]                     :         567
  | Number of super-cells (after PM_index) [n_cells]             :         130
  | Number of super-cells in hamiltonian [n_cells_in_hamiltonian]:         130
  | Size of matrix packed + index [n_hamiltonian_matrix_size] :     3686533

------------------------------------------------------------
          Begin self-consistency loop: Initialization.

          Date     :  20220720, Time     :  184336.853
------------------------------------------------------------
  | Estimated reciprocal-space cutoff momentum G_max:         2.32100731 bohr^-1 .
  | Reciprocal lattice points for long-range Hartree potential:     676
  Using simple linear distribution as default method for k-point parallelism.
  * Using 2048 tasks for Scalapack Eigenvalue solver.
  Detailed listing of tasks and assigned k-points:
   Task     0 k-point     1 on nid001729
   Task     1 k-point     1 on nid001729
   Task     2 k-point     1 on nid001729
   Task     3 k-point     1 on nid001729
   Task     4 k-point     2 on nid001729
   Task     5 k-point     2 on nid001729
   Task     6 k-point     2 on nid001729
   Task     7 k-point     2 on nid001729
   Task     8 k-point     3 on nid001729
   Task     9 k-point     3 on nid001729
   Task    10 k-point     3 on nid001729
   Task    11 k-point     4 on nid001729
   Task    12 k-point     4 on nid001729
   Task    13 k-point     4 on nid001729
   Task    14 k-point     4 on nid001729
   Task    15 k-point     5 on nid001729
   Task    16 k-point     5 on nid001729
   Task    17 k-point     5 on nid001729
   Task    18 k-point     6 on nid001729
   Task    19 k-point     6 on nid001729
   Task    20 k-point     6 on nid001729
   Task    21 k-point     6 on nid001729
   Task    22 k-point     7 on nid001729
   Task    23 k-point     7 on nid001729
   Task    24 k-point     7 on nid001729
   Task    25 k-point     8 on nid001729
   Task    26 k-point     8 on nid001729
   Task    27 k-point     8 on nid001729
   Task    28 k-point     8 on nid001729
   Task    29 k-point     9 on nid001729
   Task    30 k-point     9 on nid001729
   Task    31 k-point     9 on nid001729
   Task    32 k-point    10 on nid001729
   Task    33 k-point    10 on nid001729
   Task    34 k-point    10 on nid001729
   Task    35 k-point    10 on nid001729
   Task    36 k-point    11 on nid001729
   Task    37 k-point    11 on nid001729
   Task    38 k-point    11 on nid001729
   Task    39 k-point    12 on nid001729
   Task    40 k-point    12 on nid001729
   Task    41 k-point    12 on nid001729
   Task    42 k-point    12 on nid001729
   Task    43 k-point    13 on nid001729
   Task    44 k-point    13 on nid001729
   Task    45 k-point    13 on nid001729
   Task    46 k-point    14 on nid001729
   Task    47 k-point    14 on nid001729
   Task    48 k-point    14 on nid001729
   Task    49 k-point    14 on nid001729
   Task    50 k-point    15 on nid001729
   Task    51 k-point    15 on nid001729
   Task    52 k-point    15 on nid001729
   Task    53 k-point    16 on nid001729
   Task    54 k-point    16 on nid001729
   Task    55 k-point    16 on nid001729
   Task    56 k-point    16 on nid001729
   Task    57 k-point    17 on nid001729
   Task    58 k-point    17 on nid001729
   Task    59 k-point    17 on nid001729
   Task    60 k-point    17 on nid001729
   Task    61 k-point    18 on nid001729
   Task    62 k-point    18 on nid001729
   Task    63 k-point    18 on nid001729
   Task    64 k-point    19 on nid001729
   Task    65 k-point    19 on nid001729
   Task    66 k-point    19 on nid001729
   Task    67 k-point    19 on nid001729
   Task    68 k-point    20 on nid001729
   Task    69 k-point    20 on nid001729
   Task    70 k-point    20 on nid001729
   Task    71 k-point    21 on nid001729
   Task    72 k-point    21 on nid001729
   Task    73 k-point    21 on nid001729
   Task    74 k-point    21 on nid001729
   Task    75 k-point    22 on nid001729
   Task    76 k-point    22 on nid001729
   Task    77 k-point    22 on nid001729
   Task    78 k-point    23 on nid001729
   Task    79 k-point    23 on nid001729
   Task    80 k-point    23 on nid001729
   Task    81 k-point    23 on nid001729
   Task    82 k-point    24 on nid001729
   Task    83 k-point    24 on nid001729
   Task    84 k-point    24 on nid001729
   Task    85 k-point    25 on nid001729
   Task    86 k-point    25 on nid001729
   Task    87 k-point    25 on nid001729
   Task    88 k-point    25 on nid001729
   Task    89 k-point    26 on nid001729
   Task    90 k-point    26 on nid001729
   Task    91 k-point    26 on nid001729
   Task    92 k-point    27 on nid001729
   Task    93 k-point    27 on nid001729
   Task    94 k-point    27 on nid001729
   Task    95 k-point    27 on nid001729
   Task    96 k-point    28 on nid001729
   Task    97 k-point    28 on nid001729
   Task    98 k-point    28 on nid001729
   Task    99 k-point    29 on nid001729
   Task   100 k-point    29 on nid001729
   Task   101 k-point    29 on nid001729
   Task   102 k-point    29 on nid001729
   Task   103 k-point    30 on nid001729
   Task   104 k-point    30 on nid001729
   Task   105 k-point    30 on nid001729
   Task   106 k-point    31 on nid001729
   Task   107 k-point    31 on nid001729
   Task   108 k-point    31 on nid001729
   Task   109 k-point    31 on nid001729
   Task   110 k-point    32 on nid001729
   Task   111 k-point    32 on nid001729
   Task   112 k-point    32 on nid001729
   Task   113 k-point    33 on nid001729
   Task   114 k-point    33 on nid001729
   Task   115 k-point    33 on nid001729
   Task   116 k-point    33 on nid001729
   Task   117 k-point    34 on nid001729
   Task   118 k-point    34 on nid001729
   Task   119 k-point    34 on nid001729
   Task   120 k-point    34 on nid001729
   Task   121 k-point    35 on nid001729
   Task   122 k-point    35 on nid001729
   Task   123 k-point    35 on nid001729
   Task   124 k-point    36 on nid001729
   Task   125 k-point    36 on nid001729
   Task   126 k-point    36 on nid001729
   Task   127 k-point    36 on nid001729
   Task   128 k-point    37 on nid003560
   Task   129 k-point    37 on nid003560
   Task   130 k-point    37 on nid003560
   Task   131 k-point    38 on nid003560
   Task   132 k-point    38 on nid003560
   Task   133 k-point    38 on nid003560
   Task   134 k-point    38 on nid003560
   Task   135 k-point    39 on nid003560
   Task   136 k-point    39 on nid003560
   Task   137 k-point    39 on nid003560
   Task   138 k-point    40 on nid003560
   Task   139 k-point    40 on nid003560
   Task   140 k-point    40 on nid003560
   Task   141 k-point    40 on nid003560
   Task   142 k-point    41 on nid003560
   Task   143 k-point    41 on nid003560
   Task   144 k-point    41 on nid003560
   Task   145 k-point    42 on nid003560
   Task   146 k-point    42 on nid003560
   Task   147 k-point    42 on nid003560
   Task   148 k-point    42 on nid003560
   Task   149 k-point    43 on nid003560
   Task   150 k-point    43 on nid003560
   Task   151 k-point    43 on nid003560
   Task   152 k-point    44 on nid003560
   Task   153 k-point    44 on nid003560
   Task   154 k-point    44 on nid003560
   Task   155 k-point    44 on nid003560
   Task   156 k-point    45 on nid003560
   Task   157 k-point    45 on nid003560
   Task   158 k-point    45 on nid003560
   Task   159 k-point    46 on nid003560
   Task   160 k-point    46 on nid003560
   Task   161 k-point    46 on nid003560
   Task   162 k-point    46 on nid003560
   Task   163 k-point    47 on nid003560
   Task   164 k-point    47 on nid003560
   Task   165 k-point    47 on nid003560
   Task   166 k-point    48 on nid003560
   Task   167 k-point    48 on nid003560
   Task   168 k-point    48 on nid003560
   Task   169 k-point    48 on nid003560
   Task   170 k-point    49 on nid003560
   Task   171 k-point    49 on nid003560
   Task   172 k-point    49 on nid003560
   Task   173 k-point    49 on nid003560
   Task   174 k-point    50 on nid003560
   Task   175 k-point    50 on nid003560
   Task   176 k-point    50 on nid003560
   Task   177 k-point    51 on nid003560
   Task   178 k-point    51 on nid003560
   Task   179 k-point    51 on nid003560
   Task   180 k-point    51 on nid003560
   Task   181 k-point    52 on nid003560
   Task   182 k-point    52 on nid003560
   Task   183 k-point    52 on nid003560
   Task   184 k-point    53 on nid003560
   Task   185 k-point    53 on nid003560
   Task   186 k-point    53 on nid003560
   Task   187 k-point    53 on nid003560
   Task   188 k-point    54 on nid003560
   Task   189 k-point    54 on nid003560
   Task   190 k-point    54 on nid003560
   Task   191 k-point    55 on nid003560
   Task   192 k-point    55 on nid003560
   Task   193 k-point    55 on nid003560
   Task   194 k-point    55 on nid003560
   Task   195 k-point    56 on nid003560
   Task   196 k-point    56 on nid003560
   Task   197 k-point    56 on nid003560
   Task   198 k-point    57 on nid003560
   Task   199 k-point    57 on nid003560
   Task   200 k-point    57 on nid003560
   Task   201 k-point    57 on nid003560
   Task   202 k-point    58 on nid003560
   Task   203 k-point    58 on nid003560
   Task   204 k-point    58 on nid003560
   Task   205 k-point    59 on nid003560
   Task   206 k-point    59 on nid003560
   Task   207 k-point    59 on nid003560
   Task   208 k-point    59 on nid003560
   Task   209 k-point    60 on nid003560
   Task   210 k-point    60 on nid003560
   Task   211 k-point    60 on nid003560
   Task   212 k-point    61 on nid003560
   Task   213 k-point    61 on nid003560
   Task   214 k-point    61 on nid003560
   Task   215 k-point    61 on nid003560
   Task   216 k-point    62 on nid003560
   Task   217 k-point    62 on nid003560
   Task   218 k-point    62 on nid003560
   Task   219 k-point    63 on nid003560
   Task   220 k-point    63 on nid003560
   Task   221 k-point    63 on nid003560
   Task   222 k-point    63 on nid003560
   Task   223 k-point    64 on nid003560
   Task   224 k-point    64 on nid003560
   Task   225 k-point    64 on nid003560
   Task   226 k-point    65 on nid003560
   Task   227 k-point    65 on nid003560
   Task   228 k-point    65 on nid003560
   Task   229 k-point    65 on nid003560
   Task   230 k-point    66 on nid003560
   Task   231 k-point    66 on nid003560
   Task   232 k-point    66 on nid003560
   Task   233 k-point    66 on nid003560
   Task   234 k-point    67 on nid003560
   Task   235 k-point    67 on nid003560
   Task   236 k-point    67 on nid003560
   Task   237 k-point    68 on nid003560
   Task   238 k-point    68 on nid003560
   Task   239 k-point    68 on nid003560
   Task   240 k-point    68 on nid003560
   Task   241 k-point    69 on nid003560
   Task   242 k-point    69 on nid003560
   Task   243 k-point    69 on nid003560
   Task   244 k-point    70 on nid003560
   Task   245 k-point    70 on nid003560
   Task   246 k-point    70 on nid003560
   Task   247 k-point    70 on nid003560
   Task   248 k-point    71 on nid003560
   Task   249 k-point    71 on nid003560
   Task   250 k-point    71 on nid003560
   Task   251 k-point    72 on nid003560
   Task   252 k-point    72 on nid003560
   Task   253 k-point    72 on nid003560
   Task   254 k-point    72 on nid003560
   Task   255 k-point    73 on nid003560
   Task   256 k-point    73 on nid003585
   Task   257 k-point    73 on nid003585
   Task   258 k-point    74 on nid003585
   Task   259 k-point    74 on nid003585
   Task   260 k-point    74 on nid003585
   Task   261 k-point    74 on nid003585
   Task   262 k-point    75 on nid003585
   Task   263 k-point    75 on nid003585
   Task   264 k-point    75 on nid003585
   Task   265 k-point    76 on nid003585
   Task   266 k-point    76 on nid003585
   Task   267 k-point    76 on nid003585
   Task   268 k-point    76 on nid003585
   Task   269 k-point    77 on nid003585
   Task   270 k-point    77 on nid003585
   Task   271 k-point    77 on nid003585
   Task   272 k-point    78 on nid003585
   Task   273 k-point    78 on nid003585
   Task   274 k-point    78 on nid003585
   Task   275 k-point    78 on nid003585
   Task   276 k-point    79 on nid003585
   Task   277 k-point    79 on nid003585
   Task   278 k-point    79 on nid003585
   Task   279 k-point    80 on nid003585
   Task   280 k-point    80 on nid003585
   Task   281 k-point    80 on nid003585
   Task   282 k-point    80 on nid003585
   Task   283 k-point    81 on nid003585
   Task   284 k-point    81 on nid003585
   Task   285 k-point    81 on nid003585
   Task   286 k-point    81 on nid003585
   Task   287 k-point    82 on nid003585
   Task   288 k-point    82 on nid003585
   Task   289 k-point    82 on nid003585
   Task   290 k-point    83 on nid003585
   Task   291 k-point    83 on nid003585
   Task   292 k-point    83 on nid003585
   Task   293 k-point    83 on nid003585
   Task   294 k-point    84 on nid003585
   Task   295 k-point    84 on nid003585
   Task   296 k-point    84 on nid003585
   Task   297 k-point    85 on nid003585
   Task   298 k-point    85 on nid003585
   Task   299 k-point    85 on nid003585
   Task   300 k-point    85 on nid003585
   Task   301 k-point    86 on nid003585
   Task   302 k-point    86 on nid003585
   Task   303 k-point    86 on nid003585
   Task   304 k-point    87 on nid003585
   Task   305 k-point    87 on nid003585
   Task   306 k-point    87 on nid003585
   Task   307 k-point    87 on nid003585
   Task   308 k-point    88 on nid003585
   Task   309 k-point    88 on nid003585
   Task   310 k-point    88 on nid003585
   Task   311 k-point    89 on nid003585
   Task   312 k-point    89 on nid003585
   Task   313 k-point    89 on nid003585
   Task   314 k-point    89 on nid003585
   Task   315 k-point    90 on nid003585
   Task   316 k-point    90 on nid003585
   Task   317 k-point    90 on nid003585
   Task   318 k-point    91 on nid003585
   Task   319 k-point    91 on nid003585
   Task   320 k-point    91 on nid003585
   Task   321 k-point    91 on nid003585
   Task   322 k-point    92 on nid003585
   Task   323 k-point    92 on nid003585
   Task   324 k-point    92 on nid003585
   Task   325 k-point    93 on nid003585
   Task   326 k-point    93 on nid003585
   Task   327 k-point    93 on nid003585
   Task   328 k-point    93 on nid003585
   Task   329 k-point    94 on nid003585
   Task   330 k-point    94 on nid003585
   Task   331 k-point    94 on nid003585
   Task   332 k-point    95 on nid003585
   Task   333 k-point    95 on nid003585
   Task   334 k-point    95 on nid003585
   Task   335 k-point    95 on nid003585
   Task   336 k-point    96 on nid003585
   Task   337 k-point    96 on nid003585
   Task   338 k-point    96 on nid003585
   Task   339 k-point    97 on nid003585
   Task   340 k-point    97 on nid003585
   Task   341 k-point    97 on nid003585
   Task   342 k-point    97 on nid003585
   Task   343 k-point    98 on nid003585
   Task   344 k-point    98 on nid003585
   Task   345 k-point    98 on nid003585
   Task   346 k-point    98 on nid003585
   Task   347 k-point    99 on nid003585
   Task   348 k-point    99 on nid003585
   Task   349 k-point    99 on nid003585
   Task   350 k-point   100 on nid003585
   Task   351 k-point   100 on nid003585
   Task   352 k-point   100 on nid003585
   Task   353 k-point   100 on nid003585
   Task   354 k-point   101 on nid003585
   Task   355 k-point   101 on nid003585
   Task   356 k-point   101 on nid003585
   Task   357 k-point   102 on nid003585
   Task   358 k-point   102 on nid003585
   Task   359 k-point   102 on nid003585
   Task   360 k-point   102 on nid003585
   Task   361 k-point   103 on nid003585
   Task   362 k-point   103 on nid003585
   Task   363 k-point   103 on nid003585
   Task   364 k-point   104 on nid003585
   Task   365 k-point   104 on nid003585
   Task   366 k-point   104 on nid003585
   Task   367 k-point   104 on nid003585
   Task   368 k-point   105 on nid003585
   Task   369 k-point   105 on nid003585
   Task   370 k-point   105 on nid003585
   Task   371 k-point   106 on nid003585
   Task   372 k-point   106 on nid003585
   Task   373 k-point   106 on nid003585
   Task   374 k-point   106 on nid003585
   Task   375 k-point   107 on nid003585
   Task   376 k-point   107 on nid003585
   Task   377 k-point   107 on nid003585
   Task   378 k-point   108 on nid003585
   Task   379 k-point   108 on nid003585
   Task   380 k-point   108 on nid003585
   Task   381 k-point   108 on nid003585
   Task   382 k-point   109 on nid003585
   Task   383 k-point   109 on nid003585
   Task   384 k-point   109 on nid003587
   Task   385 k-point   110 on nid003587
   Task   386 k-point   110 on nid003587
   Task   387 k-point   110 on nid003587
   Task   388 k-point   110 on nid003587
   Task   389 k-point   111 on nid003587
   Task   390 k-point   111 on nid003587
   Task   391 k-point   111 on nid003587
   Task   392 k-point   112 on nid003587
   Task   393 k-point   112 on nid003587
   Task   394 k-point   112 on nid003587
   Task   395 k-point   112 on nid003587
   Task   396 k-point   113 on nid003587
   Task   397 k-point   113 on nid003587
   Task   398 k-point   113 on nid003587
   Task   399 k-point   113 on nid003587
   Task   400 k-point   114 on nid003587
   Task   401 k-point   114 on nid003587
   Task   402 k-point   114 on nid003587
   Task   403 k-point   115 on nid003587
   Task   404 k-point   115 on nid003587
   Task   405 k-point   115 on nid003587
   Task   406 k-point   115 on nid003587
   Task   407 k-point   116 on nid003587
   Task   408 k-point   116 on nid003587
   Task   409 k-point   116 on nid003587
   Task   410 k-point   117 on nid003587
   Task   411 k-point   117 on nid003587
   Task   412 k-point   117 on nid003587
   Task   413 k-point   117 on nid003587
   Task   414 k-point   118 on nid003587
   Task   415 k-point   118 on nid003587
   Task   416 k-point   118 on nid003587
   Task   417 k-point   119 on nid003587
   Task   418 k-point   119 on nid003587
   Task   419 k-point   119 on nid003587
   Task   420 k-point   119 on nid003587
   Task   421 k-point   120 on nid003587
   Task   422 k-point   120 on nid003587
   Task   423 k-point   120 on nid003587
   Task   424 k-point   121 on nid003587
   Task   425 k-point   121 on nid003587
   Task   426 k-point   121 on nid003587
   Task   427 k-point   121 on nid003587
   Task   428 k-point   122 on nid003587
   Task   429 k-point   122 on nid003587
   Task   430 k-point   122 on nid003587
   Task   431 k-point   123 on nid003587
   Task   432 k-point   123 on nid003587
   Task   433 k-point   123 on nid003587
   Task   434 k-point   123 on nid003587
   Task   435 k-point   124 on nid003587
   Task   436 k-point   124 on nid003587
   Task   437 k-point   124 on nid003587
   Task   438 k-point   125 on nid003587
   Task   439 k-point   125 on nid003587
   Task   440 k-point   125 on nid003587
   Task   441 k-point   125 on nid003587
   Task   442 k-point   126 on nid003587
   Task   443 k-point   126 on nid003587
   Task   444 k-point   126 on nid003587
   Task   445 k-point   127 on nid003587
   Task   446 k-point   127 on nid003587
   Task   447 k-point   127 on nid003587
   Task   448 k-point   127 on nid003587
   Task   449 k-point   128 on nid003587
   Task   450 k-point   128 on nid003587
   Task   451 k-point   128 on nid003587
   Task   452 k-point   129 on nid003587
   Task   453 k-point   129 on nid003587
   Task   454 k-point   129 on nid003587
   Task   455 k-point   129 on nid003587
   Task   456 k-point   130 on nid003587
   Task   457 k-point   130 on nid003587
   Task   458 k-point   130 on nid003587
   Task   459 k-point   130 on nid003587
   Task   460 k-point   131 on nid003587
   Task   461 k-point   131 on nid003587
   Task   462 k-point   131 on nid003587
   Task   463 k-point   132 on nid003587
   Task   464 k-point   132 on nid003587
   Task   465 k-point   132 on nid003587
   Task   466 k-point   132 on nid003587
   Task   467 k-point   133 on nid003587
   Task   468 k-point   133 on nid003587
   Task   469 k-point   133 on nid003587
   Task   470 k-point   134 on nid003587
   Task   471 k-point   134 on nid003587
   Task   472 k-point   134 on nid003587
   Task   473 k-point   134 on nid003587
   Task   474 k-point   135 on nid003587
   Task   475 k-point   135 on nid003587
   Task   476 k-point   135 on nid003587
   Task   477 k-point   136 on nid003587
   Task   478 k-point   136 on nid003587
   Task   479 k-point   136 on nid003587
   Task   480 k-point   136 on nid003587
   Task   481 k-point   137 on nid003587
   Task   482 k-point   137 on nid003587
   Task   483 k-point   137 on nid003587
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   Task  1940 k-point   550 on nid005095
   Task  1941 k-point   550 on nid005095
   Task  1942 k-point   550 on nid005095
   Task  1943 k-point   551 on nid005095
   Task  1944 k-point   551 on nid005095
   Task  1945 k-point   551 on nid005095
   Task  1946 k-point   552 on nid005095
   Task  1947 k-point   552 on nid005095
   Task  1948 k-point   552 on nid005095
   Task  1949 k-point   552 on nid005095
   Task  1950 k-point   553 on nid005095
   Task  1951 k-point   553 on nid005095
   Task  1952 k-point   553 on nid005095
   Task  1953 k-point   554 on nid005095
   Task  1954 k-point   554 on nid005095
   Task  1955 k-point   554 on nid005095
   Task  1956 k-point   554 on nid005095
   Task  1957 k-point   555 on nid005095
   Task  1958 k-point   555 on nid005095
   Task  1959 k-point   555 on nid005095
   Task  1960 k-point   556 on nid005095
   Task  1961 k-point   556 on nid005095
   Task  1962 k-point   556 on nid005095
   Task  1963 k-point   556 on nid005095
   Task  1964 k-point   557 on nid005095
   Task  1965 k-point   557 on nid005095
   Task  1966 k-point   557 on nid005095
   Task  1967 k-point   558 on nid005095
   Task  1968 k-point   558 on nid005095
   Task  1969 k-point   558 on nid005095
   Task  1970 k-point   558 on nid005095
   Task  1971 k-point   559 on nid005095
   Task  1972 k-point   559 on nid005095
   Task  1973 k-point   559 on nid005095
   Task  1974 k-point   560 on nid005095
   Task  1975 k-point   560 on nid005095
   Task  1976 k-point   560 on nid005095
   Task  1977 k-point   560 on nid005095
   Task  1978 k-point   561 on nid005095
   Task  1979 k-point   561 on nid005095
   Task  1980 k-point   561 on nid005095
   Task  1981 k-point   562 on nid005095
   Task  1982 k-point   562 on nid005095
   Task  1983 k-point   562 on nid005095
   Task  1984 k-point   562 on nid005095
   Task  1985 k-point   563 on nid005095
   Task  1986 k-point   563 on nid005095
   Task  1987 k-point   563 on nid005095
   Task  1988 k-point   564 on nid005095
   Task  1989 k-point   564 on nid005095
   Task  1990 k-point   564 on nid005095
   Task  1991 k-point   564 on nid005095
   Task  1992 k-point   565 on nid005095
   Task  1993 k-point   565 on nid005095
   Task  1994 k-point   565 on nid005095
   Task  1995 k-point   565 on nid005095
   Task  1996 k-point   566 on nid005095
   Task  1997 k-point   566 on nid005095
   Task  1998 k-point   566 on nid005095
   Task  1999 k-point   567 on nid005095
   Task  2000 k-point   567 on nid005095
   Task  2001 k-point   567 on nid005095
   Task  2002 k-point   567 on nid005095
   Task  2003 k-point   568 on nid005095
   Task  2004 k-point   568 on nid005095
   Task  2005 k-point   568 on nid005095
   Task  2006 k-point   569 on nid005095
   Task  2007 k-point   569 on nid005095
   Task  2008 k-point   569 on nid005095
   Task  2009 k-point   569 on nid005095
   Task  2010 k-point   570 on nid005095
   Task  2011 k-point   570 on nid005095
   Task  2012 k-point   570 on nid005095
   Task  2013 k-point   571 on nid005095
   Task  2014 k-point   571 on nid005095
   Task  2015 k-point   571 on nid005095
   Task  2016 k-point   571 on nid005095
   Task  2017 k-point   572 on nid005095
   Task  2018 k-point   572 on nid005095
   Task  2019 k-point   572 on nid005095
   Task  2020 k-point   573 on nid005095
   Task  2021 k-point   573 on nid005095
   Task  2022 k-point   573 on nid005095
   Task  2023 k-point   573 on nid005095
   Task  2024 k-point   574 on nid005095
   Task  2025 k-point   574 on nid005095
   Task  2026 k-point   574 on nid005095
   Task  2027 k-point   575 on nid005095
   Task  2028 k-point   575 on nid005095
   Task  2029 k-point   575 on nid005095
   Task  2030 k-point   575 on nid005095
   Task  2031 k-point   576 on nid005095
   Task  2032 k-point   576 on nid005095
   Task  2033 k-point   576 on nid005095
   Task  2034 k-point   577 on nid005095
   Task  2035 k-point   577 on nid005095
   Task  2036 k-point   577 on nid005095
   Task  2037 k-point   577 on nid005095
   Task  2038 k-point   578 on nid005095
   Task  2039 k-point   578 on nid005095
   Task  2040 k-point   578 on nid005095
   Task  2041 k-point   579 on nid005095
   Task  2042 k-point   579 on nid005095
   Task  2043 k-point   579 on nid005095
   Task  2044 k-point   579 on nid005095
   Task  2045 k-point   580 on nid005095
   Task  2046 k-point   580 on nid005095
   Task  2047 k-point   580 on nid005095
  K-point:     1 Tasks:     4 split into      2 X      2 BLACS grid
  Calculating block size based on n_basis =          904  max_nprow =            3  max_npcol =            2
  ScaLAPACK block size set to:           16
  Allocating        3.173 MB for ovlp_complex
  Allocating        3.173 MB for ham_complex
  Allocating        3.173 MB for eigenvec_complex
  Required Scalapack workspace - INTEGER:            1  REAL:             1  COMPLEX:            1
  Partitioning the integration grid into batches with parallel hashing+maxmin method.
  | Number of batches:     6361
  | Maximal batch size:     125
  | Minimal batch size:      50
  | Average batch size:      79.601
  | Standard deviation of batch sizes:      17.037

  Integration load balanced across  2048 MPI tasks.
  Work distribution over tasks is as follows:
  Task     0 has        238 integration points.
  Task     1 has        236 integration points.
  Task     2 has        213 integration points.
  Task     3 has        306 integration points.
  Task     4 has        281 integration points.
  Task     5 has        219 integration points.
  Task     6 has        227 integration points.
  Task     7 has        310 integration points.
  Task     8 has        255 integration points.
  Task     9 has        237 integration points.
  Task    10 has        234 integration points.
  Task    11 has        265 integration points.
  Task    12 has        254 integration points.
  Task    13 has        268 integration points.
  Task    14 has        284 integration points.
  Task    15 has        232 integration points.
  Task    16 has        248 integration points.
  Task    17 has        266 integration points.
  Task    18 has        271 integration points.
  Task    19 has        241 integration points.
  Task    20 has        245 integration points.
  Task    21 has        235 integration points.
  Task    22 has        231 integration points.
  Task    23 has        233 integration points.
  Task    24 has        261 integration points.
  Task    25 has        222 integration points.
  Task    26 has        261 integration points.
  Task    27 has        257 integration points.
  Task    28 has        226 integration points.
  Task    29 has        276 integration points.
  Task    30 has        247 integration points.
  Task    31 has        212 integration points.
  Task    32 has        278 integration points.
  Task    33 has        269 integration points.
  Task    34 has        251 integration points.
  Task    35 has        263 integration points.
  Task    36 has        236 integration points.
  Task    37 has        238 integration points.
  Task    38 has        218 integration points.
  Task    39 has        238 integration points.
  Task    40 has        212 integration points.
  Task    41 has        244 integration points.
  Task    42 has        313 integration points.
  Task    43 has        240 integration points.
  Task    44 has        230 integration points.
  Task    45 has        235 integration points.
  Task    46 has        216 integration points.
  Task    47 has        238 integration points.
  Task    48 has        257 integration points.
  Task    49 has        238 integration points.
  Task    50 has        218 integration points.
  Task    51 has        218 integration points.
  Task    52 has        290 integration points.
  Task    53 has        212 integration points.
  Task    54 has        249 integration points.
  Task    55 has        241 integration points.
  Task    56 has        225 integration points.
  Task    57 has        256 integration points.
  Task    58 has        247 integration points.
  Task    59 has        320 integration points.
  Task    60 has        264 integration points.
  Task    61 has        228 integration points.
  Task    62 has        241 integration points.
  Task    63 has        257 integration points.
  Task    64 has        276 integration points.
  Task    65 has        237 integration points.
  Task    66 has        216 integration points.
  Task    67 has        244 integration points.
  Task    68 has        241 integration points.
  Task    69 has        271 integration points.
  Task    70 has        227 integration points.
  Task    71 has        255 integration points.
  Task    72 has        213 integration points.
  Task    73 has        231 integration points.
  Task    74 has        242 integration points.
  Task    75 has        244 integration points.
  Task    76 has        249 integration points.
  Task    77 has        217 integration points.
  Task    78 has        264 integration points.
  Task    79 has        271 integration points.
  Task    80 has        213 integration points.
  Task    81 has        274 integration points.
  Task    82 has        210 integration points.
  Task    83 has        252 integration points.
  Task    84 has        267 integration points.
  Task    85 has        234 integration points.
  Task    86 has        283 integration points.
  Task    87 has        243 integration points.
  Task    88 has        272 integration points.
  Task    89 has        234 integration points.
  Task    90 has        208 integration points.
  Task    91 has        219 integration points.
  Task    92 has        231 integration points.
  Task    93 has        275 integration points.
  Task    94 has        306 integration points.
  Task    95 has        211 integration points.
  Task    96 has        212 integration points.
  Task    97 has        240 integration points.
  Task    98 has        236 integration points.
  Task    99 has        259 integration points.
  Task   100 has        215 integration points.
  Task   101 has        267 integration points.
  Task   102 has        280 integration points.
  Task   103 has        208 integration points.
  Task   104 has        240 integration points.
  Task   105 has        280 integration points.
  Task   106 has        230 integration points.
  Task   107 has        232 integration points.
  Task   108 has        230 integration points.
  Task   109 has        253 integration points.
  Task   110 has        287 integration points.
  Task   111 has        262 integration points.
  Task   112 has        214 integration points.
  Task   113 has        286 integration points.
  Task   114 has        317 integration points.
  Task   115 has        217 integration points.
  Task   116 has        299 integration points.
  Task   117 has        246 integration points.
  Task   118 has        257 integration points.
  Task   119 has        232 integration points.
  Task   120 has        214 integration points.
  Task   121 has        270 integration points.
  Task   122 has        236 integration points.
  Task   123 has        253 integration points.
  Task   124 has        290 integration points.
  Task   125 has        272 integration points.
  Task   126 has        250 integration points.
  Task   127 has        237 integration points.
  Task   128 has        208 integration points.
  Task   129 has        263 integration points.
  Task   130 has        300 integration points.
  Task   131 has        250 integration points.
  Task   132 has        221 integration points.
  Task   133 has        284 integration points.
  Task   134 has        278 integration points.
  Task   135 has        218 integration points.
  Task   136 has        264 integration points.
  Task   137 has        219 integration points.
  Task   138 has        240 integration points.
  Task   139 has        216 integration points.
  Task   140 has        277 integration points.
  Task   141 has        268 integration points.
  Task   142 has        225 integration points.
  Task   143 has        219 integration points.
  Task   144 has        302 integration points.
  Task   145 has        215 integration points.
  Task   146 has        216 integration points.
  Task   147 has        228 integration points.
  Task   148 has        270 integration points.
  Task   149 has        236 integration points.
  Task   150 has        250 integration points.
  Task   151 has        217 integration points.
  Task   152 has        238 integration points.
  Task   153 has        231 integration points.
  Task   154 has        230 integration points.
  Task   155 has        258 integration points.
  Task   156 has        241 integration points.
  Task   157 has        275 integration points.
  Task   158 has        236 integration points.
  Task   159 has        210 integration points.
  Task   160 has        275 integration points.
  Task   161 has        232 integration points.
  Task   162 has        288 integration points.
  Task   163 has        290 integration points.
  Task   164 has        208 integration points.
  Task   165 has        279 integration points.
  Task   166 has        257 integration points.
  Task   167 has        286 integration points.
  Task   168 has        270 integration points.
  Task   169 has        235 integration points.
  Task   170 has        242 integration points.
  Task   171 has        212 integration points.
  Task   172 has        246 integration points.
  Task   173 has        245 integration points.
  Task   174 has        258 integration points.
  Task   175 has        220 integration points.
  Task   176 has        309 integration points.
  Task   177 has        218 integration points.
  Task   178 has        212 integration points.
  Task   179 has        262 integration points.
  Task   180 has        266 integration points.
  Task   181 has        292 integration points.
  Task   182 has        234 integration points.
  Task   183 has        249 integration points.
  Task   184 has        232 integration points.
  Task   185 has        221 integration points.
  Task   186 has        245 integration points.
  Task   187 has        282 integration points.
  Task   188 has        231 integration points.
  Task   189 has        319 integration points.
  Task   190 has        211 integration points.
  Task   191 has        215 integration points.
  Task   192 has        262 integration points.
  Task   193 has        256 integration points.
  Task   194 has        275 integration points.
  Task   195 has        297 integration points.
  Task   196 has        241 integration points.
  Task   197 has        269 integration points.
  Task   198 has        219 integration points.
  Task   199 has        272 integration points.
  Task   200 has        257 integration points.
  Task   201 has        239 integration points.
  Task   202 has        318 integration points.
  Task   203 has        250 integration points.
  Task   204 has        216 integration points.
  Task   205 has        238 integration points.
  Task   206 has        223 integration points.
  Task   207 has        248 integration points.
  Task   208 has        265 integration points.
  Task   209 has        215 integration points.
  Task   210 has        258 integration points.
  Task   211 has        272 integration points.
  Task   212 has        264 integration points.
  Task   213 has        286 integration points.
  Task   214 has        295 integration points.
  Task   215 has        214 integration points.
  Task   216 has        235 integration points.
  Task   217 has        210 integration points.
  Task   218 has        211 integration points.
  Task   219 has        247 integration points.
  Task   220 has        281 integration points.
  Task   221 has        233 integration points.
  Task   222 has        288 integration points.
  Task   223 has        218 integration points.
  Task   224 has        234 integration points.
  Task   225 has        227 integration points.
  Task   226 has        280 integration points.
  Task   227 has        257 integration points.
  Task   228 has        296 integration points.
  Task   229 has        244 integration points.
  Task   230 has        215 integration points.
  Task   231 has        210 integration points.
  Task   232 has        230 integration points.
  Task   233 has        289 integration points.
  Task   234 has        228 integration points.
  Task   235 has        240 integration points.
  Task   236 has        278 integration points.
  Task   237 has        253 integration points.
  Task   238 has        306 integration points.
  Task   239 has        211 integration points.
  Task   240 has        217 integration points.
  Task   241 has        304 integration points.
  Task   242 has        260 integration points.
  Task   243 has        245 integration points.
  Task   244 has        299 integration points.
  Task   245 has        248 integration points.
  Task   246 has        292 integration points.
  Task   247 has        220 integration points.
  Task   248 has        226 integration points.
  Task   249 has        283 integration points.
  Task   250 has        256 integration points.
  Task   251 has        239 integration points.
  Task   252 has        217 integration points.
  Task   253 has        280 integration points.
  Task   254 has        230 integration points.
  Task   255 has        237 integration points.
  Task   256 has        272 integration points.
  Task   257 has        292 integration points.
  Task   258 has        229 integration points.
  Task   259 has        232 integration points.
  Task   260 has        307 integration points.
  Task   261 has        214 integration points.
  Task   262 has        219 integration points.
  Task   263 has        217 integration points.
  Task   264 has        264 integration points.
  Task   265 has        235 integration points.
  Task   266 has        229 integration points.
  Task   267 has        314 integration points.
  Task   268 has        229 integration points.
  Task   269 has        212 integration points.
  Task   270 has        242 integration points.
  Task   271 has        256 integration points.
  Task   272 has        251 integration points.
  Task   273 has        225 integration points.
  Task   274 has        222 integration points.
  Task   275 has        285 integration points.
  Task   276 has        260 integration points.
  Task   277 has        269 integration points.
  Task   278 has        285 integration points.
  Task   279 has        263 integration points.
  Task   280 has        260 integration points.
  Task   281 has        231 integration points.
  Task   282 has        273 integration points.
  Task   283 has        275 integration points.
  Task   284 has        246 integration points.
  Task   285 has        261 integration points.
  Task   286 has        236 integration points.
  Task   287 has        241 integration points.
  Task   288 has        299 integration points.
  Task   289 has        234 integration points.
  Task   290 has        240 integration points.
  Task   291 has        257 integration points.
  Task   292 has        276 integration points.
  Task   293 has        271 integration points.
  Task   294 has        260 integration points.
  Task   295 has        245 integration points.
  Task   296 has        259 integration points.
  Task   297 has        260 integration points.
  Task   298 has        256 integration points.
  Task   299 has        298 integration points.
  Task   300 has        263 integration points.
  Task   301 has        295 integration points.
  Task   302 has        242 integration points.
  Task   303 has        308 integration points.
  Task   304 has        245 integration points.
  Task   305 has        239 integration points.
  Task   306 has        251 integration points.
  Task   307 has        231 integration points.
  Task   308 has        225 integration points.
  Task   309 has        225 integration points.
  Task   310 has        255 integration points.
  Task   311 has        287 integration points.
  Task   312 has        261 integration points.
  Task   313 has        211 integration points.
  Task   314 has        244 integration points.
  Task   315 has        275 integration points.
  Task   316 has        296 integration points.
  Task   317 has        250 integration points.
  Task   318 has        283 integration points.
  Task   319 has        241 integration points.
  Task   320 has        257 integration points.
  Task   321 has        247 integration points.
  Task   322 has        243 integration points.
  Task   323 has        295 integration points.
  Task   324 has        241 integration points.
  Task   325 has        227 integration points.
  Task   326 has        223 integration points.
  Task   327 has        270 integration points.
  Task   328 has        217 integration points.
  Task   329 has        266 integration points.
  Task   330 has        250 integration points.
  Task   331 has        234 integration points.
  Task   332 has        317 integration points.
  Task   333 has        277 integration points.
  Task   334 has        321 integration points.
  Task   335 has        221 integration points.
  Task   336 has        279 integration points.
  Task   337 has        213 integration points.
  Task   338 has        295 integration points.
  Task   339 has        238 integration points.
  Task   340 has        241 integration points.
  Task   341 has        263 integration points.
  Task   342 has        240 integration points.
  Task   343 has        241 integration points.
  Task   344 has        268 integration points.
  Task   345 has        220 integration points.
  Task   346 has        229 integration points.
  Task   347 has        227 integration points.
  Task   348 has        274 integration points.
  Task   349 has        247 integration points.
  Task   350 has        207 integration points.
  Task   351 has        241 integration points.
  Task   352 has        224 integration points.
  Task   353 has        278 integration points.
  Task   354 has        244 integration points.
  Task   355 has        279 integration points.
  Task   356 has        216 integration points.
  Task   357 has        259 integration points.
  Task   358 has        249 integration points.
  Task   359 has        317 integration points.
  Task   360 has        271 integration points.
  Task   361 has        247 integration points.
  Task   362 has        243 integration points.
  Task   363 has        233 integration points.
  Task   364 has        250 integration points.
  Task   365 has        232 integration points.
  Task   366 has        235 integration points.
  Task   367 has        266 integration points.
  Task   368 has        291 integration points.
  Task   369 has        264 integration points.
  Task   370 has        211 integration points.
  Task   371 has        228 integration points.
  Task   372 has        265 integration points.
  Task   373 has        269 integration points.
  Task   374 has        266 integration points.
  Task   375 has        251 integration points.
  Task   376 has        226 integration points.
  Task   377 has        252 integration points.
  Task   378 has        215 integration points.
  Task   379 has        246 integration points.
  Task   380 has        278 integration points.
  Task   381 has        253 integration points.
  Task   382 has        276 integration points.
  Task   383 has        223 integration points.
  Task   384 has        255 integration points.
  Task   385 has        209 integration points.
  Task   386 has        259 integration points.
  Task   387 has        280 integration points.
  Task   388 has        257 integration points.
  Task   389 has        218 integration points.
  Task   390 has        272 integration points.
  Task   391 has        220 integration points.
  Task   392 has        261 integration points.
  Task   393 has        214 integration points.
  Task   394 has        244 integration points.
  Task   395 has        216 integration points.
  Task   396 has        231 integration points.
  Task   397 has        274 integration points.
  Task   398 has        243 integration points.
  Task   399 has        250 integration points.
  Task   400 has        214 integration points.
  Task   401 has        307 integration points.
  Task   402 has        213 integration points.
  Task   403 has        247 integration points.
  Task   404 has        280 integration points.
  Task   405 has        212 integration points.
  Task   406 has        250 integration points.
  Task   407 has        309 integration points.
  Task   408 has        208 integration points.
  Task   409 has        215 integration points.
  Task   410 has        249 integration points.
  Task   411 has        249 integration points.
  Task   412 has        245 integration points.
  Task   413 has        218 integration points.
  Task   414 has        260 integration points.
  Task   415 has        267 integration points.
  Task   416 has        277 integration points.
  Task   417 has        224 integration points.
  Task   418 has        241 integration points.
  Task   419 has        210 integration points.
  Task   420 has        280 integration points.
  Task   421 has        226 integration points.
  Task   422 has        264 integration points.
  Task   423 has        235 integration points.
  Task   424 has        277 integration points.
  Task   425 has        262 integration points.
  Task   426 has        266 integration points.
  Task   427 has        297 integration points.
  Task   428 has        282 integration points.
  Task   429 has        259 integration points.
  Task   430 has        300 integration points.
  Task   431 has        273 integration points.
  Task   432 has        242 integration points.
  Task   433 has        261 integration points.
  Task   434 has        222 integration points.
  Task   435 has        220 integration points.
  Task   436 has        267 integration points.
  Task   437 has        267 integration points.
  Task   438 has        240 integration points.
  Task   439 has        243 integration points.
  Task   440 has        224 integration points.
  Task   441 has        251 integration points.
  Task   442 has        267 integration points.
  Task   443 has        258 integration points.
  Task   444 has        227 integration points.
  Task   445 has        217 integration points.
  Task   446 has        255 integration points.
  Task   447 has        241 integration points.
  Task   448 has        208 integration points.
  Task   449 has        218 integration points.
  Task   450 has        251 integration points.
  Task   451 has        245 integration points.
  Task   452 has        276 integration points.
  Task   453 has        220 integration points.
  Task   454 has        259 integration points.
  Task   455 has        283 integration points.
  Task   456 has        219 integration points.
  Task   457 has        261 integration points.
  Task   458 has        214 integration points.
  Task   459 has        269 integration points.
  Task   460 has        214 integration points.
  Task   461 has        243 integration points.
  Task   462 has        231 integration points.
  Task   463 has        246 integration points.
  Task   464 has        237 integration points.
  Task   465 has        222 integration points.
  Task   466 has        258 integration points.
  Task   467 has        235 integration points.
  Task   468 has        247 integration points.
  Task   469 has        233 integration points.
  Task   470 has        225 integration points.
  Task   471 has        240 integration points.
  Task   472 has        232 integration points.
  Task   473 has        265 integration points.
  Task   474 has        233 integration points.
  Task   475 has        225 integration points.
  Task   476 has        227 integration points.
  Task   477 has        244 integration points.
  Task   478 has        269 integration points.
  Task   479 has        224 integration points.
  Task   480 has        309 integration points.
  Task   481 has        226 integration points.
  Task   482 has        230 integration points.
  Task   483 has        231 integration points.
  Task   484 has        263 integration points.
  Task   485 has        226 integration points.
  Task   486 has        300 integration points.
  Task   487 has        225 integration points.
  Task   488 has        243 integration points.
  Task   489 has        213 integration points.
  Task   490 has        218 integration points.
  Task   491 has        244 integration points.
  Task   492 has        250 integration points.
  Task   493 has        276 integration points.
  Task   494 has        243 integration points.
  Task   495 has        255 integration points.
  Task   496 has        303 integration points.
  Task   497 has        226 integration points.
  Task   498 has        217 integration points.
  Task   499 has        244 integration points.
  Task   500 has        278 integration points.
  Task   501 has        257 integration points.
  Task   502 has        260 integration points.
  Task   503 has        246 integration points.
  Task   504 has        216 integration points.
  Task   505 has        280 integration points.
  Task   506 has        243 integration points.
  Task   507 has        268 integration points.
  Task   508 has        235 integration points.
  Task   509 has        246 integration points.
  Task   510 has        245 integration points.
  Task   511 has        251 integration points.
  Task   512 has        258 integration points.
  Task   513 has        233 integration points.
  Task   514 has        252 integration points.
  Task   515 has        248 integration points.
  Task   516 has        214 integration points.
  Task   517 has        213 integration points.
  Task   518 has        208 integration points.
  Task   519 has        235 integration points.
  Task   520 has        210 integration points.
  Task   521 has        208 integration points.
  Task   522 has        252 integration points.
  Task   523 has        233 integration points.
  Task   524 has        237 integration points.
  Task   525 has        265 integration points.
  Task   526 has        227 integration points.
  Task   527 has        302 integration points.
  Task   528 has        268 integration points.
  Task   529 has        278 integration points.
  Task   530 has        246 integration points.
  Task   531 has        246 integration points.
  Task   532 has        253 integration points.
  Task   533 has        262 integration points.
  Task   534 has        271 integration points.
  Task   535 has        213 integration points.
  Task   536 has        302 integration points.
  Task   537 has        220 integration points.
  Task   538 has        253 integration points.
  Task   539 has        212 integration points.
  Task   540 has        212 integration points.
  Task   541 has        246 integration points.
  Task   542 has        265 integration points.
  Task   543 has        246 integration points.
  Task   544 has        282 integration points.
  Task   545 has        207 integration points.
  Task   546 has        233 integration points.
  Task   547 has        214 integration points.
  Task   548 has        286 integration points.
  Task   549 has        215 integration points.
  Task   550 has        260 integration points.
  Task   551 has        216 integration points.
  Task   552 has        264 integration points.
  Task   553 has        219 integration points.
  Task   554 has        226 integration points.
  Task   555 has        242 integration points.
  Task   556 has        285 integration points.
  Task   557 has        236 integration points.
  Task   558 has        245 integration points.
  Task   559 has        220 integration points.
  Task   560 has        209 integration points.
  Task   561 has        257 integration points.
  Task   562 has        271 integration points.
  Task   563 has        218 integration points.
  Task   564 has        222 integration points.
  Task   565 has        230 integration points.
  Task   566 has        297 integration points.
  Task   567 has        222 integration points.
  Task   568 has        248 integration points.
  Task   569 has        219 integration points.
  Task   570 has        287 integration points.
  Task   571 has        262 integration points.
  Task   572 has        252 integration points.
  Task   573 has        246 integration points.
  Task   574 has        215 integration points.
  Task   575 has        264 integration points.
  Task   576 has        244 integration points.
  Task   577 has        261 integration points.
  Task   578 has        278 integration points.
  Task   579 has        248 integration points.
  Task   580 has        236 integration points.
  Task   581 has        218 integration points.
  Task   582 has        237 integration points.
  Task   583 has        235 integration points.
  Task   584 has        248 integration points.
  Task   585 has        238 integration points.
  Task   586 has        233 integration points.
  Task   587 has        248 integration points.
  Task   588 has        223 integration points.
  Task   589 has        274 integration points.
  Task   590 has        240 integration points.
  Task   591 has        228 integration points.
  Task   592 has        288 integration points.
  Task   593 has        213 integration points.
  Task   594 has        221 integration points.
  Task   595 has        221 integration points.
  Task   596 has        252 integration points.
  Task   597 has        238 integration points.
  Task   598 has        254 integration points.
  Task   599 has        220 integration points.
  Task   600 has        249 integration points.
  Task   601 has        265 integration points.
  Task   602 has        262 integration points.
  Task   603 has        224 integration points.
  Task   604 has        251 integration points.
  Task   605 has        221 integration points.
  Task   606 has        269 integration points.
  Task   607 has        217 integration points.
  Task   608 has        242 integration points.
  Task   609 has        231 integration points.
  Task   610 has        234 integration points.
  Task   611 has        230 integration points.
  Task   612 has        276 integration points.
  Task   613 has        230 integration points.
  Task   614 has        216 integration points.
  Task   615 has        250 integration points.
  Task   616 has        255 integration points.
  Task   617 has        232 integration points.
  Task   618 has        226 integration points.
  Task   619 has        287 integration points.
  Task   620 has        272 integration points.
  Task   621 has        266 integration points.
  Task   622 has        208 integration points.
  Task   623 has        213 integration points.
  Task   624 has        232 integration points.
  Task   625 has        275 integration points.
  Task   626 has        215 integration points.
  Task   627 has        243 integration points.
  Task   628 has        208 integration points.
  Task   629 has        208 integration points.
  Task   630 has        218 integration points.
  Task   631 has        259 integration points.
  Task   632 has        207 integration points.
  Task   633 has        232 integration points.
  Task   634 has        229 integration points.
  Task   635 has        257 integration points.
  Task   636 has        244 integration points.
  Task   637 has        221 integration points.
  Task   638 has        267 integration points.
  Task   639 has        269 integration points.
  Task   640 has        235 integration points.
  Task   641 has        217 integration points.
  Task   642 has        239 integration points.
  Task   643 has        263 integration points.
  Task   644 has        260 integration points.
  Task   645 has        217 integration points.
  Task   646 has        219 integration points.
  Task   647 has        250 integration points.
  Task   648 has        257 integration points.
  Task   649 has        246 integration points.
  Task   650 has        223 integration points.
  Task   651 has        229 integration points.
  Task   652 has        267 integration points.
  Task   653 has        260 integration points.
  Task   654 has        275 integration points.
  Task   655 has        272 integration points.
  Task   656 has        222 integration points.
  Task   657 has        264 integration points.
  Task   658 has        219 integration points.
  Task   659 has        254 integration points.
  Task   660 has        241 integration points.
  Task   661 has        253 integration points.
  Task   662 has        254 integration points.
  Task   663 has        290 integration points.
  Task   664 has        227 integration points.
  Task   665 has        296 integration points.
  Task   666 has        221 integration points.
  Task   667 has        257 integration points.
  Task   668 has        239 integration points.
  Task   669 has        229 integration points.
  Task   670 has        210 integration points.
  Task   671 has        304 integration points.
  Task   672 has        265 integration points.
  Task   673 has        228 integration points.
  Task   674 has        219 integration points.
  Task   675 has        247 integration points.
  Task   676 has        266 integration points.
  Task   677 has        223 integration points.
  Task   678 has        257 integration points.
  Task   679 has        226 integration points.
  Task   680 has        297 integration points.
  Task   681 has        256 integration points.
  Task   682 has        231 integration points.
  Task   683 has        237 integration points.
  Task   684 has        301 integration points.
  Task   685 has        209 integration points.
  Task   686 has        212 integration points.
  Task   687 has        285 integration points.
  Task   688 has        220 integration points.
  Task   689 has        245 integration points.
  Task   690 has        220 integration points.
  Task   691 has        225 integration points.
  Task   692 has        210 integration points.
  Task   693 has        238 integration points.
  Task   694 has        281 integration points.
  Task   695 has        216 integration points.
  Task   696 has        223 integration points.
  Task   697 has        290 integration points.
  Task   698 has        219 integration points.
  Task   699 has        262 integration points.
  Task   700 has        263 integration points.
  Task   701 has        249 integration points.
  Task   702 has        207 integration points.
  Task   703 has        250 integration points.
  Task   704 has        278 integration points.
  Task   705 has        214 integration points.
  Task   706 has        255 integration points.
  Task   707 has        231 integration points.
  Task   708 has        270 integration points.
  Task   709 has        229 integration points.
  Task   710 has        213 integration points.
  Task   711 has        301 integration points.
  Task   712 has        249 integration points.
  Task   713 has        222 integration points.
  Task   714 has        303 integration points.
  Task   715 has        261 integration points.
  Task   716 has        214 integration points.
  Task   717 has        215 integration points.
  Task   718 has        208 integration points.
  Task   719 has        266 integration points.
  Task   720 has        217 integration points.
  Task   721 has        253 integration points.
  Task   722 has        266 integration points.
  Task   723 has        259 integration points.
  Task   724 has        250 integration points.
  Task   725 has        233 integration points.
  Task   726 has        253 integration points.
  Task   727 has        215 integration points.
  Task   728 has        251 integration points.
  Task   729 has        276 integration points.
  Task   730 has        273 integration points.
  Task   731 has        207 integration points.
  Task   732 has        236 integration points.
  Task   733 has        215 integration points.
  Task   734 has        266 integration points.
  Task   735 has        269 integration points.
  Task   736 has        264 integration points.
  Task   737 has        213 integration points.
  Task   738 has        254 integration points.
  Task   739 has        260 integration points.
  Task   740 has        273 integration points.
  Task   741 has        254 integration points.
  Task   742 has        212 integration points.
  Task   743 has        263 integration points.
  Task   744 has        228 integration points.
  Task   745 has        262 integration points.
  Task   746 has        263 integration points.
  Task   747 has        222 integration points.
  Task   748 has        276 integration points.
  Task   749 has        214 integration points.
  Task   750 has        244 integration points.
  Task   751 has        229 integration points.
  Task   752 has        267 integration points.
  Task   753 has        266 integration points.
  Task   754 has        265 integration points.
  Task   755 has        230 integration points.
  Task   756 has        210 integration points.
  Task   757 has        236 integration points.
  Task   758 has        288 integration points.
  Task   759 has        267 integration points.
  Task   760 has        244 integration points.
  Task   761 has        303 integration points.
  Task   762 has        264 integration points.
  Task   763 has        279 integration points.
  Task   764 has        207 integration points.
  Task   765 has        275 integration points.
  Task   766 has        258 integration points.
  Task   767 has        237 integration points.
  Task   768 has        241 integration points.
  Task   769 has        250 integration points.
  Task   770 has        214 integration points.
  Task   771 has        244 integration points.
  Task   772 has        286 integration points.
  Task   773 has        252 integration points.
  Task   774 has        248 integration points.
  Task   775 has        231 integration points.
  Task   776 has        209 integration points.
  Task   777 has        247 integration points.
  Task   778 has        217 integration points.
  Task   779 has        251 integration points.
  Task   780 has        233 integration points.
  Task   781 has        262 integration points.
  Task   782 has        229 integration points.
  Task   783 has        217 integration points.
  Task   784 has        248 integration points.
  Task   785 has        277 integration points.
  Task   786 has        230 integration points.
  Task   787 has        207 integration points.
  Task   788 has        250 integration points.
  Task   789 has        259 integration points.
  Task   790 has        257 integration points.
  Task   791 has        220 integration points.
  Task   792 has        262 integration points.
  Task   793 has        252 integration points.
  Task   794 has        264 integration points.
  Task   795 has        256 integration points.
  Task   796 has        278 integration points.
  Task   797 has        299 integration points.
  Task   798 has        239 integration points.
  Task   799 has        265 integration points.
  Task   800 has        231 integration points.
  Task   801 has        258 integration points.
  Task   802 has        216 integration points.
  Task   803 has        219 integration points.
  Task   804 has        218 integration points.
  Task   805 has        250 integration points.
  Task   806 has        240 integration points.
  Task   807 has        249 integration points.
  Task   808 has        217 integration points.
  Task   809 has        213 integration points.
  Task   810 has        236 integration points.
  Task   811 has        221 integration points.
  Task   812 has        231 integration points.
  Task   813 has        210 integration points.
  Task   814 has        208 integration points.
  Task   815 has        243 integration points.
  Task   816 has        241 integration points.
  Task   817 has        239 integration points.
  Task   818 has        237 integration points.
  Task   819 has        237 integration points.
  Task   820 has        210 integration points.
  Task   821 has        232 integration points.
  Task   822 has        242 integration points.
  Task   823 has        211 integration points.
  Task   824 has        211 integration points.
  Task   825 has        262 integration points.
  Task   826 has        239 integration points.
  Task   827 has        231 integration points.
  Task   828 has        256 integration points.
  Task   829 has        215 integration points.
  Task   830 has        256 integration points.
  Task   831 has        234 integration points.
  Task   832 has        229 integration points.
  Task   833 has        248 integration points.
  Task   834 has        282 integration points.
  Task   835 has        251 integration points.
  Task   836 has        212 integration points.
  Task   837 has        281 integration points.
  Task   838 has        265 integration points.
  Task   839 has        256 integration points.
  Task   840 has        292 integration points.
  Task   841 has        251 integration points.
  Task   842 has        245 integration points.
  Task   843 has        213 integration points.
  Task   844 has        229 integration points.
  Task   845 has        276 integration points.
  Task   846 has        222 integration points.
  Task   847 has        234 integration points.
  Task   848 has        232 integration points.
  Task   849 has        248 integration points.
  Task   850 has        237 integration points.
  Task   851 has        279 integration points.
  Task   852 has        240 integration points.
  Task   853 has        217 integration points.
  Task   854 has        252 integration points.
  Task   855 has        215 integration points.
  Task   856 has        318 integration points.
  Task   857 has        261 integration points.
  Task   858 has        279 integration points.
  Task   859 has        277 integration points.
  Task   860 has        267 integration points.
  Task   861 has        238 integration points.
  Task   862 has        227 integration points.
  Task   863 has        211 integration points.
  Task   864 has        255 integration points.
  Task   865 has        232 integration points.
  Task   866 has        266 integration points.
  Task   867 has        242 integration points.
  Task   868 has        269 integration points.
  Task   869 has        220 integration points.
  Task   870 has        272 integration points.
  Task   871 has        267 integration points.
  Task   872 has        245 integration points.
  Task   873 has        282 integration points.
  Task   874 has        230 integration points.
  Task   875 has        276 integration points.
  Task   876 has        278 integration points.
  Task   877 has        209 integration points.
  Task   878 has        258 integration points.
  Task   879 has        320 integration points.
  Task   880 has        220 integration points.
  Task   881 has        221 integration points.
  Task   882 has        222 integration points.
  Task   883 has        208 integration points.
  Task   884 has        241 integration points.
  Task   885 has        304 integration points.
  Task   886 has        231 integration points.
  Task   887 has        248 integration points.
  Task   888 has        233 integration points.
  Task   889 has        248 integration points.
  Task   890 has        239 integration points.
  Task   891 has        267 integration points.
  Task   892 has        240 integration points.
  Task   893 has        216 integration points.
  Task   894 has        294 integration points.
  Task   895 has        250 integration points.
  Task   896 has        252 integration points.
  Task   897 has        207 integration points.
  Task   898 has        247 integration points.
  Task   899 has        207 integration points.
  Task   900 has        251 integration points.
  Task   901 has        233 integration points.
  Task   902 has        220 integration points.
  Task   903 has        209 integration points.
  Task   904 has        240 integration points.
  Task   905 has        263 integration points.
  Task   906 has        240 integration points.
  Task   907 has        243 integration points.
  Task   908 has        252 integration points.
  Task   909 has        246 integration points.
  Task   910 has        217 integration points.
  Task   911 has        248 integration points.
  Task   912 has        235 integration points.
  Task   913 has        226 integration points.
  Task   914 has        304 integration points.
  Task   915 has        265 integration points.
  Task   916 has        227 integration points.
  Task   917 has        302 integration points.
  Task   918 has        260 integration points.
  Task   919 has        217 integration points.
  Task   920 has        252 integration points.
  Task   921 has        222 integration points.
  Task   922 has        216 integration points.
  Task   923 has        233 integration points.
  Task   924 has        242 integration points.
  Task   925 has        209 integration points.
  Task   926 has        219 integration points.
  Task   927 has        264 integration points.
  Task   928 has        239 integration points.
  Task   929 has        270 integration points.
  Task   930 has        254 integration points.
  Task   931 has        323 integration points.
  Task   932 has        225 integration points.
  Task   933 has        229 integration points.
  Task   934 has        256 integration points.
  Task   935 has        228 integration points.
  Task   936 has        218 integration points.
  Task   937 has        208 integration points.
  Task   938 has        219 integration points.
  Task   939 has        285 integration points.
  Task   940 has        236 integration points.
  Task   941 has        222 integration points.
  Task   942 has        264 integration points.
  Task   943 has        247 integration points.
  Task   944 has        212 integration points.
  Task   945 has        210 integration points.
  Task   946 has        251 integration points.
  Task   947 has        243 integration points.
  Task   948 has        219 integration points.
  Task   949 has        220 integration points.
  Task   950 has        251 integration points.
  Task   951 has        211 integration points.
  Task   952 has        215 integration points.
  Task   953 has        251 integration points.
  Task   954 has        259 integration points.
  Task   955 has        236 integration points.
  Task   956 has        300 integration points.
  Task   957 has        217 integration points.
  Task   958 has        263 integration points.
  Task   959 has        250 integration points.
  Task   960 has        267 integration points.
  Task   961 has        260 integration points.
  Task   962 has        235 integration points.
  Task   963 has        268 integration points.
  Task   964 has        232 integration points.
  Task   965 has        271 integration points.
  Task   966 has        273 integration points.
  Task   967 has        289 integration points.
  Task   968 has        212 integration points.
  Task   969 has        220 integration points.
  Task   970 has        210 integration points.
  Task   971 has        252 integration points.
  Task   972 has        222 integration points.
  Task   973 has        263 integration points.
  Task   974 has        284 integration points.
  Task   975 has        245 integration points.
  Task   976 has        253 integration points.
  Task   977 has        217 integration points.
  Task   978 has        257 integration points.
  Task   979 has        250 integration points.
  Task   980 has        237 integration points.
  Task   981 has        270 integration points.
  Task   982 has        248 integration points.
  Task   983 has        207 integration points.
  Task   984 has        220 integration points.
  Task   985 has        243 integration points.
  Task   986 has        225 integration points.
  Task   987 has        223 integration points.
  Task   988 has        306 integration points.
  Task   989 has        285 integration points.
  Task   990 has        223 integration points.
  Task   991 has        254 integration points.
  Task   992 has        266 integration points.
  Task   993 has        235 integration points.
  Task   994 has        247 integration points.
  Task   995 has        281 integration points.
  Task   996 has        262 integration points.
  Task   997 has        224 integration points.
  Task   998 has        266 integration points.
  Task   999 has        268 integration points.
  Task  1000 has        220 integration points.
  Task  1001 has        237 integration points.
  Task  1002 has        264 integration points.
  Task  1003 has        239 integration points.
  Task  1004 has        231 integration points.
  Task  1005 has        239 integration points.
  Task  1006 has        214 integration points.
  Task  1007 has        298 integration points.
  Task  1008 has        229 integration points.
  Task  1009 has        225 integration points.
  Task  1010 has        241 integration points.
  Task  1011 has        250 integration points.
  Task  1012 has        264 integration points.
  Task  1013 has        256 integration points.
  Task  1014 has        220 integration points.
  Task  1015 has        208 integration points.
  Task  1016 has        278 integration points.
  Task  1017 has        226 integration points.
  Task  1018 has        267 integration points.
  Task  1019 has        274 integration points.
  Task  1020 has        223 integration points.
  Task  1021 has        250 integration points.
  Task  1022 has        254 integration points.
  Task  1023 has        236 integration points.
  Task  1024 has        301 integration points.
  Task  1025 has        250 integration points.
  Task  1026 has        264 integration points.
  Task  1027 has        268 integration points.
  Task  1028 has        263 integration points.
  Task  1029 has        254 integration points.
  Task  1030 has        232 integration points.
  Task  1031 has        236 integration points.
  Task  1032 has        218 integration points.
  Task  1033 has        230 integration points.
  Task  1034 has        242 integration points.
  Task  1035 has        270 integration points.
  Task  1036 has        224 integration points.
  Task  1037 has        305 integration points.
  Task  1038 has        262 integration points.
  Task  1039 has        239 integration points.
  Task  1040 has        292 integration points.
  Task  1041 has        286 integration points.
  Task  1042 has        257 integration points.
  Task  1043 has        253 integration points.
  Task  1044 has        261 integration points.
  Task  1045 has        223 integration points.
  Task  1046 has        258 integration points.
  Task  1047 has        271 integration points.
  Task  1048 has        252 integration points.
  Task  1049 has        232 integration points.
  Task  1050 has        270 integration points.
  Task  1051 has        280 integration points.
  Task  1052 has        288 integration points.
  Task  1053 has        260 integration points.
  Task  1054 has        227 integration points.
  Task  1055 has        256 integration points.
  Task  1056 has        273 integration points.
  Task  1057 has        266 integration points.
  Task  1058 has        271 integration points.
  Task  1059 has        271 integration points.
  Task  1060 has        261 integration points.
  Task  1061 has        226 integration points.
  Task  1062 has        210 integration points.
  Task  1063 has        244 integration points.
  Task  1064 has        275 integration points.
  Task  1065 has        272 integration points.
  Task  1066 has        277 integration points.
  Task  1067 has        250 integration points.
  Task  1068 has        211 integration points.
  Task  1069 has        211 integration points.
  Task  1070 has        227 integration points.
  Task  1071 has        249 integration points.
  Task  1072 has        216 integration points.
  Task  1073 has        249 integration points.
  Task  1074 has        229 integration points.
  Task  1075 has        249 integration points.
  Task  1076 has        260 integration points.
  Task  1077 has        210 integration points.
  Task  1078 has        313 integration points.
  Task  1079 has        234 integration points.
  Task  1080 has        256 integration points.
  Task  1081 has        265 integration points.
  Task  1082 has        258 integration points.
  Task  1083 has        263 integration points.
  Task  1084 has        252 integration points.
  Task  1085 has        228 integration points.
  Task  1086 has        253 integration points.
  Task  1087 has        256 integration points.
  Task  1088 has        253 integration points.
  Task  1089 has        243 integration points.
  Task  1090 has        274 integration points.
  Task  1091 has        275 integration points.
  Task  1092 has        266 integration points.
  Task  1093 has        255 integration points.
  Task  1094 has        249 integration points.
  Task  1095 has        259 integration points.
  Task  1096 has        221 integration points.
  Task  1097 has        286 integration points.
  Task  1098 has        274 integration points.
  Task  1099 has        235 integration points.
  Task  1100 has        219 integration points.
  Task  1101 has        208 integration points.
  Task  1102 has        260 integration points.
  Task  1103 has        251 integration points.
  Task  1104 has        216 integration points.
  Task  1105 has        220 integration points.
  Task  1106 has        223 integration points.
  Task  1107 has        252 integration points.
  Task  1108 has        259 integration points.
  Task  1109 has        259 integration points.
  Task  1110 has        234 integration points.
  Task  1111 has        250 integration points.
  Task  1112 has        235 integration points.
  Task  1113 has        230 integration points.
  Task  1114 has        207 integration points.
  Task  1115 has        242 integration points.
  Task  1116 has        283 integration points.
  Task  1117 has        239 integration points.
  Task  1118 has        230 integration points.
  Task  1119 has        258 integration points.
  Task  1120 has        294 integration points.
  Task  1121 has        305 integration points.
  Task  1122 has        285 integration points.
  Task  1123 has        251 integration points.
  Task  1124 has        239 integration points.
  Task  1125 has        275 integration points.
  Task  1126 has        254 integration points.
  Task  1127 has        289 integration points.
  Task  1128 has        284 integration points.
  Task  1129 has        221 integration points.
  Task  1130 has        275 integration points.
  Task  1131 has        247 integration points.
  Task  1132 has        213 integration points.
  Task  1133 has        251 integration points.
  Task  1134 has        230 integration points.
  Task  1135 has        261 integration points.
  Task  1136 has        241 integration points.
  Task  1137 has        263 integration points.
  Task  1138 has        223 integration points.
  Task  1139 has        209 integration points.
  Task  1140 has        244 integration points.
  Task  1141 has        233 integration points.
  Task  1142 has        257 integration points.
  Task  1143 has        212 integration points.
  Task  1144 has        245 integration points.
  Task  1145 has        260 integration points.
  Task  1146 has        229 integration points.
  Task  1147 has        259 integration points.
  Task  1148 has        207 integration points.
  Task  1149 has        234 integration points.
  Task  1150 has        222 integration points.
  Task  1151 has        219 integration points.
  Task  1152 has        218 integration points.
  Task  1153 has        236 integration points.
  Task  1154 has        287 integration points.
  Task  1155 has        271 integration points.
  Task  1156 has        269 integration points.
  Task  1157 has        210 integration points.
  Task  1158 has        272 integration points.
  Task  1159 has        237 integration points.
  Task  1160 has        209 integration points.
  Task  1161 has        266 integration points.
  Task  1162 has        260 integration points.
  Task  1163 has        288 integration points.
  Task  1164 has        279 integration points.
  Task  1165 has        266 integration points.
  Task  1166 has        211 integration points.
  Task  1167 has        228 integration points.
  Task  1168 has        246 integration points.
  Task  1169 has        237 integration points.
  Task  1170 has        284 integration points.
  Task  1171 has        230 integration points.
  Task  1172 has        277 integration points.
  Task  1173 has        294 integration points.
  Task  1174 has        249 integration points.
  Task  1175 has        223 integration points.
  Task  1176 has        236 integration points.
  Task  1177 has        215 integration points.
  Task  1178 has        238 integration points.
  Task  1179 has        220 integration points.
  Task  1180 has        234 integration points.
  Task  1181 has        284 integration points.
  Task  1182 has        217 integration points.
  Task  1183 has        258 integration points.
  Task  1184 has        252 integration points.
  Task  1185 has        278 integration points.
  Task  1186 has        250 integration points.
  Task  1187 has        301 integration points.
  Task  1188 has        304 integration points.
  Task  1189 has        257 integration points.
  Task  1190 has        232 integration points.
  Task  1191 has        224 integration points.
  Task  1192 has        207 integration points.
  Task  1193 has        258 integration points.
  Task  1194 has        249 integration points.
  Task  1195 has        234 integration points.
  Task  1196 has        268 integration points.
  Task  1197 has        273 integration points.
  Task  1198 has        233 integration points.
  Task  1199 has        260 integration points.
  Task  1200 has        261 integration points.
  Task  1201 has        273 integration points.
  Task  1202 has        207 integration points.
  Task  1203 has        286 integration points.
  Task  1204 has        222 integration points.
  Task  1205 has        258 integration points.
  Task  1206 has        253 integration points.
  Task  1207 has        281 integration points.
  Task  1208 has        235 integration points.
  Task  1209 has        252 integration points.
  Task  1210 has        268 integration points.
  Task  1211 has        255 integration points.
  Task  1212 has        268 integration points.
  Task  1213 has        232 integration points.
  Task  1214 has        260 integration points.
  Task  1215 has        253 integration points.
  Task  1216 has        252 integration points.
  Task  1217 has        227 integration points.
  Task  1218 has        228 integration points.
  Task  1219 has        208 integration points.
  Task  1220 has        277 integration points.
  Task  1221 has        256 integration points.
  Task  1222 has        237 integration points.
  Task  1223 has        238 integration points.
  Task  1224 has        225 integration points.
  Task  1225 has        268 integration points.
  Task  1226 has        274 integration points.
  Task  1227 has        253 integration points.
  Task  1228 has        251 integration points.
  Task  1229 has        208 integration points.
  Task  1230 has        287 integration points.
  Task  1231 has        244 integration points.
  Task  1232 has        245 integration points.
  Task  1233 has        212 integration points.
  Task  1234 has        304 integration points.
  Task  1235 has        249 integration points.
  Task  1236 has        248 integration points.
  Task  1237 has        237 integration points.
  Task  1238 has        240 integration points.
  Task  1239 has        225 integration points.
  Task  1240 has        213 integration points.
  Task  1241 has        316 integration points.
  Task  1242 has        234 integration points.
  Task  1243 has        283 integration points.
  Task  1244 has        259 integration points.
  Task  1245 has        296 integration points.
  Task  1246 has        276 integration points.
  Task  1247 has        251 integration points.
  Task  1248 has        231 integration points.
  Task  1249 has        233 integration points.
  Task  1250 has        262 integration points.
  Task  1251 has        254 integration points.
  Task  1252 has        218 integration points.
  Task  1253 has        243 integration points.
  Task  1254 has        271 integration points.
  Task  1255 has        210 integration points.
  Task  1256 has        250 integration points.
  Task  1257 has        260 integration points.
  Task  1258 has        241 integration points.
  Task  1259 has        278 integration points.
  Task  1260 has        299 integration points.
  Task  1261 has        257 integration points.
  Task  1262 has        237 integration points.
  Task  1263 has        255 integration points.
  Task  1264 has        229 integration points.
  Task  1265 has        221 integration points.
  Task  1266 has        231 integration points.
  Task  1267 has        282 integration points.
  Task  1268 has        257 integration points.
  Task  1269 has        216 integration points.
  Task  1270 has        209 integration points.
  Task  1271 has        234 integration points.
  Task  1272 has        243 integration points.
  Task  1273 has        259 integration points.
  Task  1274 has        259 integration points.
  Task  1275 has        223 integration points.
  Task  1276 has        280 integration points.
  Task  1277 has        207 integration points.
  Task  1278 has        235 integration points.
  Task  1279 has        236 integration points.
  Task  1280 has        260 integration points.
  Task  1281 has        243 integration points.
  Task  1282 has        224 integration points.
  Task  1283 has        285 integration points.
  Task  1284 has        264 integration points.
  Task  1285 has        258 integration points.
  Task  1286 has        223 integration points.
  Task  1287 has        260 integration points.
  Task  1288 has        233 integration points.
  Task  1289 has        207 integration points.
  Task  1290 has        268 integration points.
  Task  1291 has        223 integration points.
  Task  1292 has        220 integration points.
  Task  1293 has        238 integration points.
  Task  1294 has        249 integration points.
  Task  1295 has        245 integration points.
  Task  1296 has        230 integration points.
  Task  1297 has        244 integration points.
  Task  1298 has        239 integration points.
  Task  1299 has        253 integration points.
  Task  1300 has        246 integration points.
  Task  1301 has        257 integration points.
  Task  1302 has        241 integration points.
  Task  1303 has        246 integration points.
  Task  1304 has        284 integration points.
  Task  1305 has        262 integration points.
  Task  1306 has        262 integration points.
  Task  1307 has        225 integration points.
  Task  1308 has        213 integration points.
  Task  1309 has        267 integration points.
  Task  1310 has        283 integration points.
  Task  1311 has        246 integration points.
  Task  1312 has        260 integration points.
  Task  1313 has        284 integration points.
  Task  1314 has        251 integration points.
  Task  1315 has        225 integration points.
  Task  1316 has        306 integration points.
  Task  1317 has        244 integration points.
  Task  1318 has        217 integration points.
  Task  1319 has        236 integration points.
  Task  1320 has        263 integration points.
  Task  1321 has        253 integration points.
  Task  1322 has        232 integration points.
  Task  1323 has        263 integration points.
  Task  1324 has        228 integration points.
  Task  1325 has        214 integration points.
  Task  1326 has        297 integration points.
  Task  1327 has        239 integration points.
  Task  1328 has        258 integration points.
  Task  1329 has        259 integration points.
  Task  1330 has        258 integration points.
  Task  1331 has        232 integration points.
  Task  1332 has        259 integration points.
  Task  1333 has        315 integration points.
  Task  1334 has        270 integration points.
  Task  1335 has        287 integration points.
  Task  1336 has        211 integration points.
  Task  1337 has        261 integration points.
  Task  1338 has        248 integration points.
  Task  1339 has        238 integration points.
  Task  1340 has        270 integration points.
  Task  1341 has        227 integration points.
  Task  1342 has        267 integration points.
  Task  1343 has        257 integration points.
  Task  1344 has        238 integration points.
  Task  1345 has        270 integration points.
  Task  1346 has        219 integration points.
  Task  1347 has        271 integration points.
  Task  1348 has        225 integration points.
  Task  1349 has        249 integration points.
  Task  1350 has        261 integration points.
  Task  1351 has        229 integration points.
  Task  1352 has        261 integration points.
  Task  1353 has        252 integration points.
  Task  1354 has        257 integration points.
  Task  1355 has        224 integration points.
  Task  1356 has        261 integration points.
  Task  1357 has        213 integration points.
  Task  1358 has        265 integration points.
  Task  1359 has        273 integration points.
  Task  1360 has        250 integration points.
  Task  1361 has        231 integration points.
  Task  1362 has        216 integration points.
  Task  1363 has        261 integration points.
  Task  1364 has        220 integration points.
  Task  1365 has        260 integration points.
  Task  1366 has        244 integration points.
  Task  1367 has        226 integration points.
  Task  1368 has        216 integration points.
  Task  1369 has        254 integration points.
  Task  1370 has        228 integration points.
  Task  1371 has        232 integration points.
  Task  1372 has        246 integration points.
  Task  1373 has        253 integration points.
  Task  1374 has        244 integration points.
  Task  1375 has        260 integration points.
  Task  1376 has        235 integration points.
  Task  1377 has        263 integration points.
  Task  1378 has        239 integration points.
  Task  1379 has        212 integration points.
  Task  1380 has        222 integration points.
  Task  1381 has        209 integration points.
  Task  1382 has        262 integration points.
  Task  1383 has        249 integration points.
  Task  1384 has        237 integration points.
  Task  1385 has        247 integration points.
  Task  1386 has        229 integration points.
  Task  1387 has        228 integration points.
  Task  1388 has        226 integration points.
  Task  1389 has        246 integration points.
  Task  1390 has        247 integration points.
  Task  1391 has        228 integration points.
  Task  1392 has        259 integration points.
  Task  1393 has        219 integration points.
  Task  1394 has        267 integration points.
  Task  1395 has        228 integration points.
  Task  1396 has        239 integration points.
  Task  1397 has        256 integration points.
  Task  1398 has        226 integration points.
  Task  1399 has        229 integration points.
  Task  1400 has        227 integration points.
  Task  1401 has        252 integration points.
  Task  1402 has        235 integration points.
  Task  1403 has        263 integration points.
  Task  1404 has        256 integration points.
  Task  1405 has        259 integration points.
  Task  1406 has        218 integration points.
  Task  1407 has        264 integration points.
  Task  1408 has        246 integration points.
  Task  1409 has        246 integration points.
  Task  1410 has        221 integration points.
  Task  1411 has        270 integration points.
  Task  1412 has        253 integration points.
  Task  1413 has        305 integration points.
  Task  1414 has        237 integration points.
  Task  1415 has        265 integration points.
  Task  1416 has        244 integration points.
  Task  1417 has        259 integration points.
  Task  1418 has        236 integration points.
  Task  1419 has        253 integration points.
  Task  1420 has        258 integration points.
  Task  1421 has        262 integration points.
  Task  1422 has        269 integration points.
  Task  1423 has        271 integration points.
  Task  1424 has        214 integration points.
  Task  1425 has        239 integration points.
  Task  1426 has        261 integration points.
  Task  1427 has        242 integration points.
  Task  1428 has        221 integration points.
  Task  1429 has        247 integration points.
  Task  1430 has        231 integration points.
  Task  1431 has        266 integration points.
  Task  1432 has        262 integration points.
  Task  1433 has        240 integration points.
  Task  1434 has        260 integration points.
  Task  1435 has        259 integration points.
  Task  1436 has        230 integration points.
  Task  1437 has        232 integration points.
  Task  1438 has        254 integration points.
  Task  1439 has        230 integration points.
  Task  1440 has        242 integration points.
  Task  1441 has        232 integration points.
  Task  1442 has        232 integration points.
  Task  1443 has        234 integration points.
  Task  1444 has        257 integration points.
  Task  1445 has        252 integration points.
  Task  1446 has        301 integration points.
  Task  1447 has        217 integration points.
  Task  1448 has        243 integration points.
  Task  1449 has        231 integration points.
  Task  1450 has        255 integration points.
  Task  1451 has        263 integration points.
  Task  1452 has        261 integration points.
  Task  1453 has        260 integration points.
  Task  1454 has        234 integration points.
  Task  1455 has        228 integration points.
  Task  1456 has        225 integration points.
  Task  1457 has        211 integration points.
  Task  1458 has        271 integration points.
  Task  1459 has        268 integration points.
  Task  1460 has        261 integration points.
  Task  1461 has        260 integration points.
  Task  1462 has        219 integration points.
  Task  1463 has        235 integration points.
  Task  1464 has        213 integration points.
  Task  1465 has        268 integration points.
  Task  1466 has        253 integration points.
  Task  1467 has        263 integration points.
  Task  1468 has        263 integration points.
  Task  1469 has        231 integration points.
  Task  1470 has        265 integration points.
  Task  1471 has        221 integration points.
  Task  1472 has        253 integration points.
  Task  1473 has        240 integration points.
  Task  1474 has        230 integration points.
  Task  1475 has        261 integration points.
  Task  1476 has        231 integration points.
  Task  1477 has        214 integration points.
  Task  1478 has        256 integration points.
  Task  1479 has        229 integration points.
  Task  1480 has        308 integration points.
  Task  1481 has        263 integration points.
  Task  1482 has        267 integration points.
  Task  1483 has        236 integration points.
  Task  1484 has        284 integration points.
  Task  1485 has        213 integration points.
  Task  1486 has        236 integration points.
  Task  1487 has        221 integration points.
  Task  1488 has        230 integration points.
  Task  1489 has        261 integration points.
  Task  1490 has        262 integration points.
  Task  1491 has        260 integration points.
  Task  1492 has        215 integration points.
  Task  1493 has        248 integration points.
  Task  1494 has        230 integration points.
  Task  1495 has        217 integration points.
  Task  1496 has        215 integration points.
  Task  1497 has        218 integration points.
  Task  1498 has        318 integration points.
  Task  1499 has        265 integration points.
  Task  1500 has        274 integration points.
  Task  1501 has        250 integration points.
  Task  1502 has        285 integration points.
  Task  1503 has        242 integration points.
  Task  1504 has        252 integration points.
  Task  1505 has        279 integration points.
  Task  1506 has        250 integration points.
  Task  1507 has        276 integration points.
  Task  1508 has        253 integration points.
  Task  1509 has        307 integration points.
  Task  1510 has        257 integration points.
  Task  1511 has        238 integration points.
  Task  1512 has        239 integration points.
  Task  1513 has        242 integration points.
  Task  1514 has        208 integration points.
  Task  1515 has        233 integration points.
  Task  1516 has        267 integration points.
  Task  1517 has        250 integration points.
  Task  1518 has        219 integration points.
  Task  1519 has        213 integration points.
  Task  1520 has        248 integration points.
  Task  1521 has        269 integration points.
  Task  1522 has        264 integration points.
  Task  1523 has        256 integration points.
  Task  1524 has        289 integration points.
  Task  1525 has        223 integration points.
  Task  1526 has        275 integration points.
  Task  1527 has        232 integration points.
  Task  1528 has        221 integration points.
  Task  1529 has        222 integration points.
  Task  1530 has        259 integration points.
  Task  1531 has        270 integration points.
  Task  1532 has        219 integration points.
  Task  1533 has        256 integration points.
  Task  1534 has        281 integration points.
  Task  1535 has        234 integration points.
  Task  1536 has        222 integration points.
  Task  1537 has        258 integration points.
  Task  1538 has        233 integration points.
  Task  1539 has        277 integration points.
  Task  1540 has        260 integration points.
  Task  1541 has        242 integration points.
  Task  1542 has        252 integration points.
  Task  1543 has        259 integration points.
  Task  1544 has        236 integration points.
  Task  1545 has        295 integration points.
  Task  1546 has        255 integration points.
  Task  1547 has        292 integration points.
  Task  1548 has        246 integration points.
  Task  1549 has        250 integration points.
  Task  1550 has        230 integration points.
  Task  1551 has        259 integration points.
  Task  1552 has        229 integration points.
  Task  1553 has        283 integration points.
  Task  1554 has        309 integration points.
  Task  1555 has        281 integration points.
  Task  1556 has        212 integration points.
  Task  1557 has        214 integration points.
  Task  1558 has        228 integration points.
  Task  1559 has        211 integration points.
  Task  1560 has        233 integration points.
  Task  1561 has        258 integration points.
  Task  1562 has        274 integration points.
  Task  1563 has        279 integration points.
  Task  1564 has        231 integration points.
  Task  1565 has        216 integration points.
  Task  1566 has        246 integration points.
  Task  1567 has        233 integration points.
  Task  1568 has        215 integration points.
  Task  1569 has        208 integration points.
  Task  1570 has        258 integration points.
  Task  1571 has        281 integration points.
  Task  1572 has        248 integration points.
  Task  1573 has        272 integration points.
  Task  1574 has        207 integration points.
  Task  1575 has        245 integration points.
  Task  1576 has        271 integration points.
  Task  1577 has        228 integration points.
  Task  1578 has        225 integration points.
  Task  1579 has        228 integration points.
  Task  1580 has        226 integration points.
  Task  1581 has        253 integration points.
  Task  1582 has        230 integration points.
  Task  1583 has        277 integration points.
  Task  1584 has        249 integration points.
  Task  1585 has        232 integration points.
  Task  1586 has        236 integration points.
  Task  1587 has        298 integration points.
  Task  1588 has        244 integration points.
  Task  1589 has        271 integration points.
  Task  1590 has        292 integration points.
  Task  1591 has        250 integration points.
  Task  1592 has        254 integration points.
  Task  1593 has        273 integration points.
  Task  1594 has        277 integration points.
  Task  1595 has        272 integration points.
  Task  1596 has        228 integration points.
  Task  1597 has        289 integration points.
  Task  1598 has        239 integration points.
  Task  1599 has        243 integration points.
  Task  1600 has        211 integration points.
  Task  1601 has        261 integration points.
  Task  1602 has        214 integration points.
  Task  1603 has        250 integration points.
  Task  1604 has        227 integration points.
  Task  1605 has        229 integration points.
  Task  1606 has        260 integration points.
  Task  1607 has        223 integration points.
  Task  1608 has        283 integration points.
  Task  1609 has        216 integration points.
  Task  1610 has        227 integration points.
  Task  1611 has        311 integration points.
  Task  1612 has        234 integration points.
  Task  1613 has        232 integration points.
  Task  1614 has        236 integration points.
  Task  1615 has        224 integration points.
  Task  1616 has        255 integration points.
  Task  1617 has        223 integration points.
  Task  1618 has        234 integration points.
  Task  1619 has        262 integration points.
  Task  1620 has        296 integration points.
  Task  1621 has        214 integration points.
  Task  1622 has        247 integration points.
  Task  1623 has        241 integration points.
  Task  1624 has        263 integration points.
  Task  1625 has        236 integration points.
  Task  1626 has        304 integration points.
  Task  1627 has        246 integration points.
  Task  1628 has        208 integration points.
  Task  1629 has        248 integration points.
  Task  1630 has        274 integration points.
  Task  1631 has        238 integration points.
  Task  1632 has        218 integration points.
  Task  1633 has        256 integration points.
  Task  1634 has        255 integration points.
  Task  1635 has        230 integration points.
  Task  1636 has        247 integration points.
  Task  1637 has        221 integration points.
  Task  1638 has        234 integration points.
  Task  1639 has        260 integration points.
  Task  1640 has        262 integration points.
  Task  1641 has        283 integration points.
  Task  1642 has        220 integration points.
  Task  1643 has        237 integration points.
  Task  1644 has        240 integration points.
  Task  1645 has        227 integration points.
  Task  1646 has        229 integration points.
  Task  1647 has        269 integration points.
  Task  1648 has        286 integration points.
  Task  1649 has        247 integration points.
  Task  1650 has        291 integration points.
  Task  1651 has        249 integration points.
  Task  1652 has        244 integration points.
  Task  1653 has        207 integration points.
  Task  1654 has        241 integration points.
  Task  1655 has        271 integration points.
  Task  1656 has        246 integration points.
  Task  1657 has        288 integration points.
  Task  1658 has        276 integration points.
  Task  1659 has        217 integration points.
  Task  1660 has        209 integration points.
  Task  1661 has        265 integration points.
  Task  1662 has        218 integration points.
  Task  1663 has        215 integration points.
  Task  1664 has        285 integration points.
  Task  1665 has        255 integration points.
  Task  1666 has        253 integration points.
  Task  1667 has        230 integration points.
  Task  1668 has        239 integration points.
  Task  1669 has        207 integration points.
  Task  1670 has        252 integration points.
  Task  1671 has        257 integration points.
  Task  1672 has        221 integration points.
  Task  1673 has        209 integration points.
  Task  1674 has        239 integration points.
  Task  1675 has        234 integration points.
  Task  1676 has        214 integration points.
  Task  1677 has        283 integration points.
  Task  1678 has        280 integration points.
  Task  1679 has        229 integration points.
  Task  1680 has        228 integration points.
  Task  1681 has        287 integration points.
  Task  1682 has        250 integration points.
  Task  1683 has        225 integration points.
  Task  1684 has        236 integration points.
  Task  1685 has        254 integration points.
  Task  1686 has        236 integration points.
  Task  1687 has        263 integration points.
  Task  1688 has        215 integration points.
  Task  1689 has        252 integration points.
  Task  1690 has        223 integration points.
  Task  1691 has        218 integration points.
  Task  1692 has        266 integration points.
  Task  1693 has        220 integration points.
  Task  1694 has        245 integration points.
  Task  1695 has        260 integration points.
  Task  1696 has        242 integration points.
  Task  1697 has        267 integration points.
  Task  1698 has        263 integration points.
  Task  1699 has        269 integration points.
  Task  1700 has        233 integration points.
  Task  1701 has        260 integration points.
  Task  1702 has        260 integration points.
  Task  1703 has        262 integration points.
  Task  1704 has        255 integration points.
  Task  1705 has        228 integration points.
  Task  1706 has        262 integration points.
  Task  1707 has        208 integration points.
  Task  1708 has        229 integration points.
  Task  1709 has        225 integration points.
  Task  1710 has        239 integration points.
  Task  1711 has        228 integration points.
  Task  1712 has        258 integration points.
  Task  1713 has        248 integration points.
  Task  1714 has        263 integration points.
  Task  1715 has        278 integration points.
  Task  1716 has        222 integration points.
  Task  1717 has        307 integration points.
  Task  1718 has        235 integration points.
  Task  1719 has        261 integration points.
  Task  1720 has        231 integration points.
  Task  1721 has        240 integration points.
  Task  1722 has        265 integration points.
  Task  1723 has        210 integration points.
  Task  1724 has        220 integration points.
  Task  1725 has        223 integration points.
  Task  1726 has        238 integration points.
  Task  1727 has        237 integration points.
  Task  1728 has        264 integration points.
  Task  1729 has        234 integration points.
  Task  1730 has        229 integration points.
  Task  1731 has        230 integration points.
  Task  1732 has        235 integration points.
  Task  1733 has        225 integration points.
  Task  1734 has        261 integration points.
  Task  1735 has        226 integration points.
  Task  1736 has        223 integration points.
  Task  1737 has        248 integration points.
  Task  1738 has        229 integration points.
  Task  1739 has        309 integration points.
  Task  1740 has        248 integration points.
  Task  1741 has        243 integration points.
  Task  1742 has        265 integration points.
  Task  1743 has        241 integration points.
  Task  1744 has        240 integration points.
  Task  1745 has        210 integration points.
  Task  1746 has        271 integration points.
  Task  1747 has        230 integration points.
  Task  1748 has        227 integration points.
  Task  1749 has        248 integration points.
  Task  1750 has        221 integration points.
  Task  1751 has        232 integration points.
  Task  1752 has        237 integration points.
  Task  1753 has        232 integration points.
  Task  1754 has        270 integration points.
  Task  1755 has        259 integration points.
  Task  1756 has        285 integration points.
  Task  1757 has        291 integration points.
  Task  1758 has        257 integration points.
  Task  1759 has        263 integration points.
  Task  1760 has        231 integration points.
  Task  1761 has        260 integration points.
  Task  1762 has        213 integration points.
  Task  1763 has        246 integration points.
  Task  1764 has        269 integration points.
  Task  1765 has        244 integration points.
  Task  1766 has        236 integration points.
  Task  1767 has        226 integration points.
  Task  1768 has        229 integration points.
  Task  1769 has        219 integration points.
  Task  1770 has        249 integration points.
  Task  1771 has        234 integration points.
  Task  1772 has        232 integration points.
  Task  1773 has        273 integration points.
  Task  1774 has        258 integration points.
  Task  1775 has        273 integration points.
  Task  1776 has        256 integration points.
  Task  1777 has        222 integration points.
  Task  1778 has        269 integration points.
  Task  1779 has        247 integration points.
  Task  1780 has        239 integration points.
  Task  1781 has        303 integration points.
  Task  1782 has        207 integration points.
  Task  1783 has        248 integration points.
  Task  1784 has        208 integration points.
  Task  1785 has        246 integration points.
  Task  1786 has        242 integration points.
  Task  1787 has        264 integration points.
  Task  1788 has        263 integration points.
  Task  1789 has        290 integration points.
  Task  1790 has        237 integration points.
  Task  1791 has        229 integration points.
  Task  1792 has        234 integration points.
  Task  1793 has        315 integration points.
  Task  1794 has        245 integration points.
  Task  1795 has        231 integration points.
  Task  1796 has        246 integration points.
  Task  1797 has        226 integration points.
  Task  1798 has        271 integration points.
  Task  1799 has        223 integration points.
  Task  1800 has        238 integration points.
  Task  1801 has        215 integration points.
  Task  1802 has        244 integration points.
  Task  1803 has        210 integration points.
  Task  1804 has        218 integration points.
  Task  1805 has        230 integration points.
  Task  1806 has        208 integration points.
  Task  1807 has        228 integration points.
  Task  1808 has        249 integration points.
  Task  1809 has        262 integration points.
  Task  1810 has        273 integration points.
  Task  1811 has        222 integration points.
  Task  1812 has        209 integration points.
  Task  1813 has        251 integration points.
  Task  1814 has        245 integration points.
  Task  1815 has        275 integration points.
  Task  1816 has        248 integration points.
  Task  1817 has        233 integration points.
  Task  1818 has        230 integration points.
  Task  1819 has        212 integration points.
  Task  1820 has        235 integration points.
  Task  1821 has        239 integration points.
  Task  1822 has        274 integration points.
  Task  1823 has        239 integration points.
  Task  1824 has        294 integration points.
  Task  1825 has        225 integration points.
  Task  1826 has        250 integration points.
  Task  1827 has        277 integration points.
  Task  1828 has        251 integration points.
  Task  1829 has        262 integration points.
  Task  1830 has        215 integration points.
  Task  1831 has        213 integration points.
  Task  1832 has        220 integration points.
  Task  1833 has        248 integration points.
  Task  1834 has        274 integration points.
  Task  1835 has        224 integration points.
  Task  1836 has        311 integration points.
  Task  1837 has        258 integration points.
  Task  1838 has        262 integration points.
  Task  1839 has        207 integration points.
  Task  1840 has        306 integration points.
  Task  1841 has        295 integration points.
  Task  1842 has        273 integration points.
  Task  1843 has        228 integration points.
  Task  1844 has        256 integration points.
  Task  1845 has        280 integration points.
  Task  1846 has        235 integration points.
  Task  1847 has        222 integration points.
  Task  1848 has        227 integration points.
  Task  1849 has        280 integration points.
  Task  1850 has        285 integration points.
  Task  1851 has        234 integration points.
  Task  1852 has        232 integration points.
  Task  1853 has        227 integration points.
  Task  1854 has        223 integration points.
  Task  1855 has        306 integration points.
  Task  1856 has        217 integration points.
  Task  1857 has        236 integration points.
  Task  1858 has        234 integration points.
  Task  1859 has        237 integration points.
  Task  1860 has        208 integration points.
  Task  1861 has        268 integration points.
  Task  1862 has        208 integration points.
  Task  1863 has        233 integration points.
  Task  1864 has        252 integration points.
  Task  1865 has        207 integration points.
  Task  1866 has        233 integration points.
  Task  1867 has        221 integration points.
  Task  1868 has        243 integration points.
  Task  1869 has        252 integration points.
  Task  1870 has        227 integration points.
  Task  1871 has        261 integration points.
  Task  1872 has        270 integration points.
  Task  1873 has        273 integration points.
  Task  1874 has        243 integration points.
  Task  1875 has        226 integration points.
  Task  1876 has        229 integration points.
  Task  1877 has        207 integration points.
  Task  1878 has        262 integration points.
  Task  1879 has        210 integration points.
  Task  1880 has        308 integration points.
  Task  1881 has        275 integration points.
  Task  1882 has        211 integration points.
  Task  1883 has        217 integration points.
  Task  1884 has        248 integration points.
  Task  1885 has        256 integration points.
  Task  1886 has        275 integration points.
  Task  1887 has        209 integration points.
  Task  1888 has        248 integration points.
  Task  1889 has        240 integration points.
  Task  1890 has        285 integration points.
  Task  1891 has        239 integration points.
  Task  1892 has        284 integration points.
  Task  1893 has        249 integration points.
  Task  1894 has        214 integration points.
  Task  1895 has        259 integration points.
  Task  1896 has        212 integration points.
  Task  1897 has        240 integration points.
  Task  1898 has        241 integration points.
  Task  1899 has        283 integration points.
  Task  1900 has        274 integration points.
  Task  1901 has        234 integration points.
  Task  1902 has        261 integration points.
  Task  1903 has        274 integration points.
  Task  1904 has        276 integration points.
  Task  1905 has        230 integration points.
  Task  1906 has        222 integration points.
  Task  1907 has        250 integration points.
  Task  1908 has        318 integration points.
  Task  1909 has        276 integration points.
  Task  1910 has        263 integration points.
  Task  1911 has        231 integration points.
  Task  1912 has        296 integration points.
  Task  1913 has        265 integration points.
  Task  1914 has        225 integration points.
  Task  1915 has        252 integration points.
  Task  1916 has        254 integration points.
  Task  1917 has        262 integration points.
  Task  1918 has        293 integration points.
  Task  1919 has        270 integration points.
  Task  1920 has        214 integration points.
  Task  1921 has        273 integration points.
  Task  1922 has        216 integration points.
  Task  1923 has        276 integration points.
  Task  1924 has        257 integration points.
  Task  1925 has        234 integration points.
  Task  1926 has        281 integration points.
  Task  1927 has        252 integration points.
  Task  1928 has        266 integration points.
  Task  1929 has        249 integration points.
  Task  1930 has        238 integration points.
  Task  1931 has        265 integration points.
  Task  1932 has        216 integration points.
  Task  1933 has        242 integration points.
  Task  1934 has        264 integration points.
  Task  1935 has        263 integration points.
  Task  1936 has        246 integration points.
  Task  1937 has        266 integration points.
  Task  1938 has        234 integration points.
  Task  1939 has        210 integration points.
  Task  1940 has        220 integration points.
  Task  1941 has        261 integration points.
  Task  1942 has        245 integration points.
  Task  1943 has        214 integration points.
  Task  1944 has        225 integration points.
  Task  1945 has        317 integration points.
  Task  1946 has        235 integration points.
  Task  1947 has        219 integration points.
  Task  1948 has        252 integration points.
  Task  1949 has        236 integration points.
  Task  1950 has        304 integration points.
  Task  1951 has        210 integration points.
  Task  1952 has        236 integration points.
  Task  1953 has        241 integration points.
  Task  1954 has        209 integration points.
  Task  1955 has        240 integration points.
  Task  1956 has        233 integration points.
  Task  1957 has        259 integration points.
  Task  1958 has        265 integration points.
  Task  1959 has        237 integration points.
  Task  1960 has        214 integration points.
  Task  1961 has        265 integration points.
  Task  1962 has        218 integration points.
  Task  1963 has        210 integration points.
  Task  1964 has        207 integration points.
  Task  1965 has        253 integration points.
  Task  1966 has        232 integration points.
  Task  1967 has        263 integration points.
  Task  1968 has        224 integration points.
  Task  1969 has        244 integration points.
  Task  1970 has        239 integration points.
  Task  1971 has        230 integration points.
  Task  1972 has        243 integration points.
  Task  1973 has        282 integration points.
  Task  1974 has        226 integration points.
  Task  1975 has        220 integration points.
  Task  1976 has        234 integration points.
  Task  1977 has        241 integration points.
  Task  1978 has        246 integration points.
  Task  1979 has        253 integration points.
  Task  1980 has        229 integration points.
  Task  1981 has        217 integration points.
  Task  1982 has        216 integration points.
  Task  1983 has        216 integration points.
  Task  1984 has        248 integration points.
  Task  1985 has        237 integration points.
  Task  1986 has        267 integration points.
  Task  1987 has        295 integration points.
  Task  1988 has        285 integration points.
  Task  1989 has        240 integration points.
  Task  1990 has        260 integration points.
  Task  1991 has        297 integration points.
  Task  1992 has        276 integration points.
  Task  1993 has        251 integration points.
  Task  1994 has        264 integration points.
  Task  1995 has        212 integration points.
  Task  1996 has        284 integration points.
  Task  1997 has        254 integration points.
  Task  1998 has        259 integration points.
  Task  1999 has        245 integration points.
  Task  2000 has        286 integration points.
  Task  2001 has        208 integration points.
  Task  2002 has        263 integration points.
  Task  2003 has        256 integration points.
  Task  2004 has        299 integration points.
  Task  2005 has        254 integration points.
  Task  2006 has        227 integration points.
  Task  2007 has        246 integration points.
  Task  2008 has        273 integration points.
  Task  2009 has        276 integration points.
  Task  2010 has        233 integration points.
  Task  2011 has        251 integration points.
  Task  2012 has        228 integration points.
  Task  2013 has        233 integration points.
  Task  2014 has        263 integration points.
  Task  2015 has        226 integration points.
  Task  2016 has        251 integration points.
  Task  2017 has        261 integration points.
  Task  2018 has        248 integration points.
  Task  2019 has        249 integration points.
  Task  2020 has        228 integration points.
  Task  2021 has        287 integration points.
  Task  2022 has        239 integration points.
  Task  2023 has        265 integration points.
  Task  2024 has        238 integration points.
  Task  2025 has        207 integration points.
  Task  2026 has        276 integration points.
  Task  2027 has        242 integration points.
  Task  2028 has        286 integration points.
  Task  2029 has        242 integration points.
  Task  2030 has        242 integration points.
  Task  2031 has        272 integration points.
  Task  2032 has        257 integration points.
  Task  2033 has        306 integration points.
  Task  2034 has        266 integration points.
  Task  2035 has        229 integration points.
  Task  2036 has        302 integration points.
  Task  2037 has        288 integration points.
  Task  2038 has        231 integration points.
  Task  2039 has        215 integration points.
  Task  2040 has        287 integration points.
  Task  2041 has        230 integration points.
  Task  2042 has        249 integration points.
  Task  2043 has        215 integration points.
  Task  2044 has        217 integration points.
  Task  2045 has        223 integration points.
  Task  2046 has        262 integration points.
  Task  2047 has        209 integration points.
  Initializing partition tables, free-atom densities, potentials, etc. across the integration grid (initialize_grid_storage).
  | initialize_grid_storage: Actual outermost partition radius vs. multipole_radius_free
  | (-- VB: in principle, multipole_radius_free should be larger, hence this output)
  | Species        1: Confinement radius =              8.000000000000000 AA, multipole_radius_free =              8.016324652127386 AA.
  | Species        1: outer_partition_radius set to              8.016324652127386 AA .
  | Species        2: Confinement radius =              6.000000000000000 AA, multipole_radius_free =              6.016333975203386 AA.
  | Species        2: outer_partition_radius set to              6.016333975203386 AA .
  | Species        3: Confinement radius =              6.000000000000000 AA, multipole_radius_free =              6.012827091137924 AA.
  | Species        3: outer_partition_radius set to              6.012827091137924 AA .
  | The sparse table of interatomic distances needs       4285.79 kbyte instead of      6351.05 kbyte of memory.
  | Net number of integration points:   506344
  | of which are non-zero points    :   414668
  | Numerical average free-atom electrostatic potential    :    -17.24601408 eV
  Renormalizing the initial density to the exact electron count on the 3D integration grid.
  | Initial density: Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0002176683
  | Charge integration error                      :       0.0002176683
  | Normalization factor for density and gradient :       0.9999996221
  Renormalizing the free-atom superposition density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0002176683
  | Charge integration error                      :       0.0002176683
  | Normalization factor for density and gradient :       0.9999996221
  Obtaining max. number of non-zero basis functions in each batch (get_n_compute_maxes).
  | Maximal number of non-zero basis functions:     1218 in task     0
  | Maximal number of non-zero basis functions:     1134 in task     1
  | Maximal number of non-zero basis functions:     1239 in task     2
  | Maximal number of non-zero basis functions:     1325 in task     3
  | Maximal number of non-zero basis functions:     1386 in task     4
  | Maximal number of non-zero basis functions:     1283 in task     5
  | Maximal number of non-zero basis functions:     1388 in task     6
  | Maximal number of non-zero basis functions:     1363 in task     7
  | Maximal number of non-zero basis functions:     1408 in task     8
  | Maximal number of non-zero basis functions:     1371 in task     9
  | Maximal number of non-zero basis functions:     1436 in task    10
  | Maximal number of non-zero basis functions:     1313 in task    11
  | Maximal number of non-zero basis functions:     1421 in task    12
  | Maximal number of non-zero basis functions:     1406 in task    13
  | Maximal number of non-zero basis functions:     1396 in task    14
  | Maximal number of non-zero basis functions:     1394 in task    15
  | Maximal number of non-zero basis functions:     1373 in task    16
  | Maximal number of non-zero basis functions:     1425 in task    17
  | Maximal number of non-zero basis functions:     1418 in task    18
  | Maximal number of non-zero basis functions:     1391 in task    19
  | Maximal number of non-zero basis functions:     1414 in task    20
  | Maximal number of non-zero basis functions:     1399 in task    21
  | Maximal number of non-zero basis functions:     1371 in task    22
  | Maximal number of non-zero basis functions:     1422 in task    23
  | Maximal number of non-zero basis functions:     1344 in task    24
  | Maximal number of non-zero basis functions:     1287 in task    25
  | Maximal number of non-zero basis functions:     1224 in task    26
  | Maximal number of non-zero basis functions:     1260 in task    27
  | Maximal number of non-zero basis functions:     1381 in task    28
  | Maximal number of non-zero basis functions:     1383 in task    29
  | Maximal number of non-zero basis functions:     1235 in task    30
  | Maximal number of non-zero basis functions:     1259 in task    31
  | Maximal number of non-zero basis functions:     1449 in task    32
  | Maximal number of non-zero basis functions:     1429 in task    33
  | Maximal number of non-zero basis functions:     1254 in task    34
  | Maximal number of non-zero basis functions:     1401 in task    35
  | Maximal number of non-zero basis functions:     1328 in task    36
  | Maximal number of non-zero basis functions:     1431 in task    37
  | Maximal number of non-zero basis functions:     1454 in task    38
  | Maximal number of non-zero basis functions:     1325 in task    39
  | Maximal number of non-zero basis functions:     1306 in task    40
  | Maximal number of non-zero basis functions:     1248 in task    41
  | Maximal number of non-zero basis functions:     1357 in task    42
  | Maximal number of non-zero basis functions:     1416 in task    43
  | Maximal number of non-zero basis functions:     1370 in task    44
  | Maximal number of non-zero basis functions:     1428 in task    45
  | Maximal number of non-zero basis functions:     1307 in task    46
  | Maximal number of non-zero basis functions:     1335 in task    47
  | Maximal number of non-zero basis functions:     1339 in task    48
  | Maximal number of non-zero basis functions:     1404 in task    49
  | Maximal number of non-zero basis functions:     1387 in task    50
  | Maximal number of non-zero basis functions:     1420 in task    51
  | Maximal number of non-zero basis functions:     1413 in task    52
  | Maximal number of non-zero basis functions:     1419 in task    53
  | Maximal number of non-zero basis functions:     1438 in task    54
  | Maximal number of non-zero basis functions:     1428 in task    55
  | Maximal number of non-zero basis functions:     1455 in task    56
  | Maximal number of non-zero basis functions:     1473 in task    57
  | Maximal number of non-zero basis functions:     1427 in task    58
  | Maximal number of non-zero basis functions:     1428 in task    59
  | Maximal number of non-zero basis functions:     1403 in task    60
  | Maximal number of non-zero basis functions:     1418 in task    61
  | Maximal number of non-zero basis functions:     1388 in task    62
  | Maximal number of non-zero basis functions:     1382 in task    63
  | Maximal number of non-zero basis functions:     1329 in task    64
  | Maximal number of non-zero basis functions:     1331 in task    65
  | Maximal number of non-zero basis functions:     1394 in task    66
  | Maximal number of non-zero basis functions:     1374 in task    67
  | Maximal number of non-zero basis functions:     1334 in task    68
  | Maximal number of non-zero basis functions:     1432 in task    69
  | Maximal number of non-zero basis functions:     1317 in task    70
  | Maximal number of non-zero basis functions:     1380 in task    71
  | Maximal number of non-zero basis functions:     1250 in task    72
  | Maximal number of non-zero basis functions:     1366 in task    73
  | Maximal number of non-zero basis functions:     1255 in task    74
  | Maximal number of non-zero basis functions:     1395 in task    75
  | Maximal number of non-zero basis functions:     1222 in task    76
  | Maximal number of non-zero basis functions:     1398 in task    77
  | Maximal number of non-zero basis functions:     1391 in task    78
  | Maximal number of non-zero basis functions:     1384 in task    79
  | Maximal number of non-zero basis functions:     1357 in task    80
  | Maximal number of non-zero basis functions:     1388 in task    81
  | Maximal number of non-zero basis functions:     1400 in task    82
  | Maximal number of non-zero basis functions:     1387 in task    83
  | Maximal number of non-zero basis functions:     1383 in task    84
  | Maximal number of non-zero basis functions:     1416 in task    85
  | Maximal number of non-zero basis functions:     1425 in task    86
  | Maximal number of non-zero basis functions:     1413 in task    87
  | Maximal number of non-zero basis functions:     1468 in task    88
  | Maximal number of non-zero basis functions:     1435 in task    89
  | Maximal number of non-zero basis functions:     1376 in task    90
  | Maximal number of non-zero basis functions:     1407 in task    91
  | Maximal number of non-zero basis functions:     1451 in task    92
  | Maximal number of non-zero basis functions:     1450 in task    93
  | Maximal number of non-zero basis functions:     1438 in task    94
  | Maximal number of non-zero basis functions:     1418 in task    95
  | Maximal number of non-zero basis functions:     1417 in task    96
  | Maximal number of non-zero basis functions:     1441 in task    97
  | Maximal number of non-zero basis functions:     1419 in task    98
  | Maximal number of non-zero basis functions:     1393 in task    99
  | Maximal number of non-zero basis functions:     1455 in task   100
  | Maximal number of non-zero basis functions:     1413 in task   101
  | Maximal number of non-zero basis functions:     1433 in task   102
  | Maximal number of non-zero basis functions:     1450 in task   103
  | Maximal number of non-zero basis functions:     1415 in task   104
  | Maximal number of non-zero basis functions:     1401 in task   105
  | Maximal number of non-zero basis functions:     1386 in task   106
  | Maximal number of non-zero basis functions:     1391 in task   107
  | Maximal number of non-zero basis functions:     1377 in task   108
  | Maximal number of non-zero basis functions:     1324 in task   109
  | Maximal number of non-zero basis functions:     1465 in task   110
  | Maximal number of non-zero basis functions:     1388 in task   111
  | Maximal number of non-zero basis functions:     1388 in task   112
  | Maximal number of non-zero basis functions:     1428 in task   113
  | Maximal number of non-zero basis functions:     1257 in task   114
  | Maximal number of non-zero basis functions:     1426 in task   115
  | Maximal number of non-zero basis functions:     1390 in task   116
  | Maximal number of non-zero basis functions:     1332 in task   117
  | Maximal number of non-zero basis functions:     1298 in task   118
  | Maximal number of non-zero basis functions:     1279 in task   119
  | Maximal number of non-zero basis functions:     1246 in task   120
  | Maximal number of non-zero basis functions:     1387 in task   121
  | Maximal number of non-zero basis functions:     1350 in task   122
  | Maximal number of non-zero basis functions:     1205 in task   123
  | Maximal number of non-zero basis functions:     1253 in task   124
  | Maximal number of non-zero basis functions:     1337 in task   125
  | Maximal number of non-zero basis functions:     1417 in task   126
  | Maximal number of non-zero basis functions:     1352 in task   127
  | Maximal number of non-zero basis functions:     1274 in task   128
  | Maximal number of non-zero basis functions:     1283 in task   129
  | Maximal number of non-zero basis functions:     1277 in task   130
  | Maximal number of non-zero basis functions:     1372 in task   131
  | Maximal number of non-zero basis functions:     1419 in task   132
  | Maximal number of non-zero basis functions:     1417 in task   133
  | Maximal number of non-zero basis functions:     1428 in task   134
  | Maximal number of non-zero basis functions:     1398 in task   135
  | Maximal number of non-zero basis functions:     1371 in task   136
  | Maximal number of non-zero basis functions:     1400 in task   137
  | Maximal number of non-zero basis functions:     1424 in task   138
  | Maximal number of non-zero basis functions:     1403 in task   139
  | Maximal number of non-zero basis functions:     1447 in task   140
  | Maximal number of non-zero basis functions:     1460 in task   141
  | Maximal number of non-zero basis functions:     1479 in task   142
  | Maximal number of non-zero basis functions:     1380 in task   143
  | Maximal number of non-zero basis functions:     1441 in task   144
  | Maximal number of non-zero basis functions:     1472 in task   145
  | Maximal number of non-zero basis functions:     1400 in task   146
  | Maximal number of non-zero basis functions:     1357 in task   147
  | Maximal number of non-zero basis functions:     1405 in task   148
  | Maximal number of non-zero basis functions:     1427 in task   149
  | Maximal number of non-zero basis functions:     1332 in task   150
  | Maximal number of non-zero basis functions:     1387 in task   151
  | Maximal number of non-zero basis functions:     1361 in task   152
  | Maximal number of non-zero basis functions:     1432 in task   153
  | Maximal number of non-zero basis functions:     1412 in task   154
  | Maximal number of non-zero basis functions:     1384 in task   155
  | Maximal number of non-zero basis functions:     1424 in task   156
  | Maximal number of non-zero basis functions:     1336 in task   157
  | Maximal number of non-zero basis functions:     1405 in task   158
  | Maximal number of non-zero basis functions:     1355 in task   159
  | Maximal number of non-zero basis functions:     1343 in task   160
  | Maximal number of non-zero basis functions:     1254 in task   161
  | Maximal number of non-zero basis functions:     1349 in task   162
  | Maximal number of non-zero basis functions:     1366 in task   163
  | Maximal number of non-zero basis functions:     1392 in task   164
  | Maximal number of non-zero basis functions:     1416 in task   165
  | Maximal number of non-zero basis functions:     1402 in task   166
  | Maximal number of non-zero basis functions:     1396 in task   167
  | Maximal number of non-zero basis functions:     1405 in task   168
  | Maximal number of non-zero basis functions:     1409 in task   169
  | Maximal number of non-zero basis functions:     1418 in task   170
  | Maximal number of non-zero basis functions:     1489 in task   171
  | Maximal number of non-zero basis functions:     1527 in task   172
  | Maximal number of non-zero basis functions:     1420 in task   173
  | Maximal number of non-zero basis functions:     1425 in task   174
  | Maximal number of non-zero basis functions:     1398 in task   175
  | Maximal number of non-zero basis functions:     1449 in task   176
  | Maximal number of non-zero basis functions:     1493 in task   177
  | Maximal number of non-zero basis functions:     1460 in task   178
  | Maximal number of non-zero basis functions:     1365 in task   179
  | Maximal number of non-zero basis functions:     1360 in task   180
  | Maximal number of non-zero basis functions:     1386 in task   181
  | Maximal number of non-zero basis functions:     1346 in task   182
  | Maximal number of non-zero basis functions:     1374 in task   183
  | Maximal number of non-zero basis functions:     1383 in task   184
  | Maximal number of non-zero basis functions:     1372 in task   185
  | Maximal number of non-zero basis functions:     1333 in task   186
  | Maximal number of non-zero basis functions:     1347 in task   187
  | Maximal number of non-zero basis functions:     1326 in task   188
  | Maximal number of non-zero basis functions:     1405 in task   189
  | Maximal number of non-zero basis functions:     1299 in task   190
  | Maximal number of non-zero basis functions:     1413 in task   191
  | Maximal number of non-zero basis functions:     1339 in task   192
  | Maximal number of non-zero basis functions:     1358 in task   193
  | Maximal number of non-zero basis functions:     1410 in task   194
  | Maximal number of non-zero basis functions:     1332 in task   195
  | Maximal number of non-zero basis functions:     1401 in task   196
  | Maximal number of non-zero basis functions:     1439 in task   197
  | Maximal number of non-zero basis functions:     1391 in task   198
  | Maximal number of non-zero basis functions:     1432 in task   199
  | Maximal number of non-zero basis functions:     1306 in task   200
  | Maximal number of non-zero basis functions:     1413 in task   201
  | Maximal number of non-zero basis functions:     1386 in task   202
  | Maximal number of non-zero basis functions:     1186 in task   203
  | Maximal number of non-zero basis functions:     1312 in task   204
  | Maximal number of non-zero basis functions:     1389 in task   205
  | Maximal number of non-zero basis functions:     1443 in task   206
  | Maximal number of non-zero basis functions:     1543 in task   207
  | Maximal number of non-zero basis functions:     1278 in task   208
  | Maximal number of non-zero basis functions:     1375 in task   209
  | Maximal number of non-zero basis functions:     1306 in task   210
  | Maximal number of non-zero basis functions:     1338 in task   211
  | Maximal number of non-zero basis functions:     1338 in task   212
  | Maximal number of non-zero basis functions:     1446 in task   213
  | Maximal number of non-zero basis functions:     1420 in task   214
  | Maximal number of non-zero basis functions:     1303 in task   215
  | Maximal number of non-zero basis functions:     1384 in task   216
  | Maximal number of non-zero basis functions:     1410 in task   217
  | Maximal number of non-zero basis functions:     1349 in task   218
  | Maximal number of non-zero basis functions:     1234 in task   219
  | Maximal number of non-zero basis functions:     1324 in task   220
  | Maximal number of non-zero basis functions:     1483 in task   221
  | Maximal number of non-zero basis functions:     1390 in task   222
  | Maximal number of non-zero basis functions:     1273 in task   223
  | Maximal number of non-zero basis functions:     1395 in task   224
  | Maximal number of non-zero basis functions:     1407 in task   225
  | Maximal number of non-zero basis functions:     1354 in task   226
  | Maximal number of non-zero basis functions:     1302 in task   227
  | Maximal number of non-zero basis functions:     1288 in task   228
  | Maximal number of non-zero basis functions:     1493 in task   229
  | Maximal number of non-zero basis functions:     1404 in task   230
  | Maximal number of non-zero basis functions:     1264 in task   231
  | Maximal number of non-zero basis functions:     1362 in task   232
  | Maximal number of non-zero basis functions:     1286 in task   233
  | Maximal number of non-zero basis functions:     1308 in task   234
  | Maximal number of non-zero basis functions:     1358 in task   235
  | Maximal number of non-zero basis functions:     1336 in task   236
  | Maximal number of non-zero basis functions:     1337 in task   237
  | Maximal number of non-zero basis functions:     1429 in task   238
  | Maximal number of non-zero basis functions:     1404 in task   239
  | Maximal number of non-zero basis functions:     1413 in task   240
  | Maximal number of non-zero basis functions:     1460 in task   241
  | Maximal number of non-zero basis functions:     1450 in task   242
  | Maximal number of non-zero basis functions:     1443 in task   243
  | Maximal number of non-zero basis functions:     1433 in task   244
  | Maximal number of non-zero basis functions:     1371 in task   245
  | Maximal number of non-zero basis functions:     1468 in task   246
  | Maximal number of non-zero basis functions:     1361 in task   247
  | Maximal number of non-zero basis functions:     1467 in task   248
  | Maximal number of non-zero basis functions:     1428 in task   249
  | Maximal number of non-zero basis functions:     1431 in task   250
  | Maximal number of non-zero basis functions:     1298 in task   251
  | Maximal number of non-zero basis functions:     1343 in task   252
  | Maximal number of non-zero basis functions:     1337 in task   253
  | Maximal number of non-zero basis functions:     1425 in task   254
  | Maximal number of non-zero basis functions:     1384 in task   255
  | Maximal number of non-zero basis functions:     1396 in task   256
  | Maximal number of non-zero basis functions:     1398 in task   257
  | Maximal number of non-zero basis functions:     1380 in task   258
  | Maximal number of non-zero basis functions:     1383 in task   259
  | Maximal number of non-zero basis functions:     1380 in task   260
  | Maximal number of non-zero basis functions:     1380 in task   261
  | Maximal number of non-zero basis functions:     1478 in task   262
  | Maximal number of non-zero basis functions:     1386 in task   263
  | Maximal number of non-zero basis functions:     1401 in task   264
  | Maximal number of non-zero basis functions:     1395 in task   265
  | Maximal number of non-zero basis functions:     1403 in task   266
  | Maximal number of non-zero basis functions:     1436 in task   267
  | Maximal number of non-zero basis functions:     1434 in task   268
  | Maximal number of non-zero basis functions:     1419 in task   269
  | Maximal number of non-zero basis functions:     1391 in task   270
  | Maximal number of non-zero basis functions:     1435 in task   271
  | Maximal number of non-zero basis functions:     1365 in task   272
  | Maximal number of non-zero basis functions:     1431 in task   273
  | Maximal number of non-zero basis functions:     1424 in task   274
  | Maximal number of non-zero basis functions:     1380 in task   275
  | Maximal number of non-zero basis functions:     1413 in task   276
  | Maximal number of non-zero basis functions:     1338 in task   277
  | Maximal number of non-zero basis functions:     1410 in task   278
  | Maximal number of non-zero basis functions:     1410 in task   279
  | Maximal number of non-zero basis functions:     1294 in task   280
  | Maximal number of non-zero basis functions:     1212 in task   281
  | Maximal number of non-zero basis functions:     1410 in task   282
  | Maximal number of non-zero basis functions:     1421 in task   283
  | Maximal number of non-zero basis functions:     1255 in task   284
  | Maximal number of non-zero basis functions:     1210 in task   285
  | Maximal number of non-zero basis functions:     1307 in task   286
  | Maximal number of non-zero basis functions:     1382 in task   287
  | Maximal number of non-zero basis functions:     1331 in task   288
  | Maximal number of non-zero basis functions:     1259 in task   289
  | Maximal number of non-zero basis functions:     1335 in task   290
  | Maximal number of non-zero basis functions:     1402 in task   291
  | Maximal number of non-zero basis functions:     1387 in task   292
  | Maximal number of non-zero basis functions:     1285 in task   293
  | Maximal number of non-zero basis functions:     1273 in task   294
  | Maximal number of non-zero basis functions:     1408 in task   295
  | Maximal number of non-zero basis functions:     1252 in task   296
  | Maximal number of non-zero basis functions:     1370 in task   297
  | Maximal number of non-zero basis functions:     1401 in task   298
  | Maximal number of non-zero basis functions:     1382 in task   299
  | Maximal number of non-zero basis functions:     1424 in task   300
  | Maximal number of non-zero basis functions:     1430 in task   301
  | Maximal number of non-zero basis functions:     1450 in task   302
  | Maximal number of non-zero basis functions:     1398 in task   303
  | Maximal number of non-zero basis functions:     1383 in task   304
  | Maximal number of non-zero basis functions:     1416 in task   305
  | Maximal number of non-zero basis functions:     1425 in task   306
  | Maximal number of non-zero basis functions:     1413 in task   307
  | Maximal number of non-zero basis functions:     1468 in task   308
  | Maximal number of non-zero basis functions:     1435 in task   309
  | Maximal number of non-zero basis functions:     1359 in task   310
  | Maximal number of non-zero basis functions:     1419 in task   311
  | Maximal number of non-zero basis functions:     1451 in task   312
  | Maximal number of non-zero basis functions:     1450 in task   313
  | Maximal number of non-zero basis functions:     1438 in task   314
  | Maximal number of non-zero basis functions:     1449 in task   315
  | Maximal number of non-zero basis functions:     1400 in task   316
  | Maximal number of non-zero basis functions:     1404 in task   317
  | Maximal number of non-zero basis functions:     1419 in task   318
  | Maximal number of non-zero basis functions:     1393 in task   319
  | Maximal number of non-zero basis functions:     1391 in task   320
  | Maximal number of non-zero basis functions:     1413 in task   321
  | Maximal number of non-zero basis functions:     1433 in task   322
  | Maximal number of non-zero basis functions:     1487 in task   323
  | Maximal number of non-zero basis functions:     1410 in task   324
  | Maximal number of non-zero basis functions:     1401 in task   325
  | Maximal number of non-zero basis functions:     1408 in task   326
  | Maximal number of non-zero basis functions:     1391 in task   327
  | Maximal number of non-zero basis functions:     1301 in task   328
  | Maximal number of non-zero basis functions:     1312 in task   329
  | Maximal number of non-zero basis functions:     1426 in task   330
  | Maximal number of non-zero basis functions:     1263 in task   331
  | Maximal number of non-zero basis functions:     1410 in task   332
  | Maximal number of non-zero basis functions:     1272 in task   333
  | Maximal number of non-zero basis functions:     1259 in task   334
  | Maximal number of non-zero basis functions:     1387 in task   335
  | Maximal number of non-zero basis functions:     1264 in task   336
  | Maximal number of non-zero basis functions:     1358 in task   337
  | Maximal number of non-zero basis functions:     1313 in task   338
  | Maximal number of non-zero basis functions:     1380 in task   339
  | Maximal number of non-zero basis functions:     1365 in task   340
  | Maximal number of non-zero basis functions:     1301 in task   341
  | Maximal number of non-zero basis functions:     1384 in task   342
  | Maximal number of non-zero basis functions:     1454 in task   343
  | Maximal number of non-zero basis functions:     1307 in task   344
  | Maximal number of non-zero basis functions:     1335 in task   345
  | Maximal number of non-zero basis functions:     1339 in task   346
  | Maximal number of non-zero basis functions:     1404 in task   347
  | Maximal number of non-zero basis functions:     1408 in task   348
  | Maximal number of non-zero basis functions:     1420 in task   349
  | Maximal number of non-zero basis functions:     1413 in task   350
  | Maximal number of non-zero basis functions:     1438 in task   351
  | Maximal number of non-zero basis functions:     1438 in task   352
  | Maximal number of non-zero basis functions:     1428 in task   353
  | Maximal number of non-zero basis functions:     1455 in task   354
  | Maximal number of non-zero basis functions:     1473 in task   355
  | Maximal number of non-zero basis functions:     1427 in task   356
  | Maximal number of non-zero basis functions:     1441 in task   357
  | Maximal number of non-zero basis functions:     1403 in task   358
  | Maximal number of non-zero basis functions:     1418 in task   359
  | Maximal number of non-zero basis functions:     1420 in task   360
  | Maximal number of non-zero basis functions:     1382 in task   361
  | Maximal number of non-zero basis functions:     1430 in task   362
  | Maximal number of non-zero basis functions:     1331 in task   363
  | Maximal number of non-zero basis functions:     1403 in task   364
  | Maximal number of non-zero basis functions:     1374 in task   365
  | Maximal number of non-zero basis functions:     1347 in task   366
  | Maximal number of non-zero basis functions:     1264 in task   367
  | Maximal number of non-zero basis functions:     1451 in task   368
  | Maximal number of non-zero basis functions:     1433 in task   369
  | Maximal number of non-zero basis functions:     1288 in task   370
  | Maximal number of non-zero basis functions:     1356 in task   371
  | Maximal number of non-zero basis functions:     1322 in task   372
  | Maximal number of non-zero basis functions:     1359 in task   373
  | Maximal number of non-zero basis functions:     1261 in task   374
  | Maximal number of non-zero basis functions:     1328 in task   375
  | Maximal number of non-zero basis functions:     1438 in task   376
  | Maximal number of non-zero basis functions:     1170 in task   377
  | Maximal number of non-zero basis functions:     1285 in task   378
  | Maximal number of non-zero basis functions:     1360 in task   379
  | Maximal number of non-zero basis functions:     1309 in task   380
  | Maximal number of non-zero basis functions:     1437 in task   381
  | Maximal number of non-zero basis functions:     1421 in task   382
  | Maximal number of non-zero basis functions:     1420 in task   383
  | Maximal number of non-zero basis functions:     1405 in task   384
  | Maximal number of non-zero basis functions:     1277 in task   385
  | Maximal number of non-zero basis functions:     1382 in task   386
  | Maximal number of non-zero basis functions:     1347 in task   387
  | Maximal number of non-zero basis functions:     1382 in task   388
  | Maximal number of non-zero basis functions:     1400 in task   389
  | Maximal number of non-zero basis functions:     1472 in task   390
  | Maximal number of non-zero basis functions:     1421 in task   391
  | Maximal number of non-zero basis functions:     1372 in task   392
  | Maximal number of non-zero basis functions:     1440 in task   393
  | Maximal number of non-zero basis functions:     1432 in task   394
  | Maximal number of non-zero basis functions:     1405 in task   395
  | Maximal number of non-zero basis functions:     1420 in task   396
  | Maximal number of non-zero basis functions:     1390 in task   397
  | Maximal number of non-zero basis functions:     1396 in task   398
  | Maximal number of non-zero basis functions:     1354 in task   399
  | Maximal number of non-zero basis functions:     1412 in task   400
  | Maximal number of non-zero basis functions:     1367 in task   401
  | Maximal number of non-zero basis functions:     1362 in task   402
  | Maximal number of non-zero basis functions:     1286 in task   403
  | Maximal number of non-zero basis functions:     1282 in task   404
  | Maximal number of non-zero basis functions:     1230 in task   405
  | Maximal number of non-zero basis functions:     1214 in task   406
  | Maximal number of non-zero basis functions:     1266 in task   407
  | Maximal number of non-zero basis functions:     1235 in task   408
  | Maximal number of non-zero basis functions:     1373 in task   409
  | Maximal number of non-zero basis functions:     1321 in task   410
  | Maximal number of non-zero basis functions:     1263 in task   411
  | Maximal number of non-zero basis functions:     1332 in task   412
  | Maximal number of non-zero basis functions:     1172 in task   413
  | Maximal number of non-zero basis functions:     1331 in task   414
  | Maximal number of non-zero basis functions:     1435 in task   415
  | Maximal number of non-zero basis functions:     1250 in task   416
  | Maximal number of non-zero basis functions:     1308 in task   417
  | Maximal number of non-zero basis functions:     1337 in task   418
  | Maximal number of non-zero basis functions:     1329 in task   419
  | Maximal number of non-zero basis functions:     1248 in task   420
  | Maximal number of non-zero basis functions:     1251 in task   421
  | Maximal number of non-zero basis functions:     1214 in task   422
  | Maximal number of non-zero basis functions:     1306 in task   423
  | Maximal number of non-zero basis functions:     1400 in task   424
  | Maximal number of non-zero basis functions:     1324 in task   425
  | Maximal number of non-zero basis functions:     1358 in task   426
  | Maximal number of non-zero basis functions:     1455 in task   427
  | Maximal number of non-zero basis functions:     1409 in task   428
  | Maximal number of non-zero basis functions:     1433 in task   429
  | Maximal number of non-zero basis functions:     1403 in task   430
  | Maximal number of non-zero basis functions:     1336 in task   431
  | Maximal number of non-zero basis functions:     1436 in task   432
  | Maximal number of non-zero basis functions:     1366 in task   433
  | Maximal number of non-zero basis functions:     1386 in task   434
  | Maximal number of non-zero basis functions:     1395 in task   435
  | Maximal number of non-zero basis functions:     1398 in task   436
  | Maximal number of non-zero basis functions:     1363 in task   437
  | Maximal number of non-zero basis functions:     1386 in task   438
  | Maximal number of non-zero basis functions:     1417 in task   439
  | Maximal number of non-zero basis functions:     1356 in task   440
  | Maximal number of non-zero basis functions:     1425 in task   441
  | Maximal number of non-zero basis functions:     1343 in task   442
  | Maximal number of non-zero basis functions:     1314 in task   443
  | Maximal number of non-zero basis functions:     1372 in task   444
  | Maximal number of non-zero basis functions:     1369 in task   445
  | Maximal number of non-zero basis functions:     1321 in task   446
  | Maximal number of non-zero basis functions:     1303 in task   447
  | Maximal number of non-zero basis functions:     1393 in task   448
  | Maximal number of non-zero basis functions:     1340 in task   449
  | Maximal number of non-zero basis functions:     1431 in task   450
  | Maximal number of non-zero basis functions:     1372 in task   451
  | Maximal number of non-zero basis functions:     1246 in task   452
  | Maximal number of non-zero basis functions:     1445 in task   453
  | Maximal number of non-zero basis functions:     1450 in task   454
  | Maximal number of non-zero basis functions:     1418 in task   455
  | Maximal number of non-zero basis functions:     1393 in task   456
  | Maximal number of non-zero basis functions:     1427 in task   457
  | Maximal number of non-zero basis functions:     1307 in task   458
  | Maximal number of non-zero basis functions:     1273 in task   459
  | Maximal number of non-zero basis functions:     1281 in task   460
  | Maximal number of non-zero basis functions:     1369 in task   461
  | Maximal number of non-zero basis functions:     1382 in task   462
  | Maximal number of non-zero basis functions:     1478 in task   463
  | Maximal number of non-zero basis functions:     1355 in task   464
  | Maximal number of non-zero basis functions:     1324 in task   465
  | Maximal number of non-zero basis functions:     1295 in task   466
  | Maximal number of non-zero basis functions:     1381 in task   467
  | Maximal number of non-zero basis functions:     1364 in task   468
  | Maximal number of non-zero basis functions:     1291 in task   469
  | Maximal number of non-zero basis functions:     1320 in task   470
  | Maximal number of non-zero basis functions:     1350 in task   471
  | Maximal number of non-zero basis functions:     1320 in task   472
  | Maximal number of non-zero basis functions:     1288 in task   473
  | Maximal number of non-zero basis functions:     1374 in task   474
  | Maximal number of non-zero basis functions:     1374 in task   475
  | Maximal number of non-zero basis functions:     1424 in task   476
  | Maximal number of non-zero basis functions:     1414 in task   477
  | Maximal number of non-zero basis functions:     1418 in task   478
  | Maximal number of non-zero basis functions:     1395 in task   479
  | Maximal number of non-zero basis functions:     1427 in task   480
  | Maximal number of non-zero basis functions:     1414 in task   481
  | Maximal number of non-zero basis functions:     1438 in task   482
  | Maximal number of non-zero basis functions:     1375 in task   483
  | Maximal number of non-zero basis functions:     1433 in task   484
  | Maximal number of non-zero basis functions:     1395 in task   485
  | Maximal number of non-zero basis functions:     1394 in task   486
  | Maximal number of non-zero basis functions:     1396 in task   487
  | Maximal number of non-zero basis functions:     1427 in task   488
  | Maximal number of non-zero basis functions:     1378 in task   489
  | Maximal number of non-zero basis functions:     1388 in task   490
  | Maximal number of non-zero basis functions:     1353 in task   491
  | Maximal number of non-zero basis functions:     1370 in task   492
  | Maximal number of non-zero basis functions:     1386 in task   493
  | Maximal number of non-zero basis functions:     1395 in task   494
  | Maximal number of non-zero basis functions:     1369 in task   495
  | Maximal number of non-zero basis functions:     1310 in task   496
  | Maximal number of non-zero basis functions:     1305 in task   497
  | Maximal number of non-zero basis functions:     1383 in task   498
  | Maximal number of non-zero basis functions:     1425 in task   499
  | Maximal number of non-zero basis functions:     1433 in task   500
  | Maximal number of non-zero basis functions:     1425 in task   501
  | Maximal number of non-zero basis functions:     1344 in task   502
  | Maximal number of non-zero basis functions:     1330 in task   503
  | Maximal number of non-zero basis functions:     1315 in task   504
  | Maximal number of non-zero basis functions:     1425 in task   505
  | Maximal number of non-zero basis functions:     1396 in task   506
  | Maximal number of non-zero basis functions:     1326 in task   507
  | Maximal number of non-zero basis functions:     1374 in task   508
  | Maximal number of non-zero basis functions:     1384 in task   509
  | Maximal number of non-zero basis functions:     1427 in task   510
  | Maximal number of non-zero basis functions:     1403 in task   511
  | Maximal number of non-zero basis functions:     1405 in task   512
  | Maximal number of non-zero basis functions:     1405 in task   513
  | Maximal number of non-zero basis functions:     1483 in task   514
  | Maximal number of non-zero basis functions:     1365 in task   515
  | Maximal number of non-zero basis functions:     1427 in task   516
  | Maximal number of non-zero basis functions:     1376 in task   517
  | Maximal number of non-zero basis functions:     1418 in task   518
  | Maximal number of non-zero basis functions:     1432 in task   519
  | Maximal number of non-zero basis functions:     1395 in task   520
  | Maximal number of non-zero basis functions:     1428 in task   521
  | Maximal number of non-zero basis functions:     1427 in task   522
  | Maximal number of non-zero basis functions:     1424 in task   523
  | Maximal number of non-zero basis functions:     1429 in task   524
  | Maximal number of non-zero basis functions:     1408 in task   525
  | Maximal number of non-zero basis functions:     1383 in task   526
  | Maximal number of non-zero basis functions:     1420 in task   527
  | Maximal number of non-zero basis functions:     1318 in task   528
  | Maximal number of non-zero basis functions:     1429 in task   529
  | Maximal number of non-zero basis functions:     1265 in task   530
  | Maximal number of non-zero basis functions:     1445 in task   531
  | Maximal number of non-zero basis functions:     1420 in task   532
  | Maximal number of non-zero basis functions:     1381 in task   533
  | Maximal number of non-zero basis functions:     1436 in task   534
  | Maximal number of non-zero basis functions:     1371 in task   535
  | Maximal number of non-zero basis functions:     1318 in task   536
  | Maximal number of non-zero basis functions:     1407 in task   537
  | Maximal number of non-zero basis functions:     1331 in task   538
  | Maximal number of non-zero basis functions:     1339 in task   539
  | Maximal number of non-zero basis functions:     1363 in task   540
  | Maximal number of non-zero basis functions:     1423 in task   541
  | Maximal number of non-zero basis functions:     1363 in task   542
  | Maximal number of non-zero basis functions:     1352 in task   543
  | Maximal number of non-zero basis functions:     1388 in task   544
  | Maximal number of non-zero basis functions:     1420 in task   545
  | Maximal number of non-zero basis functions:     1397 in task   546
  | Maximal number of non-zero basis functions:     1410 in task   547
  | Maximal number of non-zero basis functions:     1479 in task   548
  | Maximal number of non-zero basis functions:     1461 in task   549
  | Maximal number of non-zero basis functions:     1431 in task   550
  | Maximal number of non-zero basis functions:     1376 in task   551
  | Maximal number of non-zero basis functions:     1380 in task   552
  | Maximal number of non-zero basis functions:     1408 in task   553
  | Maximal number of non-zero basis functions:     1401 in task   554
  | Maximal number of non-zero basis functions:     1424 in task   555
  | Maximal number of non-zero basis functions:     1400 in task   556
  | Maximal number of non-zero basis functions:     1413 in task   557
  | Maximal number of non-zero basis functions:     1380 in task   558
  | Maximal number of non-zero basis functions:     1337 in task   559
  | Maximal number of non-zero basis functions:     1428 in task   560
  | Maximal number of non-zero basis functions:     1436 in task   561
  | Maximal number of non-zero basis functions:     1400 in task   562
  | Maximal number of non-zero basis functions:     1359 in task   563
  | Maximal number of non-zero basis functions:     1441 in task   564
  | Maximal number of non-zero basis functions:     1268 in task   565
  | Maximal number of non-zero basis functions:     1377 in task   566
  | Maximal number of non-zero basis functions:     1441 in task   567
  | Maximal number of non-zero basis functions:     1294 in task   568
  | Maximal number of non-zero basis functions:     1277 in task   569
  | Maximal number of non-zero basis functions:     1318 in task   570
  | Maximal number of non-zero basis functions:     1411 in task   571
  | Maximal number of non-zero basis functions:     1353 in task   572
  | Maximal number of non-zero basis functions:     1308 in task   573
  | Maximal number of non-zero basis functions:     1315 in task   574
  | Maximal number of non-zero basis functions:     1431 in task   575
  | Maximal number of non-zero basis functions:     1424 in task   576
  | Maximal number of non-zero basis functions:     1385 in task   577
  | Maximal number of non-zero basis functions:     1185 in task   578
  | Maximal number of non-zero basis functions:     1414 in task   579
  | Maximal number of non-zero basis functions:     1377 in task   580
  | Maximal number of non-zero basis functions:     1309 in task   581
  | Maximal number of non-zero basis functions:     1418 in task   582
  | Maximal number of non-zero basis functions:     1472 in task   583
  | Maximal number of non-zero basis functions:     1366 in task   584
  | Maximal number of non-zero basis functions:     1371 in task   585
  | Maximal number of non-zero basis functions:     1316 in task   586
  | Maximal number of non-zero basis functions:     1395 in task   587
  | Maximal number of non-zero basis functions:     1422 in task   588
  | Maximal number of non-zero basis functions:     1217 in task   589
  | Maximal number of non-zero basis functions:     1358 in task   590
  | Maximal number of non-zero basis functions:     1374 in task   591
  | Maximal number of non-zero basis functions:     1396 in task   592
  | Maximal number of non-zero basis functions:     1397 in task   593
  | Maximal number of non-zero basis functions:     1318 in task   594
  | Maximal number of non-zero basis functions:     1383 in task   595
  | Maximal number of non-zero basis functions:     1404 in task   596
  | Maximal number of non-zero basis functions:     1359 in task   597
  | Maximal number of non-zero basis functions:     1408 in task   598
  | Maximal number of non-zero basis functions:     1374 in task   599
  | Maximal number of non-zero basis functions:     1392 in task   600
  | Maximal number of non-zero basis functions:     1362 in task   601
  | Maximal number of non-zero basis functions:     1381 in task   602
  | Maximal number of non-zero basis functions:     1403 in task   603
  | Maximal number of non-zero basis functions:     1406 in task   604
  | Maximal number of non-zero basis functions:     1459 in task   605
  | Maximal number of non-zero basis functions:     1447 in task   606
  | Maximal number of non-zero basis functions:     1421 in task   607
  | Maximal number of non-zero basis functions:     1443 in task   608
  | Maximal number of non-zero basis functions:     1364 in task   609
  | Maximal number of non-zero basis functions:     1391 in task   610
  | Maximal number of non-zero basis functions:     1326 in task   611
  | Maximal number of non-zero basis functions:     1341 in task   612
  | Maximal number of non-zero basis functions:     1333 in task   613
  | Maximal number of non-zero basis functions:     1288 in task   614
  | Maximal number of non-zero basis functions:     1358 in task   615
  | Maximal number of non-zero basis functions:     1324 in task   616
  | Maximal number of non-zero basis functions:     1273 in task   617
  | Maximal number of non-zero basis functions:     1387 in task   618
  | Maximal number of non-zero basis functions:     1344 in task   619
  | Maximal number of non-zero basis functions:     1366 in task   620
  | Maximal number of non-zero basis functions:     1408 in task   621
  | Maximal number of non-zero basis functions:     1445 in task   622
  | Maximal number of non-zero basis functions:     1383 in task   623
  | Maximal number of non-zero basis functions:     1351 in task   624
  | Maximal number of non-zero basis functions:     1452 in task   625
  | Maximal number of non-zero basis functions:     1373 in task   626
  | Maximal number of non-zero basis functions:     1340 in task   627
  | Maximal number of non-zero basis functions:     1360 in task   628
  | Maximal number of non-zero basis functions:     1415 in task   629
  | Maximal number of non-zero basis functions:     1384 in task   630
  | Maximal number of non-zero basis functions:     1396 in task   631
  | Maximal number of non-zero basis functions:     1414 in task   632
  | Maximal number of non-zero basis functions:     1427 in task   633
  | Maximal number of non-zero basis functions:     1394 in task   634
  | Maximal number of non-zero basis functions:     1443 in task   635
  | Maximal number of non-zero basis functions:     1398 in task   636
  | Maximal number of non-zero basis functions:     1363 in task   637
  | Maximal number of non-zero basis functions:     1264 in task   638
  | Maximal number of non-zero basis functions:     1299 in task   639
  | Maximal number of non-zero basis functions:     1446 in task   640
  | Maximal number of non-zero basis functions:     1334 in task   641
  | Maximal number of non-zero basis functions:     1394 in task   642
  | Maximal number of non-zero basis functions:     1352 in task   643
  | Maximal number of non-zero basis functions:     1387 in task   644
  | Maximal number of non-zero basis functions:     1370 in task   645
  | Maximal number of non-zero basis functions:     1338 in task   646
  | Maximal number of non-zero basis functions:     1381 in task   647
  | Maximal number of non-zero basis functions:     1375 in task   648
  | Maximal number of non-zero basis functions:     1358 in task   649
  | Maximal number of non-zero basis functions:     1386 in task   650
  | Maximal number of non-zero basis functions:     1391 in task   651
  | Maximal number of non-zero basis functions:     1384 in task   652
  | Maximal number of non-zero basis functions:     1428 in task   653
  | Maximal number of non-zero basis functions:     1268 in task   654
  | Maximal number of non-zero basis functions:     1425 in task   655
  | Maximal number of non-zero basis functions:     1395 in task   656
  | Maximal number of non-zero basis functions:     1434 in task   657
  | Maximal number of non-zero basis functions:     1395 in task   658
  | Maximal number of non-zero basis functions:     1415 in task   659
  | Maximal number of non-zero basis functions:     1437 in task   660
  | Maximal number of non-zero basis functions:     1408 in task   661
  | Maximal number of non-zero basis functions:     1279 in task   662
  | Maximal number of non-zero basis functions:     1370 in task   663
  | Maximal number of non-zero basis functions:     1414 in task   664
  | Maximal number of non-zero basis functions:     1357 in task   665
  | Maximal number of non-zero basis functions:     1374 in task   666
  | Maximal number of non-zero basis functions:     1365 in task   667
  | Maximal number of non-zero basis functions:     1434 in task   668
  | Maximal number of non-zero basis functions:     1435 in task   669
  | Maximal number of non-zero basis functions:     1377 in task   670
  | Maximal number of non-zero basis functions:     1366 in task   671
  | Maximal number of non-zero basis functions:     1428 in task   672
  | Maximal number of non-zero basis functions:     1410 in task   673
  | Maximal number of non-zero basis functions:     1365 in task   674
  | Maximal number of non-zero basis functions:     1397 in task   675
  | Maximal number of non-zero basis functions:     1362 in task   676
  | Maximal number of non-zero basis functions:     1424 in task   677
  | Maximal number of non-zero basis functions:     1414 in task   678
  | Maximal number of non-zero basis functions:     1338 in task   679
  | Maximal number of non-zero basis functions:     1401 in task   680
  | Maximal number of non-zero basis functions:     1372 in task   681
  | Maximal number of non-zero basis functions:     1385 in task   682
  | Maximal number of non-zero basis functions:     1472 in task   683
  | Maximal number of non-zero basis functions:     1441 in task   684
  | Maximal number of non-zero basis functions:     1431 in task   685
  | Maximal number of non-zero basis functions:     1405 in task   686
  | Maximal number of non-zero basis functions:     1381 in task   687
  | Maximal number of non-zero basis functions:     1421 in task   688
  | Maximal number of non-zero basis functions:     1369 in task   689
  | Maximal number of non-zero basis functions:     1322 in task   690
  | Maximal number of non-zero basis functions:     1404 in task   691
  | Maximal number of non-zero basis functions:     1289 in task   692
  | Maximal number of non-zero basis functions:     1328 in task   693
  | Maximal number of non-zero basis functions:     1435 in task   694
  | Maximal number of non-zero basis functions:     1383 in task   695
  | Maximal number of non-zero basis functions:     1397 in task   696
  | Maximal number of non-zero basis functions:     1345 in task   697
  | Maximal number of non-zero basis functions:     1336 in task   698
  | Maximal number of non-zero basis functions:     1436 in task   699
  | Maximal number of non-zero basis functions:     1400 in task   700
  | Maximal number of non-zero basis functions:     1304 in task   701
  | Maximal number of non-zero basis functions:     1315 in task   702
  | Maximal number of non-zero basis functions:     1335 in task   703
  | Maximal number of non-zero basis functions:     1452 in task   704
  | Maximal number of non-zero basis functions:     1340 in task   705
  | Maximal number of non-zero basis functions:     1374 in task   706
  | Maximal number of non-zero basis functions:     1384 in task   707
  | Maximal number of non-zero basis functions:     1424 in task   708
  | Maximal number of non-zero basis functions:     1403 in task   709
  | Maximal number of non-zero basis functions:     1405 in task   710
  | Maximal number of non-zero basis functions:     1424 in task   711
  | Maximal number of non-zero basis functions:     1404 in task   712
  | Maximal number of non-zero basis functions:     1365 in task   713
  | Maximal number of non-zero basis functions:     1427 in task   714
  | Maximal number of non-zero basis functions:     1376 in task   715
  | Maximal number of non-zero basis functions:     1418 in task   716
  | Maximal number of non-zero basis functions:     1409 in task   717
  | Maximal number of non-zero basis functions:     1395 in task   718
  | Maximal number of non-zero basis functions:     1452 in task   719
  | Maximal number of non-zero basis functions:     1427 in task   720
  | Maximal number of non-zero basis functions:     1424 in task   721
  | Maximal number of non-zero basis functions:     1429 in task   722
  | Maximal number of non-zero basis functions:     1408 in task   723
  | Maximal number of non-zero basis functions:     1383 in task   724
  | Maximal number of non-zero basis functions:     1360 in task   725
  | Maximal number of non-zero basis functions:     1318 in task   726
  | Maximal number of non-zero basis functions:     1429 in task   727
  | Maximal number of non-zero basis functions:     1344 in task   728
  | Maximal number of non-zero basis functions:     1339 in task   729
  | Maximal number of non-zero basis functions:     1289 in task   730
  | Maximal number of non-zero basis functions:     1376 in task   731
  | Maximal number of non-zero basis functions:     1398 in task   732
  | Maximal number of non-zero basis functions:     1354 in task   733
  | Maximal number of non-zero basis functions:     1399 in task   734
  | Maximal number of non-zero basis functions:     1479 in task   735
  | Maximal number of non-zero basis functions:     1391 in task   736
  | Maximal number of non-zero basis functions:     1254 in task   737
  | Maximal number of non-zero basis functions:     1420 in task   738
  | Maximal number of non-zero basis functions:     1423 in task   739
  | Maximal number of non-zero basis functions:     1414 in task   740
  | Maximal number of non-zero basis functions:     1316 in task   741
  | Maximal number of non-zero basis functions:     1374 in task   742
  | Maximal number of non-zero basis functions:     1430 in task   743
  | Maximal number of non-zero basis functions:     1384 in task   744
  | Maximal number of non-zero basis functions:     1408 in task   745
  | Maximal number of non-zero basis functions:     1418 in task   746
  | Maximal number of non-zero basis functions:     1395 in task   747
  | Maximal number of non-zero basis functions:     1427 in task   748
  | Maximal number of non-zero basis functions:     1414 in task   749
  | Maximal number of non-zero basis functions:     1438 in task   750
  | Maximal number of non-zero basis functions:     1375 in task   751
  | Maximal number of non-zero basis functions:     1433 in task   752
  | Maximal number of non-zero basis functions:     1427 in task   753
  | Maximal number of non-zero basis functions:     1394 in task   754
  | Maximal number of non-zero basis functions:     1403 in task   755
  | Maximal number of non-zero basis functions:     1425 in task   756
  | Maximal number of non-zero basis functions:     1400 in task   757
  | Maximal number of non-zero basis functions:     1467 in task   758
  | Maximal number of non-zero basis functions:     1323 in task   759
  | Maximal number of non-zero basis functions:     1336 in task   760
  | Maximal number of non-zero basis functions:     1419 in task   761
  | Maximal number of non-zero basis functions:     1414 in task   762
  | Maximal number of non-zero basis functions:     1402 in task   763
  | Maximal number of non-zero basis functions:     1248 in task   764
  | Maximal number of non-zero basis functions:     1243 in task   765
  | Maximal number of non-zero basis functions:     1345 in task   766
  | Maximal number of non-zero basis functions:     1413 in task   767
  | Maximal number of non-zero basis functions:     1400 in task   768
  | Maximal number of non-zero basis functions:     1285 in task   769
  | Maximal number of non-zero basis functions:     1325 in task   770
  | Maximal number of non-zero basis functions:     1436 in task   771
  | Maximal number of non-zero basis functions:     1420 in task   772
  | Maximal number of non-zero basis functions:     1170 in task   773
  | Maximal number of non-zero basis functions:     1265 in task   774
  | Maximal number of non-zero basis functions:     1476 in task   775
  | Maximal number of non-zero basis functions:     1294 in task   776
  | Maximal number of non-zero basis functions:     1384 in task   777
  | Maximal number of non-zero basis functions:     1250 in task   778
  | Maximal number of non-zero basis functions:     1307 in task   779
  | Maximal number of non-zero basis functions:     1401 in task   780
  | Maximal number of non-zero basis functions:     1406 in task   781
  | Maximal number of non-zero basis functions:     1273 in task   782
  | Maximal number of non-zero basis functions:     1307 in task   783
  | Maximal number of non-zero basis functions:     1299 in task   784
  | Maximal number of non-zero basis functions:     1339 in task   785
  | Maximal number of non-zero basis functions:     1374 in task   786
  | Maximal number of non-zero basis functions:     1366 in task   787
  | Maximal number of non-zero basis functions:     1387 in task   788
  | Maximal number of non-zero basis functions:     1398 in task   789
  | Maximal number of non-zero basis functions:     1398 in task   790
  | Maximal number of non-zero basis functions:     1403 in task   791
  | Maximal number of non-zero basis functions:     1384 in task   792
  | Maximal number of non-zero basis functions:     1424 in task   793
  | Maximal number of non-zero basis functions:     1361 in task   794
  | Maximal number of non-zero basis functions:     1431 in task   795
  | Maximal number of non-zero basis functions:     1364 in task   796
  | Maximal number of non-zero basis functions:     1316 in task   797
  | Maximal number of non-zero basis functions:     1366 in task   798
  | Maximal number of non-zero basis functions:     1398 in task   799
  | Maximal number of non-zero basis functions:     1426 in task   800
  | Maximal number of non-zero basis functions:     1299 in task   801
  | Maximal number of non-zero basis functions:     1403 in task   802
  | Maximal number of non-zero basis functions:     1394 in task   803
  | Maximal number of non-zero basis functions:     1352 in task   804
  | Maximal number of non-zero basis functions:     1370 in task   805
  | Maximal number of non-zero basis functions:     1407 in task   806
  | Maximal number of non-zero basis functions:     1337 in task   807
  | Maximal number of non-zero basis functions:     1407 in task   808
  | Maximal number of non-zero basis functions:     1222 in task   809
  | Maximal number of non-zero basis functions:     1226 in task   810
  | Maximal number of non-zero basis functions:     1408 in task   811
  | Maximal number of non-zero basis functions:     1316 in task   812
  | Maximal number of non-zero basis functions:     1241 in task   813
  | Maximal number of non-zero basis functions:     1394 in task   814
  | Maximal number of non-zero basis functions:     1382 in task   815
  | Maximal number of non-zero basis functions:     1358 in task   816
  | Maximal number of non-zero basis functions:     1435 in task   817
  | Maximal number of non-zero basis functions:     1386 in task   818
  | Maximal number of non-zero basis functions:     1400 in task   819
  | Maximal number of non-zero basis functions:     1246 in task   820
  | Maximal number of non-zero basis functions:     1403 in task   821
  | Maximal number of non-zero basis functions:     1428 in task   822
  | Maximal number of non-zero basis functions:     1303 in task   823
  | Maximal number of non-zero basis functions:     1262 in task   824
  | Maximal number of non-zero basis functions:     1387 in task   825
  | Maximal number of non-zero basis functions:     1344 in task   826
  | Maximal number of non-zero basis functions:     1391 in task   827
  | Maximal number of non-zero basis functions:     1388 in task   828
  | Maximal number of non-zero basis functions:     1387 in task   829
  | Maximal number of non-zero basis functions:     1391 in task   830
  | Maximal number of non-zero basis functions:     1387 in task   831
  | Maximal number of non-zero basis functions:     1346 in task   832
  | Maximal number of non-zero basis functions:     1414 in task   833
  | Maximal number of non-zero basis functions:     1391 in task   834
  | Maximal number of non-zero basis functions:     1355 in task   835
  | Maximal number of non-zero basis functions:     1386 in task   836
  | Maximal number of non-zero basis functions:     1410 in task   837
  | Maximal number of non-zero basis functions:     1430 in task   838
  | Maximal number of non-zero basis functions:     1403 in task   839
  | Maximal number of non-zero basis functions:     1414 in task   840
  | Maximal number of non-zero basis functions:     1359 in task   841
  | Maximal number of non-zero basis functions:     1410 in task   842
  | Maximal number of non-zero basis functions:     1322 in task   843
  | Maximal number of non-zero basis functions:     1371 in task   844
  | Maximal number of non-zero basis functions:     1391 in task   845
  | Maximal number of non-zero basis functions:     1471 in task   846
  | Maximal number of non-zero basis functions:     1365 in task   847
  | Maximal number of non-zero basis functions:     1397 in task   848
  | Maximal number of non-zero basis functions:     1391 in task   849
  | Maximal number of non-zero basis functions:     1359 in task   850
  | Maximal number of non-zero basis functions:     1353 in task   851
  | Maximal number of non-zero basis functions:     1393 in task   852
  | Maximal number of non-zero basis functions:     1415 in task   853
  | Maximal number of non-zero basis functions:     1418 in task   854
  | Maximal number of non-zero basis functions:     1329 in task   855
  | Maximal number of non-zero basis functions:     1256 in task   856
  | Maximal number of non-zero basis functions:     1404 in task   857
  | Maximal number of non-zero basis functions:     1335 in task   858
  | Maximal number of non-zero basis functions:     1298 in task   859
  | Maximal number of non-zero basis functions:     1425 in task   860
  | Maximal number of non-zero basis functions:     1275 in task   861
  | Maximal number of non-zero basis functions:     1376 in task   862
  | Maximal number of non-zero basis functions:     1427 in task   863
  | Maximal number of non-zero basis functions:     1287 in task   864
  | Maximal number of non-zero basis functions:     1426 in task   865
  | Maximal number of non-zero basis functions:     1254 in task   866
  | Maximal number of non-zero basis functions:     1410 in task   867
  | Maximal number of non-zero basis functions:     1345 in task   868
  | Maximal number of non-zero basis functions:     1290 in task   869
  | Maximal number of non-zero basis functions:     1394 in task   870
  | Maximal number of non-zero basis functions:     1412 in task   871
  | Maximal number of non-zero basis functions:     1330 in task   872
  | Maximal number of non-zero basis functions:     1279 in task   873
  | Maximal number of non-zero basis functions:     1413 in task   874
  | Maximal number of non-zero basis functions:     1307 in task   875
  | Maximal number of non-zero basis functions:     1425 in task   876
  | Maximal number of non-zero basis functions:     1387 in task   877
  | Maximal number of non-zero basis functions:     1349 in task   878
  | Maximal number of non-zero basis functions:     1468 in task   879
  | Maximal number of non-zero basis functions:     1380 in task   880
  | Maximal number of non-zero basis functions:     1406 in task   881
  | Maximal number of non-zero basis functions:     1394 in task   882
  | Maximal number of non-zero basis functions:     1433 in task   883
  | Maximal number of non-zero basis functions:     1409 in task   884
  | Maximal number of non-zero basis functions:     1424 in task   885
  | Maximal number of non-zero basis functions:     1384 in task   886
  | Maximal number of non-zero basis functions:     1426 in task   887
  | Maximal number of non-zero basis functions:     1392 in task   888
  | Maximal number of non-zero basis functions:     1403 in task   889
  | Maximal number of non-zero basis functions:     1387 in task   890
  | Maximal number of non-zero basis functions:     1401 in task   891
  | Maximal number of non-zero basis functions:     1419 in task   892
  | Maximal number of non-zero basis functions:     1429 in task   893
  | Maximal number of non-zero basis functions:     1410 in task   894
  | Maximal number of non-zero basis functions:     1383 in task   895
  | Maximal number of non-zero basis functions:     1325 in task   896
  | Maximal number of non-zero basis functions:     1456 in task   897
  | Maximal number of non-zero basis functions:     1321 in task   898
  | Maximal number of non-zero basis functions:     1406 in task   899
  | Maximal number of non-zero basis functions:     1369 in task   900
  | Maximal number of non-zero basis functions:     1389 in task   901
  | Maximal number of non-zero basis functions:     1458 in task   902
  | Maximal number of non-zero basis functions:     1357 in task   903
  | Maximal number of non-zero basis functions:     1325 in task   904
  | Maximal number of non-zero basis functions:     1350 in task   905
  | Maximal number of non-zero basis functions:     1327 in task   906
  | Maximal number of non-zero basis functions:     1330 in task   907
  | Maximal number of non-zero basis functions:     1422 in task   908
  | Maximal number of non-zero basis functions:     1389 in task   909
  | Maximal number of non-zero basis functions:     1352 in task   910
  | Maximal number of non-zero basis functions:     1401 in task   911
  | Maximal number of non-zero basis functions:     1429 in task   912
  | Maximal number of non-zero basis functions:     1420 in task   913
  | Maximal number of non-zero basis functions:     1377 in task   914
  | Maximal number of non-zero basis functions:     1429 in task   915
  | Maximal number of non-zero basis functions:     1408 in task   916
  | Maximal number of non-zero basis functions:     1405 in task   917
  | Maximal number of non-zero basis functions:     1416 in task   918
  | Maximal number of non-zero basis functions:     1454 in task   919
  | Maximal number of non-zero basis functions:     1396 in task   920
  | Maximal number of non-zero basis functions:     1440 in task   921
  | Maximal number of non-zero basis functions:     1427 in task   922
  | Maximal number of non-zero basis functions:     1415 in task   923
  | Maximal number of non-zero basis functions:     1372 in task   924
  | Maximal number of non-zero basis functions:     1429 in task   925
  | Maximal number of non-zero basis functions:     1380 in task   926
  | Maximal number of non-zero basis functions:     1395 in task   927
  | Maximal number of non-zero basis functions:     1396 in task   928
  | Maximal number of non-zero basis functions:     1387 in task   929
  | Maximal number of non-zero basis functions:     1423 in task   930
  | Maximal number of non-zero basis functions:     1344 in task   931
  | Maximal number of non-zero basis functions:     1386 in task   932
  | Maximal number of non-zero basis functions:     1350 in task   933
  | Maximal number of non-zero basis functions:     1335 in task   934
  | Maximal number of non-zero basis functions:     1424 in task   935
  | Maximal number of non-zero basis functions:     1427 in task   936
  | Maximal number of non-zero basis functions:     1402 in task   937
  | Maximal number of non-zero basis functions:     1296 in task   938
  | Maximal number of non-zero basis functions:     1336 in task   939
  | Maximal number of non-zero basis functions:     1467 in task   940
  | Maximal number of non-zero basis functions:     1410 in task   941
  | Maximal number of non-zero basis functions:     1307 in task   942
  | Maximal number of non-zero basis functions:     1395 in task   943
  | Maximal number of non-zero basis functions:     1486 in task   944
  | Maximal number of non-zero basis functions:     1420 in task   945
  | Maximal number of non-zero basis functions:     1349 in task   946
  | Maximal number of non-zero basis functions:     1431 in task   947
  | Maximal number of non-zero basis functions:     1427 in task   948
  | Maximal number of non-zero basis functions:     1416 in task   949
  | Maximal number of non-zero basis functions:     1468 in task   950
  | Maximal number of non-zero basis functions:     1456 in task   951
  | Maximal number of non-zero basis functions:     1445 in task   952
  | Maximal number of non-zero basis functions:     1427 in task   953
  | Maximal number of non-zero basis functions:     1445 in task   954
  | Maximal number of non-zero basis functions:     1425 in task   955
  | Maximal number of non-zero basis functions:     1486 in task   956
  | Maximal number of non-zero basis functions:     1371 in task   957
  | Maximal number of non-zero basis functions:     1361 in task   958
  | Maximal number of non-zero basis functions:     1348 in task   959
  | Maximal number of non-zero basis functions:     1388 in task   960
  | Maximal number of non-zero basis functions:     1375 in task   961
  | Maximal number of non-zero basis functions:     1387 in task   962
  | Maximal number of non-zero basis functions:     1414 in task   963
  | Maximal number of non-zero basis functions:     1398 in task   964
  | Maximal number of non-zero basis functions:     1420 in task   965
  | Maximal number of non-zero basis functions:     1446 in task   966
  | Maximal number of non-zero basis functions:     1380 in task   967
  | Maximal number of non-zero basis functions:     1467 in task   968
  | Maximal number of non-zero basis functions:     1403 in task   969
  | Maximal number of non-zero basis functions:     1458 in task   970
  | Maximal number of non-zero basis functions:     1405 in task   971
  | Maximal number of non-zero basis functions:     1380 in task   972
  | Maximal number of non-zero basis functions:     1421 in task   973
  | Maximal number of non-zero basis functions:     1418 in task   974
  | Maximal number of non-zero basis functions:     1447 in task   975
  | Maximal number of non-zero basis functions:     1402 in task   976
  | Maximal number of non-zero basis functions:     1355 in task   977
  | Maximal number of non-zero basis functions:     1292 in task   978
  | Maximal number of non-zero basis functions:     1413 in task   979
  | Maximal number of non-zero basis functions:     1387 in task   980
  | Maximal number of non-zero basis functions:     1437 in task   981
  | Maximal number of non-zero basis functions:     1427 in task   982
  | Maximal number of non-zero basis functions:     1409 in task   983
  | Maximal number of non-zero basis functions:     1427 in task   984
  | Maximal number of non-zero basis functions:     1334 in task   985
  | Maximal number of non-zero basis functions:     1378 in task   986
  | Maximal number of non-zero basis functions:     1396 in task   987
  | Maximal number of non-zero basis functions:     1391 in task   988
  | Maximal number of non-zero basis functions:     1358 in task   989
  | Maximal number of non-zero basis functions:     1377 in task   990
  | Maximal number of non-zero basis functions:     1363 in task   991
  | Maximal number of non-zero basis functions:     1420 in task   992
  | Maximal number of non-zero basis functions:     1391 in task   993
  | Maximal number of non-zero basis functions:     1543 in task   994
  | Maximal number of non-zero basis functions:     1527 in task   995
  | Maximal number of non-zero basis functions:     1408 in task   996
  | Maximal number of non-zero basis functions:     1388 in task   997
  | Maximal number of non-zero basis functions:     1402 in task   998
  | Maximal number of non-zero basis functions:     1428 in task   999
  | Maximal number of non-zero basis functions:     1398 in task  1000
  | Maximal number of non-zero basis functions:     1414 in task  1001
  | Maximal number of non-zero basis functions:     1455 in task  1002
  | Maximal number of non-zero basis functions:     1445 in task  1003
  | Maximal number of non-zero basis functions:     1472 in task  1004
  | Maximal number of non-zero basis functions:     1403 in task  1005
  | Maximal number of non-zero basis functions:     1471 in task  1006
  | Maximal number of non-zero basis functions:     1433 in task  1007
  | Maximal number of non-zero basis functions:     1414 in task  1008
  | Maximal number of non-zero basis functions:     1388 in task  1009
  | Maximal number of non-zero basis functions:     1385 in task  1010
  | Maximal number of non-zero basis functions:     1416 in task  1011
  | Maximal number of non-zero basis functions:     1390 in task  1012
  | Maximal number of non-zero basis functions:     1400 in task  1013
  | Maximal number of non-zero basis functions:     1449 in task  1014
  | Maximal number of non-zero basis functions:     1360 in task  1015
  | Maximal number of non-zero basis functions:     1399 in task  1016
  | Maximal number of non-zero basis functions:     1371 in task  1017
  | Maximal number of non-zero basis functions:     1391 in task  1018
  | Maximal number of non-zero basis functions:     1303 in task  1019
  | Maximal number of non-zero basis functions:     1330 in task  1020
  | Maximal number of non-zero basis functions:     1375 in task  1021
  | Maximal number of non-zero basis functions:     1493 in task  1022
  | Maximal number of non-zero basis functions:     1367 in task  1023
  | Maximal number of non-zero basis functions:     1401 in task  1024
  | Maximal number of non-zero basis functions:     1341 in task  1025
  | Maximal number of non-zero basis functions:     1420 in task  1026
  | Maximal number of non-zero basis functions:     1420 in task  1027
  | Maximal number of non-zero basis functions:     1429 in task  1028
  | Maximal number of non-zero basis functions:     1408 in task  1029
  | Maximal number of non-zero basis functions:     1405 in task  1030
  | Maximal number of non-zero basis functions:     1432 in task  1031
  | Maximal number of non-zero basis functions:     1454 in task  1032
  | Maximal number of non-zero basis functions:     1396 in task  1033
  | Maximal number of non-zero basis functions:     1440 in task  1034
  | Maximal number of non-zero basis functions:     1406 in task  1035
  | Maximal number of non-zero basis functions:     1415 in task  1036
  | Maximal number of non-zero basis functions:     1372 in task  1037
  | Maximal number of non-zero basis functions:     1399 in task  1038
  | Maximal number of non-zero basis functions:     1441 in task  1039
  | Maximal number of non-zero basis functions:     1441 in task  1040
  | Maximal number of non-zero basis functions:     1396 in task  1041
  | Maximal number of non-zero basis functions:     1387 in task  1042
  | Maximal number of non-zero basis functions:     1430 in task  1043
  | Maximal number of non-zero basis functions:     1352 in task  1044
  | Maximal number of non-zero basis functions:     1386 in task  1045
  | Maximal number of non-zero basis functions:     1395 in task  1046
  | Maximal number of non-zero basis functions:     1335 in task  1047
  | Maximal number of non-zero basis functions:     1405 in task  1048
  | Maximal number of non-zero basis functions:     1469 in task  1049
  | Maximal number of non-zero basis functions:     1425 in task  1050
  | Maximal number of non-zero basis functions:     1395 in task  1051
  | Maximal number of non-zero basis functions:     1371 in task  1052
  | Maximal number of non-zero basis functions:     1279 in task  1053
  | Maximal number of non-zero basis functions:     1489 in task  1054
  | Maximal number of non-zero basis functions:     1355 in task  1055
  | Maximal number of non-zero basis functions:     1450 in task  1056
  | Maximal number of non-zero basis functions:     1344 in task  1057
  | Maximal number of non-zero basis functions:     1390 in task  1058
  | Maximal number of non-zero basis functions:     1431 in task  1059
  | Maximal number of non-zero basis functions:     1437 in task  1060
  | Maximal number of non-zero basis functions:     1406 in task  1061
  | Maximal number of non-zero basis functions:     1429 in task  1062
  | Maximal number of non-zero basis functions:     1405 in task  1063
  | Maximal number of non-zero basis functions:     1410 in task  1064
  | Maximal number of non-zero basis functions:     1424 in task  1065
  | Maximal number of non-zero basis functions:     1384 in task  1066
  | Maximal number of non-zero basis functions:     1426 in task  1067
  | Maximal number of non-zero basis functions:     1431 in task  1068
  | Maximal number of non-zero basis functions:     1403 in task  1069
  | Maximal number of non-zero basis functions:     1387 in task  1070
  | Maximal number of non-zero basis functions:     1401 in task  1071
  | Maximal number of non-zero basis functions:     1394 in task  1072
  | Maximal number of non-zero basis functions:     1367 in task  1073
  | Maximal number of non-zero basis functions:     1460 in task  1074
  | Maximal number of non-zero basis functions:     1383 in task  1075
  | Maximal number of non-zero basis functions:     1433 in task  1076
  | Maximal number of non-zero basis functions:     1394 in task  1077
  | Maximal number of non-zero basis functions:     1321 in task  1078
  | Maximal number of non-zero basis functions:     1335 in task  1079
  | Maximal number of non-zero basis functions:     1356 in task  1080
  | Maximal number of non-zero basis functions:     1286 in task  1081
  | Maximal number of non-zero basis functions:     1408 in task  1082
  | Maximal number of non-zero basis functions:     1424 in task  1083
  | Maximal number of non-zero basis functions:     1325 in task  1084
  | Maximal number of non-zero basis functions:     1362 in task  1085
  | Maximal number of non-zero basis functions:     1315 in task  1086
  | Maximal number of non-zero basis functions:     1335 in task  1087
  | Maximal number of non-zero basis functions:     1338 in task  1088
  | Maximal number of non-zero basis functions:     1455 in task  1089
  | Maximal number of non-zero basis functions:     1468 in task  1090
  | Maximal number of non-zero basis functions:     1452 in task  1091
  | Maximal number of non-zero basis functions:     1338 in task  1092
  | Maximal number of non-zero basis functions:     1360 in task  1093
  | Maximal number of non-zero basis functions:     1268 in task  1094
  | Maximal number of non-zero basis functions:     1301 in task  1095
  | Maximal number of non-zero basis functions:     1408 in task  1096
  | Maximal number of non-zero basis functions:     1391 in task  1097
  | Maximal number of non-zero basis functions:     1287 in task  1098
  | Maximal number of non-zero basis functions:     1406 in task  1099
  | Maximal number of non-zero basis functions:     1438 in task  1100
  | Maximal number of non-zero basis functions:     1430 in task  1101
  | Maximal number of non-zero basis functions:     1406 in task  1102
  | Maximal number of non-zero basis functions:     1399 in task  1103
  | Maximal number of non-zero basis functions:     1363 in task  1104
  | Maximal number of non-zero basis functions:     1415 in task  1105
  | Maximal number of non-zero basis functions:     1330 in task  1106
  | Maximal number of non-zero basis functions:     1378 in task  1107
  | Maximal number of non-zero basis functions:     1383 in task  1108
  | Maximal number of non-zero basis functions:     1321 in task  1109
  | Maximal number of non-zero basis functions:     1388 in task  1110
  | Maximal number of non-zero basis functions:     1308 in task  1111
  | Maximal number of non-zero basis functions:     1404 in task  1112
  | Maximal number of non-zero basis functions:     1371 in task  1113
  | Maximal number of non-zero basis functions:     1299 in task  1114
  | Maximal number of non-zero basis functions:     1322 in task  1115
  | Maximal number of non-zero basis functions:     1436 in task  1116
  | Maximal number of non-zero basis functions:     1382 in task  1117
  | Maximal number of non-zero basis functions:     1320 in task  1118
  | Maximal number of non-zero basis functions:     1316 in task  1119
  | Maximal number of non-zero basis functions:     1449 in task  1120
  | Maximal number of non-zero basis functions:     1405 in task  1121
  | Maximal number of non-zero basis functions:     1388 in task  1122
  | Maximal number of non-zero basis functions:     1197 in task  1123
  | Maximal number of non-zero basis functions:     1405 in task  1124
  | Maximal number of non-zero basis functions:     1288 in task  1125
  | Maximal number of non-zero basis functions:     1403 in task  1126
  | Maximal number of non-zero basis functions:     1280 in task  1127
  | Maximal number of non-zero basis functions:     1356 in task  1128
  | Maximal number of non-zero basis functions:     1380 in task  1129
  | Maximal number of non-zero basis functions:     1404 in task  1130
  | Maximal number of non-zero basis functions:     1317 in task  1131
  | Maximal number of non-zero basis functions:     1465 in task  1132
  | Maximal number of non-zero basis functions:     1410 in task  1133
  | Maximal number of non-zero basis functions:     1409 in task  1134
  | Maximal number of non-zero basis functions:     1333 in task  1135
  | Maximal number of non-zero basis functions:     1332 in task  1136
  | Maximal number of non-zero basis functions:     1438 in task  1137
  | Maximal number of non-zero basis functions:     1295 in task  1138
  | Maximal number of non-zero basis functions:     1268 in task  1139
  | Maximal number of non-zero basis functions:     1404 in task  1140
  | Maximal number of non-zero basis functions:     1410 in task  1141
  | Maximal number of non-zero basis functions:     1365 in task  1142
  | Maximal number of non-zero basis functions:     1399 in task  1143
  | Maximal number of non-zero basis functions:     1465 in task  1144
  | Maximal number of non-zero basis functions:     1316 in task  1145
  | Maximal number of non-zero basis functions:     1359 in task  1146
  | Maximal number of non-zero basis functions:     1343 in task  1147
  | Maximal number of non-zero basis functions:     1390 in task  1148
  | Maximal number of non-zero basis functions:     1236 in task  1149
  | Maximal number of non-zero basis functions:     1256 in task  1150
  | Maximal number of non-zero basis functions:     1272 in task  1151
  | Maximal number of non-zero basis functions:     1389 in task  1152
  | Maximal number of non-zero basis functions:     1348 in task  1153
  | Maximal number of non-zero basis functions:     1438 in task  1154
  | Maximal number of non-zero basis functions:     1331 in task  1155
  | Maximal number of non-zero basis functions:     1359 in task  1156
  | Maximal number of non-zero basis functions:     1411 in task  1157
  | Maximal number of non-zero basis functions:     1427 in task  1158
  | Maximal number of non-zero basis functions:     1387 in task  1159
  | Maximal number of non-zero basis functions:     1351 in task  1160
  | Maximal number of non-zero basis functions:     1366 in task  1161
  | Maximal number of non-zero basis functions:     1487 in task  1162
  | Maximal number of non-zero basis functions:     1419 in task  1163
  | Maximal number of non-zero basis functions:     1338 in task  1164
  | Maximal number of non-zero basis functions:     1401 in task  1165
  | Maximal number of non-zero basis functions:     1377 in task  1166
  | Maximal number of non-zero basis functions:     1388 in task  1167
  | Maximal number of non-zero basis functions:     1466 in task  1168
  | Maximal number of non-zero basis functions:     1415 in task  1169
  | Maximal number of non-zero basis functions:     1374 in task  1170
  | Maximal number of non-zero basis functions:     1329 in task  1171
  | Maximal number of non-zero basis functions:     1260 in task  1172
  | Maximal number of non-zero basis functions:     1333 in task  1173
  | Maximal number of non-zero basis functions:     1408 in task  1174
  | Maximal number of non-zero basis functions:     1307 in task  1175
  | Maximal number of non-zero basis functions:     1381 in task  1176
  | Maximal number of non-zero basis functions:     1241 in task  1177
  | Maximal number of non-zero basis functions:     1371 in task  1178
  | Maximal number of non-zero basis functions:     1416 in task  1179
  | Maximal number of non-zero basis functions:     1365 in task  1180
  | Maximal number of non-zero basis functions:     1370 in task  1181
  | Maximal number of non-zero basis functions:     1410 in task  1182
  | Maximal number of non-zero basis functions:     1413 in task  1183
  | Maximal number of non-zero basis functions:     1324 in task  1184
  | Maximal number of non-zero basis functions:     1405 in task  1185
  | Maximal number of non-zero basis functions:     1201 in task  1186
  | Maximal number of non-zero basis functions:     1403 in task  1187
  | Maximal number of non-zero basis functions:     1410 in task  1188
  | Maximal number of non-zero basis functions:     1415 in task  1189
  | Maximal number of non-zero basis functions:     1123 in task  1190
  | Maximal number of non-zero basis functions:     1282 in task  1191
  | Maximal number of non-zero basis functions:     1297 in task  1192
  | Maximal number of non-zero basis functions:     1366 in task  1193
  | Maximal number of non-zero basis functions:     1369 in task  1194
  | Maximal number of non-zero basis functions:     1107 in task  1195
  | Maximal number of non-zero basis functions:     1324 in task  1196
  | Maximal number of non-zero basis functions:     1449 in task  1197
  | Maximal number of non-zero basis functions:     1141 in task  1198
  | Maximal number of non-zero basis functions:     1218 in task  1199
  | Maximal number of non-zero basis functions:     1329 in task  1200
  | Maximal number of non-zero basis functions:     1387 in task  1201
  | Maximal number of non-zero basis functions:     1393 in task  1202
  | Maximal number of non-zero basis functions:     1294 in task  1203
  | Maximal number of non-zero basis functions:     1427 in task  1204
  | Maximal number of non-zero basis functions:     1412 in task  1205
  | Maximal number of non-zero basis functions:     1314 in task  1206
  | Maximal number of non-zero basis functions:     1351 in task  1207
  | Maximal number of non-zero basis functions:     1104 in task  1208
  | Maximal number of non-zero basis functions:     1392 in task  1209
  | Maximal number of non-zero basis functions:     1386 in task  1210
  | Maximal number of non-zero basis functions:     1285 in task  1211
  | Maximal number of non-zero basis functions:     1375 in task  1212
  | Maximal number of non-zero basis functions:     1153 in task  1213
  | Maximal number of non-zero basis functions:     1380 in task  1214
  | Maximal number of non-zero basis functions:     1379 in task  1215
  | Maximal number of non-zero basis functions:     1384 in task  1216
  | Maximal number of non-zero basis functions:     1408 in task  1217
  | Maximal number of non-zero basis functions:     1381 in task  1218
  | Maximal number of non-zero basis functions:     1355 in task  1219
  | Maximal number of non-zero basis functions:     1384 in task  1220
  | Maximal number of non-zero basis functions:     1360 in task  1221
  | Maximal number of non-zero basis functions:     1468 in task  1222
  | Maximal number of non-zero basis functions:     1401 in task  1223
  | Maximal number of non-zero basis functions:     1398 in task  1224
  | Maximal number of non-zero basis functions:     1382 in task  1225
  | Maximal number of non-zero basis functions:     1421 in task  1226
  | Maximal number of non-zero basis functions:     1435 in task  1227
  | Maximal number of non-zero basis functions:     1455 in task  1228
  | Maximal number of non-zero basis functions:     1256 in task  1229
  | Maximal number of non-zero basis functions:     1276 in task  1230
  | Maximal number of non-zero basis functions:     1360 in task  1231
  | Maximal number of non-zero basis functions:     1396 in task  1232
  | Maximal number of non-zero basis functions:     1310 in task  1233
  | Maximal number of non-zero basis functions:     1294 in task  1234
  | Maximal number of non-zero basis functions:     1456 in task  1235
  | Maximal number of non-zero basis functions:     1288 in task  1236
  | Maximal number of non-zero basis functions:     1406 in task  1237
  | Maximal number of non-zero basis functions:     1369 in task  1238
  | Maximal number of non-zero basis functions:     1360 in task  1239
  | Maximal number of non-zero basis functions:     1454 in task  1240
  | Maximal number of non-zero basis functions:     1371 in task  1241
  | Maximal number of non-zero basis functions:     1281 in task  1242
  | Maximal number of non-zero basis functions:     1343 in task  1243
  | Maximal number of non-zero basis functions:     1408 in task  1244
  | Maximal number of non-zero basis functions:     1434 in task  1245
  | Maximal number of non-zero basis functions:     1460 in task  1246
  | Maximal number of non-zero basis functions:     1384 in task  1247
  | Maximal number of non-zero basis functions:     1399 in task  1248
  | Maximal number of non-zero basis functions:     1405 in task  1249
  | Maximal number of non-zero basis functions:     1401 in task  1250
  | Maximal number of non-zero basis functions:     1389 in task  1251
  | Maximal number of non-zero basis functions:     1324 in task  1252
  | Maximal number of non-zero basis functions:     1387 in task  1253
  | Maximal number of non-zero basis functions:     1387 in task  1254
  | Maximal number of non-zero basis functions:     1413 in task  1255
  | Maximal number of non-zero basis functions:     1441 in task  1256
  | Maximal number of non-zero basis functions:     1450 in task  1257
  | Maximal number of non-zero basis functions:     1389 in task  1258
  | Maximal number of non-zero basis functions:     1361 in task  1259
  | Maximal number of non-zero basis functions:     1451 in task  1260
  | Maximal number of non-zero basis functions:     1390 in task  1261
  | Maximal number of non-zero basis functions:     1432 in task  1262
  | Maximal number of non-zero basis functions:     1391 in task  1263
  | Maximal number of non-zero basis functions:     1235 in task  1264
  | Maximal number of non-zero basis functions:     1418 in task  1265
  | Maximal number of non-zero basis functions:     1325 in task  1266
  | Maximal number of non-zero basis functions:     1412 in task  1267
  | Maximal number of non-zero basis functions:     1422 in task  1268
  | Maximal number of non-zero basis functions:     1409 in task  1269
  | Maximal number of non-zero basis functions:     1411 in task  1270
  | Maximal number of non-zero basis functions:     1239 in task  1271
  | Maximal number of non-zero basis functions:     1358 in task  1272
  | Maximal number of non-zero basis functions:     1389 in task  1273
  | Maximal number of non-zero basis functions:     1363 in task  1274
  | Maximal number of non-zero basis functions:     1345 in task  1275
  | Maximal number of non-zero basis functions:     1301 in task  1276
  | Maximal number of non-zero basis functions:     1441 in task  1277
  | Maximal number of non-zero basis functions:     1335 in task  1278
  | Maximal number of non-zero basis functions:     1380 in task  1279
  | Maximal number of non-zero basis functions:     1365 in task  1280
  | Maximal number of non-zero basis functions:     1433 in task  1281
  | Maximal number of non-zero basis functions:     1352 in task  1282
  | Maximal number of non-zero basis functions:     1337 in task  1283
  | Maximal number of non-zero basis functions:     1378 in task  1284
  | Maximal number of non-zero basis functions:     1403 in task  1285
  | Maximal number of non-zero basis functions:     1377 in task  1286
  | Maximal number of non-zero basis functions:     1413 in task  1287
  | Maximal number of non-zero basis functions:     1365 in task  1288
  | Maximal number of non-zero basis functions:     1400 in task  1289
  | Maximal number of non-zero basis functions:     1359 in task  1290
  | Maximal number of non-zero basis functions:     1371 in task  1291
  | Maximal number of non-zero basis functions:     1349 in task  1292
  | Maximal number of non-zero basis functions:     1382 in task  1293
  | Maximal number of non-zero basis functions:     1397 in task  1294
  | Maximal number of non-zero basis functions:     1403 in task  1295
  | Maximal number of non-zero basis functions:     1412 in task  1296
  | Maximal number of non-zero basis functions:     1427 in task  1297
  | Maximal number of non-zero basis functions:     1417 in task  1298
  | Maximal number of non-zero basis functions:     1424 in task  1299
  | Maximal number of non-zero basis functions:     1416 in task  1300
  | Maximal number of non-zero basis functions:     1410 in task  1301
  | Maximal number of non-zero basis functions:     1429 in task  1302
  | Maximal number of non-zero basis functions:     1388 in task  1303
  | Maximal number of non-zero basis functions:     1408 in task  1304
  | Maximal number of non-zero basis functions:     1374 in task  1305
  | Maximal number of non-zero basis functions:     1416 in task  1306
  | Maximal number of non-zero basis functions:     1382 in task  1307
  | Maximal number of non-zero basis functions:     1396 in task  1308
  | Maximal number of non-zero basis functions:     1400 in task  1309
  | Maximal number of non-zero basis functions:     1369 in task  1310
  | Maximal number of non-zero basis functions:     1394 in task  1311
  | Maximal number of non-zero basis functions:     1432 in task  1312
  | Maximal number of non-zero basis functions:     1376 in task  1313
  | Maximal number of non-zero basis functions:     1430 in task  1314
  | Maximal number of non-zero basis functions:     1349 in task  1315
  | Maximal number of non-zero basis functions:     1410 in task  1316
  | Maximal number of non-zero basis functions:     1398 in task  1317
  | Maximal number of non-zero basis functions:     1433 in task  1318
  | Maximal number of non-zero basis functions:     1424 in task  1319
  | Maximal number of non-zero basis functions:     1449 in task  1320
  | Maximal number of non-zero basis functions:     1400 in task  1321
  | Maximal number of non-zero basis functions:     1419 in task  1322
  | Maximal number of non-zero basis functions:     1404 in task  1323
  | Maximal number of non-zero basis functions:     1384 in task  1324
  | Maximal number of non-zero basis functions:     1425 in task  1325
  | Maximal number of non-zero basis functions:     1461 in task  1326
  | Maximal number of non-zero basis functions:     1486 in task  1327
  | Maximal number of non-zero basis functions:     1471 in task  1328
  | Maximal number of non-zero basis functions:     1419 in task  1329
  | Maximal number of non-zero basis functions:     1422 in task  1330
  | Maximal number of non-zero basis functions:     1429 in task  1331
  | Maximal number of non-zero basis functions:     1417 in task  1332
  | Maximal number of non-zero basis functions:     1461 in task  1333
  | Maximal number of non-zero basis functions:     1400 in task  1334
  | Maximal number of non-zero basis functions:     1426 in task  1335
  | Maximal number of non-zero basis functions:     1410 in task  1336
  | Maximal number of non-zero basis functions:     1469 in task  1337
  | Maximal number of non-zero basis functions:     1426 in task  1338
  | Maximal number of non-zero basis functions:     1434 in task  1339
  | Maximal number of non-zero basis functions:     1478 in task  1340
  | Maximal number of non-zero basis functions:     1493 in task  1341
  | Maximal number of non-zero basis functions:     1480 in task  1342
  | Maximal number of non-zero basis functions:     1415 in task  1343
  | Maximal number of non-zero basis functions:     1441 in task  1344
  | Maximal number of non-zero basis functions:     1431 in task  1345
  | Maximal number of non-zero basis functions:     1404 in task  1346
  | Maximal number of non-zero basis functions:     1373 in task  1347
  | Maximal number of non-zero basis functions:     1386 in task  1348
  | Maximal number of non-zero basis functions:     1398 in task  1349
  | Maximal number of non-zero basis functions:     1416 in task  1350
  | Maximal number of non-zero basis functions:     1428 in task  1351
  | Maximal number of non-zero basis functions:     1450 in task  1352
  | Maximal number of non-zero basis functions:     1431 in task  1353
  | Maximal number of non-zero basis functions:     1386 in task  1354
  | Maximal number of non-zero basis functions:     1418 in task  1355
  | Maximal number of non-zero basis functions:     1406 in task  1356
  | Maximal number of non-zero basis functions:     1426 in task  1357
  | Maximal number of non-zero basis functions:     1357 in task  1358
  | Maximal number of non-zero basis functions:     1420 in task  1359
  | Maximal number of non-zero basis functions:     1362 in task  1360
  | Maximal number of non-zero basis functions:     1441 in task  1361
  | Maximal number of non-zero basis functions:     1449 in task  1362
  | Maximal number of non-zero basis functions:     1389 in task  1363
  | Maximal number of non-zero basis functions:     1425 in task  1364
  | Maximal number of non-zero basis functions:     1439 in task  1365
  | Maximal number of non-zero basis functions:     1472 in task  1366
  | Maximal number of non-zero basis functions:     1472 in task  1367
  | Maximal number of non-zero basis functions:     1456 in task  1368
  | Maximal number of non-zero basis functions:     1466 in task  1369
  | Maximal number of non-zero basis functions:     1465 in task  1370
  | Maximal number of non-zero basis functions:     1456 in task  1371
  | Maximal number of non-zero basis functions:     1460 in task  1372
  | Maximal number of non-zero basis functions:     1493 in task  1373
  | Maximal number of non-zero basis functions:     1471 in task  1374
  | Maximal number of non-zero basis functions:     1415 in task  1375
  | Maximal number of non-zero basis functions:     1450 in task  1376
  | Maximal number of non-zero basis functions:     1374 in task  1377
  | Maximal number of non-zero basis functions:     1401 in task  1378
  | Maximal number of non-zero basis functions:     1401 in task  1379
  | Maximal number of non-zero basis functions:     1420 in task  1380
  | Maximal number of non-zero basis functions:     1431 in task  1381
  | Maximal number of non-zero basis functions:     1480 in task  1382
  | Maximal number of non-zero basis functions:     1424 in task  1383
  | Maximal number of non-zero basis functions:     1397 in task  1384
  | Maximal number of non-zero basis functions:     1405 in task  1385
  | Maximal number of non-zero basis functions:     1326 in task  1386
  | Maximal number of non-zero basis functions:     1378 in task  1387
  | Maximal number of non-zero basis functions:     1333 in task  1388
  | Maximal number of non-zero basis functions:     1438 in task  1389
  | Maximal number of non-zero basis functions:     1356 in task  1390
  | Maximal number of non-zero basis functions:     1365 in task  1391
  | Maximal number of non-zero basis functions:     1400 in task  1392
  | Maximal number of non-zero basis functions:     1399 in task  1393
  | Maximal number of non-zero basis functions:     1372 in task  1394
  | Maximal number of non-zero basis functions:     1365 in task  1395
  | Maximal number of non-zero basis functions:     1382 in task  1396
  | Maximal number of non-zero basis functions:     1386 in task  1397
  | Maximal number of non-zero basis functions:     1389 in task  1398
  | Maximal number of non-zero basis functions:     1439 in task  1399
  | Maximal number of non-zero basis functions:     1427 in task  1400
  | Maximal number of non-zero basis functions:     1417 in task  1401
  | Maximal number of non-zero basis functions:     1424 in task  1402
  | Maximal number of non-zero basis functions:     1416 in task  1403
  | Maximal number of non-zero basis functions:     1410 in task  1404
  | Maximal number of non-zero basis functions:     1393 in task  1405
  | Maximal number of non-zero basis functions:     1388 in task  1406
  | Maximal number of non-zero basis functions:     1408 in task  1407
  | Maximal number of non-zero basis functions:     1324 in task  1408
  | Maximal number of non-zero basis functions:     1486 in task  1409
  | Maximal number of non-zero basis functions:     1373 in task  1410
  | Maximal number of non-zero basis functions:     1440 in task  1411
  | Maximal number of non-zero basis functions:     1337 in task  1412
  | Maximal number of non-zero basis functions:     1369 in task  1413
  | Maximal number of non-zero basis functions:     1347 in task  1414
  | Maximal number of non-zero basis functions:     1386 in task  1415
  | Maximal number of non-zero basis functions:     1317 in task  1416
  | Maximal number of non-zero basis functions:     1391 in task  1417
  | Maximal number of non-zero basis functions:     1461 in task  1418
  | Maximal number of non-zero basis functions:     1410 in task  1419
  | Maximal number of non-zero basis functions:     1234 in task  1420
  | Maximal number of non-zero basis functions:     1411 in task  1421
  | Maximal number of non-zero basis functions:     1417 in task  1422
  | Maximal number of non-zero basis functions:     1381 in task  1423
  | Maximal number of non-zero basis functions:     1344 in task  1424
  | Maximal number of non-zero basis functions:     1406 in task  1425
  | Maximal number of non-zero basis functions:     1452 in task  1426
  | Maximal number of non-zero basis functions:     1357 in task  1427
  | Maximal number of non-zero basis functions:     1363 in task  1428
  | Maximal number of non-zero basis functions:     1328 in task  1429
  | Maximal number of non-zero basis functions:     1422 in task  1430
  | Maximal number of non-zero basis functions:     1272 in task  1431
  | Maximal number of non-zero basis functions:     1432 in task  1432
  | Maximal number of non-zero basis functions:     1434 in task  1433
  | Maximal number of non-zero basis functions:     1410 in task  1434
  | Maximal number of non-zero basis functions:     1460 in task  1435
  | Maximal number of non-zero basis functions:     1377 in task  1436
  | Maximal number of non-zero basis functions:     1375 in task  1437
  | Maximal number of non-zero basis functions:     1384 in task  1438
  | Maximal number of non-zero basis functions:     1388 in task  1439
  | Maximal number of non-zero basis functions:     1388 in task  1440
  | Maximal number of non-zero basis functions:     1377 in task  1441
  | Maximal number of non-zero basis functions:     1384 in task  1442
  | Maximal number of non-zero basis functions:     1424 in task  1443
  | Maximal number of non-zero basis functions:     1433 in task  1444
  | Maximal number of non-zero basis functions:     1387 in task  1445
  | Maximal number of non-zero basis functions:     1404 in task  1446
  | Maximal number of non-zero basis functions:     1308 in task  1447
  | Maximal number of non-zero basis functions:     1344 in task  1448
  | Maximal number of non-zero basis functions:     1398 in task  1449
  | Maximal number of non-zero basis functions:     1420 in task  1450
  | Maximal number of non-zero basis functions:     1384 in task  1451
  | Maximal number of non-zero basis functions:     1416 in task  1452
  | Maximal number of non-zero basis functions:     1415 in task  1453
  | Maximal number of non-zero basis functions:     1392 in task  1454
  | Maximal number of non-zero basis functions:     1451 in task  1455
  | Maximal number of non-zero basis functions:     1386 in task  1456
  | Maximal number of non-zero basis functions:     1391 in task  1457
  | Maximal number of non-zero basis functions:     1392 in task  1458
  | Maximal number of non-zero basis functions:     1403 in task  1459
  | Maximal number of non-zero basis functions:     1255 in task  1460
  | Maximal number of non-zero basis functions:     1394 in task  1461
  | Maximal number of non-zero basis functions:     1421 in task  1462
  | Maximal number of non-zero basis functions:     1303 in task  1463
  | Maximal number of non-zero basis functions:     1478 in task  1464
  | Maximal number of non-zero basis functions:     1322 in task  1465
  | Maximal number of non-zero basis functions:     1400 in task  1466
  | Maximal number of non-zero basis functions:     1437 in task  1467
  | Maximal number of non-zero basis functions:     1318 in task  1468
  | Maximal number of non-zero basis functions:     1387 in task  1469
  | Maximal number of non-zero basis functions:     1393 in task  1470
  | Maximal number of non-zero basis functions:     1292 in task  1471
  | Maximal number of non-zero basis functions:     1427 in task  1472
  | Maximal number of non-zero basis functions:     1375 in task  1473
  | Maximal number of non-zero basis functions:     1361 in task  1474
  | Maximal number of non-zero basis functions:     1404 in task  1475
  | Maximal number of non-zero basis functions:     1425 in task  1476
  | Maximal number of non-zero basis functions:     1407 in task  1477
  | Maximal number of non-zero basis functions:     1440 in task  1478
  | Maximal number of non-zero basis functions:     1386 in task  1479
  | Maximal number of non-zero basis functions:     1299 in task  1480
  | Maximal number of non-zero basis functions:     1431 in task  1481
  | Maximal number of non-zero basis functions:     1409 in task  1482
  | Maximal number of non-zero basis functions:     1473 in task  1483
  | Maximal number of non-zero basis functions:     1400 in task  1484
  | Maximal number of non-zero basis functions:     1352 in task  1485
  | Maximal number of non-zero basis functions:     1223 in task  1486
  | Maximal number of non-zero basis functions:     1389 in task  1487
  | Maximal number of non-zero basis functions:     1324 in task  1488
  | Maximal number of non-zero basis functions:     1398 in task  1489
  | Maximal number of non-zero basis functions:     1288 in task  1490
  | Maximal number of non-zero basis functions:     1337 in task  1491
  | Maximal number of non-zero basis functions:     1383 in task  1492
  | Maximal number of non-zero basis functions:     1415 in task  1493
  | Maximal number of non-zero basis functions:     1439 in task  1494
  | Maximal number of non-zero basis functions:     1436 in task  1495
  | Maximal number of non-zero basis functions:     1455 in task  1496
  | Maximal number of non-zero basis functions:     1344 in task  1497
  | Maximal number of non-zero basis functions:     1400 in task  1498
  | Maximal number of non-zero basis functions:     1375 in task  1499
  | Maximal number of non-zero basis functions:     1366 in task  1500
  | Maximal number of non-zero basis functions:     1395 in task  1501
  | Maximal number of non-zero basis functions:     1429 in task  1502
  | Maximal number of non-zero basis functions:     1430 in task  1503
  | Maximal number of non-zero basis functions:     1381 in task  1504
  | Maximal number of non-zero basis functions:     1337 in task  1505
  | Maximal number of non-zero basis functions:     1298 in task  1506
  | Maximal number of non-zero basis functions:     1366 in task  1507
  | Maximal number of non-zero basis functions:     1319 in task  1508
  | Maximal number of non-zero basis functions:     1241 in task  1509
  | Maximal number of non-zero basis functions:     1370 in task  1510
  | Maximal number of non-zero basis functions:     1425 in task  1511
  | Maximal number of non-zero basis functions:     1261 in task  1512
  | Maximal number of non-zero basis functions:     1348 in task  1513
  | Maximal number of non-zero basis functions:     1301 in task  1514
  | Maximal number of non-zero basis functions:     1233 in task  1515
  | Maximal number of non-zero basis functions:     1420 in task  1516
  | Maximal number of non-zero basis functions:     1395 in task  1517
  | Maximal number of non-zero basis functions:     1411 in task  1518
  | Maximal number of non-zero basis functions:     1393 in task  1519
  | Maximal number of non-zero basis functions:     1367 in task  1520
  | Maximal number of non-zero basis functions:     1414 in task  1521
  | Maximal number of non-zero basis functions:     1401 in task  1522
  | Maximal number of non-zero basis functions:     1425 in task  1523
  | Maximal number of non-zero basis functions:     1296 in task  1524
  | Maximal number of non-zero basis functions:     1345 in task  1525
  | Maximal number of non-zero basis functions:     1427 in task  1526
  | Maximal number of non-zero basis functions:     1246 in task  1527
  | Maximal number of non-zero basis functions:     1316 in task  1528
  | Maximal number of non-zero basis functions:     1353 in task  1529
  | Maximal number of non-zero basis functions:     1265 in task  1530
  | Maximal number of non-zero basis functions:     1247 in task  1531
  | Maximal number of non-zero basis functions:     1301 in task  1532
  | Maximal number of non-zero basis functions:     1410 in task  1533
  | Maximal number of non-zero basis functions:     1401 in task  1534
  | Maximal number of non-zero basis functions:     1136 in task  1535
  | Maximal number of non-zero basis functions:     1355 in task  1536
  | Maximal number of non-zero basis functions:     1291 in task  1537
  | Maximal number of non-zero basis functions:     1209 in task  1538
  | Maximal number of non-zero basis functions:     1256 in task  1539
  | Maximal number of non-zero basis functions:     1429 in task  1540
  | Maximal number of non-zero basis functions:     1455 in task  1541
  | Maximal number of non-zero basis functions:     1360 in task  1542
  | Maximal number of non-zero basis functions:     1319 in task  1543
  | Maximal number of non-zero basis functions:     1159 in task  1544
  | Maximal number of non-zero basis functions:     1352 in task  1545
  | Maximal number of non-zero basis functions:     1329 in task  1546
  | Maximal number of non-zero basis functions:     1250 in task  1547
  | Maximal number of non-zero basis functions:     1195 in task  1548
  | Maximal number of non-zero basis functions:     1406 in task  1549
  | Maximal number of non-zero basis functions:     1241 in task  1550
  | Maximal number of non-zero basis functions:     1387 in task  1551
  | Maximal number of non-zero basis functions:     1398 in task  1552
  | Maximal number of non-zero basis functions:     1410 in task  1553
  | Maximal number of non-zero basis functions:     1419 in task  1554
  | Maximal number of non-zero basis functions:     1441 in task  1555
  | Maximal number of non-zero basis functions:     1361 in task  1556
  | Maximal number of non-zero basis functions:     1334 in task  1557
  | Maximal number of non-zero basis functions:     1419 in task  1558
  | Maximal number of non-zero basis functions:     1431 in task  1559
  | Maximal number of non-zero basis functions:     1333 in task  1560
  | Maximal number of non-zero basis functions:     1385 in task  1561
  | Maximal number of non-zero basis functions:     1394 in task  1562
  | Maximal number of non-zero basis functions:     1459 in task  1563
  | Maximal number of non-zero basis functions:     1400 in task  1564
  | Maximal number of non-zero basis functions:     1386 in task  1565
  | Maximal number of non-zero basis functions:     1336 in task  1566
  | Maximal number of non-zero basis functions:     1285 in task  1567
  | Maximal number of non-zero basis functions:     1493 in task  1568
  | Maximal number of non-zero basis functions:     1417 in task  1569
  | Maximal number of non-zero basis functions:     1424 in task  1570
  | Maximal number of non-zero basis functions:     1358 in task  1571
  | Maximal number of non-zero basis functions:     1447 in task  1572
  | Maximal number of non-zero basis functions:     1377 in task  1573
  | Maximal number of non-zero basis functions:     1382 in task  1574
  | Maximal number of non-zero basis functions:     1472 in task  1575
  | Maximal number of non-zero basis functions:     1347 in task  1576
  | Maximal number of non-zero basis functions:     1419 in task  1577
  | Maximal number of non-zero basis functions:     1258 in task  1578
  | Maximal number of non-zero basis functions:     1306 in task  1579
  | Maximal number of non-zero basis functions:     1371 in task  1580
  | Maximal number of non-zero basis functions:     1438 in task  1581
  | Maximal number of non-zero basis functions:     1388 in task  1582
  | Maximal number of non-zero basis functions:     1272 in task  1583
  | Maximal number of non-zero basis functions:     1466 in task  1584
  | Maximal number of non-zero basis functions:     1393 in task  1585
  | Maximal number of non-zero basis functions:     1250 in task  1586
  | Maximal number of non-zero basis functions:     1390 in task  1587
  | Maximal number of non-zero basis functions:     1398 in task  1588
  | Maximal number of non-zero basis functions:     1433 in task  1589
  | Maximal number of non-zero basis functions:     1343 in task  1590
  | Maximal number of non-zero basis functions:     1429 in task  1591
  | Maximal number of non-zero basis functions:     1383 in task  1592
  | Maximal number of non-zero basis functions:     1322 in task  1593
  | Maximal number of non-zero basis functions:     1375 in task  1594
  | Maximal number of non-zero basis functions:     1358 in task  1595
  | Maximal number of non-zero basis functions:     1355 in task  1596
  | Maximal number of non-zero basis functions:     1246 in task  1597
  | Maximal number of non-zero basis functions:     1373 in task  1598
  | Maximal number of non-zero basis functions:     1413 in task  1599
  | Maximal number of non-zero basis functions:     1273 in task  1600
  | Maximal number of non-zero basis functions:     1337 in task  1601
  | Maximal number of non-zero basis functions:     1323 in task  1602
  | Maximal number of non-zero basis functions:     1384 in task  1603
  | Maximal number of non-zero basis functions:     1473 in task  1604
  | Maximal number of non-zero basis functions:     1356 in task  1605
  | Maximal number of non-zero basis functions:     1408 in task  1606
  | Maximal number of non-zero basis functions:     1455 in task  1607
  | Maximal number of non-zero basis functions:     1449 in task  1608
  | Maximal number of non-zero basis functions:     1349 in task  1609
  | Maximal number of non-zero basis functions:     1456 in task  1610
  | Maximal number of non-zero basis functions:     1391 in task  1611
  | Maximal number of non-zero basis functions:     1382 in task  1612
  | Maximal number of non-zero basis functions:     1394 in task  1613
  | Maximal number of non-zero basis functions:     1433 in task  1614
  | Maximal number of non-zero basis functions:     1430 in task  1615
  | Maximal number of non-zero basis functions:     1359 in task  1616
  | Maximal number of non-zero basis functions:     1399 in task  1617
  | Maximal number of non-zero basis functions:     1322 in task  1618
  | Maximal number of non-zero basis functions:     1410 in task  1619
  | Maximal number of non-zero basis functions:     1389 in task  1620
  | Maximal number of non-zero basis functions:     1428 in task  1621
  | Maximal number of non-zero basis functions:     1387 in task  1622
  | Maximal number of non-zero basis functions:     1403 in task  1623
  | Maximal number of non-zero basis functions:     1381 in task  1624
  | Maximal number of non-zero basis functions:     1409 in task  1625
  | Maximal number of non-zero basis functions:     1383 in task  1626
  | Maximal number of non-zero basis functions:     1428 in task  1627
  | Maximal number of non-zero basis functions:     1414 in task  1628
  | Maximal number of non-zero basis functions:     1428 in task  1629
  | Maximal number of non-zero basis functions:     1321 in task  1630
  | Maximal number of non-zero basis functions:     1349 in task  1631
  | Maximal number of non-zero basis functions:     1356 in task  1632
  | Maximal number of non-zero basis functions:     1359 in task  1633
  | Maximal number of non-zero basis functions:     1329 in task  1634
  | Maximal number of non-zero basis functions:     1395 in task  1635
  | Maximal number of non-zero basis functions:     1412 in task  1636
  | Maximal number of non-zero basis functions:     1394 in task  1637
  | Maximal number of non-zero basis functions:     1311 in task  1638
  | Maximal number of non-zero basis functions:     1391 in task  1639
  | Maximal number of non-zero basis functions:     1438 in task  1640
  | Maximal number of non-zero basis functions:     1279 in task  1641
  | Maximal number of non-zero basis functions:     1398 in task  1642
  | Maximal number of non-zero basis functions:     1376 in task  1643
  | Maximal number of non-zero basis functions:     1437 in task  1644
  | Maximal number of non-zero basis functions:     1344 in task  1645
  | Maximal number of non-zero basis functions:     1400 in task  1646
  | Maximal number of non-zero basis functions:     1425 in task  1647
  | Maximal number of non-zero basis functions:     1400 in task  1648
  | Maximal number of non-zero basis functions:     1415 in task  1649
  | Maximal number of non-zero basis functions:     1409 in task  1650
  | Maximal number of non-zero basis functions:     1405 in task  1651
  | Maximal number of non-zero basis functions:     1377 in task  1652
  | Maximal number of non-zero basis functions:     1424 in task  1653
  | Maximal number of non-zero basis functions:     1406 in task  1654
  | Maximal number of non-zero basis functions:     1440 in task  1655
  | Maximal number of non-zero basis functions:     1371 in task  1656
  | Maximal number of non-zero basis functions:     1415 in task  1657
  | Maximal number of non-zero basis functions:     1373 in task  1658
  | Maximal number of non-zero basis functions:     1399 in task  1659
  | Maximal number of non-zero basis functions:     1380 in task  1660
  | Maximal number of non-zero basis functions:     1404 in task  1661
  | Maximal number of non-zero basis functions:     1368 in task  1662
  | Maximal number of non-zero basis functions:     1402 in task  1663
  | Maximal number of non-zero basis functions:     1386 in task  1664
  | Maximal number of non-zero basis functions:     1432 in task  1665
  | Maximal number of non-zero basis functions:     1337 in task  1666
  | Maximal number of non-zero basis functions:     1355 in task  1667
  | Maximal number of non-zero basis functions:     1413 in task  1668
  | Maximal number of non-zero basis functions:     1273 in task  1669
  | Maximal number of non-zero basis functions:     1391 in task  1670
  | Maximal number of non-zero basis functions:     1372 in task  1671
  | Maximal number of non-zero basis functions:     1365 in task  1672
  | Maximal number of non-zero basis functions:     1366 in task  1673
  | Maximal number of non-zero basis functions:     1421 in task  1674
  | Maximal number of non-zero basis functions:     1334 in task  1675
  | Maximal number of non-zero basis functions:     1417 in task  1676
  | Maximal number of non-zero basis functions:     1429 in task  1677
  | Maximal number of non-zero basis functions:     1363 in task  1678
  | Maximal number of non-zero basis functions:     1424 in task  1679
  | Maximal number of non-zero basis functions:     1416 in task  1680
  | Maximal number of non-zero basis functions:     1438 in task  1681
  | Maximal number of non-zero basis functions:     1372 in task  1682
  | Maximal number of non-zero basis functions:     1430 in task  1683
  | Maximal number of non-zero basis functions:     1380 in task  1684
  | Maximal number of non-zero basis functions:     1454 in task  1685
  | Maximal number of non-zero basis functions:     1430 in task  1686
  | Maximal number of non-zero basis functions:     1443 in task  1687
  | Maximal number of non-zero basis functions:     1375 in task  1688
  | Maximal number of non-zero basis functions:     1388 in task  1689
  | Maximal number of non-zero basis functions:     1428 in task  1690
  | Maximal number of non-zero basis functions:     1443 in task  1691
  | Maximal number of non-zero basis functions:     1423 in task  1692
  | Maximal number of non-zero basis functions:     1382 in task  1693
  | Maximal number of non-zero basis functions:     1403 in task  1694
  | Maximal number of non-zero basis functions:     1467 in task  1695
  | Maximal number of non-zero basis functions:     1401 in task  1696
  | Maximal number of non-zero basis functions:     1458 in task  1697
  | Maximal number of non-zero basis functions:     1421 in task  1698
  | Maximal number of non-zero basis functions:     1527 in task  1699
  | Maximal number of non-zero basis functions:     1432 in task  1700
  | Maximal number of non-zero basis functions:     1413 in task  1701
  | Maximal number of non-zero basis functions:     1400 in task  1702
  | Maximal number of non-zero basis functions:     1434 in task  1703
  | Maximal number of non-zero basis functions:     1360 in task  1704
  | Maximal number of non-zero basis functions:     1417 in task  1705
  | Maximal number of non-zero basis functions:     1386 in task  1706
  | Maximal number of non-zero basis functions:     1379 in task  1707
  | Maximal number of non-zero basis functions:     1468 in task  1708
  | Maximal number of non-zero basis functions:     1270 in task  1709
  | Maximal number of non-zero basis functions:     1414 in task  1710
  | Maximal number of non-zero basis functions:     1363 in task  1711
  | Maximal number of non-zero basis functions:     1296 in task  1712
  | Maximal number of non-zero basis functions:     1289 in task  1713
  | Maximal number of non-zero basis functions:     1414 in task  1714
  | Maximal number of non-zero basis functions:     1417 in task  1715
  | Maximal number of non-zero basis functions:     1354 in task  1716
  | Maximal number of non-zero basis functions:     1424 in task  1717
  | Maximal number of non-zero basis functions:     1408 in task  1718
  | Maximal number of non-zero basis functions:     1420 in task  1719
  | Maximal number of non-zero basis functions:     1407 in task  1720
  | Maximal number of non-zero basis functions:     1434 in task  1721
  | Maximal number of non-zero basis functions:     1439 in task  1722
  | Maximal number of non-zero basis functions:     1476 in task  1723
  | Maximal number of non-zero basis functions:     1427 in task  1724
  | Maximal number of non-zero basis functions:     1446 in task  1725
  | Maximal number of non-zero basis functions:     1425 in task  1726
  | Maximal number of non-zero basis functions:     1445 in task  1727
  | Maximal number of non-zero basis functions:     1426 in task  1728
  | Maximal number of non-zero basis functions:     1327 in task  1729
  | Maximal number of non-zero basis functions:     1393 in task  1730
  | Maximal number of non-zero basis functions:     1449 in task  1731
  | Maximal number of non-zero basis functions:     1438 in task  1732
  | Maximal number of non-zero basis functions:     1398 in task  1733
  | Maximal number of non-zero basis functions:     1436 in task  1734
  | Maximal number of non-zero basis functions:     1428 in task  1735
  | Maximal number of non-zero basis functions:     1384 in task  1736
  | Maximal number of non-zero basis functions:     1436 in task  1737
  | Maximal number of non-zero basis functions:     1371 in task  1738
  | Maximal number of non-zero basis functions:     1407 in task  1739
  | Maximal number of non-zero basis functions:     1388 in task  1740
  | Maximal number of non-zero basis functions:     1415 in task  1741
  | Maximal number of non-zero basis functions:     1416 in task  1742
  | Maximal number of non-zero basis functions:     1362 in task  1743
  | Maximal number of non-zero basis functions:     1419 in task  1744
  | Maximal number of non-zero basis functions:     1348 in task  1745
  | Maximal number of non-zero basis functions:     1543 in task  1746
  | Maximal number of non-zero basis functions:     1328 in task  1747
  | Maximal number of non-zero basis functions:     1270 in task  1748
  | Maximal number of non-zero basis functions:     1398 in task  1749
  | Maximal number of non-zero basis functions:     1318 in task  1750
  | Maximal number of non-zero basis functions:     1325 in task  1751
  | Maximal number of non-zero basis functions:     1296 in task  1752
  | Maximal number of non-zero basis functions:     1374 in task  1753
  | Maximal number of non-zero basis functions:     1403 in task  1754
  | Maximal number of non-zero basis functions:     1320 in task  1755
  | Maximal number of non-zero basis functions:     1360 in task  1756
  | Maximal number of non-zero basis functions:     1415 in task  1757
  | Maximal number of non-zero basis functions:     1369 in task  1758
  | Maximal number of non-zero basis functions:     1427 in task  1759
  | Maximal number of non-zero basis functions:     1543 in task  1760
  | Maximal number of non-zero basis functions:     1527 in task  1761
  | Maximal number of non-zero basis functions:     1392 in task  1762
  | Maximal number of non-zero basis functions:     1420 in task  1763
  | Maximal number of non-zero basis functions:     1430 in task  1764
  | Maximal number of non-zero basis functions:     1425 in task  1765
  | Maximal number of non-zero basis functions:     1406 in task  1766
  | Maximal number of non-zero basis functions:     1440 in task  1767
  | Maximal number of non-zero basis functions:     1371 in task  1768
  | Maximal number of non-zero basis functions:     1418 in task  1769
  | Maximal number of non-zero basis functions:     1391 in task  1770
  | Maximal number of non-zero basis functions:     1399 in task  1771
  | Maximal number of non-zero basis functions:     1425 in task  1772
  | Maximal number of non-zero basis functions:     1395 in task  1773
  | Maximal number of non-zero basis functions:     1408 in task  1774
  | Maximal number of non-zero basis functions:     1401 in task  1775
  | Maximal number of non-zero basis functions:     1423 in task  1776
  | Maximal number of non-zero basis functions:     1430 in task  1777
  | Maximal number of non-zero basis functions:     1335 in task  1778
  | Maximal number of non-zero basis functions:     1378 in task  1779
  | Maximal number of non-zero basis functions:     1420 in task  1780
  | Maximal number of non-zero basis functions:     1273 in task  1781
  | Maximal number of non-zero basis functions:     1405 in task  1782
  | Maximal number of non-zero basis functions:     1273 in task  1783
  | Maximal number of non-zero basis functions:     1376 in task  1784
  | Maximal number of non-zero basis functions:     1345 in task  1785
  | Maximal number of non-zero basis functions:     1401 in task  1786
  | Maximal number of non-zero basis functions:     1330 in task  1787
  | Maximal number of non-zero basis functions:     1402 in task  1788
  | Maximal number of non-zero basis functions:     1449 in task  1789
  | Maximal number of non-zero basis functions:     1365 in task  1790
  | Maximal number of non-zero basis functions:     1424 in task  1791
  | Maximal number of non-zero basis functions:     1428 in task  1792
  | Maximal number of non-zero basis functions:     1438 in task  1793
  | Maximal number of non-zero basis functions:     1372 in task  1794
  | Maximal number of non-zero basis functions:     1405 in task  1795
  | Maximal number of non-zero basis functions:     1380 in task  1796
  | Maximal number of non-zero basis functions:     1454 in task  1797
  | Maximal number of non-zero basis functions:     1389 in task  1798
  | Maximal number of non-zero basis functions:     1426 in task  1799
  | Maximal number of non-zero basis functions:     1387 in task  1800
  | Maximal number of non-zero basis functions:     1427 in task  1801
  | Maximal number of non-zero basis functions:     1458 in task  1802
  | Maximal number of non-zero basis functions:     1408 in task  1803
  | Maximal number of non-zero basis functions:     1383 in task  1804
  | Maximal number of non-zero basis functions:     1382 in task  1805
  | Maximal number of non-zero basis functions:     1389 in task  1806
  | Maximal number of non-zero basis functions:     1349 in task  1807
  | Maximal number of non-zero basis functions:     1336 in task  1808
  | Maximal number of non-zero basis functions:     1378 in task  1809
  | Maximal number of non-zero basis functions:     1356 in task  1810
  | Maximal number of non-zero basis functions:     1427 in task  1811
  | Maximal number of non-zero basis functions:     1329 in task  1812
  | Maximal number of non-zero basis functions:     1356 in task  1813
  | Maximal number of non-zero basis functions:     1395 in task  1814
  | Maximal number of non-zero basis functions:     1254 in task  1815
  | Maximal number of non-zero basis functions:     1292 in task  1816
  | Maximal number of non-zero basis functions:     1386 in task  1817
  | Maximal number of non-zero basis functions:     1395 in task  1818
  | Maximal number of non-zero basis functions:     1279 in task  1819
  | Maximal number of non-zero basis functions:     1396 in task  1820
  | Maximal number of non-zero basis functions:     1416 in task  1821
  | Maximal number of non-zero basis functions:     1438 in task  1822
  | Maximal number of non-zero basis functions:     1344 in task  1823
  | Maximal number of non-zero basis functions:     1380 in task  1824
  | Maximal number of non-zero basis functions:     1452 in task  1825
  | Maximal number of non-zero basis functions:     1386 in task  1826
  | Maximal number of non-zero basis functions:     1428 in task  1827
  | Maximal number of non-zero basis functions:     1409 in task  1828
  | Maximal number of non-zero basis functions:     1405 in task  1829
  | Maximal number of non-zero basis functions:     1377 in task  1830
  | Maximal number of non-zero basis functions:     1424 in task  1831
  | Maximal number of non-zero basis functions:     1381 in task  1832
  | Maximal number of non-zero basis functions:     1378 in task  1833
  | Maximal number of non-zero basis functions:     1282 in task  1834
  | Maximal number of non-zero basis functions:     1395 in task  1835
  | Maximal number of non-zero basis functions:     1321 in task  1836
  | Maximal number of non-zero basis functions:     1403 in task  1837
  | Maximal number of non-zero basis functions:     1335 in task  1838
  | Maximal number of non-zero basis functions:     1258 in task  1839
  | Maximal number of non-zero basis functions:     1433 in task  1840
  | Maximal number of non-zero basis functions:     1398 in task  1841
  | Maximal number of non-zero basis functions:     1344 in task  1842
  | Maximal number of non-zero basis functions:     1348 in task  1843
  | Maximal number of non-zero basis functions:     1264 in task  1844
  | Maximal number of non-zero basis functions:     1430 in task  1845
  | Maximal number of non-zero basis functions:     1299 in task  1846
  | Maximal number of non-zero basis functions:     1330 in task  1847
  | Maximal number of non-zero basis functions:     1396 in task  1848
  | Maximal number of non-zero basis functions:     1487 in task  1849
  | Maximal number of non-zero basis functions:     1279 in task  1850
  | Maximal number of non-zero basis functions:     1371 in task  1851
  | Maximal number of non-zero basis functions:     1386 in task  1852
  | Maximal number of non-zero basis functions:     1276 in task  1853
  | Maximal number of non-zero basis functions:     1335 in task  1854
  | Maximal number of non-zero basis functions:     1272 in task  1855
  | Maximal number of non-zero basis functions:     1398 in task  1856
  | Maximal number of non-zero basis functions:     1417 in task  1857
  | Maximal number of non-zero basis functions:     1401 in task  1858
  | Maximal number of non-zero basis functions:     1445 in task  1859
  | Maximal number of non-zero basis functions:     1276 in task  1860
  | Maximal number of non-zero basis functions:     1256 in task  1861
  | Maximal number of non-zero basis functions:     1230 in task  1862
  | Maximal number of non-zero basis functions:     1431 in task  1863
  | Maximal number of non-zero basis functions:     1312 in task  1864
  | Maximal number of non-zero basis functions:     1273 in task  1865
  | Maximal number of non-zero basis functions:     1393 in task  1866
  | Maximal number of non-zero basis functions:     1395 in task  1867
  | Maximal number of non-zero basis functions:     1339 in task  1868
  | Maximal number of non-zero basis functions:     1383 in task  1869
  | Maximal number of non-zero basis functions:     1427 in task  1870
  | Maximal number of non-zero basis functions:     1467 in task  1871
  | Maximal number of non-zero basis functions:     1273 in task  1872
  | Maximal number of non-zero basis functions:     1405 in task  1873
  | Maximal number of non-zero basis functions:     1380 in task  1874
  | Maximal number of non-zero basis functions:     1356 in task  1875
  | Maximal number of non-zero basis functions:     1371 in task  1876
  | Maximal number of non-zero basis functions:     1313 in task  1877
  | Maximal number of non-zero basis functions:     1347 in task  1878
  | Maximal number of non-zero basis functions:     1400 in task  1879
  | Maximal number of non-zero basis functions:     1430 in task  1880
  | Maximal number of non-zero basis functions:     1360 in task  1881
  | Maximal number of non-zero basis functions:     1402 in task  1882
  | Maximal number of non-zero basis functions:     1376 in task  1883
  | Maximal number of non-zero basis functions:     1415 in task  1884
  | Maximal number of non-zero basis functions:     1268 in task  1885
  | Maximal number of non-zero basis functions:     1397 in task  1886
  | Maximal number of non-zero basis functions:     1262 in task  1887
  | Maximal number of non-zero basis functions:     1443 in task  1888
  | Maximal number of non-zero basis functions:     1278 in task  1889
  | Maximal number of non-zero basis functions:     1377 in task  1890
  | Maximal number of non-zero basis functions:     1431 in task  1891
  | Maximal number of non-zero basis functions:     1338 in task  1892
  | Maximal number of non-zero basis functions:     1433 in task  1893
  | Maximal number of non-zero basis functions:     1406 in task  1894
  | Maximal number of non-zero basis functions:     1339 in task  1895
  | Maximal number of non-zero basis functions:     1403 in task  1896
  | Maximal number of non-zero basis functions:     1359 in task  1897
  | Maximal number of non-zero basis functions:     1388 in task  1898
  | Maximal number of non-zero basis functions:     1356 in task  1899
  | Maximal number of non-zero basis functions:     1248 in task  1900
  | Maximal number of non-zero basis functions:     1171 in task  1901
  | Maximal number of non-zero basis functions:     1324 in task  1902
  | Maximal number of non-zero basis functions:     1299 in task  1903
  | Maximal number of non-zero basis functions:     1226 in task  1904
  | Maximal number of non-zero basis functions:     1236 in task  1905
  | Maximal number of non-zero basis functions:     1238 in task  1906
  | Maximal number of non-zero basis functions:     1412 in task  1907
  | Maximal number of non-zero basis functions:     1349 in task  1908
  | Maximal number of non-zero basis functions:     1215 in task  1909
  | Maximal number of non-zero basis functions:     1207 in task  1910
  | Maximal number of non-zero basis functions:     1172 in task  1911
  | Maximal number of non-zero basis functions:     1427 in task  1912
  | Maximal number of non-zero basis functions:     1217 in task  1913
  | Maximal number of non-zero basis functions:     1294 in task  1914
  | Maximal number of non-zero basis functions:     1190 in task  1915
  | Maximal number of non-zero basis functions:     1414 in task  1916
  | Maximal number of non-zero basis functions:     1193 in task  1917
  | Maximal number of non-zero basis functions:     1265 in task  1918
  | Maximal number of non-zero basis functions:     1304 in task  1919
  | Maximal number of non-zero basis functions:     1258 in task  1920
  | Maximal number of non-zero basis functions:     1301 in task  1921
  | Maximal number of non-zero basis functions:     1286 in task  1922
  | Maximal number of non-zero basis functions:     1260 in task  1923
  | Maximal number of non-zero basis functions:     1395 in task  1924
  | Maximal number of non-zero basis functions:     1223 in task  1925
  | Maximal number of non-zero basis functions:     1431 in task  1926
  | Maximal number of non-zero basis functions:     1389 in task  1927
  | Maximal number of non-zero basis functions:     1244 in task  1928
  | Maximal number of non-zero basis functions:     1276 in task  1929
  | Maximal number of non-zero basis functions:     1381 in task  1930
  | Maximal number of non-zero basis functions:     1285 in task  1931
  | Maximal number of non-zero basis functions:     1268 in task  1932
  | Maximal number of non-zero basis functions:     1241 in task  1933
  | Maximal number of non-zero basis functions:     1283 in task  1934
  | Maximal number of non-zero basis functions:     1254 in task  1935
  | Maximal number of non-zero basis functions:     1395 in task  1936
  | Maximal number of non-zero basis functions:     1242 in task  1937
  | Maximal number of non-zero basis functions:     1415 in task  1938
  | Maximal number of non-zero basis functions:     1412 in task  1939
  | Maximal number of non-zero basis functions:     1433 in task  1940
  | Maximal number of non-zero basis functions:     1429 in task  1941
  | Maximal number of non-zero basis functions:     1327 in task  1942
  | Maximal number of non-zero basis functions:     1456 in task  1943
  | Maximal number of non-zero basis functions:     1388 in task  1944
  | Maximal number of non-zero basis functions:     1281 in task  1945
  | Maximal number of non-zero basis functions:     1373 in task  1946
  | Maximal number of non-zero basis functions:     1367 in task  1947
  | Maximal number of non-zero basis functions:     1417 in task  1948
  | Maximal number of non-zero basis functions:     1339 in task  1949
  | Maximal number of non-zero basis functions:     1487 in task  1950
  | Maximal number of non-zero basis functions:     1282 in task  1951
  | Maximal number of non-zero basis functions:     1427 in task  1952
  | Maximal number of non-zero basis functions:     1460 in task  1953
  | Maximal number of non-zero basis functions:     1278 in task  1954
  | Maximal number of non-zero basis functions:     1342 in task  1955
  | Maximal number of non-zero basis functions:     1340 in task  1956
  | Maximal number of non-zero basis functions:     1426 in task  1957
  | Maximal number of non-zero basis functions:     1400 in task  1958
  | Maximal number of non-zero basis functions:     1399 in task  1959
  | Maximal number of non-zero basis functions:     1369 in task  1960
  | Maximal number of non-zero basis functions:     1262 in task  1961
  | Maximal number of non-zero basis functions:     1402 in task  1962
  | Maximal number of non-zero basis functions:     1223 in task  1963
  | Maximal number of non-zero basis functions:     1337 in task  1964
  | Maximal number of non-zero basis functions:     1263 in task  1965
  | Maximal number of non-zero basis functions:     1239 in task  1966
  | Maximal number of non-zero basis functions:     1250 in task  1967
  | Maximal number of non-zero basis functions:     1403 in task  1968
  | Maximal number of non-zero basis functions:     1454 in task  1969
  | Maximal number of non-zero basis functions:     1402 in task  1970
  | Maximal number of non-zero basis functions:     1376 in task  1971
  | Maximal number of non-zero basis functions:     1427 in task  1972
  | Maximal number of non-zero basis functions:     1455 in task  1973
  | Maximal number of non-zero basis functions:     1411 in task  1974
  | Maximal number of non-zero basis functions:     1379 in task  1975
  | Maximal number of non-zero basis functions:     1388 in task  1976
  | Maximal number of non-zero basis functions:     1293 in task  1977
  | Maximal number of non-zero basis functions:     1413 in task  1978
  | Maximal number of non-zero basis functions:     1353 in task  1979
  | Maximal number of non-zero basis functions:     1411 in task  1980
  | Maximal number of non-zero basis functions:     1466 in task  1981
  | Maximal number of non-zero basis functions:     1399 in task  1982
  | Maximal number of non-zero basis functions:     1352 in task  1983
  | Maximal number of non-zero basis functions:     1393 in task  1984
  | Maximal number of non-zero basis functions:     1450 in task  1985
  | Maximal number of non-zero basis functions:     1355 in task  1986
  | Maximal number of non-zero basis functions:     1309 in task  1987
  | Maximal number of non-zero basis functions:     1468 in task  1988
  | Maximal number of non-zero basis functions:     1307 in task  1989
  | Maximal number of non-zero basis functions:     1382 in task  1990
  | Maximal number of non-zero basis functions:     1374 in task  1991
  | Maximal number of non-zero basis functions:     1285 in task  1992
  | Maximal number of non-zero basis functions:     1374 in task  1993
  | Maximal number of non-zero basis functions:     1255 in task  1994
  | Maximal number of non-zero basis functions:     1438 in task  1995
  | Maximal number of non-zero basis functions:     1468 in task  1996
  | Maximal number of non-zero basis functions:     1352 in task  1997
  | Maximal number of non-zero basis functions:     1345 in task  1998
  | Maximal number of non-zero basis functions:     1406 in task  1999
  | Maximal number of non-zero basis functions:     1273 in task  2000
  | Maximal number of non-zero basis functions:     1388 in task  2001
  | Maximal number of non-zero basis functions:     1287 in task  2002
  | Maximal number of non-zero basis functions:     1411 in task  2003
  | Maximal number of non-zero basis functions:     1221 in task  2004
  | Maximal number of non-zero basis functions:     1420 in task  2005
  | Maximal number of non-zero basis functions:     1331 in task  2006
  | Maximal number of non-zero basis functions:     1322 in task  2007
  | Maximal number of non-zero basis functions:     1266 in task  2008
  | Maximal number of non-zero basis functions:     1400 in task  2009
  | Maximal number of non-zero basis functions:     1383 in task  2010
  | Maximal number of non-zero basis functions:     1419 in task  2011
  | Maximal number of non-zero basis functions:     1257 in task  2012
  | Maximal number of non-zero basis functions:     1360 in task  2013
  | Maximal number of non-zero basis functions:     1318 in task  2014
  | Maximal number of non-zero basis functions:     1328 in task  2015
  | Maximal number of non-zero basis functions:     1331 in task  2016
  | Maximal number of non-zero basis functions:     1316 in task  2017
  | Maximal number of non-zero basis functions:     1316 in task  2018
  | Maximal number of non-zero basis functions:     1344 in task  2019
  | Maximal number of non-zero basis functions:     1296 in task  2020
  | Maximal number of non-zero basis functions:     1379 in task  2021
  | Maximal number of non-zero basis functions:     1323 in task  2022
  | Maximal number of non-zero basis functions:     1324 in task  2023
  | Maximal number of non-zero basis functions:     1441 in task  2024
  | Maximal number of non-zero basis functions:     1409 in task  2025
  | Maximal number of non-zero basis functions:     1377 in task  2026
  | Maximal number of non-zero basis functions:     1359 in task  2027
  | Maximal number of non-zero basis functions:     1361 in task  2028
  | Maximal number of non-zero basis functions:     1424 in task  2029
  | Maximal number of non-zero basis functions:     1406 in task  2030
  | Maximal number of non-zero basis functions:     1416 in task  2031
  | Maximal number of non-zero basis functions:     1424 in task  2032
  | Maximal number of non-zero basis functions:     1393 in task  2033
  | Maximal number of non-zero basis functions:     1410 in task  2034
  | Maximal number of non-zero basis functions:     1399 in task  2035
  | Maximal number of non-zero basis functions:     1404 in task  2036
  | Maximal number of non-zero basis functions:     1412 in task  2037
  | Maximal number of non-zero basis functions:     1339 in task  2038
  | Maximal number of non-zero basis functions:     1352 in task  2039
  | Maximal number of non-zero basis functions:     1361 in task  2040
  | Maximal number of non-zero basis functions:     1429 in task  2041
  | Maximal number of non-zero basis functions:     1337 in task  2042
  | Maximal number of non-zero basis functions:     1374 in task  2043
  | Maximal number of non-zero basis functions:     1347 in task  2044
  | Maximal number of non-zero basis functions:     1391 in task  2045
  | Maximal number of non-zero basis functions:     1327 in task  2046
  | Maximal number of non-zero basis functions:     1410 in task  2047
  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      290.673 s, elapsed      366.006 s
  Integrating overlap matrix.
  Time summed over all CPUs for integration: real work      227.045 s, elapsed      287.780 s
  Decreasing sparse matrix size:
  | Tolerance:  0.1000E-12
  Hamiltonian matrix
  | Array has  3118148 nonzero elements out of  3686533 elements
  | Sparsity factor is 0.154
  Overlap matrix
  | Array has  2915388 nonzero elements out of  3686533 elements
  | Sparsity factor is 0.209
  New size of hamiltonian matrix:     3125193
  Not deallocating overlap matrix.

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Singularity check in k-point 1 (analysis for other k-points may follow below):
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.5905E-04,  0.1080E+02
  Finished singularity check of overlap matrix
  | Time :     0.245 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.079 s
  Finished transformation to standard eigenproblem
  | Time :     0.067 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.61739216 eV
  Writing Kohn-Sham eigenvalues.
  K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  State    Occupation    Eigenvalue [Ha]    Eigenvalue [eV]
      1       2.00000       -1428.045081       -38859.08378
      2       2.00000       -1428.045081       -38859.08377
      3       2.00000       -1428.045081       -38859.08377
      4       2.00000       -1428.045081       -38859.08377
      5       2.00000        -668.263216       -18184.36731
      6       2.00000        -668.263216       -18184.36731
      7       2.00000        -668.263216       -18184.36731
      8       2.00000        -668.263216       -18184.36731
      9       2.00000        -218.054086        -5933.55357
     10       2.00000        -218.054086        -5933.55357
     11       2.00000        -218.054086        -5933.55357
     12       2.00000        -218.054086        -5933.55357
     13       2.00000        -195.440546        -5318.20785
     14       2.00000        -195.440546        -5318.20785
     15       2.00000        -195.440546        -5318.20785
     16       2.00000        -195.440546        -5318.20785
     17       2.00000        -195.440545        -5318.20782
     18       2.00000        -195.440545        -5318.20782
     19       2.00000        -195.440545        -5318.20782
     20       2.00000        -195.440545        -5318.20782
     21       2.00000        -195.440545        -5318.20782
     22       2.00000        -195.440545        -5318.20782
     23       2.00000        -195.440545        -5318.20782
     24       2.00000        -195.440545        -5318.20782
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     28       2.00000         -91.026343        -2476.95281
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     30       2.00000         -88.555768        -2409.72506
     31       2.00000         -88.555768        -2409.72505
     32       2.00000         -88.555768        -2409.72505
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     38       2.00000         -88.554547        -2409.69183
     39       2.00000         -88.554547        -2409.69183
     40       2.00000         -88.554547        -2409.69183
     41       2.00000         -81.166854        -2208.66246
     42       2.00000         -81.166854        -2208.66246
     43       2.00000         -81.166854        -2208.66246
     44       2.00000         -81.166854        -2208.66246
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     46       2.00000         -81.166842        -2208.66215
     47       2.00000         -81.166842        -2208.66215
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     50       2.00000         -81.166838        -2208.66204
     51       2.00000         -81.166838        -2208.66204
     52       2.00000         -81.166838        -2208.66204
     53       2.00000         -45.729192        -1244.35462
     54       2.00000         -45.729192        -1244.35462
     55       2.00000         -45.729192        -1244.35462
     56       2.00000         -45.729191        -1244.35461
     57       2.00000         -38.549323        -1048.98046
     58       2.00000         -38.549323        -1048.98046
     59       2.00000         -38.549323        -1048.98046
     60       2.00000         -38.549323        -1048.98046
     61       2.00000         -38.549316        -1048.98025
     62       2.00000         -38.549316        -1048.98025
     63       2.00000         -38.549316        -1048.98025
     64       2.00000         -38.549316        -1048.98025
     65       2.00000         -38.549313        -1048.98017
     66       2.00000         -38.549313        -1048.98017
     67       2.00000         -38.549313        -1048.98017
     68       2.00000         -38.549313        -1048.98017
     69       2.00000         -28.140000         -765.72836
     70       2.00000         -28.140000         -765.72836
     71       2.00000         -28.140000         -765.72836
     72       2.00000         -28.140000         -765.72836
     73       2.00000         -28.139999         -765.72834
     74       2.00000         -28.139999         -765.72834
     75       2.00000         -28.139999         -765.72834
     76       2.00000         -28.139999         -765.72834
     77       2.00000         -28.139997         -765.72829
     78       2.00000         -28.139997         -765.72829
     79       2.00000         -28.139997         -765.72829
     80       2.00000         -28.139997         -765.72829
     81       2.00000         -28.139993         -765.72816
     82       2.00000         -28.139993         -765.72816
     83       2.00000         -28.139993         -765.72816
     84       2.00000         -28.139993         -765.72816
     85       2.00000         -28.139992         -765.72816
     86       2.00000         -28.139992         -765.72816
     87       2.00000         -28.139992         -765.72816
     88       2.00000         -28.139992         -765.72815
     89       2.00000         -14.867171         -404.55630
     90       2.00000         -14.867170         -404.55629
     91       2.00000         -14.867170         -404.55629
     92       2.00000         -14.867170         -404.55628
     93       2.00000         -11.670841         -317.57974
     94       2.00000         -11.670841         -317.57974
     95       2.00000         -11.670841         -317.57973
     96       2.00000         -11.670841         -317.57973
     97       2.00000         -11.670722         -317.57651
     98       2.00000         -11.670722         -317.57651
     99       2.00000         -11.670722         -317.57651
    100       2.00000         -11.670722         -317.57651
    101       2.00000         -11.670679         -317.57534
    102       2.00000         -11.670679         -317.57534
    103       2.00000         -11.670679         -317.57534
    104       2.00000         -11.670679         -317.57533
    105       2.00000          -8.951324         -243.57791
    106       2.00000          -8.951324         -243.57791
    107       2.00000          -8.951323         -243.57790
    108       2.00000          -8.951323         -243.57789
    109       2.00000          -7.814308         -212.63814
    110       2.00000          -7.814308         -212.63814
    111       2.00000          -7.814306         -212.63810
    112       2.00000          -7.814306         -212.63809
    113       2.00000          -7.813024         -212.60321
    114       2.00000          -7.813024         -212.60321
    115       2.00000          -7.813024         -212.60321
    116       2.00000          -7.813024         -212.60320
    117       2.00000          -7.813022         -212.60315
    118       2.00000          -7.813022         -212.60315
    119       2.00000          -7.813022         -212.60315
    120       2.00000          -7.813022         -212.60314
    121       2.00000          -6.641781         -180.73205
    122       2.00000          -6.641781         -180.73205
    123       2.00000          -6.641781         -180.73205
    124       2.00000          -6.641781         -180.73205
    125       2.00000          -6.641729         -180.73063
    126       2.00000          -6.641728         -180.73063
    127       2.00000          -6.641728         -180.73063
    128       2.00000          -6.641728         -180.73062
    129       2.00000          -6.641707         -180.73005
    130       2.00000          -6.641707         -180.73005
    131       2.00000          -6.641707         -180.73005
    132       2.00000          -6.641707         -180.73005
    133       2.00000          -6.427257         -174.89456
    134       2.00000          -6.427257         -174.89456
    135       2.00000          -6.427257         -174.89456
    136       2.00000          -6.427257         -174.89456
    137       2.00000          -6.427247         -174.89429
    138       2.00000          -6.427247         -174.89429
    139       2.00000          -6.427247         -174.89429
    140       2.00000          -6.427247         -174.89429
    141       2.00000          -6.427200         -174.89301
    142       2.00000          -6.427200         -174.89301
    143       2.00000          -6.427200         -174.89300
    144       2.00000          -6.427200         -174.89300
    145       2.00000          -6.427127         -174.89103
    146       2.00000          -6.427127         -174.89102
    147       2.00000          -6.427127         -174.89102
    148       2.00000          -6.427127         -174.89102
    149       2.00000          -6.427090         -174.89001
    150       2.00000          -6.427090         -174.89001
    151       2.00000          -6.427090         -174.89001
    152       2.00000          -6.427090         -174.89001
    153       2.00000          -5.795176         -157.69475
    154       2.00000          -5.795175         -157.69475
    155       2.00000          -5.795175         -157.69474
    156       2.00000          -5.795175         -157.69474
    157       2.00000          -5.793818         -157.65782
    158       2.00000          -5.793818         -157.65782
    159       2.00000          -5.793818         -157.65781
    160       2.00000          -5.793818         -157.65781
    161       2.00000          -5.793818         -157.65781
    162       2.00000          -5.793818         -157.65780
    163       2.00000          -5.793818         -157.65780
    164       2.00000          -5.793818         -157.65780
    165       2.00000          -5.793213         -157.64135
    166       2.00000          -5.793213         -157.64135
    167       2.00000          -5.793213         -157.64135
    168       2.00000          -5.793213         -157.64134
    169       2.00000          -5.792792         -157.62989
    170       2.00000          -5.792792         -157.62989
    171       2.00000          -5.792792         -157.62989
    172       2.00000          -5.792792         -157.62989
    173       2.00000          -5.791785         -157.60249
    174       2.00000          -5.791785         -157.60248
    175       2.00000          -5.791785         -157.60248
    176       2.00000          -5.791785         -157.60248
    177       2.00000          -5.791785         -157.60248
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    179       2.00000          -5.791784         -157.60247
    180       2.00000          -5.791784         -157.60247
    181       2.00000          -5.791751         -157.60155
    182       2.00000          -5.791751         -157.60155
    183       2.00000          -5.791751         -157.60155
    184       2.00000          -5.791750         -157.60155
    185       2.00000          -5.791750         -157.60154
    186       2.00000          -5.791750         -157.60154
    187       2.00000          -5.791750         -157.60154
    188       2.00000          -5.791750         -157.60154
    189       2.00000          -3.294218          -89.64022
    190       2.00000          -3.294218          -89.64022
    191       2.00000          -3.294218          -89.64022
    192       2.00000          -3.294218          -89.64022
    193       2.00000          -3.294205          -89.63988
    194       2.00000          -3.294205          -89.63988
    195       2.00000          -3.294205          -89.63988
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    198       2.00000          -3.294173          -89.63901
    199       2.00000          -3.294173          -89.63900
    200       2.00000          -3.294173          -89.63900
    201       2.00000          -3.294127          -89.63777
    202       2.00000          -3.294127          -89.63777
    203       2.00000          -3.294127          -89.63777
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    206       2.00000          -3.294124          -89.63768
    207       2.00000          -3.294124          -89.63767
    208       2.00000          -3.294124          -89.63767
    209       2.00000          -2.023848          -55.07172
    210       2.00000          -2.023836          -55.07137
    211       2.00000          -2.023824          -55.07106
    212       2.00000          -2.023812          -55.07071
    213       2.00000          -1.247503          -33.94627
    214       2.00000          -1.247476          -33.94554
    215       2.00000          -1.247017          -33.93305
    216       2.00000          -1.246886          -33.92949
    217       2.00000          -1.227063          -33.39009
    218       2.00000          -1.226783          -33.38247
    219       2.00000          -1.226448          -33.37334
    220       2.00000          -1.226257          -33.36816
    221       2.00000          -1.225599          -33.35025
    222       2.00000          -1.225335          -33.34305
    223       2.00000          -1.225258          -33.34096
    224       2.00000          -1.224762          -33.32748
    225       2.00000          -1.224432          -33.31849
    226       2.00000          -1.224405          -33.31775
    227       2.00000          -1.224319          -33.31540
    228       2.00000          -1.224137          -33.31047
    229       2.00000          -0.770640          -20.97018
    230       2.00000          -0.762924          -20.76022
    231       2.00000          -0.751812          -20.45786
    232       2.00000          -0.748446          -20.36624
    233       2.00000          -0.746941          -20.32530
    234       2.00000          -0.744234          -20.25165
    235       2.00000          -0.737613          -20.07147
    236       2.00000          -0.734314          -19.98171
    237       2.00000          -0.728873          -19.83364
    238       2.00000          -0.728541          -19.82461
    239       2.00000          -0.725652          -19.74599
    240       2.00000          -0.722491          -19.65999
    241       2.00000          -0.708714          -19.28509
    242       2.00000          -0.705997          -19.21114
    243       2.00000          -0.705354          -19.19367
    244       2.00000          -0.704003          -19.15689
    245       2.00000          -0.700912          -19.07279
    246       2.00000          -0.700057          -19.04952
    247       2.00000          -0.698903          -19.01812
    248       2.00000          -0.695849          -18.93501
    249       2.00000          -0.692554          -18.84534
    250       2.00000          -0.681547          -18.54585
    251       2.00000          -0.679772          -18.49753
    252       2.00000          -0.677592          -18.43821
    253       2.00000          -0.469290          -12.77003
    254       2.00000          -0.453687          -12.34546
    255       2.00000          -0.443948          -12.08043
    256       2.00000          -0.439676          -11.96418
    257       2.00000          -0.424994          -11.56466
    258       2.00000          -0.424943          -11.56328
    259       2.00000          -0.422921          -11.50828
    260       2.00000          -0.414589          -11.28153
    261       2.00000          -0.413904          -11.26291
    262       2.00000          -0.412462          -11.22366
    263       2.00000          -0.405539          -11.03527
    264       2.00000          -0.398364          -10.84004
    265       2.00000          -0.398336          -10.83927
    266       2.00000          -0.397140          -10.80673
    267       2.00000          -0.394979          -10.74791
    268       2.00000          -0.387031          -10.53166
    269       2.00000          -0.386734          -10.52357
    270       2.00000          -0.382063          -10.39645
    271       2.00000          -0.378346          -10.29532
    272       2.00000          -0.374794          -10.19866
    273       2.00000          -0.373743          -10.17005
    274       2.00000          -0.370396          -10.07898
    275       2.00000          -0.357678           -9.73292
    276       2.00000          -0.356562           -9.70254
    277       2.00000          -0.346552           -9.43016
    278       2.00000          -0.344362           -9.37056
    279       2.00000          -0.344153           -9.36487
    280       2.00000          -0.329587           -8.96851
    281       2.00000          -0.327559           -8.91334
    282       2.00000          -0.326974           -8.89742
    283       2.00000          -0.325388           -8.85425
    284       2.00000          -0.323283           -8.79699
    285       2.00000          -0.319584           -8.69631
    286       2.00000          -0.316004           -8.59891
    287       2.00000          -0.315467           -8.58430
    288       2.00000          -0.314671           -8.56263
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    290       0.00000          -0.241020           -6.55849
    291       0.00000          -0.235258           -6.40169
    292       0.00000          -0.226842           -6.17269
    293       0.00000          -0.187523           -5.10277
    294       0.00000          -0.181363           -4.93514
    295       0.00000          -0.168569           -4.58700
    296       0.00000          -0.167303           -4.55254
    297       0.00000          -0.165190           -4.49504
    298       0.00000          -0.163221           -4.44147
    299       0.00000          -0.151676           -4.12732
    300       0.00000          -0.143761           -3.91194
    301       0.00000          -0.142011           -3.86431
    302       0.00000          -0.134731           -3.66621
    303       0.00000          -0.132848           -3.61497
    304       0.00000          -0.128849           -3.50616
    305       0.00000          -0.126632           -3.44583
    306       0.00000          -0.125442           -3.41345
    307       0.00000          -0.121278           -3.30015
    308       0.00000          -0.119843           -3.26109
    309       0.00000          -0.115761           -3.15002
    310       0.00000          -0.115012           -3.12963
    311       0.00000          -0.110095           -2.99583
    312       0.00000          -0.109586           -2.98199
    313       0.00000          -0.106814           -2.90656
    314       0.00000          -0.092314           -2.51198
    315       0.00000          -0.080983           -2.20366
    316       0.00000          -0.080786           -2.19830
    317       0.00000          -0.074308           -2.02202
    318       0.00000          -0.072360           -1.96902
    319       0.00000          -0.069181           -1.88252
    320       0.00000          -0.066293           -1.80391
    321       0.00000          -0.063571           -1.72984
    322       0.00000          -0.060960           -1.65880
    323       0.00000          -0.059900           -1.62995
    324       0.00000          -0.052455           -1.42737
    325       0.00000          -0.048841           -1.32902
    326       0.00000          -0.042723           -1.16256
    327       0.00000          -0.037684           -1.02543
    328       0.00000          -0.037620           -1.02369
    329       0.00000          -0.033437           -0.90987
    330       0.00000          -0.030892           -0.84062
    331       0.00000          -0.018206           -0.49541
    332       0.00000          -0.010233           -0.27846
    333       0.00000          -0.003878           -0.10553
    334       0.00000          -0.000408           -0.01110
    335       0.00000           0.000295            0.00803
    336       0.00000           0.002593            0.07056
    337       0.00000           0.004589            0.12487
    338       0.00000           0.017407            0.47366
    339       0.00000           0.020030            0.54504
    340       0.00000           0.022093            0.60119
    341       0.00000           0.023637            0.64318
    342       0.00000           0.026715            0.72694
    343       0.00000           0.030299            0.82448
    344       0.00000           0.033644            0.91551
    345       0.00000           0.033722            0.91763
    346       0.00000           0.036536            0.99420
    347       0.00000           0.038551            1.04903
    348       0.00000           0.040184            1.09347
    349       0.00000           0.040916            1.11337
    350       0.00000           0.047139            1.28271
    351       0.00000           0.047615            1.29566
    352       0.00000           0.047974            1.30545
    353       0.00000           0.049443            1.34542
    354       0.00000           0.051239            1.39428
    355       0.00000           0.052340            1.42424
    356       0.00000           0.056820            1.54616
    357       0.00000           0.059062            1.60716
    358       0.00000           0.059229            1.61170
    359       0.00000           0.060276            1.64018
    360       0.00000           0.060466            1.64537
    361       0.00000           0.061460            1.67240
    362       0.00000           0.064198            1.74693
    363       0.00000           0.064742            1.76171
    364       0.00000           0.064895            1.76588
    365       0.00000           0.065633            1.78595
    366       0.00000           0.067084            1.82544
    367       0.00000           0.068261            1.85748
    368       0.00000           0.068665            1.86847

  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -8.56262865 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.58051872 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      1.98210993 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.
  Calculating total energy contributions from superposition of free atom densities.

  Total energy components:
  | Sum of eigenvalues            :      -32164.64773966 Ha     -875244.59695086 eV
  | XC energy correction          :       -1534.57199546 Ha      -41757.82861127 eV
  | XC potential correction       :        2014.44079644 Ha       54815.72306439 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :          -0.00000000 Ha          -0.00000000 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.30585124 Ha    -1425531.12243710 eV
  | Total energy, T -> 0          :      -52387.30585124 Ha    -1425531.12243710 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.30585124 Ha    -1425531.12243710 eV

  Derived energy quantities:
  | Kinetic energy                :       54708.73020085 Ha     1488700.29300198 eV
  | Electrostatic energy          :     -105561.46405663 Ha    -2872473.58682781 eV
  | Energy correction for multipole
  | error in Hartree potential    :           0.00000000 Ha           0.00000000 eV
  | Sum of eigenvalues per atom                           :      -43762.22984754 eV
  | Total energy (T->0) per atom                          :      -71276.55612185 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.55612185 eV
  Initialize hartree_potential_storage
  Max. number of atoms included in rho_multipole:           20

  End scf initialization - timings             :  max(cpu_time)    wall_clock(cpu1)
  | Time for scf. initialization                :        2.458 s           2.505 s
  | Boundary condition initialization           :        0.293 s           0.293 s
  | Integration                                 :        0.767 s           0.767 s
  | Solution of K.-S. eqns.                     :        1.000 s           1.052 s
  | Grid partitioning                           :        0.206 s           0.205 s
  | Preloading free-atom quantities on grid     :        0.054 s           0.054 s
  | Free-atom superposition energy              :        0.004 s           0.004 s
  | Total energy evaluation                     :        0.007 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.797 MB (on task    3)
  |   Maximum:       72.190 MB (on task    8)
  |   Average:       70.204 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.034 s
  Time summed over all CPUs for getting density from density matrix: real work      472.847 s, elapsed      595.175 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Time for density update prior                :  max(cpu_time)    wall_clock(cpu1)
  | self-consistency iterative process          :        0.512 s           0.512 s

------------------------------------------------------------
          Begin self-consistency iteration #    1

  Date     :  20220720, Time     :  184339.911
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9977280075
  | Charge integration error                      :      -0.0022719925
  | Normalization factor for density and gradient :       1.0000039444

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.555448E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.788916E-07
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.555909E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      116.364 s, elapsed      147.232 s
  | RMS charge density error from multipole expansion :   0.628294E-03
  | Average real-space part of the electrostatic potential :      0.01899654 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.438 s, elapsed      348.360 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.277 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.66127895 eV
  Writing Kohn-Sham eigenvalues.
  K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  State    Occupation    Eigenvalue [Ha]    Eigenvalue [eV]
      1       2.00000       -1428.045054       -38859.08304
      2       2.00000       -1428.045054       -38859.08304
      3       2.00000       -1428.045054       -38859.08304
      4       2.00000       -1428.045054       -38859.08304
      5       2.00000        -668.272047       -18184.60762
      6       2.00000        -668.272047       -18184.60762
      7       2.00000        -668.272047       -18184.60762
      8       2.00000        -668.272047       -18184.60762
      9       2.00000        -218.054265        -5933.55845
     10       2.00000        -218.054265        -5933.55845
     11       2.00000        -218.054265        -5933.55845
     12       2.00000        -218.054265        -5933.55845
     13       2.00000        -195.440705        -5318.21217
     14       2.00000        -195.440705        -5318.21217
     15       2.00000        -195.440705        -5318.21217
     16       2.00000        -195.440705        -5318.21217
     17       2.00000        -195.440703        -5318.21213
     18       2.00000        -195.440703        -5318.21213
     19       2.00000        -195.440703        -5318.21213
     20       2.00000        -195.440703        -5318.21212
     21       2.00000        -195.440703        -5318.21210
     22       2.00000        -195.440703        -5318.21210
     23       2.00000        -195.440703        -5318.21210
     24       2.00000        -195.440703        -5318.21210
     25       2.00000         -91.035153        -2477.19255
     26       2.00000         -91.035153        -2477.19254
     27       2.00000         -91.035153        -2477.19254
     28       2.00000         -91.035153        -2477.19254
     29       2.00000         -88.549681        -2409.55942
     30       2.00000         -88.549681        -2409.55942
     31       2.00000         -88.549681        -2409.55941
     32       2.00000         -88.549681        -2409.55941
     33       2.00000         -88.548528        -2409.52805
     34       2.00000         -88.548528        -2409.52805
     35       2.00000         -88.548528        -2409.52805
     36       2.00000         -88.548528        -2409.52804
     37       2.00000         -88.548528        -2409.52803
     38       2.00000         -88.548528        -2409.52803
     39       2.00000         -88.548528        -2409.52803
     40       2.00000         -88.548528        -2409.52803
     41       2.00000         -81.175702        -2208.90323
     42       2.00000         -81.175702        -2208.90323
     43       2.00000         -81.175702        -2208.90323
     44       2.00000         -81.175702        -2208.90323
     45       2.00000         -81.175696        -2208.90306
     46       2.00000         -81.175695        -2208.90306
     47       2.00000         -81.175695        -2208.90306
     48       2.00000         -81.175695        -2208.90306
     49       2.00000         -81.175690        -2208.90292
     50       2.00000         -81.175690        -2208.90292
     51       2.00000         -81.175690        -2208.90292
     52       2.00000         -81.175690        -2208.90292
     53       2.00000         -45.729510        -1244.36328
     54       2.00000         -45.729510        -1244.36328
     55       2.00000         -45.729510        -1244.36327
     56       2.00000         -45.729510        -1244.36327
     57       2.00000         -38.549635        -1048.98893
     58       2.00000         -38.549635        -1048.98893
     59       2.00000         -38.549634        -1048.98893
     60       2.00000         -38.549634        -1048.98892
     61       2.00000         -38.549633        -1048.98889
     62       2.00000         -38.549633        -1048.98889
     63       2.00000         -38.549633        -1048.98888
     64       2.00000         -38.549633        -1048.98888
     65       2.00000         -38.549630        -1048.98881
     66       2.00000         -38.549630        -1048.98881
     67       2.00000         -38.549630        -1048.98881
     68       2.00000         -38.549630        -1048.98881
     69       2.00000         -28.140309         -765.73675
     70       2.00000         -28.140308         -765.73675
     71       2.00000         -28.140308         -765.73675
     72       2.00000         -28.140308         -765.73675
     73       2.00000         -28.140307         -765.73670
     74       2.00000         -28.140307         -765.73670
     75       2.00000         -28.140307         -765.73670
     76       2.00000         -28.140307         -765.73670
     77       2.00000         -28.140306         -765.73669
     78       2.00000         -28.140306         -765.73669
     79       2.00000         -28.140306         -765.73669
     80       2.00000         -28.140306         -765.73669
     81       2.00000         -28.140305         -765.73665
     82       2.00000         -28.140305         -765.73665
     83       2.00000         -28.140305         -765.73665
     84       2.00000         -28.140305         -765.73665
     85       2.00000         -28.140304         -765.73663
     86       2.00000         -28.140304         -765.73663
     87       2.00000         -28.140304         -765.73663
     88       2.00000         -28.140304         -765.73663
     89       2.00000         -14.874772         -404.76314
     90       2.00000         -14.874772         -404.76313
     91       2.00000         -14.874772         -404.76313
     92       2.00000         -14.874771         -404.76312
     93       2.00000         -11.678420         -317.78598
     94       2.00000         -11.678420         -317.78598
     95       2.00000         -11.678420         -317.78597
     96       2.00000         -11.678420         -317.78597
     97       2.00000         -11.678325         -317.78339
     98       2.00000         -11.678325         -317.78339
     99       2.00000         -11.678325         -317.78338
    100       2.00000         -11.678325         -317.78338
    101       2.00000         -11.678283         -317.78226
    102       2.00000         -11.678283         -317.78226
    103       2.00000         -11.678283         -317.78226
    104       2.00000         -11.678283         -317.78225
    105       2.00000          -8.951662         -243.58710
    106       2.00000          -8.951661         -243.58710
    107       2.00000          -8.951661         -243.58710
    108       2.00000          -8.951661         -243.58709
    109       2.00000          -7.809578         -212.50943
    110       2.00000          -7.809578         -212.50943
    111       2.00000          -7.809576         -212.50939
    112       2.00000          -7.809576         -212.50938
    113       2.00000          -7.808330         -212.47547
    114       2.00000          -7.808330         -212.47547
    115       2.00000          -7.808330         -212.47547
    116       2.00000          -7.808329         -212.47545
    117       2.00000          -7.808328         -212.47541
    118       2.00000          -7.808328         -212.47541
    119       2.00000          -7.808327         -212.47540
    120       2.00000          -7.808327         -212.47540
    121       2.00000          -6.642092         -180.74051
    122       2.00000          -6.642092         -180.74051
    123       2.00000          -6.642091         -180.74051
    124       2.00000          -6.642091         -180.74050
    125       2.00000          -6.642061         -180.73968
    126       2.00000          -6.642061         -180.73967
    127       2.00000          -6.642061         -180.73967
    128       2.00000          -6.642061         -180.73967
    129       2.00000          -6.642059         -180.73961
    130       2.00000          -6.642059         -180.73961
    131       2.00000          -6.642059         -180.73961
    132       2.00000          -6.642059         -180.73961
    133       2.00000          -6.434914         -175.10292
    134       2.00000          -6.434914         -175.10292
    135       2.00000          -6.434914         -175.10292
    136       2.00000          -6.434914         -175.10292
    137       2.00000          -6.434909         -175.10279
    138       2.00000          -6.434909         -175.10278
    139       2.00000          -6.434909         -175.10278
    140       2.00000          -6.434909         -175.10278
    141       2.00000          -6.434875         -175.10185
    142       2.00000          -6.434875         -175.10185
    143       2.00000          -6.434875         -175.10185
    144       2.00000          -6.434875         -175.10185
    145       2.00000          -6.434810         -175.10010
    146       2.00000          -6.434810         -175.10010
    147       2.00000          -6.434810         -175.10010
    148       2.00000          -6.434810         -175.10010
    149       2.00000          -6.434788         -175.09949
    150       2.00000          -6.434788         -175.09949
    151       2.00000          -6.434788         -175.09949
    152       2.00000          -6.434788         -175.09949
    153       2.00000          -5.790257         -157.56090
    154       2.00000          -5.790256         -157.56089
    155       2.00000          -5.790256         -157.56089
    156       2.00000          -5.790256         -157.56088
    157       2.00000          -5.788943         -157.52515
    158       2.00000          -5.788943         -157.52515
    159       2.00000          -5.788943         -157.52514
    160       2.00000          -5.788943         -157.52514
    161       2.00000          -5.788943         -157.52514
    162       2.00000          -5.788942         -157.52514
    163       2.00000          -5.788942         -157.52514
    164       2.00000          -5.788942         -157.52514
    165       2.00000          -5.788383         -157.50991
    166       2.00000          -5.788383         -157.50990
    167       2.00000          -5.788382         -157.50990
    168       2.00000          -5.788382         -157.50990
    169       2.00000          -5.787991         -157.49924
    170       2.00000          -5.787990         -157.49923
    171       2.00000          -5.787990         -157.49923
    172       2.00000          -5.787990         -157.49923
    173       2.00000          -5.786991         -157.47204
    174       2.00000          -5.786991         -157.47204
    175       2.00000          -5.786991         -157.47203
    176       2.00000          -5.786991         -157.47203
    177       2.00000          -5.786991         -157.47203
    178       2.00000          -5.786991         -157.47203
    179       2.00000          -5.786990         -157.47202
    180       2.00000          -5.786990         -157.47202
    181       2.00000          -5.786982         -157.47180
    182       2.00000          -5.786982         -157.47180
    183       2.00000          -5.786982         -157.47179
    184       2.00000          -5.786982         -157.47179
    185       2.00000          -5.786982         -157.47179
    186       2.00000          -5.786982         -157.47178
    187       2.00000          -5.786981         -157.47178
    188       2.00000          -5.786981         -157.47178
    189       2.00000          -3.294510          -89.64817
    190       2.00000          -3.294510          -89.64817
    191       2.00000          -3.294510          -89.64817
    192       2.00000          -3.294510          -89.64817
    193       2.00000          -3.294508          -89.64811
    194       2.00000          -3.294507          -89.64811
    195       2.00000          -3.294507          -89.64811
    196       2.00000          -3.294507          -89.64811
    197       2.00000          -3.294487          -89.64755
    198       2.00000          -3.294487          -89.64755
    199       2.00000          -3.294487          -89.64755
    200       2.00000          -3.294487          -89.64755
    201       2.00000          -3.294460          -89.64682
    202       2.00000          -3.294460          -89.64682
    203       2.00000          -3.294460          -89.64682
    204       2.00000          -3.294460          -89.64682
    205       2.00000          -3.294459          -89.64679
    206       2.00000          -3.294459          -89.64679
    207       2.00000          -3.294459          -89.64679
    208       2.00000          -3.294459          -89.64679
    209       2.00000          -2.029236          -55.21832
    210       2.00000          -2.029223          -55.21798
    211       2.00000          -2.029212          -55.21767
    212       2.00000          -2.029200          -55.21734
    213       2.00000          -1.247694          -33.95148
    214       2.00000          -1.247671          -33.95085
    215       2.00000          -1.247187          -33.93770
    216       2.00000          -1.247067          -33.93442
    217       2.00000          -1.231713          -33.51662
    218       2.00000          -1.231398          -33.50804
    219       2.00000          -1.231117          -33.50040
    220       2.00000          -1.230936          -33.49546
    221       2.00000          -1.230375          -33.48022
    222       2.00000          -1.230123          -33.47334
    223       2.00000          -1.230051          -33.47138
    224       2.00000          -1.229583          -33.45865
    225       2.00000          -1.229253          -33.44968
    226       2.00000          -1.229229          -33.44902
    227       2.00000          -1.229147          -33.44679
    228       2.00000          -1.228979          -33.44221
    229       2.00000          -0.769169          -20.93015
    230       2.00000          -0.760993          -20.70768
    231       2.00000          -0.750155          -20.41276
    232       2.00000          -0.747240          -20.33342
    233       2.00000          -0.745713          -20.29189
    234       2.00000          -0.742694          -20.20972
    235       2.00000          -0.736037          -20.02859
    236       2.00000          -0.732307          -19.92709
    237       2.00000          -0.727288          -19.79052
    238       2.00000          -0.726984          -19.78224
    239       2.00000          -0.723676          -19.69224
    240       2.00000          -0.720550          -19.60717
    241       2.00000          -0.708655          -19.28348
    242       2.00000          -0.706136          -19.21493
    243       2.00000          -0.705387          -19.19456
    244       2.00000          -0.703919          -19.15462
    245       2.00000          -0.700368          -19.05799
    246       2.00000          -0.699660          -19.03872
    247       2.00000          -0.698424          -19.00509
    248       2.00000          -0.695246          -18.91862
    249       2.00000          -0.692198          -18.83566
    250       2.00000          -0.681093          -18.53347
    251       2.00000          -0.678937          -18.47482
    252       2.00000          -0.676720          -18.41448
    253       2.00000          -0.468397          -12.74574
    254       2.00000          -0.452841          -12.32243
    255       2.00000          -0.443177          -12.05947
    256       2.00000          -0.438671          -11.93685
    257       2.00000          -0.424362          -11.54747
    258       2.00000          -0.424288          -11.54547
    259       2.00000          -0.422278          -11.49076
    260       2.00000          -0.413618          -11.25512
    261       2.00000          -0.412954          -11.23706
    262       2.00000          -0.411536          -11.19847
    263       2.00000          -0.404302          -11.00162
    264       2.00000          -0.397208          -10.80857
    265       2.00000          -0.397138          -10.80667
    266       2.00000          -0.395904          -10.77310
    267       2.00000          -0.393670          -10.71230
    268       2.00000          -0.385962          -10.50255
    269       2.00000          -0.385667          -10.49452
    270       2.00000          -0.380531          -10.35477
    271       2.00000          -0.377278          -10.26625
    272       2.00000          -0.373727          -10.16963
    273       2.00000          -0.372263          -10.12980
    274       2.00000          -0.369048          -10.04230
    275       2.00000          -0.355911           -9.68484
    276       2.00000          -0.354938           -9.65836
    277       2.00000          -0.344781           -9.38198
    278       2.00000          -0.342527           -9.32063
    279       2.00000          -0.342490           -9.31962
    280       2.00000          -0.327760           -8.91880
    281       2.00000          -0.325889           -8.86789
    282       2.00000          -0.325228           -8.84990
    283       2.00000          -0.323566           -8.80467
    284       2.00000          -0.321461           -8.74739
    285       2.00000          -0.317764           -8.64679
    286       2.00000          -0.314072           -8.54635
    287       2.00000          -0.313526           -8.53148
    288       2.00000          -0.312749           -8.51032
    289       0.00000          -0.243442           -6.62441
    290       0.00000          -0.242413           -6.59639
    291       0.00000          -0.236900           -6.44637
    292       0.00000          -0.228843           -6.22712
    293       0.00000          -0.188933           -5.14112
    294       0.00000          -0.183232           -4.98599
    295       0.00000          -0.170408           -4.63703
    296       0.00000          -0.168378           -4.58180
    297       0.00000          -0.166851           -4.54024
    298       0.00000          -0.165084           -4.49216
    299       0.00000          -0.153372           -4.17346
    300       0.00000          -0.143637           -3.90857
    301       0.00000          -0.142272           -3.87141
    302       0.00000          -0.136705           -3.71994
    303       0.00000          -0.132431           -3.60363
    304       0.00000          -0.128472           -3.49590
    305       0.00000          -0.126054           -3.43011
    306       0.00000          -0.125053           -3.40286
    307       0.00000          -0.120866           -3.28894
    308       0.00000          -0.119497           -3.25169
    309       0.00000          -0.117733           -3.20367
    310       0.00000          -0.116791           -3.17805
    311       0.00000          -0.111885           -3.04455
    312       0.00000          -0.109379           -2.97634
    313       0.00000          -0.109088           -2.96844
    314       0.00000          -0.093643           -2.54816
    315       0.00000          -0.081747           -2.22444
    316       0.00000          -0.080682           -2.19546
    317       0.00000          -0.074359           -2.02340
    318       0.00000          -0.073175           -1.99119
    319       0.00000          -0.069196           -1.88292
    320       0.00000          -0.066074           -1.79795
    321       0.00000          -0.064035           -1.74248
    322       0.00000          -0.061020           -1.66044
    323       0.00000          -0.059382           -1.61586
    324       0.00000          -0.051920           -1.41281
    325       0.00000          -0.048184           -1.31116
    326       0.00000          -0.042653           -1.16065
    327       0.00000          -0.037751           -1.02725
    328       0.00000          -0.037262           -1.01395
    329       0.00000          -0.033356           -0.90767
    330       0.00000          -0.030476           -0.82929
    331       0.00000          -0.017860           -0.48601
    332       0.00000          -0.009574           -0.26052
    333       0.00000          -0.003371           -0.09172
    334       0.00000           0.000184            0.00499
    335       0.00000           0.000739            0.02012
    336       0.00000           0.003081            0.08385
    337       0.00000           0.004966            0.13512
    338       0.00000           0.018173            0.49451
    339       0.00000           0.018627            0.50687
    340       0.00000           0.020443            0.55627
    341       0.00000           0.023467            0.63856
    342       0.00000           0.025419            0.69168
    343       0.00000           0.030492            0.82974
    344       0.00000           0.033607            0.91450
    345       0.00000           0.033769            0.91891
    346       0.00000           0.037001            1.00686
    347       0.00000           0.038881            1.05800
    348       0.00000           0.040225            1.09459
    349       0.00000           0.041151            1.11977
    350       0.00000           0.047356            1.28862
    351       0.00000           0.047642            1.29641
    352       0.00000           0.048193            1.31141
    353       0.00000           0.049395            1.34410
    354       0.00000           0.050834            1.38327
    355       0.00000           0.051861            1.41120
    356       0.00000           0.056609            1.54040
    357       0.00000           0.059071            1.60741
    358       0.00000           0.059199            1.61088
    359       0.00000           0.060147            1.63667
    360       0.00000           0.060168            1.63725
    361       0.00000           0.061300            1.66805
    362       0.00000           0.064328            1.75044
    363       0.00000           0.064713            1.76092
    364       0.00000           0.064761            1.76223
    365       0.00000           0.065482            1.78185
    366       0.00000           0.067096            1.82576
    367       0.00000           0.068203            1.85589
    368       0.00000           0.068870            1.87405

  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -8.51032260 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.62440502 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      1.88591759 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32165.01518062 Ha     -875254.59552821 eV
  | XC energy correction          :       -1534.59698366 Ha      -41758.50857495 eV
  | XC potential correction       :        2014.47271680 Ha       54816.59166151 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           0.38463026 Ha          10.46632191 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.28172979 Ha    -1425530.46605911 eV
  | Total energy, T -> 0          :      -52387.28172979 Ha    -1425530.46605911 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.28172979 Ha    -1425530.46605911 eV

  Derived energy quantities:
  | Kinetic energy                :       54708.92912862 Ha     1488705.70610213 eV
  | Electrostatic energy          :     -105561.61387475 Ha    -2872477.66358629 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00023158 Ha          -0.00630163 eV
  | Sum of eigenvalues per atom                           :      -43762.72977641 eV
  | Total energy (T->0) per atom                          :      -71276.52330296 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.52330296 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      472.988 s, elapsed      602.814 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.596163E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.3786E+00
  | Change of unmixed KS density  :  0.5913E+03
  | Change of sum of eigenvalues  : -0.9999E+01 eV
  | Change of total energy        :  0.6564E+00 eV


------------------------------------------------------------
  End self-consistency iteration #     1       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.588 s           1.589 s
  | Charge density update                       :        0.513 s           0.513 s
  | Density mixing & preconditioning            :        0.044 s           0.044 s
  | Hartree multipole update                    :        0.010 s           0.010 s
  | Hartree multipole summation                 :        0.081 s           0.081 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.619 s           0.619 s
  | Total energy evaluation                     :        0.008 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.797 MB (on task    3)
  |   Maximum:       72.190 MB (on task    8)
  |   Average:       70.204 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    2

  Date     :  20220720, Time     :  184341.556
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9750228185
  | Charge integration error                      :      -0.0249771815
  | Normalization factor for density and gradient :       1.0000433650

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.154474E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.611361E-06
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.142175E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      122.488 s, elapsed      142.809 s
  | RMS charge density error from multipole expansion :   0.735931E-02
  | Average real-space part of the electrostatic potential :      0.21789383 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.441 s, elapsed      349.500 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.274 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.14839422 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.97254393 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -7.11152043 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.86102350 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Checking to see if s.c.f. parameters should be adjusted.
  The system likely has a gap. Increased the default Pulay mixing parameter (charge_mix_param). Value:   0.200000 .
  Kept the default occupation width. Value:   0.010000 eV.

  Total energy components:
  | Sum of eigenvalues            :      -32168.85950961 Ha     -875359.20504259 eV
  | XC energy correction          :       -1534.87334457 Ha      -41766.02873796 eV
  | XC potential correction       :        2014.82379463 Ha       54826.14497551 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           4.27127756 Ha         116.22737596 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16469456 Ha    -1425527.28136844 eV
  | Total energy, T -> 0          :      -52387.16469456 Ha    -1425527.28136844 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16469456 Ha    -1425527.28136844 eV

  Derived energy quantities:
  | Kinetic energy                :       54710.72963513 Ha     1488754.70037714 eV
  | Electrostatic energy          :     -105563.02098512 Ha    -2872515.95300763 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00292153 Ha          -0.07949890 eV
  | Sum of eigenvalues per atom                           :      -43767.96025213 eV
  | Total energy (T->0) per atom                          :      -71276.36406842 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36406842 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.193 s, elapsed      604.420 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.3493E+00
  | Change of unmixed KS density  :  0.1948E-01
  | Change of sum of eigenvalues  : -0.1046E+03 eV
  | Change of total energy        :  0.3185E+01 eV


------------------------------------------------------------
  End self-consistency iteration #     2       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.652 s           1.600 s
  | Charge density update                       :        0.513 s           0.512 s
  | Density mixing & preconditioning            :        0.118 s           0.065 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.076 s           0.076 s
  | Integration                                 :        0.312 s           0.312 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.007 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.798 MB (on task    3)
  |   Maximum:       72.191 MB (on task    8)
  |   Average:       70.205 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    3

  Date     :  20220720, Time     :  184343.210
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9993287340
  | Charge integration error                      :      -0.0006712660
  | Normalization factor for density and gradient :       1.0000011654

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.304028E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.768334E-06
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.323214E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      122.180 s, elapsed      142.530 s
  | RMS charge density error from multipole expansion :   0.760902E-02
  | Average real-space part of the electrostatic potential :      0.20630495 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.594 s, elapsed      350.140 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.080 s
  Finished solving standard eigenproblem
  | Time :     0.277 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.88530077 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -8.06451736 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.84842731 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      1.21609005 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32166.94412481 Ha     -875307.08477019 eV
  | XC energy correction          :       -1534.82568830 Ha      -41764.73194482 eV
  | XC potential correction       :        2014.76222660 Ha       54824.46962409 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           2.36090755 Ha          64.24356302 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.17359153 Ha    -1425527.52346726 eV
  | Total energy, T -> 0          :      -52387.17359153 Ha    -1425527.52346726 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.17359153 Ha    -1425527.52346726 eV

  Derived energy quantities:
  | Kinetic energy                :       54709.69264619 Ha     1488726.48247238 eV
  | Electrostatic energy          :     -105562.04054942 Ha    -2872489.27399482 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00389300 Ha          -0.10593394 eV
  | Sum of eigenvalues per atom                           :      -43765.35423851 eV
  | Total energy (T->0) per atom                          :      -71276.37617336 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.37617336 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.055 s, elapsed      601.758 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1271E+00
  | Change of unmixed KS density  :  0.2237E+00
  | Change of sum of eigenvalues  :  0.5212E+02 eV
  | Change of total energy        : -0.2421E+00 eV


------------------------------------------------------------
  End self-consistency iteration #     3       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.665 s           1.614 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.133 s           0.082 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.076 s           0.076 s
  | Integration                                 :        0.312 s           0.312 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.799 MB (on task    3)
  |   Maximum:       72.191 MB (on task    8)
  |   Average:       70.206 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    4

  Date     :  20220720, Time     :  184344.888
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9793387560
  | Charge integration error                      :      -0.0206612440
  | Normalization factor for density and gradient :       1.0000358715

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.147094E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.140295E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.147980E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.050 s, elapsed      145.123 s
  | RMS charge density error from multipole expansion :   0.125049E-01
  | Average real-space part of the electrostatic potential :      0.30639068 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.455 s, elapsed      348.089 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.275 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.74292403 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.91627671 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.70605060 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      1.21022611 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32166.17293164 Ha     -875286.09953648 eV
  | XC energy correction          :       -1534.90473887 Ha      -41766.88302017 eV
  | XC potential correction       :        2014.85772091 Ha       54827.06815657 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           1.57213558 Ha          42.77998568 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.17472658 Ha    -1425527.55435375 eV
  | Total energy, T -> 0          :      -52387.17472658 Ha    -1425527.55435375 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.17472658 Ha    -1425527.55435375 eV

  Derived energy quantities:
  | Kinetic energy                :       54708.38254433 Ha     1488690.83278682 eV
  | Electrostatic energy          :     -105560.65253205 Ha    -2872451.50412040 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00745427 Ha          -0.20284101 eV
  | Sum of eigenvalues per atom                           :      -43764.30497682 eV
  | Total energy (T->0) per atom                          :      -71276.37771769 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.37771769 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.049 s, elapsed      598.743 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1281E+00
  | Change of unmixed KS density  :  0.7981E-01
  | Change of sum of eigenvalues  :  0.2099E+02 eV
  | Change of total energy        : -0.3089E-01 eV


------------------------------------------------------------
  End self-consistency iteration #     4       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.713 s           1.651 s
  | Charge density update                       :        0.511 s           0.510 s
  | Density mixing & preconditioning            :        0.144 s           0.083 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.077 s           0.077 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.651 s           0.651 s
  | Total energy evaluation                     :        0.007 s           0.008 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.799 MB (on task    3)
  |   Maximum:       72.192 MB (on task    8)
  |   Average:       70.206 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    5

  Date     :  20220720, Time     :  184346.598
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9851824243
  | Charge integration error                      :      -0.0148175757
  | Normalization factor for density and gradient :       1.0000257256

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.110444E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.147128E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.110936E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.062 s, elapsed      145.617 s
  | RMS charge density error from multipole expansion :   0.139234E-01
  | Average real-space part of the electrostatic potential :      0.32528292 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.413 s, elapsed      349.808 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.92998754 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89386067 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.89311431 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      1.00074637 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32168.23023880 Ha     -875342.08171248 eV
  | XC energy correction          :       -1534.86597315 Ha      -41765.82815133 eV
  | XC potential correction       :        2014.80362954 Ha       54825.59625546 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           3.65516577 Ha          99.46212112 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16432920 Ha    -1425527.27142659 eV
  | Total energy, T -> 0          :      -52387.16432920 Ha    -1425527.27142659 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16432920 Ha    -1425527.27142659 eV

  Derived energy quantities:
  | Kinetic energy                :       54706.86273057 Ha     1488649.47655025 eV
  | Electrostatic energy          :     -105559.16108662 Ha    -2872410.91982550 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00789431 Ha          -0.21481500 eV
  | Sum of eigenvalues per atom                           :      -43767.10408562 eV
  | Total energy (T->0) per atom                          :      -71276.36357133 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36357133 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.118 s, elapsed      602.392 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.9113E-01
  | Change of unmixed KS density  :  0.1922E-01
  | Change of sum of eigenvalues  : -0.5598E+02 eV
  | Change of total energy        :  0.2829E+00 eV


------------------------------------------------------------
  End self-consistency iteration #     5       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.677 s           1.621 s
  | Charge density update                       :        0.512 s           0.512 s
  | Density mixing & preconditioning            :        0.140 s           0.084 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.077 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.618 s           0.618 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.799 MB (on task    3)
  |   Maximum:       72.192 MB (on task    8)
  |   Average:       70.206 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    6

  Date     :  20220720, Time     :  184348.278
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9990806982
  | Charge integration error                      :      -0.0009193018
  | Normalization factor for density and gradient :       1.0000015960

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.766957E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.145811E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.757610E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.043 s, elapsed      145.188 s
  | RMS charge density error from multipole expansion :   0.140440E-01
  | Average real-space part of the electrostatic potential :      0.31968955 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.508 s, elapsed      349.555 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.082 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.96988594 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.90045583 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.93301236 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.96744347 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32169.31421012 Ha     -875371.57807275 eV
  | XC energy correction          :       -1534.81978767 Ha      -41764.57138044 eV
  | XC potential correction       :        2014.74237493 Ha       54823.92943268 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           4.75493535 Ha         129.38837417 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16360006 Ha    -1425527.25158570 eV
  | Total energy, T -> 0          :      -52387.16360006 Ha    -1425527.25158570 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16360006 Ha    -1425527.25158570 eV

  Derived energy quantities:
  | Kinetic energy                :       54705.29150982 Ha     1488606.72145822 eV
  | Electrostatic energy          :     -105557.63532221 Ha    -2872369.40166349 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00793982 Ha          -0.21605349 eV
  | Sum of eigenvalues per atom                           :      -43768.57890364 eV
  | Total energy (T->0) per atom                          :      -71276.36257929 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36257929 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.108 s, elapsed      602.423 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.3114E-01
  | Change of unmixed KS density  :  0.4400E-01
  | Change of sum of eigenvalues  : -0.2950E+02 eV
  | Change of total energy        :  0.1984E-01 eV


------------------------------------------------------------
  End self-consistency iteration #     6       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.669 s           1.613 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.131 s           0.075 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.619 s           0.619 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.799 MB (on task    3)
  |   Maximum:       72.192 MB (on task    8)
  |   Average:       70.206 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    7

  Date     :  20220720, Time     :  184349.950
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0006605451
  | Charge integration error                      :       0.0006605451
  | Normalization factor for density and gradient :       0.9999988532

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.929795E-14
  | Sum of charges compensated after spline to logarithmic grids =   0.143878E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.688737E-14
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.425 s, elapsed      160.058 s
  | RMS charge density error from multipole expansion :   0.141113E-01
  | Average real-space part of the electrostatic potential :      0.32027461 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.439 s, elapsed      348.545 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.084 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.99944049 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89075842 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.96256696 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.92819146 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32169.78772622 Ha     -875384.46310154 eV
  | XC energy correction          :       -1534.81220258 Ha      -41764.36497968 eV
  | XC potential correction       :        2014.73197731 Ha       54823.64649909 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.23157044 Ha         142.35827483 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16329361 Ha    -1425527.24324666 eV
  | Total energy, T -> 0          :      -52387.16329361 Ha    -1425527.24324666 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16329361 Ha    -1425527.24324666 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.86984377 Ha     1488595.24734136 eV
  | Electrostatic energy          :     -105557.22093480 Ha    -2872358.12560834 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00795089 Ha          -0.21635476 eV
  | Sum of eigenvalues per atom                           :      -43769.22315508 eV
  | Total energy (T->0) per atom                          :      -71276.36216233 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36216233 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.072 s, elapsed      601.359 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.600711E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1763E-01
  | Change of unmixed KS density  :  0.8090E-02
  | Change of sum of eigenvalues  : -0.1289E+02 eV
  | Change of total energy        :  0.8339E-02 eV


------------------------------------------------------------
  End self-consistency iteration #     7       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.673 s           1.616 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.130 s           0.073 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.085 s           0.085 s
  | Integration                                 :        0.309 s           0.309 s
  | Solution of K.-S. eqns.                     :        0.617 s           0.617 s
  | Total energy evaluation                     :        0.007 s           0.008 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.192 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    8

  Date     :  20220720, Time     :  184351.652
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0023894704
  | Charge integration error                      :       0.0023894704
  | Normalization factor for density and gradient :       0.9999958516

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.101097E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.142571E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.100506E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.199 s, elapsed      145.197 s
  | RMS charge density error from multipole expansion :   0.139893E-01
  | Average real-space part of the electrostatic potential :      0.31680574 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.477 s, elapsed      349.318 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.079 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.99020972 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89505751 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.95333651 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.94172100 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32169.78124682 Ha     -875384.28678819 eV
  | XC energy correction          :       -1534.80785858 Ha      -41764.24677338 eV
  | XC potential correction       :        2014.72639872 Ha       54823.49469795 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.22625575 Ha         142.21365458 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16336350 Ha    -1425527.24514840 eV
  | Total energy, T -> 0          :      -52387.16336350 Ha    -1425527.24514840 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16336350 Ha    -1425527.24514840 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.76970059 Ha     1488592.52230658 eV
  | Electrostatic energy          :     -105557.12520550 Ha    -2872355.52068160 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00794671 Ha          -0.21624093 eV
  | Sum of eigenvalues per atom                           :      -43769.21433941 eV
  | Total energy (T->0) per atom                          :      -71276.36225742 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36225742 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.022 s, elapsed      599.550 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.600711E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.5514E-02
  | Change of unmixed KS density  :  0.8823E-02
  | Change of sum of eigenvalues  :  0.1763E+00 eV
  | Change of total energy        : -0.1902E-02 eV


------------------------------------------------------------
  End self-consistency iteration #     8       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.690 s           1.608 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.156 s           0.073 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.077 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.617 s           0.617 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #    9

  Date     :  20220720, Time     :  184353.318
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0010649087
  | Charge integration error                      :       0.0010649087
  | Normalization factor for density and gradient :       0.9999981512

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.780240E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.143373E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.779748E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.381 s, elapsed      145.732 s
  | RMS charge density error from multipole expansion :   0.139880E-01
  | Average real-space part of the electrostatic potential :      0.31603941 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.480 s, elapsed      349.968 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -6.99627630 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89488838 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.95940309 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.93548529 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32169.81858983 Ha     -875385.30294317 eV
  | XC energy correction          :       -1534.80846167 Ha      -41764.26318447 eV
  | XC potential correction       :        2014.72709262 Ha       54823.51357985 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.26354628 Ha         143.22838155 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16332517 Ha    -1425527.24410560 eV
  | Total energy, T -> 0          :      -52387.16332517 Ha    -1425527.24410560 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16332517 Ha    -1425527.24410560 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.83197922 Ha     1488594.21699439 eV
  | Electrostatic energy          :     -105557.18684272 Ha    -2872357.19791553 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00796854 Ha          -0.21683492 eV
  | Sum of eigenvalues per atom                           :      -43769.26514716 eV
  | Total energy (T->0) per atom                          :      -71276.36220528 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36220528 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      473.006 s, elapsed      600.566 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.8679E-02
  | Change of unmixed KS density  :  0.3128E-02
  | Change of sum of eigenvalues  : -0.1016E+01 eV
  | Change of total energy        :  0.1043E-02 eV


------------------------------------------------------------
  End self-consistency iteration #     9       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.654 s           1.599 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.118 s           0.062 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.618 s           0.618 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   10

  Date     :  20220720, Time     :  184354.969
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000552705
  | Charge integration error                      :       0.0000552705
  | Normalization factor for density and gradient :       0.9999999040

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.383725E-14
  | Sum of charges compensated after spline to logarithmic grids =   0.143450E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.319771E-14
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.390 s, elapsed      145.444 s
  | RMS charge density error from multipole expansion :   0.140183E-01
  | Average real-space part of the electrostatic potential :      0.31624052 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.420 s, elapsed      347.738 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.00312911 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89352651 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.96625546 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.92727105 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32169.86717397 Ha     -875386.62498472 eV
  | XC energy correction          :       -1534.80926870 Ha      -41764.28514479 eV
  | XC potential correction       :        2014.72804301 Ha       54823.53944136 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.31201642 Ha         144.54732128 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16329580 Ha    -1425527.24330624 eV
  | Total energy, T -> 0          :      -52387.16329580 Ha    -1425527.24330624 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16329580 Ha    -1425527.24330624 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.87776353 Ha     1488595.46284889 eV
  | Electrostatic energy          :     -105557.23179063 Ha    -2872358.42101033 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00798555 Ha          -0.21729791 eV
  | Sum of eigenvalues per atom                           :      -43769.33124924 eV
  | Total energy (T->0) per atom                          :      -71276.36216531 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36216531 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      472.903 s, elapsed      597.255 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.6803E-02
  | Change of unmixed KS density  :  0.1453E-02
  | Change of sum of eigenvalues  : -0.1322E+01 eV
  | Change of total energy        :  0.7994E-03 eV


------------------------------------------------------------
  End self-consistency iteration #    10       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.646 s           1.596 s
  | Charge density update                       :        0.509 s           0.509 s
  | Density mixing & preconditioning            :        0.117 s           0.068 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.309 s           0.309 s
  | Solution of K.-S. eqns.                     :        0.614 s           0.614 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   11

  Date     :  20220720, Time     :  184356.620
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0007177426
  | Charge integration error                      :       0.0007177426
  | Normalization factor for density and gradient :       0.9999987539

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.177596E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.142706E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.136271E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.396 s, elapsed      145.367 s
  | RMS charge density error from multipole expansion :   0.140389E-01
  | Average real-space part of the electrostatic potential :      0.31538882 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.582 s, elapsed      348.753 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.082 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.026 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01116754 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89331432 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97429370 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91902061 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32169.93287756 Ha     -875388.41287056 eV
  | XC energy correction          :       -1534.80943003 Ha      -41764.28953464 eV
  | XC potential correction       :        2014.72811296 Ha       54823.54134481 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.37784278 Ha         146.33854774 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16326441 Ha    -1425527.24245202 eV
  | Total energy, T -> 0          :      -52387.16326441 Ha    -1425527.24245202 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16326441 Ha    -1425527.24245202 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.95646029 Ha     1488597.60429666 eV
  | Electrostatic energy          :     -105557.31029467 Ha    -2872360.55721404 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00801904 Ha          -0.21820931 eV
  | Sum of eigenvalues per atom                           :      -43769.42064353 eV
  | Total energy (T->0) per atom                          :      -71276.36212260 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36212260 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      473.154 s, elapsed      598.716 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.6707E-02
  | Change of unmixed KS density  :  0.5781E-02
  | Change of sum of eigenvalues  : -0.1788E+01 eV
  | Change of total energy        :  0.8542E-03 eV


------------------------------------------------------------
  End self-consistency iteration #    11       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.656 s           1.603 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.119 s           0.066 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.311 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.619 s           0.620 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   12

  Date     :  20220720, Time     :  184358.280
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0001314871
  | Charge integration error                      :       0.0001314871
  | Normalization factor for density and gradient :       0.9999997717

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.681849E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.142107E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.667091E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.368 s, elapsed      145.624 s
  | RMS charge density error from multipole expansion :   0.140553E-01
  | Average real-space part of the electrostatic potential :      0.31508563 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.531 s, elapsed      348.533 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01654421 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89306800 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97967062 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91339738 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00225916 Ha     -875390.30083995 eV
  | XC energy correction          :       -1534.80802577 Ha      -41764.25132282 eV
  | XC potential correction       :        2014.72619149 Ha       54823.48905899 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.44774708 Ha         148.24074051 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325892 Ha    -1425527.24230263 eV
  | Total energy, T -> 0          :      -52387.16325892 Ha    -1425527.24230263 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325892 Ha    -1425527.24230263 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.93041363 Ha     1488596.89553108 eV
  | Electrostatic energy          :     -105557.28564678 Ha    -2872359.88651090 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802912 Ha          -0.21848347 eV
  | Sum of eigenvalues per atom                           :      -43769.51504200 eV
  | Total energy (T->0) per atom                          :      -71276.36211513 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211513 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.011 s, elapsed      600.031 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1744E-02
  | Change of unmixed KS density  :  0.5399E-02
  | Change of sum of eigenvalues  : -0.1888E+01 eV
  | Change of total energy        :  0.1494E-03 eV


------------------------------------------------------------
  End self-consistency iteration #    12       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.651 s           1.597 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.118 s           0.063 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   13

  Date     :  20220720, Time     :  184359.934
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999797277
  | Charge integration error                      :      -0.0000202723
  | Normalization factor for density and gradient :       1.0000000352

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.515077E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141872E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.529343E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.649 s, elapsed      151.112 s
  | RMS charge density error from multipole expansion :   0.140553E-01
  | Average real-space part of the electrostatic potential :      0.31509418 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.453 s, elapsed      349.095 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.079 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01641925 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89307613 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954584 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91353029 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00231539 Ha     -875390.30236984 eV
  | XC energy correction          :       -1534.80800252 Ha      -41764.25069016 eV
  | XC potential correction       :        2014.72616574 Ha       54823.48835817 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.44780585 Ha         148.24233959 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325888 Ha    -1425527.24230162 eV
  | Total energy, T -> 0          :      -52387.16325888 Ha    -1425527.24230162 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325888 Ha    -1425527.24230162 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.93120860 Ha     1488596.91716328 eV
  | Electrostatic energy          :     -105557.28646496 Ha    -2872359.90877473 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802751 Ha          -0.21843971 eV
  | Sum of eigenvalues per atom                           :      -43769.51511849 eV
  | Total energy (T->0) per atom                          :      -71276.36211508 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211508 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.027 s, elapsed      600.510 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.601848E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.2710E-03
  | Change of unmixed KS density  :  0.1241E-02
  | Change of sum of eigenvalues  : -0.1530E-02 eV
  | Change of total energy        :  0.1016E-05 eV


------------------------------------------------------------
  End self-consistency iteration #    13       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.656 s           1.601 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.120 s           0.065 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.080 s           0.081 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.616 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   14

  Date     :  20220720, Time     :  184401.589
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999391449
  | Charge integration error                      :      -0.0000608551
  | Normalization factor for density and gradient :       1.0000001057

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.809266E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141648E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.811725E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.376 s, elapsed      145.644 s
  | RMS charge density error from multipole expansion :   0.140560E-01
  | Average real-space part of the electrostatic potential :      0.31511594 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.391 s, elapsed      348.855 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.080 s
  Finished solving standard eigenproblem
  | Time :     0.281 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01644307 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89313701 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97956938 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91356764 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00379821 Ha     -875390.34271963 eV
  | XC energy correction          :       -1534.80788719 Ha      -41764.24755188 eV
  | XC potential correction       :        2014.72601916 Ha       54823.48436946 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.44932024 Ha         148.28354820 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229322 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229322 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229322 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92886936 Ha     1488596.85350938 eV
  | Electrostatic energy          :     -105557.28424075 Ha    -2872359.84825072 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802541 Ha          -0.21838264 eV
  | Sum of eigenvalues per atom                           :      -43769.51713598 eV
  | Total energy (T->0) per atom                          :      -71276.36211466 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211466 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.126 s, elapsed      596.922 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.5867E-03
  | Change of unmixed KS density  :  0.6860E-03
  | Change of sum of eigenvalues  : -0.4035E-01 eV
  | Change of total energy        :  0.8400E-05 eV


------------------------------------------------------------
  End self-consistency iteration #    14       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.653 s           1.601 s
  | Charge density update                       :        0.509 s           0.509 s
  | Density mixing & preconditioning            :        0.118 s           0.066 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.619 s           0.619 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   15

  Date     :  20220720, Time     :  184403.251
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000074987
  | Charge integration error                      :       0.0000074987
  | Normalization factor for density and gradient :       0.9999999870

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.633638E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141578E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.636589E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.321 s, elapsed      145.545 s
  | RMS charge density error from multipole expansion :   0.140559E-01
  | Average real-space part of the electrostatic potential :      0.31510096 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.464 s, elapsed      349.367 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01645834 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89312321 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97958485 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91353836 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00513274 Ha     -875390.37903404 eV
  | XC energy correction          :       -1534.80785329 Ha      -41764.24662959 eV
  | XC potential correction       :        2014.72597473 Ha       54823.48316043 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45066528 Ha         148.32014876 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325859 Ha    -1425527.24229380 eV
  | Total energy, T -> 0          :      -52387.16325859 Ha    -1425527.24229380 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325859 Ha    -1425527.24229380 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92824373 Ha     1488596.83648499 eV
  | Electrostatic energy          :     -105557.28364903 Ha    -2872359.83214921 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802519 Ha          -0.21837658 eV
  | Sum of eigenvalues per atom                           :      -43769.51895170 eV
  | Total energy (T->0) per atom                          :      -71276.36211469 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211469 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      473.310 s, elapsed      598.843 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1693E-03
  | Change of unmixed KS density  :  0.6063E-03
  | Change of sum of eigenvalues  : -0.3631E-01 eV
  | Change of total energy        : -0.5870E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    15       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.662 s           1.605 s
  | Charge density update                       :        0.509 s           0.510 s
  | Density mixing & preconditioning            :        0.125 s           0.067 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.619 s           0.620 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   16

  Date     :  20220720, Time     :  184404.911
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999797186
  | Charge integration error                      :      -0.0000202814
  | Normalization factor for density and gradient :       1.0000000352

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.629702E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141376E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.632654E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.433 s, elapsed      145.916 s
  | RMS charge density error from multipole expansion :   0.140561E-01
  | Average real-space part of the electrostatic potential :      0.31510765 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.467 s, elapsed      349.285 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.276 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01645172 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89312598 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97957858 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354740 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00531863 Ha     -875390.38409237 eV
  | XC energy correction          :       -1534.80785777 Ha      -41764.24675142 eV
  | XC potential correction       :        2014.72598371 Ha       54823.48340477 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45084682 Ha         148.32508861 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325844 Ha    -1425527.24228978 eV
  | Total energy, T -> 0          :      -52387.16325844 Ha    -1425527.24228978 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325844 Ha    -1425527.24228978 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.93028165 Ha     1488596.89193968 eV
  | Electrostatic energy          :     -105557.28568232 Ha    -2872359.88747804 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802395 Ha          -0.21834268 eV
  | Sum of eigenvalues per atom                           :      -43769.51920462 eV
  | Total energy (T->0) per atom                          :      -71276.36211449 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211449 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.190 s, elapsed      598.235 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.600711E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.3321E-03
  | Change of unmixed KS density  :  0.4123E-03
  | Change of sum of eigenvalues  : -0.5058E-02 eV
  | Change of total energy        :  0.4021E-05 eV


------------------------------------------------------------
  End self-consistency iteration #    16       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.660 s           1.607 s
  | Charge density update                       :        0.510 s           0.509 s
  | Density mixing & preconditioning            :        0.116 s           0.063 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.624 s           0.624 s
  | Total energy evaluation                     :        0.009 s           0.009 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   17

  Date     :  20220720, Time     :  184406.573
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000056006
  | Charge integration error                      :       0.0000056006
  | Normalization factor for density and gradient :       0.9999999903

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.440791E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141154E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.432428E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.065 s, elapsed      145.492 s
  | RMS charge density error from multipole expansion :   0.140553E-01
  | Average real-space part of the electrostatic potential :      0.31508771 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.400 s, elapsed      348.785 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01641976 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309456 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954620 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354836 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00716069 Ha     -875390.43421728 eV
  | XC energy correction          :       -1534.80779885 Ha      -41764.24514815 eV
  | XC potential correction       :        2014.72590990 Ha       54823.48139637 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45270372 Ha         148.37561740 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325849 Ha    -1425527.24229101 eV
  | Total energy, T -> 0          :      -52387.16325849 Ha    -1425527.24229101 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325849 Ha    -1425527.24229101 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92889234 Ha     1488596.85413454 eV
  | Electrostatic energy          :     -105557.28435197 Ha    -2872359.85127740 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802234 Ha          -0.21829897 eV
  | Sum of eigenvalues per atom                           :      -43769.52171086 eV
  | Total energy (T->0) per atom                          :      -71276.36211455 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211455 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.030 s
  Time summed over all CPUs for getting density from density matrix: real work      473.079 s, elapsed      598.035 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.600711E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.7483E-04
  | Change of unmixed KS density  :  0.3273E-03
  | Change of sum of eigenvalues  : -0.5012E-01 eV
  | Change of total energy        : -0.1225E-05 eV


------------------------------------------------------------
  End self-consistency iteration #    17       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.671 s           1.619 s
  | Charge density update                       :        0.509 s           0.509 s
  | Density mixing & preconditioning            :        0.135 s           0.083 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.620 s           0.619 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   18

  Date     :  20220720, Time     :  184408.246
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999994455
  | Charge integration error                      :      -0.0000005545
  | Normalization factor for density and gradient :       1.0000000010

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =  -0.443251E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141128E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =  -0.458994E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.355 s, elapsed      149.437 s
  | RMS charge density error from multipole expansion :   0.140552E-01
  | Average real-space part of the electrostatic potential :      0.31508603 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.486 s, elapsed      349.068 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.077 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01641764 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309221 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954414 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354808 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00731375 Ha     -875390.43838214 eV
  | XC energy correction          :       -1534.80779220 Ha      -41764.24496713 eV
  | XC potential correction       :        2014.72590167 Ha       54823.48117246 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45285834 Ha         148.37982502 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325849 Ha    -1425527.24229116 eV
  | Total energy, T -> 0          :      -52387.16325849 Ha    -1425527.24229116 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325849 Ha    -1425527.24229116 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92869879 Ha     1488596.84886774 eV
  | Electrostatic energy          :     -105557.28416508 Ha    -2872359.84619176 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802213 Ha          -0.21829321 eV
  | Sum of eigenvalues per atom                           :      -43769.52191911 eV
  | Total energy (T->0) per atom                          :      -71276.36211456 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211456 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.192 s, elapsed      596.307 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.600711E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.6287E-04
  | Change of unmixed KS density  :  0.7287E-04
  | Change of sum of eigenvalues  : -0.4165E-02 eV
  | Change of total energy        : -0.1489E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    18       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.665 s           1.614 s
  | Charge density update                       :        0.509 s           0.509 s
  | Density mixing & preconditioning            :        0.123 s           0.072 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.080 s           0.080 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.623 s           0.623 s
  | Total energy evaluation                     :        0.007 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   19

  Date     :  20220720, Time     :  184409.923
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000005176
  | Charge integration error                      :       0.0000005176
  | Normalization factor for density and gradient :       0.9999999991

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.168150E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141106E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.168052E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.511 s, elapsed      149.248 s
  | RMS charge density error from multipole expansion :   0.140550E-01
  | Average real-space part of the electrostatic potential :      0.31508500 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.471 s, elapsed      348.962 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.077 s
  Finished solving standard eigenproblem
  | Time :     0.281 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01641874 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309242 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954551 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354691 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00732534 Ha     -875390.43869764 eV
  | XC energy correction          :       -1534.80778566 Ha      -41764.24478924 eV
  | XC potential correction       :        2014.72589395 Ha       54823.48096236 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45287110 Ha         148.38017210 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325852 Ha    -1425527.24229178 eV
  | Total energy, T -> 0          :      -52387.16325852 Ha    -1425527.24229178 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325852 Ha    -1425527.24229178 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92836049 Ha     1488596.83966213 eV
  | Electrostatic energy          :     -105557.28383334 Ha    -2872359.83716467 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802179 Ha          -0.21828398 eV
  | Sum of eigenvalues per atom                           :      -43769.52193488 eV
  | Total energy (T->0) per atom                          :      -71276.36211459 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211459 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.178 s, elapsed      599.735 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.600711E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.2523E-04
  | Change of unmixed KS density  :  0.6684E-04
  | Change of sum of eigenvalues  : -0.3155E-03 eV
  | Change of total energy        : -0.6264E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    19       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.684 s           1.624 s
  | Charge density update                       :        0.516 s           0.516 s
  | Density mixing & preconditioning            :        0.142 s           0.082 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.079 s           0.079 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.007 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   20

  Date     :  20220720, Time     :  184411.601
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999987340
  | Charge integration error                      :      -0.0000012660
  | Normalization factor for density and gradient :       1.0000000022

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.159836E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141096E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.159639E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.370 s, elapsed      164.973 s
  | RMS charge density error from multipole expansion :   0.140549E-01
  | Average real-space part of the electrostatic potential :      0.31508493 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.453 s, elapsed      348.788 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.082 s
  Finished solving standard eigenproblem
  | Time :     0.282 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01641909 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309283 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954539 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354744 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00751996 Ha     -875390.44399355 eV
  | XC energy correction          :       -1534.80777006 Ha      -41764.24436475 eV
  | XC potential correction       :        2014.72587401 Ha       54823.48041991 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45307003 Ha         148.38558542 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325854 Ha    -1425527.24229233 eV
  | Total energy, T -> 0          :      -52387.16325854 Ha    -1425527.24229233 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325854 Ha    -1425527.24229233 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92756071 Ha     1488596.81789907 eV
  | Electrostatic energy          :     -105557.28304918 Ha    -2872359.81582665 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802154 Ha          -0.21827728 eV
  | Sum of eigenvalues per atom                           :      -43769.52219968 eV
  | Total energy (T->0) per atom                          :      -71276.36211462 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211462 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      473.187 s, elapsed      635.618 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.3557E-04
  | Change of unmixed KS density  :  0.4073E-04
  | Change of sum of eigenvalues  : -0.5296E-02 eV
  | Change of total energy        : -0.5461E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    20       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.684 s           1.632 s
  | Charge density update                       :        0.528 s           0.528 s
  | Density mixing & preconditioning            :        0.120 s           0.068 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.088 s           0.088 s
  | Integration                                 :        0.311 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.618 s           0.618 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   21

  Date     :  20220720, Time     :  184413.284
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999004
  | Charge integration error                      :      -0.0000000996
  | Normalization factor for density and gradient :       1.0000000002

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =  -0.479656E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141089E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =  -0.491463E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.339 s, elapsed      152.133 s
  | RMS charge density error from multipole expansion :   0.140548E-01
  | Average real-space part of the electrostatic potential :      0.31508542 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.574 s, elapsed      348.553 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.077 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642047 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309322 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954686 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354636 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00736966 Ha     -875390.43990355 eV
  | XC energy correction          :       -1534.80777500 Ha      -41764.24449911 eV
  | XC potential correction       :        2014.72588081 Ha       54823.48060481 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45291787 Ha         148.38144472 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325854 Ha    -1425527.24229249 eV
  | Total energy, T -> 0          :      -52387.16325854 Ha    -1425527.24229249 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325854 Ha    -1425527.24229249 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92775550 Ha     1488596.82319967 eV
  | Electrostatic energy          :     -105557.28323905 Ha    -2872359.82099306 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802143 Ha          -0.21827428 eV
  | Sum of eigenvalues per atom                           :      -43769.52199518 eV
  | Total energy (T->0) per atom                          :      -71276.36211462 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211462 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.030 s
  Time summed over all CPUs for getting density from density matrix: real work      473.044 s, elapsed      599.716 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.2088E-04
  | Change of unmixed KS density  :  0.4881E-04
  | Change of sum of eigenvalues  :  0.4090E-02 eV
  | Change of total energy        : -0.1663E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    21       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.661 s           1.613 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.125 s           0.076 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.081 s           0.081 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.007 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   22

  Date     :  20220720, Time     :  184414.954
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999987994
  | Charge integration error                      :      -0.0000012006
  | Normalization factor for density and gradient :       1.0000000021

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.215476E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141081E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.217936E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.391 s, elapsed      145.574 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508632 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.437 s, elapsed      348.421 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.082 s
  Finished solving standard eigenproblem
  | Time :     0.281 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642213 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309475 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954849 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354626 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00727982 Ha     -875390.43745901 eV
  | XC energy correction          :       -1534.80777233 Ha      -41764.24442653 eV
  | XC potential correction       :        2014.72587792 Ha       54823.48052610 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45282824 Ha         148.37900584 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325856 Ha    -1425527.24229295 eV
  | Total energy, T -> 0          :      -52387.16325856 Ha    -1425527.24229295 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325856 Ha    -1425527.24229295 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92754877 Ha     1488596.81757427 eV
  | Electrostatic energy          :     -105557.28303500 Ha    -2872359.81544069 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802119 Ha          -0.21826775 eV
  | Sum of eigenvalues per atom                           :      -43769.52187295 eV
  | Total energy (T->0) per atom                          :      -71276.36211465 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211465 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.034 s
  Time summed over all CPUs for getting density from density matrix: real work      473.077 s, elapsed      599.541 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.597300E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1021E-04
  | Change of unmixed KS density  :  0.1767E-04
  | Change of sum of eigenvalues  :  0.2445E-02 eV
  | Change of total energy        : -0.4599E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    22       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.657 s           1.602 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.121 s           0.066 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.618 s           0.618 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   23

  Date     :  20220720, Time     :  184416.629
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999990666
  | Charge integration error                      :      -0.0000009334
  | Normalization factor for density and gradient :       1.0000000016

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.109017E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141077E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.109608E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.301 s, elapsed      145.592 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508724 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.440 s, elapsed      349.423 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.080 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642072 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309393 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954759 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354634 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708279 Ha     -875390.43209760 eV
  | XC energy correction          :       -1534.80778014 Ha      -41764.24463900 eV
  | XC potential correction       :        2014.72588845 Ha       54823.48081260 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45262849 Ha         148.37357025 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229311 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229311 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229311 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92791823 Ha     1488596.82762781 eV
  | Electrostatic energy          :     -105557.28339666 Ha    -2872359.82528192 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826493 eV
  | Sum of eigenvalues per atom                           :      -43769.52160488 eV
  | Total energy (T->0) per atom                          :      -71276.36211466 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211466 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.209 s, elapsed      599.489 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.5682E-05
  | Change of unmixed KS density  :  0.6694E-05
  | Change of sum of eigenvalues  :  0.5361E-02 eV
  | Change of total energy        : -0.1582E-06 eV


------------------------------------------------------------
  End self-consistency iteration #    23       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.683 s           1.612 s
  | Charge density update                       :        0.512 s           0.511 s
  | Density mixing & preconditioning            :        0.147 s           0.076 s
  | Hartree multipole update                    :        0.008 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.617 s           0.617 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   24

  Date     :  20220720, Time     :  184418.294
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999996621
  | Charge integration error                      :      -0.0000003379
  | Normalization factor for density and gradient :       1.0000000006

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =  -0.258768E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141077E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =  -0.240074E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.391 s, elapsed      145.398 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508749 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.493 s, elapsed      348.121 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642130 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309413 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954773 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354640 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00706217 Ha     -875390.43153634 eV
  | XC energy correction          :       -1534.80778047 Ha      -41764.24464804 eV
  | XC potential correction       :        2014.72588892 Ha       54823.48082559 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45260771 Ha         148.37300502 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229313 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229313 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229313 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92793229 Ha     1488596.82801036 eV
  | Electrostatic energy          :     -105557.28341038 Ha    -2872359.82565545 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802107 Ha          -0.21826449 eV
  | Sum of eigenvalues per atom                           :      -43769.52157682 eV
  | Total energy (T->0) per atom                          :      -71276.36211466 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211466 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.081 s, elapsed      599.334 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.8767E-05
  | Change of unmixed KS density  :  0.9331E-05
  | Change of sum of eigenvalues  :  0.5613E-03 eV
  | Change of total energy        : -0.2178E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    24       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.651 s           1.601 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.117 s           0.067 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.077 s
  | Integration                                 :        0.311 s           0.312 s
  | Solution of K.-S. eqns.                     :        0.616 s           0.616 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   25

  Date     :  20220720, Time     :  184419.948
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999946
  | Charge integration error                      :      -0.0000000054
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.178137E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141078E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.177202E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.515 s, elapsed      154.212 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508719 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.504 s, elapsed      347.942 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.082 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642103 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309340 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954723 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354617 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00706656 Ha     -875390.43165575 eV
  | XC energy correction          :       -1534.80778086 Ha      -41764.24465858 eV
  | XC potential correction       :        2014.72588941 Ha       54823.48083883 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45261200 Ha         148.37312165 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229322 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229322 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229322 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92798160 Ha     1488596.82935207 eV
  | Electrostatic energy          :     -105557.28345931 Ha    -2872359.82698671 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802108 Ha          -0.21826458 eV
  | Sum of eigenvalues per atom                           :      -43769.52158279 eV
  | Total energy (T->0) per atom                          :      -71276.36211466 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211466 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.491 s, elapsed      600.169 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.2383E-05
  | Change of unmixed KS density  :  0.9585E-05
  | Change of sum of eigenvalues  : -0.1194E-03 eV
  | Change of total energy        : -0.8177E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    25       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.752 s           1.701 s
  | Charge density update                       :        0.511 s           0.510 s
  | Density mixing & preconditioning            :        0.121 s           0.071 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.082 s           0.083 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.707 s           0.706 s
  | Total energy evaluation                     :        0.007 s           0.008 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   26

  Date     :  20220720, Time     :  184421.707
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999019
  | Charge integration error                      :      -0.0000000981
  | Normalization factor for density and gradient :       1.0000000002

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.137698E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141078E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.137009E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.289 s, elapsed      173.646 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508721 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.405 s, elapsed      371.163 s => Consider using load balancing!

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642107 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309335 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954720 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354615 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00705803 Ha     -875390.43142390 eV
  | XC energy correction          :       -1534.80778112 Ha      -41764.24466563 eV
  | XC potential correction       :        2014.72588976 Ha       54823.48084848 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45260338 Ha         148.37288719 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229322 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229322 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229322 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799798 Ha     1488596.82979779 eV
  | Electrostatic energy          :     -105557.28347543 Ha    -2872359.82742538 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802107 Ha          -0.21826441 eV
  | Sum of eigenvalues per atom                           :      -43769.52157119 eV
  | Total energy (T->0) per atom                          :      -71276.36211466 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211466 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.294 s, elapsed      598.750 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.4293E-05
  | Change of unmixed KS density  :  0.5184E-05
  | Change of sum of eigenvalues  :  0.2319E-03 eV
  | Change of total energy        : -0.8514E-08 eV


------------------------------------------------------------
  End self-consistency iteration #    26       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.691 s           1.636 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.130 s           0.075 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.091 s           0.092 s
  | Integration                                 :        0.322 s           0.322 s
  | Solution of K.-S. eqns.                     :        0.619 s           0.619 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   27

  Date     :  20220720, Time     :  184423.407
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000000057
  | Charge integration error                      :       0.0000000057
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.120234E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141080E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.120431E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      123.988 s, elapsed      159.164 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508679 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.494 s, elapsed      349.622 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.080 s
  Finished solving standard eigenproblem
  | Time :     0.281 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642082 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309306 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954713 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354592 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00707868 Ha     -875390.43198571 eV
  | XC energy correction          :       -1534.80778040 Ha      -41764.24464610 eV
  | XC potential correction       :        2014.72588878 Ha       54823.48082182 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45262429 Ha         148.37345609 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229326 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229326 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229326 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799586 Ha     1488596.82974016 eV
  | Electrostatic energy          :     -105557.28347403 Ha    -2872359.82738732 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802108 Ha          -0.21826462 eV
  | Sum of eigenvalues per atom                           :      -43769.52159929 eV
  | Total energy (T->0) per atom                          :      -71276.36211466 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211466 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.060 s, elapsed      598.369 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1147E-05
  | Change of unmixed KS density  :  0.4430E-05
  | Change of sum of eigenvalues  : -0.5618E-03 eV
  | Change of total energy        : -0.3722E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    27       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.683 s           1.623 s
  | Charge density update                       :        0.510 s           0.510 s
  | Density mixing & preconditioning            :        0.145 s           0.084 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.084 s           0.084 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.614 s           0.614 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   28

  Date     :  20220720, Time     :  184425.085
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000000055
  | Charge integration error                      :       0.0000000055
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.208589E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141081E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.219904E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.370 s, elapsed      145.982 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508661 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.394 s, elapsed      348.254 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.276 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642102 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309308 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954719 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354588 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708489 Ha     -875390.43215459 eV
  | XC energy correction          :       -1534.80778009 Ha      -41764.24463754 eV
  | XC potential correction       :        2014.72588836 Ha       54823.48081017 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45263061 Ha         148.37362802 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229330 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229330 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229330 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799192 Ha     1488596.82963308 eV
  | Electrostatic energy          :     -105557.28347041 Ha    -2872359.82728885 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802108 Ha          -0.21826471 eV
  | Sum of eigenvalues per atom                           :      -43769.52160773 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      473.164 s, elapsed      600.340 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.7795E-06
  | Change of unmixed KS density  :  0.7323E-06
  | Change of sum of eigenvalues  : -0.1689E-03 eV
  | Change of total energy        : -0.4277E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    28       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.653 s           1.601 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.121 s           0.069 s
  | Hartree multipole update                    :        0.008 s           0.008 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.614 s           0.614 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   29

  Date     :  20220720, Time     :  184426.738
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999903
  | Charge integration error                      :      -0.0000000097
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.131647E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141082E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.128941E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.397 s, elapsed      145.487 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508643 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.406 s, elapsed      349.755 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.082 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642111 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309318 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954730 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354588 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708863 Ha     -875390.43225637 eV
  | XC energy correction          :       -1534.80777977 Ha      -41764.24462891 eV
  | XC potential correction       :        2014.72588793 Ha       54823.48079846 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45263446 Ha         148.37373282 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229335 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229335 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229335 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92798654 Ha     1488596.82948668 eV
  | Electrostatic energy          :     -105557.28346535 Ha    -2872359.82715112 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802108 Ha          -0.21826479 eV
  | Sum of eigenvalues per atom                           :      -43769.52161282 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.248 s, elapsed      602.532 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.8078E-06
  | Change of unmixed KS density  :  0.9210E-06
  | Change of sum of eigenvalues  : -0.1018E-03 eV
  | Change of total energy        : -0.4890E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    29       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.686 s           1.637 s
  | Charge density update                       :        0.513 s           0.513 s
  | Density mixing & preconditioning            :        0.117 s           0.068 s
  | Hartree multipole update                    :        0.009 s           0.008 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.312 s           0.312 s
  | Solution of K.-S. eqns.                     :        0.646 s           0.645 s
  | Total energy evaluation                     :        0.007 s           0.008 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   30

  Date     :  20220720, Time     :  184428.431
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     576.0000000055
  | Charge integration error                      :       0.0000000055
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.519996E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141083E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.537215E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.062 s, elapsed      145.414 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508624 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.459 s, elapsed      347.860 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.084 s
  Finished solving standard eigenproblem
  | Time :     0.275 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642119 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309333 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954742 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354591 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00709256 Ha     -875390.43236337 eV
  | XC energy correction          :       -1534.80777943 Ha      -41764.24461968 eV
  | XC potential correction       :        2014.72588746 Ha       54823.48078581 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45263852 Ha         148.37384326 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229335 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229335 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229335 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92797873 Ha     1488596.82927415 eV
  | Electrostatic energy          :     -105557.28345788 Ha    -2872359.82694782 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826493 eV
  | Sum of eigenvalues per atom                           :      -43769.52161817 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.296 s, elapsed      604.657 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.6620E-06
  | Change of unmixed KS density  :  0.9148E-06
  | Change of sum of eigenvalues  : -0.1070E-03 eV
  | Change of total energy        :  0.7722E-08 eV


------------------------------------------------------------
  End self-consistency iteration #    30       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.673 s           1.620 s
  | Charge density update                       :        0.514 s           0.514 s
  | Density mixing & preconditioning            :        0.133 s           0.080 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.309 s
  | Solution of K.-S. eqns.                     :        0.616 s           0.616 s
  | Total energy evaluation                     :        0.009 s           0.009 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   31

  Date     :  20220720, Time     :  184430.120
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999803
  | Charge integration error                      :      -0.0000000197
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =  -0.386676E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141083E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =  -0.408322E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      123.932 s, elapsed      144.960 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508624 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.490 s, elapsed      348.892 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.081 s
  Finished solving standard eigenproblem
  | Time :     0.282 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642112 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309334 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954742 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354592 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708959 Ha     -875390.43228260 eV
  | XC energy correction          :       -1534.80777950 Ha      -41764.24462167 eV
  | XC potential correction       :        2014.72588756 Ha       54823.48078853 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45263552 Ha         148.37376174 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325858 Ha    -1425527.24229336 eV
  | Total energy, T -> 0          :      -52387.16325858 Ha    -1425527.24229336 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325858 Ha    -1425527.24229336 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92798176 Ha     1488596.82935646 eV
  | Electrostatic energy          :     -105557.28346083 Ha    -2872359.82702815 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826489 eV
  | Sum of eigenvalues per atom                           :      -43769.52161413 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.031 s
  Time summed over all CPUs for getting density from density matrix: real work      473.145 s, elapsed      599.055 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.9431E-06
  | Change of unmixed KS density  :  0.1295E-05
  | Change of sum of eigenvalues  :  0.8078E-04 eV
  | Change of total energy        : -0.1643E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    31       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.688 s           1.622 s
  | Charge density update                       :        0.510 s           0.509 s
  | Density mixing & preconditioning            :        0.154 s           0.087 s
  | Hartree multipole update                    :        0.009 s           0.010 s
  | Hartree multipole summation                 :        0.077 s           0.077 s
  | Integration                                 :        0.312 s           0.312 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   32

  Date     :  20220720, Time     :  184431.799
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999912
  | Charge integration error                      :      -0.0000000088
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.861413E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141084E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.856985E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.359 s, elapsed      145.466 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508625 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.443 s, elapsed      348.785 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.275 s
  Finished back-transformation of eigenvectors
  | Time :     0.023 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642107 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309335 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954740 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354594 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708596 Ha     -875390.43218387 eV
  | XC energy correction          :       -1534.80777964 Ha      -41764.24462549 eV
  | XC potential correction       :        2014.72588774 Ha       54823.48079343 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45263185 Ha         148.37366192 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325858 Ha    -1425527.24229337 eV
  | Total energy, T -> 0          :      -52387.16325858 Ha    -1425527.24229337 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325858 Ha    -1425527.24229337 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92798633 Ha     1488596.82948094 eV
  | Electrostatic energy          :     -105557.28346526 Ha    -2872359.82714882 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826493 eV
  | Sum of eigenvalues per atom                           :      -43769.52160919 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.030 s
  Time summed over all CPUs for getting density from density matrix: real work      473.260 s, elapsed      597.841 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.599574E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.2322E-06
  | Change of unmixed KS density  :  0.1041E-05
  | Change of sum of eigenvalues  :  0.9873E-04 eV
  | Change of total energy        : -0.7326E-08 eV


------------------------------------------------------------
  End self-consistency iteration #    32       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.651 s           1.597 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.117 s           0.062 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.310 s           0.310 s
  | Solution of K.-S. eqns.                     :        0.616 s           0.616 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   33

  Date     :  20220720, Time     :  184433.450
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999912
  | Charge integration error                      :      -0.0000000088
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.194421E-12
  | Sum of charges compensated after spline to logarithmic grids =   0.141084E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.195355E-12
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.357 s, elapsed      145.425 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508628 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.473 s, elapsed      349.958 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.080 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642104 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309332 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954738 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354594 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708229 Ha     -875390.43208393 eV
  | XC energy correction          :       -1534.80777984 Ha      -41764.24463080 eV
  | XC potential correction       :        2014.72588799 Ha       54823.48080028 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45262813 Ha         148.37356048 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229334 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229334 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229334 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799227 Ha     1488596.82964261 eV
  | Electrostatic energy          :     -105557.28347101 Ha    -2872359.82730515 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826500 eV
  | Sum of eigenvalues per atom                           :      -43769.52160420 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.033 s
  Time summed over all CPUs for getting density from density matrix: real work      473.123 s, elapsed      599.908 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1339E-06
  | Change of unmixed KS density  :  0.1407E-06
  | Change of sum of eigenvalues  :  0.9994E-04 eV
  | Change of total energy        :  0.3009E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    33       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.651 s           1.600 s
  | Charge density update                       :        0.511 s           0.511 s
  | Density mixing & preconditioning            :        0.118 s           0.067 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.077 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   34

  Date     :  20220720, Time     :  184435.106
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999941
  | Charge integration error                      :      -0.0000000059
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.752199E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141084E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.721698E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.378 s, elapsed      145.492 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508629 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.445 s, elapsed      349.901 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.080 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642102 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309330 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954736 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354594 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708037 Ha     -875390.43203171 eV
  | XC energy correction          :       -1534.80777994 Ha      -41764.24463364 eV
  | XC potential correction       :        2014.72588813 Ha       54823.48080393 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45262618 Ha         148.37350741 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325858 Ha    -1425527.24229337 eV
  | Total energy, T -> 0          :      -52387.16325858 Ha    -1425527.24229337 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325858 Ha    -1425527.24229337 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799561 Ha     1488596.82973326 eV
  | Electrostatic energy          :     -105557.28347424 Ha    -2872359.82739299 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826503 eV
  | Sum of eigenvalues per atom                           :      -43769.52160159 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.151 s, elapsed      598.960 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1412E-06
  | Change of unmixed KS density  :  0.1273E-06
  | Change of sum of eigenvalues  :  0.5222E-04 eV
  | Change of total energy        : -0.3445E-07 eV


------------------------------------------------------------
  End self-consistency iteration #    34       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.648 s           1.595 s
  | Charge density update                       :        0.509 s           0.509 s
  | Density mixing & preconditioning            :        0.117 s           0.064 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.614 s           0.614 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   35

  Date     :  20220720, Time     :  184436.758
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999992
  | Charge integration error                      :      -0.0000000008
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.819597E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141084E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.807790E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.372 s, elapsed      145.489 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508630 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.465 s, elapsed      349.086 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.083 s
  Finished solving standard eigenproblem
  | Time :     0.276 s
  Finished back-transformation of eigenvectors
  | Time :     0.025 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642103 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309330 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954736 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354594 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708032 Ha     -875390.43203030 eV
  | XC energy correction          :       -1534.80777996 Ha      -41764.24463414 eV
  | XC potential correction       :        2014.72588815 Ha       54823.48080454 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45262612 Ha         148.37350588 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325858 Ha    -1425527.24229338 eV
  | Total energy, T -> 0          :      -52387.16325858 Ha    -1425527.24229338 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325858 Ha    -1425527.24229338 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799634 Ha     1488596.82975312 eV
  | Electrostatic energy          :     -105557.28347495 Ha    -2872359.82741236 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826505 eV
  | Sum of eigenvalues per atom                           :      -43769.52160152 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Evaluating new KS density using the density matrix
  Evaluating density matrix
  Finished density matrix calculation
  | Time :     0.032 s
  Time summed over all CPUs for getting density from density matrix: real work      473.203 s, elapsed      600.217 s
  Integration grid: deviation in total charge (<rho> - N_e) =   1.598437E-10

  Self-consistency convergence accuracy:
  | Change of charge density      :  0.1033E-06
  | Change of unmixed KS density  :  0.1588E-06
  | Change of sum of eigenvalues  :  0.1414E-05 eV
  | Change of total energy        : -0.1584E-08 eV


------------------------------------------------------------
  End self-consistency iteration #    35       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.651 s           1.596 s
  | Charge density update                       :        0.511 s           0.510 s
  | Density mixing & preconditioning            :        0.117 s           0.062 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.078 s
  | Integration                                 :        0.311 s           0.311 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.007 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

------------------------------------------------------------
          Begin self-consistency iteration #   36

  Date     :  20220720, Time     :  184438.411
------------------------------------------------------------
  Pulay mixing of updated and previous charge densities.
  Renormalizing the density to the exact electron count on the 3D integration grid.
  | Formal number of electrons (from input files) :     576.0000000000
  | Integrated number of electrons on 3D grid     :     575.9999999999
  | Charge integration error                      :      -0.0000000001
  | Normalization factor for density and gradient :       1.0000000000

  Evaluating partitioned Hartree potential by multipole expansion.
  | Original multipole sum: apparent total charge =   0.881091E-13
  | Sum of charges compensated after spline to logarithmic grids =   0.141084E-05
  | Analytical far-field extrapolation by fixed multipoles:
  | Hartree multipole sum: apparent total charge =   0.885027E-13
  Summing up the Hartree potential.
  Time summed over all CPUs for potential: real work      124.389 s, elapsed      145.507 s
  | RMS charge density error from multipole expansion :   0.140547E-01
  | Average real-space part of the electrostatic potential :      0.31508629 eV

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.436 s, elapsed      349.954 s

  Updating Kohn-Sham eigenvalues and eigenvectors using ELSI and the ELPA eigensolver.
  Starting ELPA eigensolver
  Finished transformation to standard eigenproblem
  | Time :     0.079 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.024 s

  Obtaining occupation numbers and electronic chemical potential using ELSI.
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  | Chemical potential (Fermi level):    -7.01642106 eV
  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309329 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954736 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354593 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  Total energy components:
  | Sum of eigenvalues            :      -32170.00708104 Ha     -875390.43204997 eV
  | XC energy correction          :       -1534.80777996 Ha      -41764.24463411 eV
  | XC potential correction       :        2014.72588814 Ha       54823.48080439 eV
  | Free-atom electrostatic energy:      -20702.52691256 Ha     -563344.41993936 eV
  | Hartree energy correction     :           5.45262685 Ha         148.37352570 eV
  | Entropy correction            :          -0.00000000 Ha          -0.00000000 eV
  | ---------------------------
  | Total energy                  :      -52387.16325857 Ha    -1425527.24229335 eV
  | Total energy, T -> 0          :      -52387.16325857 Ha    -1425527.24229335 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :      -52387.16325857 Ha    -1425527.24229335 eV

  Derived energy quantities:
  | Kinetic energy                :       54704.92799662 Ha     1488596.82976084 eV
  | Electrostatic energy          :     -105557.28347523 Ha    -2872359.82742009 eV
  | Energy correction for multipole
  | error in Hartree potential    :          -0.00802109 Ha          -0.21826510 eV
  | Sum of eigenvalues per atom                           :      -43769.52160250 eV
  | Total energy (T->0) per atom                          :      -71276.36211467 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy per atom                       :      -71276.36211467 eV
  Preliminary charge convergence reached. Turning off preconditioner.


  Self-consistency convergence accuracy:
  | Change of charge density      :  0.7591E-07
  | Change of unmixed KS density  :  0.1282E-06
  | Change of sum of eigenvalues  : -0.1967E-04 eV
  | Change of total energy        :  0.2297E-07 eV

  Writing Kohn-Sham eigenvalues.
  K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  State    Occupation    Eigenvalue [Ha]    Eigenvalue [eV]
      1       2.00000       -1428.058935       -38859.46077
      2       2.00000       -1428.058935       -38859.46077
      3       2.00000       -1428.058935       -38859.46077
      4       2.00000       -1428.058935       -38859.46077
      5       2.00000        -668.338697       -18186.42126
      6       2.00000        -668.338697       -18186.42126
      7       2.00000        -668.338697       -18186.42126
      8       2.00000        -668.338697       -18186.42126
      9       2.00000        -218.065881        -5933.87453
     10       2.00000        -218.065881        -5933.87453
     11       2.00000        -218.065881        -5933.87453
     12       2.00000        -218.065881        -5933.87453
     13       2.00000        -195.452548        -5318.53443
     14       2.00000        -195.452548        -5318.53443
     15       2.00000        -195.452548        -5318.53443
     16       2.00000        -195.452548        -5318.53443
     17       2.00000        -195.452513        -5318.53349
     18       2.00000        -195.452513        -5318.53349
     19       2.00000        -195.452513        -5318.53349
     20       2.00000        -195.452513        -5318.53349
     21       2.00000        -195.452490        -5318.53287
     22       2.00000        -195.452490        -5318.53287
     23       2.00000        -195.452490        -5318.53287
     24       2.00000        -195.452490        -5318.53287
     25       2.00000         -91.105272        -2479.10058
     26       2.00000         -91.105272        -2479.10058
     27       2.00000         -91.105272        -2479.10058
     28       2.00000         -91.105272        -2479.10058
     29       2.00000         -88.514389        -2408.59909
     30       2.00000         -88.514389        -2408.59909
     31       2.00000         -88.514389        -2408.59909
     32       2.00000         -88.514389        -2408.59908
     33       2.00000         -88.514389        -2408.59907
     34       2.00000         -88.514389        -2408.59907
     35       2.00000         -88.514389        -2408.59907
     36       2.00000         -88.514389        -2408.59907
     37       2.00000         -88.514075        -2408.59054
     38       2.00000         -88.514075        -2408.59054
     39       2.00000         -88.514075        -2408.59053
     40       2.00000         -88.514075        -2408.59053
     41       2.00000         -81.245577        -2210.80464
     42       2.00000         -81.245577        -2210.80464
     43       2.00000         -81.245577        -2210.80464
     44       2.00000         -81.245577        -2210.80464
     45       2.00000         -81.245555        -2210.80402
     46       2.00000         -81.245554        -2210.80402
     47       2.00000         -81.245554        -2210.80402
     48       2.00000         -81.245554        -2210.80402
     49       2.00000         -81.245487        -2210.80219
     50       2.00000         -81.245487        -2210.80219
     51       2.00000         -81.245487        -2210.80219
     52       2.00000         -81.245487        -2210.80219
     53       2.00000         -45.739526        -1244.63582
     54       2.00000         -45.739526        -1244.63582
     55       2.00000         -45.739525        -1244.63581
     56       2.00000         -45.739525        -1244.63581
     57       2.00000         -38.559755        -1049.26431
     58       2.00000         -38.559755        -1049.26431
     59       2.00000         -38.559755        -1049.26431
     60       2.00000         -38.559755        -1049.26431
     61       2.00000         -38.559652        -1049.26150
     62       2.00000         -38.559651        -1049.26150
     63       2.00000         -38.559651        -1049.26150
     64       2.00000         -38.559651        -1049.26150
     65       2.00000         -38.559615        -1049.26050
     66       2.00000         -38.559615        -1049.26050
     67       2.00000         -38.559615        -1049.26050
     68       2.00000         -38.559615        -1049.26050
     69       2.00000         -28.150523         -766.01470
     70       2.00000         -28.150523         -766.01470
     71       2.00000         -28.150523         -766.01470
     72       2.00000         -28.150523         -766.01470
     73       2.00000         -28.150521         -766.01466
     74       2.00000         -28.150521         -766.01465
     75       2.00000         -28.150521         -766.01465
     76       2.00000         -28.150521         -766.01465
     77       2.00000         -28.150491         -766.01384
     78       2.00000         -28.150491         -766.01384
     79       2.00000         -28.150491         -766.01383
     80       2.00000         -28.150491         -766.01383
     81       2.00000         -28.150437         -766.01236
     82       2.00000         -28.150437         -766.01236
     83       2.00000         -28.150437         -766.01236
     84       2.00000         -28.150437         -766.01236
     85       2.00000         -28.150398         -766.01131
     86       2.00000         -28.150398         -766.01131
     87       2.00000         -28.150398         -766.01131
     88       2.00000         -28.150398         -766.01131
     89       2.00000         -14.939989         -406.53779
     90       2.00000         -14.939989         -406.53778
     91       2.00000         -14.939989         -406.53778
     92       2.00000         -14.939988         -406.53777
     93       2.00000         -11.743542         -319.55804
     94       2.00000         -11.743542         -319.55803
     95       2.00000         -11.743542         -319.55803
     96       2.00000         -11.743542         -319.55803
     97       2.00000         -11.743500         -319.55689
     98       2.00000         -11.743500         -319.55688
     99       2.00000         -11.743500         -319.55688
    100       2.00000         -11.743500         -319.55688
    101       2.00000         -11.743380         -319.55364
    102       2.00000         -11.743380         -319.55364
    103       2.00000         -11.743380         -319.55364
    104       2.00000         -11.743380         -319.55364
    105       2.00000          -8.959665         -243.80488
    106       2.00000          -8.959665         -243.80488
    107       2.00000          -8.959664         -243.80487
    108       2.00000          -8.959664         -243.80487
    109       2.00000          -7.774622         -211.55824
    110       2.00000          -7.774622         -211.55824
    111       2.00000          -7.774621         -211.55819
    112       2.00000          -7.774621         -211.55819
    113       2.00000          -7.774485         -211.55450
    114       2.00000          -7.774485         -211.55450
    115       2.00000          -7.774485         -211.55449
    116       2.00000          -7.774484         -211.55448
    117       2.00000          -7.774483         -211.55444
    118       2.00000          -7.774483         -211.55444
    119       2.00000          -7.774483         -211.55443
    120       2.00000          -7.774482         -211.55443
    121       2.00000          -6.650040         -180.95678
    122       2.00000          -6.650040         -180.95678
    123       2.00000          -6.650040         -180.95678
    124       2.00000          -6.650039         -180.95678
    125       2.00000          -6.649834         -180.95120
    126       2.00000          -6.649834         -180.95120
    127       2.00000          -6.649834         -180.95120
    128       2.00000          -6.649834         -180.95120
    129       2.00000          -6.649752         -180.94895
    130       2.00000          -6.649752         -180.94895
    131       2.00000          -6.649752         -180.94895
    132       2.00000          -6.649752         -180.94895
    133       2.00000          -6.500780         -176.89522
    134       2.00000          -6.500780         -176.89522
    135       2.00000          -6.500780         -176.89522
    136       2.00000          -6.500780         -176.89522
    137       2.00000          -6.500691         -176.89281
    138       2.00000          -6.500691         -176.89281
    139       2.00000          -6.500691         -176.89281
    140       2.00000          -6.500691         -176.89281
    141       2.00000          -6.500627         -176.89105
    142       2.00000          -6.500627         -176.89105
    143       2.00000          -6.500627         -176.89105
    144       2.00000          -6.500627         -176.89105
    145       2.00000          -6.500152         -176.87812
    146       2.00000          -6.500152         -176.87812
    147       2.00000          -6.500152         -176.87812
    148       2.00000          -6.500152         -176.87812
    149       2.00000          -6.500072         -176.87596
    150       2.00000          -6.500072         -176.87596
    151       2.00000          -6.500072         -176.87596
    152       2.00000          -6.500072         -176.87596
    153       2.00000          -5.753972         -156.57355
    154       2.00000          -5.753972         -156.57354
    155       2.00000          -5.753972         -156.57354
    156       2.00000          -5.753972         -156.57354
    157       2.00000          -5.753932         -156.57247
    158       2.00000          -5.753932         -156.57247
    159       2.00000          -5.753932         -156.57247
    160       2.00000          -5.753932         -156.57246
    161       2.00000          -5.753932         -156.57246
    162       2.00000          -5.753932         -156.57246
    163       2.00000          -5.753932         -156.57246
    164       2.00000          -5.753932         -156.57246
    165       2.00000          -5.753817         -156.56933
    166       2.00000          -5.753817         -156.56933
    167       2.00000          -5.753817         -156.56933
    168       2.00000          -5.753817         -156.56932
    169       2.00000          -5.753817         -156.56932
    170       2.00000          -5.753817         -156.56932
    171       2.00000          -5.753817         -156.56931
    172       2.00000          -5.753816         -156.56930
    173       2.00000          -5.753751         -156.56752
    174       2.00000          -5.753750         -156.56751
    175       2.00000          -5.753750         -156.56751
    176       2.00000          -5.753750         -156.56751
    177       2.00000          -5.753611         -156.56373
    178       2.00000          -5.753611         -156.56372
    179       2.00000          -5.753611         -156.56372
    180       2.00000          -5.753611         -156.56372
    181       2.00000          -5.753293         -156.55507
    182       2.00000          -5.753293         -156.55506
    183       2.00000          -5.753293         -156.55506
    184       2.00000          -5.753293         -156.55506
    185       2.00000          -5.753293         -156.55506
    186       2.00000          -5.753292         -156.55505
    187       2.00000          -5.753292         -156.55505
    188       2.00000          -5.753292         -156.55505
    189       2.00000          -3.301983          -89.85153
    190       2.00000          -3.301983          -89.85152
    191       2.00000          -3.301983          -89.85152
    192       2.00000          -3.301983          -89.85152
    193       2.00000          -3.301979          -89.85142
    194       2.00000          -3.301979          -89.85142
    195       2.00000          -3.301979          -89.85142
    196       2.00000          -3.301979          -89.85142
    197       2.00000          -3.301868          -89.84840
    198       2.00000          -3.301868          -89.84840
    199       2.00000          -3.301868          -89.84839
    200       2.00000          -3.301868          -89.84839
    201       2.00000          -3.301739          -89.84490
    202       2.00000          -3.301739          -89.84490
    203       2.00000          -3.301739          -89.84490
    204       2.00000          -3.301739          -89.84490
    205       2.00000          -3.301635          -89.84207
    206       2.00000          -3.301635          -89.84207
    207       2.00000          -3.301635          -89.84206
    208       2.00000          -3.301635          -89.84206
    209       2.00000          -2.079109          -56.57545
    210       2.00000          -2.079099          -56.57516
    211       2.00000          -2.079090          -56.57492
    212       2.00000          -2.079080          -56.57463
    213       2.00000          -1.274668          -34.68547
    214       2.00000          -1.274518          -34.68139
    215       2.00000          -1.274275          -34.67477
    216       2.00000          -1.274239          -34.67381
    217       2.00000          -1.273933          -34.66547
    218       2.00000          -1.273907          -34.66478
    219       2.00000          -1.273766          -34.66093
    220       2.00000          -1.273700          -34.65913
    221       2.00000          -1.273541          -34.65483
    222       2.00000          -1.273514          -34.65407
    223       2.00000          -1.273177          -34.64491
    224       2.00000          -1.273141          -34.64393
    225       2.00000          -1.252421          -34.08010
    226       2.00000          -1.252078          -34.07078
    227       2.00000          -1.251971          -34.06786
    228       2.00000          -1.251782          -34.06271
    229       2.00000          -0.754638          -20.53474
    230       2.00000          -0.738467          -20.09470
    231       2.00000          -0.737245          -20.06146
    232       2.00000          -0.735993          -20.02738
    233       2.00000          -0.735480          -20.01343
    234       2.00000          -0.730129          -19.86782
    235       2.00000          -0.724654          -19.71884
    236       2.00000          -0.717249          -19.51733
    237       2.00000          -0.717110          -19.51356
    238       2.00000          -0.713952          -19.42762
    239       2.00000          -0.712446          -19.38665
    240       2.00000          -0.710602          -19.33645
    241       2.00000          -0.710402          -19.33102
    242       2.00000          -0.706380          -19.22159
    243       2.00000          -0.696796          -18.96078
    244       2.00000          -0.692993          -18.85731
    245       2.00000          -0.689752          -18.76910
    246       2.00000          -0.689310          -18.75709
    247       2.00000          -0.687117          -18.69742
    248       2.00000          -0.685443          -18.65186
    249       2.00000          -0.685372          -18.64993
    250       2.00000          -0.675674          -18.38602
    251       2.00000          -0.667471          -18.16280
    252       2.00000          -0.665132          -18.09915
    253       2.00000          -0.454156          -12.35821
    254       2.00000          -0.439560          -11.96105
    255       2.00000          -0.430624          -11.71788
    256       2.00000          -0.426842          -11.61497
    257       2.00000          -0.413511          -11.25221
    258       2.00000          -0.413429          -11.24998
    259       2.00000          -0.411500          -11.19750
    260       2.00000          -0.402348          -10.94843
    261       2.00000          -0.401886          -10.93587
    262       2.00000          -0.400648          -10.90218
    263       2.00000          -0.388735          -10.57801
    264       2.00000          -0.382011          -10.39506
    265       2.00000          -0.381323          -10.37634
    266       2.00000          -0.380035          -10.34127
    267       2.00000          -0.377068          -10.26053
    268       2.00000          -0.373957          -10.17589
    269       2.00000          -0.373608          -10.16638
    270       2.00000          -0.365173           -9.93688
    271       2.00000          -0.363154           -9.88192
    272       2.00000          -0.361766           -9.84415
    273       2.00000          -0.355456           -9.67246
    274       2.00000          -0.350147           -9.52797
    275       2.00000          -0.336623           -9.15998
    276       2.00000          -0.336620           -9.15991
    277       2.00000          -0.325231           -8.84998
    278       2.00000          -0.323854           -8.81251
    279       2.00000          -0.322387           -8.77259
    280       2.00000          -0.308548           -8.39602
    281       2.00000          -0.306760           -8.34737
    282       2.00000          -0.306036           -8.32768
    283       2.00000          -0.302011           -8.21813
    284       2.00000          -0.301945           -8.21635
    285       2.00000          -0.297892           -8.10605
    286       2.00000          -0.291299           -7.92666
    287       2.00000          -0.290485           -7.90449
    288       2.00000          -0.290066           -7.89309
    289       0.00000          -0.256494           -6.97955
    290       0.00000          -0.252630           -6.87442
    291       0.00000          -0.249757           -6.79622
    292       0.00000          -0.244842           -6.66248
    293       0.00000          -0.200093           -5.44480
    294       0.00000          -0.198467           -5.40055
    295       0.00000          -0.185836           -5.05687
    296       0.00000          -0.181660           -4.94321
    297       0.00000          -0.180122           -4.90136
    298       0.00000          -0.176126           -4.79263
    299       0.00000          -0.166782           -4.53838
    300       0.00000          -0.154490           -4.20388
    301       0.00000          -0.144717           -3.93795
    302       0.00000          -0.141746           -3.85709
    303       0.00000          -0.135503           -3.68723
    304       0.00000          -0.131177           -3.56950
    305       0.00000          -0.126766           -3.44949
    306       0.00000          -0.124858           -3.39756
    307       0.00000          -0.124670           -3.39243
    308       0.00000          -0.122927           -3.34503
    309       0.00000          -0.119553           -3.25321
    310       0.00000          -0.116694           -3.17542
    311       0.00000          -0.115849           -3.15242
    312       0.00000          -0.114162           -3.10651
    313       0.00000          -0.106710           -2.90371
    314       0.00000          -0.103039           -2.80383
    315       0.00000          -0.088871           -2.41831
    316       0.00000          -0.079156           -2.15396
    317       0.00000          -0.077990           -2.12220
    318       0.00000          -0.073508           -2.00027
    319       0.00000          -0.070852           -1.92799
    320       0.00000          -0.066870           -1.81962
    321       0.00000          -0.064593           -1.75766
    322       0.00000          -0.057381           -1.56140
    323       0.00000          -0.053400           -1.45309
    324       0.00000          -0.046554           -1.26680
    325       0.00000          -0.042214           -1.14870
    326       0.00000          -0.041107           -1.11859
    327       0.00000          -0.034447           -0.93735
    328       0.00000          -0.031528           -0.85792
    329       0.00000          -0.031472           -0.85641
    330       0.00000          -0.024980           -0.67974
    331       0.00000          -0.013028           -0.35452
    332       0.00000          -0.001815           -0.04940
    333       0.00000           0.004022            0.10944
    334       0.00000           0.006577            0.17896
    335       0.00000           0.007287            0.19828
    336       0.00000           0.007567            0.20590
    337       0.00000           0.008387            0.22821
    338       0.00000           0.009228            0.25111
    339       0.00000           0.009295            0.25292
    340       0.00000           0.015283            0.41586
    341       0.00000           0.022529            0.61304
    342       0.00000           0.026731            0.72738
    343       0.00000           0.030624            0.83332
    344       0.00000           0.032724            0.89048
    345       0.00000           0.036214            0.98543
    346       0.00000           0.038588            1.05003
    347       0.00000           0.042365            1.15282
    348       0.00000           0.042433            1.15465
    349       0.00000           0.045860            1.24791
    350       0.00000           0.045971            1.25093
    351       0.00000           0.045984            1.25129
    352       0.00000           0.046114            1.25482
    353       0.00000           0.047969            1.30531
    354       0.00000           0.048468            1.31888
    355       0.00000           0.051002            1.38784
    356       0.00000           0.052490            1.42833
    357       0.00000           0.055261            1.50373
    358       0.00000           0.056165            1.52832
    359       0.00000           0.056201            1.52930
    360       0.00000           0.056202            1.52933
    361       0.00000           0.057491            1.56441
    362       0.00000           0.060564            1.64803
    363       0.00000           0.061462            1.67247
    364       0.00000           0.062658            1.70501
    365       0.00000           0.063270            1.72165
    366       0.00000           0.065076            1.77081
    367       0.00000           0.066366            1.80590
    368       0.00000           0.069713            1.89699

  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.89309329 eV (relative to internal zero)
  | Occupation number:      2.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.97954736 eV (relative to internal zero)
  | Occupation number:      0.00000018
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.91354593 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.

  | Chemical Potential                          :    -7.01642106 eV
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.

  Self-consistency cycle converged.


------------------------------------------------------------
  End self-consistency iteration #    36       :  max(cpu_time)    wall_clock(cpu1)
  | Time for this iteration                     :        1.144 s           1.091 s
  | Charge density update                       :        0.000 s           0.000 s
  | Density mixing                              :        0.118 s           0.064 s
  | Hartree multipole update                    :        0.009 s           0.009 s
  | Hartree multipole summation                 :        0.078 s           0.077 s
  | Integration                                 :        0.312 s           0.312 s
  | Solution of K.-S. eqns.                     :        0.615 s           0.615 s
  | Total energy evaluation                     :        0.006 s           0.006 s

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       68.800 MB (on task    3)
  |   Maximum:       72.193 MB (on task    8)
  |   Average:       70.207 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      101.206 MB (on task    3 after allocating temp_ham_ovlp)
  |   Maximum:      105.511 MB (on task  994 after allocating wave)
  |   Average:      102.616 MB
  | Largest tracked array allocation so far:
  |   Minimum:       28.126 MB (overlap_matrix on task    0)
  |   Maximum:       28.126 MB (overlap_matrix on task    0)
  |   Average:       28.126 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
------------------------------------------------------------

  Energy and forces in a compact form:
  | Total energy uncorrected      :         -0.142552724229335E+07 eV
  | Total energy corrected        :         -0.142552724229335E+07 eV  <-- do not rely on this value for anything but (periodic) metals
  | Electronic free energy        :         -0.142552724229335E+07 eV

  Calculating total density of states ...
  | Chemical potential is  -7.016421 eV.
  | writing DOS (shifted by electron chemical potential) to file KS_DOS_total.dat.no_soc
  | writing DOS (raw data) to file KS_DOS_total_raw.dat.no_soc
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.
  ------------------------------------ 
  Start decomposition of the XC Energy 
  ------------------------------------ 
  X and C from original XC functional choice 
  Hartree-Fock Energy :          0.000000000 Ha              0.000000000 eV
  X Energy            :      -1502.925958375 Ha         -40896.696128372 eV
  C Energy            :        -31.881821586 Ha           -867.548505738 eV
  XC Energy w/o HF    :      -1534.807779961 Ha         -41764.244634110 eV
  Total XC Energy     :      -1534.807779961 Ha         -41764.244634110 eV
  ------------------------------------ 
  LDA X and C from self-consistent density 
  X Energy LDA        :      -1456.311973654 Ha         -39628.265067060 eV
  C Energy LDA        :        -51.395792964 Ha          -1398.550684013 eV
  ------------------------------------ 
  End decomposition of the XC Energy 
  ------------------------------------ 

------------------------------------------------------------

  ******************************************************************
  **          STARTING SECOND VARIATIONAL SOC CALCULATION         **
  ******************************************************************

  ******************************************************************
  **                     Stable functionality:                    **
  **                 Writes eigenvalues to stdout                 **
  **                    Recalculates band gaps                    **
  **                Regular and interpolated DOSs                 **
  **                       Band structures                        **
  **                      Mulliken analysis                       **
  **                         ELSI Support                         **
  ******************************************************************

  ******************************************************************
  **               New/Experimental functionality:                **
  **         use_local_index and load balancing support           **
  **         Dielectric constant/absorption coefficents           **
  **             Specifying restricted energy window              **
  **                         Cube files                           **
  ******************************************************************

  ******************************************************************
  **            Known buggy functionality (in SOC code):          **
  **   SOC-perturbed total energies are meaningless (DO NOT USE)  **
  ******************************************************************

  ******************************************************************
  **                             Note:                            **
  **             You may see oscillations or blips in             **
  **       high-lying conduction bands or slight sub-banding      **
  **            in calculations.  This is likely due to           **
  **        to not enough empty bands being mixed into the        **
  **             eigensolver, and you should increase             **
  **      the keyword 'empty_states' until the behavior goes      **
  **                        away to fix it.                       **
  **      If you are feeling particularly paranoid, consider      **
  **        setting the calculate_all_eigenstates flag in         **
  **      control.in to calculate all empty states possible.      **
  **                    This is rarely needed.                    **
  ******************************************************************

  ******************************************************************
  **                      Future Developments:                    **
  **                       Self-Consistency                       **
  ******************************************************************

  Number of core states to omit from SOC       :                 0
  Number of high-lying states to omit from SOC :                 0

  Index of first SOC-perturbed state to save   :                 1
  Index of last SOC-perturbed state to save    :               736

  Creating ScaLAPACK distribution for matrices with leading dimension n_states_soc
  Calculating blocksize based on matrix dimension =          736  max_nprow =            3  max_npcol =            2
  Scalapack blocksize set to:           16

  Creating ScaLAPACK distribution for matrices with leading dimension n_basis_soc
  Calculating blocksize based on matrix dimension =         1808  max_nprow =            3  max_npcol =            2
  Scalapack blocksize set to:           16

  Allocating memory for main spin-orbit coupling matrices...
  Allocating        2.066 MB for soc_ham
  Allocating        2.066 MB for eigenvec_soc_wf_basis
  Allocating        3.257 MB for KS_eigenvalue_soc_perturbed
  Allocating        3.257 MB for occ_numbers_soc
  Allocating       16.284 MB for spin_expectation
  Allocating        0.006 MB for KS_eigenvalue_soc_perturbed_temp
  Allocating        0.003 MB for sr_to_soc_idxmap
  Allocating        0.028 MB for spin_expectation_temp
  Allocating        0.000 MB for KS_eigenvector_soc_perturbed
  Allocating       71.530 MB for soc_matrix

  Integrating SOC matrix: batch-based integration p2 version.
  Allocating        0.318 MB for dist_tab
  Allocating        0.318 MB for dist_tab_sq
  Allocating        0.953 MB for dir_tab
  Allocating        0.056 MB for i_basis_fns
  Allocating        1.903 MB for i_basis_fns_inv
  Allocating        0.056 MB for i_atom_fns
  Allocating        3.485 MB for gradient_basis_wave
  Allocating        0.008 MB for ylm_tab
  Allocating        0.002 MB for radial_wave
  Allocating        0.002 MB for radial_wave_deriv
  Allocating        0.035 MB for i_basis
  Allocating       11.318 MB for soc_shell
  Allocating        0.023 MB for cartesians
  Allocating        0.023 MB for sum_gradient
  Allocating        0.047 MB for sum_hessian
  Allocating        0.001 MB for potential_shell

  Largest matrix element of SOC matrix is                      5.11647
  Sparsity of soc_matrix based on threshold of 0.51165E-14 is 0.29230

  Determining occupation numbers for Kohn-Sham eigenstates.
  | Chemical potential (Fermi level) in eV                 : -.70154084E+01
  | Error in electron count due to remaining E_F inaccuracy: 0.00000000E+00
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.
  | Maximum occupation number of highest empty state:  0.00E+00

  Writing SOC-perturbed Kohn-Sham eigenvalues.
  K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  State    Occupation    Unperturbed Eigenvalue [eV]    Eigenvalue [eV]    Level Spacing [eV]
      1       1.00000                  -38859.460773      -38859.460773             0.000000
      2       1.00000                  -38859.460773      -38859.460773             0.000000
      3       1.00000                  -38859.460769      -38859.460769             0.000003
      4       1.00000                  -38859.460769      -38859.460769             0.000000
      5       1.00000                  -38859.460769      -38859.460769             0.000000
      6       1.00000                  -38859.460769      -38859.460769             0.000000
      7       1.00000                  -38859.460769      -38859.460769             0.000000
      8       1.00000                  -38859.460769      -38859.460769             0.000000
      9       1.00000                  -18186.421265      -18186.421265         20673.039504
     10       1.00000                  -18186.421265      -18186.421265             0.000000
     11       1.00000                  -18186.421263      -18186.421263             0.000001
     12       1.00000                  -18186.421263      -18186.421263             0.000000
     13       1.00000                  -18186.421263      -18186.421263             0.000000
     14       1.00000                  -18186.421263      -18186.421263             0.000000
     15       1.00000                  -18186.421263      -18186.421263             0.000000
     16       1.00000                  -18186.421263      -18186.421263             0.000000
     17       1.00000                   -5933.874531       -5933.874531         12252.546731
     18       1.00000                   -5933.874531       -5933.874531             0.000000
     19       1.00000                   -5933.874531       -5933.874531             0.000001
     20       1.00000                   -5933.874531       -5933.874531             0.000000
     21       1.00000                   -5933.874530       -5933.874530             0.000000
     22       1.00000                   -5933.874530       -5933.874530             0.000000
     23       1.00000                   -5933.874530       -5933.874530             0.000000
     24       1.00000                   -5933.874530       -5933.874530             0.000000
     25       1.00000                   -5318.534434       -5600.659699           333.214831
     26       1.00000                   -5318.534434       -5600.659699             0.000000
     27       1.00000                   -5318.534434       -5600.655907             0.003792
     28       1.00000                   -5318.534434       -5600.655907             0.000000
     29       1.00000                   -5318.534434       -5600.653004             0.002902
     30       1.00000                   -5318.534434       -5600.653004             0.000000
     31       1.00000                   -5318.534434       -5600.651753             0.001252
     32       1.00000                   -5318.534434       -5600.651753             0.000000
     33       1.00000                   -5318.533486       -5180.327156           420.324596
     34       1.00000                   -5318.533486       -5180.327156             0.000000
     35       1.00000                   -5318.533486       -5180.326863             0.000293
     36       1.00000                   -5318.533486       -5180.326863             0.000000
     37       1.00000                   -5318.533486       -5180.326607             0.000256
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    656       0.00000                      -0.857918          -0.857253             0.000000
    657       0.00000                      -0.856408          -0.849850             0.007403
    658       0.00000                      -0.856408          -0.849850             0.000000
    659       0.00000                      -0.679737          -0.664978             0.184872
    660       0.00000                      -0.679737          -0.664978             0.000000
    661       0.00000                      -0.354519          -0.351374             0.313604
    662       0.00000                      -0.354519          -0.351374             0.000000
    663       0.00000                      -0.049395          -0.041890             0.309484
    664       0.00000                      -0.049395          -0.041890             0.000000
    665       0.00000                       0.109440           0.102107             0.143997
    666       0.00000                       0.109440           0.102107             0.000000
    667       0.00000                       0.178962           0.132158             0.030051
    668       0.00000                       0.178962           0.132158             0.000000
    669       0.00000                       0.198280           0.199997             0.067839
    670       0.00000                       0.198280           0.199997             0.000000
    671       0.00000                       0.205896           0.230863             0.030866
    672       0.00000                       0.205896           0.230863             0.000000
    673       0.00000                       0.228213           0.234014             0.003151
    674       0.00000                       0.228213           0.234014             0.000000
    675       0.00000                       0.251113           0.253407             0.019393
    676       0.00000                       0.251113           0.253407             0.000000
    677       0.00000                       0.252923           0.313907             0.060500
    678       0.00000                       0.252923           0.313907             0.000000
    679       0.00000                       0.415863           0.416846             0.102939
    680       0.00000                       0.415863           0.416846             0.000000
    681       0.00000                       0.613039           0.616616             0.199769
    682       0.00000                       0.613039           0.616616             0.000000
    683       0.00000                       0.727376           0.729446             0.112830
    684       0.00000                       0.727376           0.729446             0.000000
    685       0.00000                       0.833324           0.831963             0.102517
    686       0.00000                       0.833324           0.831963             0.000000
    687       0.00000                       0.890476           0.885719             0.053757
    688       0.00000                       0.890476           0.885719             0.000000
    689       0.00000                       0.985426           0.988090             0.102371
    690       0.00000                       0.985426           0.988090             0.000000
    691       0.00000                       1.050032           1.044788             0.056698
    692       0.00000                       1.050032           1.044788             0.000000
    693       0.00000                       1.152822           1.143416             0.098629
    694       0.00000                       1.152822           1.143416             0.000000
    695       0.00000                       1.154648           1.162098             0.018681
    696       0.00000                       1.154648           1.162098             0.000000
    697       0.00000                       1.247909           1.195073             0.032975
    698       0.00000                       1.247909           1.195073             0.000000
    699       0.00000                       1.250927           1.244670             0.049597
    700       0.00000                       1.250927           1.244670             0.000000
    701       0.00000                       1.251292           1.260880             0.016210
    702       0.00000                       1.251292           1.260880             0.000000
    703       0.00000                       1.254816           1.272625             0.011745
    704       0.00000                       1.254816           1.272625             0.000000
    705       0.00000                       1.305309           1.321122             0.048497
    706       0.00000                       1.305309           1.321122             0.000000
    707       0.00000                       1.318882           1.342626             0.021504
    708       0.00000                       1.318882           1.342626             0.000000
    709       0.00000                       1.387843           1.400700             0.058073
    710       0.00000                       1.387843           1.400700             0.000000
    711       0.00000                       1.428333           1.407675             0.006975
    712       0.00000                       1.428333           1.407675             0.000000
    713       0.00000                       1.503733           1.477764             0.070090
    714       0.00000                       1.503733           1.477764             0.000000
    715       0.00000                       1.528319           1.510402             0.032637
    716       0.00000                       1.528319           1.510402             0.000000
    717       0.00000                       1.529300           1.521368             0.010966
    718       0.00000                       1.529300           1.521368             0.000000
    719       0.00000                       1.529334           1.549850             0.028482
    720       0.00000                       1.529334           1.549850             0.000000
    721       0.00000                       1.564409           1.602357             0.052508
    722       0.00000                       1.564409           1.602357             0.000000
    723       0.00000                       1.648035           1.637133             0.034775
    724       0.00000                       1.648035           1.637133             0.000000
    725       0.00000                       1.672467           1.690517             0.053384
    726       0.00000                       1.672467           1.690517             0.000000
    727       0.00000                       1.705014           1.731661             0.041145
    728       0.00000                       1.705014           1.731661             0.000000
    729       0.00000                       1.721654           1.735698             0.004037
    730       0.00000                       1.721654           1.735698             0.000000
    731       0.00000                       1.770807           1.791347             0.055649
    732       0.00000                       1.770807           1.791347             0.000000
    733       0.00000                       1.805902           1.816443             0.025096
    734       0.00000                       1.805902           1.816443             0.000000
    735       0.00000                       1.896987           1.913975             0.097532
    736       0.00000                       1.896987           1.913975             0.000000

  What follows are estimated values for band gap, HOMO, LUMO, etc.
  | They are estimated on a discrete k-point grid and not necessarily exact.
  | For converged numbers, create a DOS and/or band structure plot on a denser k-grid.

  Highest occupied state (VBM) at     -7.83959633 eV (relative to internal zero)
  | Occupation number:      1.00000000
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  Lowest unoccupied state (CBM) at    -6.98310116 eV (relative to internal zero)
  | Occupation number:      0.00000245
  | K-point:       1 at    0.000000    0.000000    0.000000 (in units of recip. lattice)

  ESTIMATED overall HOMO-LUMO gap:      0.85649517 eV between HOMO at k-point 1 and LUMO at k-point 1
  | This appears to be a direct band gap.
  The gap value is above 0.2 eV. Unless you are using a very sparse k-point grid,
  this system is most likely an insulator or a semiconductor.
  Calculating total density of states ...
  | Chemical potential is  -7.015408 eV.
  | writing DOS (shifted by electron chemical potential) to file KS_DOS_total.dat
  | writing DOS (raw data) to file KS_DOS_total_raw.dat
  | Note that, for insulating systems, the printed 'chemical potential' value is not uniquely defined.
  | It can be anywhere in the energy gap, as long as it correctly separates occupied and unoccupied states.
  | In systems with a gap, the physically relevant chemical potential is the VBM or HOMO.


  Spin-orbit coupling                                     :  max(cpu_time)    wall_clock(cpu1)
  | Computing matrix elements for SOC operator            :          1.846               1.847
  | Constructing second-variational Hamiltonian           :          0.312               0.312
  | Diagonalizing second-variational Hamiltonian          :          0.272               0.273
  | Syncing data and calculating occupations              :          0.454               0.444
  | Writing out data, calculating band gaps, etc.         :          0.011               0.014
  | Total SOC time                                        :          2.918               2.918

  Partial memory accounting:
  | Current value for overall tracked memory usage:
  |   Minimum:       75.353 MB (on task    3)
  |   Maximum:       78.745 MB (on task    8)
  |   Average:       76.760 MB
  | Peak value for overall tracked memory usage:
  |   Minimum:      183.757 MB (on task 1195 after allocating potential_shell)
  |   Maximum:      198.329 MB (on task  994 after allocating potential_shell)
  |   Average:      191.516 MB
  | Largest tracked array allocation so far:
  |   Minimum:       71.530 MB (soc_matrix on task    0)
  |   Maximum:       71.530 MB (soc_matrix on task    0)
  |   Average:       71.530 MB
  Note:  These values currently only include a subset of arrays which are explicitly tracked.
  The "true" memory usage will be greater.
 ------------------------------------------------------------

  -------------------------------------------------------------------
  Writing the requested band structure output (ScaLAPACK version):
  -------------------------------------------------------------------

  Integrating Hamiltonian matrix: batch-based integration.
  Time summed over all CPUs for integration: real work      279.485 s, elapsed      349.787 s
  Allocating       71.530 MB for soc_matrix
  Integrating SOC matrix: batch-based integration p2 version.
  Allocating        0.318 MB for dist_tab
  Allocating        0.318 MB for dist_tab_sq
  Allocating        0.953 MB for dir_tab
  Allocating        0.056 MB for i_basis_fns
  Allocating        1.903 MB for i_basis_fns_inv
  Allocating        0.056 MB for i_atom_fns
  Allocating        3.485 MB for gradient_basis_wave
  Allocating        0.008 MB for ylm_tab
  Allocating        0.002 MB for radial_wave
  Allocating        0.002 MB for radial_wave_deriv
  Allocating        0.035 MB for i_basis
  Allocating       11.318 MB for soc_shell
  Allocating        0.023 MB for cartesians
  Allocating        0.023 MB for sum_gradient
  Allocating        0.047 MB for sum_hessian
  Allocating        0.001 MB for potential_shell

  Treating all k-points in band plot segment #   1, one-by-one:


  Calculating k-point    1 in band plot segment #   1:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.5905E-04,  0.1080E+02
  Finished singularity check of overlap matrix
  | Time :     0.142 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.061 s
  Finished solving standard eigenproblem
  | Time :     0.281 s
  Finished back-transformation of eigenvectors
  | Time :     0.022 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    1
  |Lowest unoccupied state:      -6.97954736eV
  |Highest occupied state:        -7.89309329eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    1
  |Lowest unoccupied state:      -6.98310116eV
  |Highest occupied state:        -7.83959633eV


  Treating all k-points in band plot segment #   2, one-by-one:


  Calculating k-point    1 in band plot segment #   2:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2027E-03,  0.7775E+01
  Finished singularity check of overlap matrix
  | Time :     0.138 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.066 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.026 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    2
  |Lowest unoccupied state:      -6.85877467eV
  |Highest occupied state:        -7.99127322eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    2
  |Lowest unoccupied state:      -6.85994888eV
  |Highest occupied state:        -7.98630783eV


  Treating all k-points in band plot segment #   3, one-by-one:


  Calculating k-point    1 in band plot segment #   3:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.1883E-03,  0.7544E+01
  Finished singularity check of overlap matrix
  | Time :     0.138 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.063 s
  Finished solving standard eigenproblem
  | Time :     0.282 s
  Finished back-transformation of eigenvectors
  | Time :     0.027 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    3
  |Lowest unoccupied state:      -6.85877467eV
  |Highest occupied state:        -7.99322528eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    3
  |Lowest unoccupied state:      -6.85994888eV
  |Highest occupied state:        -7.98861163eV


  Treating all k-points in band plot segment #   4, one-by-one:


  Calculating k-point    1 in band plot segment #   4:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2049E-03,  0.7828E+01
  Finished singularity check of overlap matrix
  | Time :     0.138 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.041 s
  Finished transformation to standard eigenproblem
  | Time :     0.062 s
  Finished solving standard eigenproblem
  | Time :     0.276 s
  Finished back-transformation of eigenvectors
  | Time :     0.026 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    4
  |Lowest unoccupied state:      -6.97954736eV
  |Highest occupied state:        -7.89309329eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    4
  |Lowest unoccupied state:      -6.98310116eV
  |Highest occupied state:        -7.83959633eV


  Treating all k-points in band plot segment #   5, one-by-one:


  Calculating k-point    1 in band plot segment #   5:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.5905E-04,  0.1080E+02
  Finished singularity check of overlap matrix
  | Time :     0.141 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.063 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.027 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    5
  |Lowest unoccupied state:      -6.97954736eV
  |Highest occupied state:        -7.89309329eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    5
  |Lowest unoccupied state:      -6.98310116eV
  |Highest occupied state:        -7.83959633eV


  Treating all k-points in band plot segment #   6, one-by-one:


  Calculating k-point    1 in band plot segment #   6:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.1191E-03,  0.8958E+01
  Finished singularity check of overlap matrix
  | Time :     0.144 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.039 s
  Finished transformation to standard eigenproblem
  | Time :     0.065 s
  Finished solving standard eigenproblem
  | Time :     0.280 s
  Finished back-transformation of eigenvectors
  | Time :     0.027 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    6
  |Lowest unoccupied state:      -6.76570131eV
  |Highest occupied state:        -8.13661046eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    6
  |Lowest unoccupied state:      -6.76679998eV
  |Highest occupied state:        -8.11851138eV


  Treating all k-points in band plot segment #   7, one-by-one:


  Calculating k-point    1 in band plot segment #   7:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2024E-03,  0.7155E+01
  Finished singularity check of overlap matrix
  | Time :     0.139 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.064 s
  Finished solving standard eigenproblem
  | Time :     0.278 s
  Finished back-transformation of eigenvectors
  | Time :     0.027 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    7
  |Lowest unoccupied state:      -5.75331457eV
  |Highest occupied state:        -8.20372011eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    7
  |Lowest unoccupied state:      -5.75929490eV
  |Highest occupied state:        -8.19619144eV


  Treating all k-points in band plot segment #   8, one-by-one:


  Calculating k-point    1 in band plot segment #   8:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2557E-03,  0.6892E+01
  Finished singularity check of overlap matrix
  | Time :     0.135 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.041 s
  Finished transformation to standard eigenproblem
  | Time :     0.064 s
  Finished solving standard eigenproblem
  | Time :     0.281 s
  Finished back-transformation of eigenvectors
  | Time :     0.026 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    8
  |Lowest unoccupied state:      -5.74686595eV
  |Highest occupied state:        -8.25140944eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    8
  |Lowest unoccupied state:      -5.75921568eV
  |Highest occupied state:        -8.24011596eV


  Treating all k-points in band plot segment #   9, one-by-one:


  Calculating k-point    1 in band plot segment #   9:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2052E-03,  0.7169E+01
  Finished singularity check of overlap matrix
  | Time :     0.134 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.041 s
  Finished transformation to standard eigenproblem
  | Time :     0.064 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.026 s

  Scalar-relativistic "band gap" along reciprocal space direction number:    9
  |Lowest unoccupied state:      -6.76570131eV
  |Highest occupied state:        -8.15976902eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:    9
  |Lowest unoccupied state:      -6.76679998eV
  |Highest occupied state:        -8.11936103eV


  Treating all k-points in band plot segment #  10, one-by-one:


  Calculating k-point    1 in band plot segment #  10:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2049E-03,  0.7828E+01
  Finished singularity check of overlap matrix
  | Time :     0.139 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.064 s
  Finished solving standard eigenproblem
  | Time :     0.276 s
  Finished back-transformation of eigenvectors
  | Time :     0.028 s

  Scalar-relativistic "band gap" along reciprocal space direction number:   10
  |Lowest unoccupied state:      -5.89174999eV
  |Highest occupied state:        -8.12930184eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:   10
  |Lowest unoccupied state:      -5.89487099eV
  |Highest occupied state:        -8.12130348eV


  Treating all k-points in band plot segment #  11, one-by-one:


  Calculating k-point    1 in band plot segment #  11:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.2024E-03,  0.7155E+01
  Finished singularity check of overlap matrix
  | Time :     0.141 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.041 s
  Finished transformation to standard eigenproblem
  | Time :     0.062 s
  Finished solving standard eigenproblem
  | Time :     0.279 s
  Finished back-transformation of eigenvectors
  | Time :     0.029 s

  Scalar-relativistic "band gap" along reciprocal space direction number:   11
  |Lowest unoccupied state:      -5.83891430eV
  |Highest occupied state:        -8.20837238eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:   11
  |Lowest unoccupied state:      -5.84405739eV
  |Highest occupied state:        -8.19229132eV


  Treating all k-points in band plot segment #  12, one-by-one:


  Calculating k-point    1 in band plot segment #  12:
  Overlap matrix is not singular
  | Lowest and highest eigenvalues :  0.1883E-03,  0.7544E+01
  Finished singularity check of overlap matrix
  | Time :     0.139 s
  Starting ELPA eigensolver
  Finished Cholesky decomposition
  | Time :     0.040 s
  Finished transformation to standard eigenproblem
  | Time :     0.065 s
  Finished solving standard eigenproblem
  | Time :     0.276 s
  Finished back-transformation of eigenvectors
  | Time :     0.028 s

  Scalar-relativistic "band gap" along reciprocal space direction number:   12
  |Lowest unoccupied state:      -6.85877467eV
  |Highest occupied state:        -7.99319829eV

  Spin-orbit-coupled "band gap" along reciprocal space direction number:   12
  |Lowest unoccupied state:      -6.85994888eV
  |Highest occupied state:        -7.98852135eV


  Band Structure                                          :  max(cpu_time) wall_clock(cpu1)
  | Total Time                                            :         21.636           21.694
------------------------------------------------------------

------------------------------------------------------------------------------
  Final output of selected total energy values:

  The following output summarizes some interesting total energy values
  at the end of a run (AFTER all relaxation, molecular dynamics, etc.).

  | Total energy of the DFT / Hartree-Fock s.c.f. calculation      :       -1425527.242293353 eV
  | Final zero-broadening corrected energy (caution - metals only) :       -1425527.242293353 eV
  | Total energy after non-SC SOC correction (DO NOT USE)          :       -1425527.777427651 eV
  | For reference only, the value of 1 Hartree used in FHI-aims is :             27.211384500 eV
  | For reference only, the overall average (free atom contribution
  | + realspace contribution) of the electrostatic potential after
  | s.c.f. convergence is                                          :            -16.930927794 eV

  Before relying on these values, please be sure to understand exactly which
  total energy value is referred to by a given number. Different objects may
  all carry the same name 'total energy'. Definitions:

  Total energy of the DFT / Hartree-Fock s.c.f. calculation:
  | Note that this energy does not include ANY quantities calculated after the
  | s.c.f. cycle, in particular not ANY RPA, MP2, etc. many-body perturbation terms.

  Final zero-broadening corrected energy:
  | For metallic systems only, a broadening of the occupation numbers at the Fermi
  | level can be extrapolated back to zero broadening by an electron-gas inspired
  | formula. For all systems that are not real metals, this value can be
  | meaningless and should be avoided.

------------------------------------------------------------------------------
  Methods described in the following list of references were used in this FHI-aims run.
  If you publish the results, please make sure to cite these reference if they apply.
  FHI-aims is an academic code, and for our developers (often, Ph.D. students
  and postdocs), scientific credit in the community is essential.
  Thank you for helping us!

  For any use of FHI-aims, please cite:

    Volker Blum, Ralf Gehrke, Felix Hanke, Paula Havu, Ville Havu,
    Xinguo Ren, Karsten Reuter, and Matthias Scheffler
    'Ab initio molecular simulations with numeric atom-centered orbitals'
    Computer Physics Communications 180, 2175-2196 (2009)
    http://doi.org/10.1016/j.cpc.2009.06.022


  The provided symmetry information was generated with SPGlib:

    Atsushi Togo, Yusuke Seto, Dimitar Pashov
    SPGlib 1.7.3 obtained from http://spglib.sourceforge.net
    Copyright (C) 2008 Atsushi Togo


  For second-variational spin-orbit coupling used in your run, please cite:

    William P. Huhn and Volker Blum,
    'One-hundred-three compound band-structure benchmark of post-self-consistent'
    'spin-orbit coupling treatments in density functional theory'
    Phys. Rev. Materials 1, 033803 (2017).


  The ELSI infrastructure was used in your run to solve the Kohn-Sham electronic structure.
  Please check out http://elsi-interchange.org to learn more.
  If scalability is important for your project, please acknowledge ELSI by citing:

    V. W-z. Yu, F. Corsetti, A. Garcia, W. P. Huhn, M. Jacquelin, W. Jia,
    B. Lange, L. Lin, J. Lu, W. Mi, A. Seifitokaldani, A. Vazquez-Mayagoitia,
    C. Yang, H. Yang, and V. Blum
    'ELSI: A unified software interface for Kohn-Sham electronic structure solvers'
    Computer Physics Communications 222, 267-285 (2018).
    http://doi.org/10.1016/j.cpc.2017.09.007


  For the real-space grid partitioning and parallelization used in this calculation, please cite:

    Ville Havu, Volker Blum, Paula Havu, and Matthias Scheffler,
    'Efficient O(N) integration for all-electron electronic structure calculation'
    'using numerically tabulated basis functions'
    Journal of Computational Physics 228, 8367-8379 (2009).
    http://doi.org/10.1016/j.jcp.2009.08.008

  Of course, there are many other important community references, e.g., those cited in the
  above references. Our list is limited to references that describe implementations in the
  FHI-aims code. The reason is purely practical (length of this list) - please credit others as well.

 *********************************************************************
   Your are running FHI-aims on many cores. To achieve optimal
   performance for your particular architecture, it might be necessary
   to tune the following compilation and calculation settings:
    * Choosing the right Scalapack and MPI Libraries for your
       architecture is essential. If in doubt, refer to the
       documentation or the sysadmin of your supercomputer.
    * Please review our documentation of Makefile choices, particularly
       for ELPA, in the manual.
    * Some of the following FHI-aims keywords or combination thereof
       may be helpful:
        - FHI-aims setting: use_local_index .true.
        - FHI-aims setting: load_balancing .true.
        - FHI-aims setting: use_alltoall .false.
   Be mindful that the usefulness of these keywords can depend on your
   actual run and on the actual computer you are using. Please check
   their description in the manual and perform specific benchmarks to
   determine what is optimal for your computer. More detailed
   information and examples can be found at:
 http://aimsclub.fhi-berlin.mpg.de/wiki/index.php/Large_scale_settings
 *********************************************************************

------------------------------------------------------------
          Leaving FHI-aims.
          Date     :  20220720, Time     :  184504.265

          Computational steps:
          | Number of self-consistency cycles          :           36
          | Number of SCF (re)initializations          :            1

          Detailed time accounting                     :  max(cpu_time)    wall_clock(cpu1)
          | Total time                                  :       89.436 s          90.009 s
          | Preparation time                            :        0.737 s           0.801 s
          | Boundary condition initalization            :        0.293 s           0.293 s
          | Grid partitioning                           :        0.206 s           0.205 s
          | Preloading free-atom quantities on grid     :        0.054 s           0.054 s
          | Free-atom superposition energy              :        0.004 s           0.004 s
          | Total time for integrations                 :       11.956 s          11.957 s
          | Total time for solution of K.-S. equations  :       23.365 s          23.413 s
          | Total time for density update               :       18.406 s          18.403 s
          | Total time for mixing & preconditioning     :        4.485 s           2.542 s
          | Total time for Hartree multipole update     :        0.314 s           0.315 s
          | Total time for Hartree multipole sum        :        2.848 s           2.852 s
          | Total time for total energy evaluation      :        0.247 s           0.249 s
          | Total time for scaled ZORA corrections      :        0.000 s           0.000 s
          | Total time for perturbative SOC             :        2.918 s           2.918 s
          | Total time for band structures, DOS         :       21.754 s          21.724 s

          Partial memory accounting:
          | Residual value for overall tracked memory usage across tasks:     0.000000 MB (should be 0.000000 MB)
          | Peak values for overall tracked memory usage:
          |   Minimum:      183.757 MB (on task 1195 after allocating potential_shell)
          |   Maximum:      198.329 MB (on task  994 after allocating potential_shell)
          |   Average:      191.516 MB
          | Largest tracked array allocation:
          |   Minimum:       71.530 MB (soc_matrix on task    0)
          |   Maximum:       71.530 MB (soc_matrix on task    0)
          |   Average:       71.530 MB
          Note:  These values currently only include a subset of arrays which are explicitly tracked.
          The "true" memory usage will be greater.

          Have a nice day.
------------------------------------------------------------
