.gitignore
.travis.yml
LICENSE
MANIFEST.in
README.md
__nanoversion__.txt
get_nanoversion.sh
requirements.txt
setup-sanitizer.py
setup.py
c/_phonopy.c
c/_spglib.c
c/harmonic/derivative_dynmat.c
c/harmonic/dynmat.c
c/harmonic_h/derivative_dynmat.h
c/harmonic_h/dynmat.h
c/kspclib/kgrid.c
c/kspclib/tetrahedron_method.c
c/kspclib_h/kgrid.h
c/kspclib_h/tetrahedron_method.h
c/spglib/arithmetic.c
c/spglib/cell.c
c/spglib/debug.c
c/spglib/delaunay.c
c/spglib/determination.c
c/spglib/hall_symbol.c
c/spglib/kgrid.c
c/spglib/kpoint.c
c/spglib/mathfunc.c
c/spglib/niggli.c
c/spglib/pointgroup.c
c/spglib/primitive.c
c/spglib/refinement.c
c/spglib/site_symmetry.c
c/spglib/sitesym_database.c
c/spglib/spacegroup.c
c/spglib/spg_database.c
c/spglib/spglib.c
c/spglib/spin.c
c/spglib/symmetry.c
c/spglib_h/arithmetic.h
c/spglib_h/cell.h
c/spglib_h/debug.h
c/spglib_h/delaunay.h
c/spglib_h/determination.h
c/spglib_h/hall_symbol.h
c/spglib_h/kgrid.h
c/spglib_h/kpoint.h
c/spglib_h/mathfunc.h
c/spglib_h/niggli.h
c/spglib_h/pointgroup.h
c/spglib_h/primitive.h
c/spglib_h/refinement.h
c/spglib_h/site_symmetry.h
c/spglib_h/sitesym_database.h
c/spglib_h/spacegroup.h
c/spglib_h/spg_database.h
c/spglib_h/spglib.h
c/spglib_h/spin.h
c/spglib_h/symmetry.h
c/spglib_h/version.h
conda/.binstar.yml
conda/anaconda_deploy.sh
conda/bld.bat
conda/build.sh
conda/meta.yaml
doc/Al-QHA.png
doc/FHI-aims.rst
doc/MacOSX.inc
doc/NaCl-PDOS-nac.png
doc/NaCl-PDOS-thm-nac.png
doc/NaCl-PDOS.png
doc/NaCl-VASPdfpt.png
doc/NaCl-band-NAC.png
doc/NaCl-band-PDOS-NAC.png
doc/NaCl-band.png
doc/NaCl-crystal-band-NAC.png
doc/NaCl-pwscf-band-NAC.png
doc/NaCl-pwscf-band.png
doc/NaCl-q2r-band-NAC.png
doc/QHA.png
doc/Si-DOS.png
doc/Si-QHA.png
doc/Si-crystal-band.png
doc/Si-gruneisen-band.png
doc/Si-gruneisen-mesh.png
doc/Si-props.png
doc/SnO2-GZG-offset.png
doc/SnO2-GZG.png
doc/Ubuntu-install.png
doc/abinit.rst
doc/animation.rst
doc/auxiliary-tools.rst
doc/band-connection.png
doc/band-labels.png
doc/band.png
doc/changelog.rst
doc/citation.rst
doc/command-options.rst
doc/conf.py
doc/crystal.rst
doc/documentation.rst
doc/elk.rst
doc/examples.rst
doc/external-tools.rst
doc/formulation.rst
doc/group-velocity.inc
doc/gruneisen.rst
doc/index.rst
doc/input-files.rst
doc/install.rst
doc/interfaces.rst
doc/output-files.rst
doc/pdos.png
doc/phonopy-logo.png
doc/phonopy-module.rst
doc/phonopy-slide-top.png
doc/procedure.png
doc/procedure.rst
doc/pwscf.rst
doc/qha.rst
doc/reference.rst
doc/rotation-C4.png
doc/setting-tags.rst
doc/siesta.rst
doc/symmetry.rst
doc/thermal-displacement.inc
doc/thermalprop.png
doc/vasp-dfpt.rst
doc/vasp.rst
doc/vitualbox-fromimage.png
doc/wien2k.rst
doc/workflow.rst
doc/_static/procedure.dot
example/Al-QHA/Al-QHA.py
example/Al-QHA/POSCAR--1
example/Al-QHA/POSCAR--2
example/Al-QHA/POSCAR--3
example/Al-QHA/POSCAR--4
example/Al-QHA/POSCAR--5
example/Al-QHA/POSCAR-0
example/Al-QHA/POSCAR-1
example/Al-QHA/POSCAR-2
example/Al-QHA/POSCAR-3
example/Al-QHA/POSCAR-4
example/Al-QHA/POSCAR-5
example/Al-QHA/README
example/Al-QHA/e-v.dat
example/Al-QHA/thermal_properties.yaml--1
example/Al-QHA/thermal_properties.yaml--2
example/Al-QHA/thermal_properties.yaml--3
example/Al-QHA/thermal_properties.yaml--4
example/Al-QHA/thermal_properties.yaml--5
example/Al-QHA/thermal_properties.yaml-0
example/Al-QHA/thermal_properties.yaml-1
example/Al-QHA/thermal_properties.yaml-2
example/Al-QHA/thermal_properties.yaml-3
example/Al-QHA/thermal_properties.yaml-4
example/Al-QHA/thermal_properties.yaml-5
example/Al2O3/Al2O3.py
example/Al2O3/BORN
example/Al2O3/FORCE_SETS
example/Al2O3/POSCAR
example/Al2O3/README
example/Al2O3/band.conf
example/CaTiO3/POSCAR-unitcell
example/CaTiO3/disp.yaml
example/CaTiO3/vasprun.xml-001
example/CaTiO3/vasprun.xml-002
example/CaTiO3/vasprun.xml-003
example/CaTiO3/vasprun.xml-004
example/Cr/FORCE_SETS
example/Cr/POSCAR-unitcell
example/Cr/README
example/Cr/disp.yaml
example/Cr/magmom.conf
example/Cr/vasprun.xml
example/FHI-aims/NaCl_B1-222/control.in
example/FHI-aims/NaCl_B1-222/geometry.in
example/FHI-aims/NaCl_B1-222/phonopy-FHI-aims-displacement-01/control.in
example/FHI-aims/NaCl_B1-222/phonopy-FHI-aims-displacement-01/geometry.in
example/FHI-aims/NaCl_B1-222/phonopy-FHI-aims-displacement-01/phonopy-FHI-aims-displacement-01.out
example/FHI-aims/NaCl_B1-222/phonopy-FHI-aims-displacement-02/control.in
example/FHI-aims/NaCl_B1-222/phonopy-FHI-aims-displacement-02/geometry.in
example/FHI-aims/NaCl_B1-222/phonopy-FHI-aims-displacement-02/phonopy-FHI-aims-displacement-02.out
example/FHI-aims/NaCl_B1-222_modulation/BORN
example/FHI-aims/NaCl_B1-222_modulation/control.in
example/FHI-aims/NaCl_B1-222_modulation/freq.dat
example/FHI-aims/NaCl_B1-222_modulation/geometry.in
example/FHI-aims/NaCl_B1-222_modulation/norm.dat
example/FHI-aims/NaCl_B1-222_modulation/output_geometry-001
example/FHI-aims/NaCl_B1-222_modulation/output_geometry-002
example/FHI-aims/NaCl_B1-222_modulation/output_geometry-003
example/FHI-aims/NaCl_B1-222_modulation/output_geometry-004
example/FHI-aims/NaCl_B1-222_modulation/output_geometry-005
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example/FHI-aims/NaCl_B1-222_modulation/output_geometry-orig
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example/FHI-aims/NaCl_B1-222_modulation/phonopy-FHI-aims-force_constants.dat
example/FHI-aims/NaCl_B1-222_modulation/phonopy-FHI-aims-displacement-01/control.in
example/FHI-aims/NaCl_B1-222_modulation/phonopy-FHI-aims-displacement-01/geometry.in
example/FHI-aims/NaCl_B1-222_modulation/phonopy-FHI-aims-displacement-01/phonopy-FHI-aims-displacement-01.out
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example/FHI-aims/Si_diamond-222/control.in
example/FHI-aims/Si_diamond-222/geometry.in
example/FHI-aims/Si_diamond-222/phonopy-FHI-aims-displacement-01/control.in
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example/FHI-aims/Si_diamond-222_modulation/control.in
example/FHI-aims/Si_diamond-222_modulation/freq.dat
example/FHI-aims/Si_diamond-222_modulation/geometry.in
example/FHI-aims/Si_diamond-222_modulation/norm.dat
example/FHI-aims/Si_diamond-222_modulation/output_geometry-001
example/FHI-aims/Si_diamond-222_modulation/output_geometry-002
example/FHI-aims/Si_diamond-222_modulation/output_geometry-003
example/FHI-aims/Si_diamond-222_modulation/output_geometry-004
example/FHI-aims/Si_diamond-222_modulation/output_geometry-005
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example/FHI-aims/Si_diamond-222_modulation/phonopy-FHI-aims-force_constants.dat
example/FHI-aims/Si_diamond-222_modulation/phonopy-FHI-aims-displacement-01/control.in
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example/FHI-aims/Si_diamond-333/control.in
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example/FHI-aims/Si_diamond-333/phonopy-FHI-aims-displacement-01/control.in
example/FHI-aims/Si_diamond-333/phonopy-FHI-aims-displacement-01/geometry.in
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example/FHI-aims/Si_diamond-444/control.in
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example/FHI-aims/Si_diamond-444/phonopy-FHI-aims-displacement-01/phonopy-FHI-aims-displacement-01.out
example/Graphene-siesta/Gr.fdf
example/Graphene-siesta/README
example/Graphene-siesta/run_example.sh
example/Graphene-siesta/disp-001/Gr.FA
example/LiF-nosym/BORN
example/LiF-nosym/FORCE_SETS
example/LiF-nosym/POSCAR
example/LiF-nosym/README
example/MgB2/FORCE_SETS
example/MgB2/MgB2.py
example/MgB2/POSCAR
example/MgB2/README
example/MgB2/band.conf
example/MgB2/disp.yaml
example/MgB2/vasprun.xml-001
example/MgB2/vasprun.xml-002
example/MgO/BORN
example/MgO/FORCE_SETS
example/MgO/POSCAR
example/MgO/README
example/MgO/band.conf
example/MgO/disp.yaml
example/MgO/vasprun.xml-001
example/MgO/vasprun.xml-002
example/NaCl/BORN
example/NaCl/FORCE_SETS
example/NaCl/NaCl-dynmat.py
example/NaCl/NaCl-gv.py
example/NaCl/NaCl-read_write_fc.py
example/NaCl/NaCl-yaml.py
example/NaCl/NaCl.py
example/NaCl/POSCAR
example/NaCl/README
example/NaCl/band-pdos.conf
example/NaCl/band.conf
example/NaCl/disp.yaml
example/NaCl/pdos.conf
example/NaCl/vasprun.xml-001
example/NaCl/vasprun.xml-002
example/NaCl-CRYSTAL/README
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example/NaCl-CRYSTAL/crystal.o
example/NaCl-CRYSTAL/supercell-001.o
example/NaCl-CRYSTAL/supercell-002.o
example/NaCl-QE-q2r/NaCl.in
example/NaCl-QE-q2r/NaCl.ph-gamma.in
example/NaCl-QE-q2r/NaCl.ph.in
example/NaCl-QE-q2r/README
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example/NaCl-VASPdfpt/FORCE_CONSTANTS
example/NaCl-VASPdfpt/OUTCAR
example/NaCl-VASPdfpt/POSCAR
example/NaCl-VASPdfpt/POSCAR-unitcell
example/NaCl-VASPdfpt/README
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example/NaCl-abinit/supercell-001.out
example/NaCl-abinit/supercell-002.out
example/NaCl-gruneisen/README
example/NaCl-gruneisen/NaCl-0.995/BORN
example/NaCl-gruneisen/NaCl-0.995/FORCE_SETS
example/NaCl-gruneisen/NaCl-0.995/POSCAR-unitcell
example/NaCl-gruneisen/NaCl-1.00/BORN
example/NaCl-gruneisen/NaCl-1.00/FORCE_SETS
example/NaCl-gruneisen/NaCl-1.00/POSCAR-unitcell
example/NaCl-gruneisen/NaCl-1.005/BORN
example/NaCl-gruneisen/NaCl-1.005/FORCE_SETS
example/NaCl-gruneisen/NaCl-1.005/POSCAR-unitcell
example/NaCl-pwscf/BORN
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example/NaCl-pwscf/NaCl-002.in
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example/NaCl-wien2k/NaCl-001.scf
example/NaCl-wien2k/NaCl-002.scf
example/NaCl-wien2k/NaCl.struct
example/NaCl-wien2k/README
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example/NaCl-wien2k-P1/NaCl-001.scf
example/NaCl-wien2k-P1/NaCl-002.scf
example/NaCl-wien2k-P1/NaCl.struct
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example/Si/POSCAR
example/Si/disp.yaml
example/Si/mesh.conf
example/Si/vasprun.xml
example/Si-CP2K/README
example/Si-CP2K/Si-supercell-001-forces-1_0.xyz
example/Si-CP2K/Si.inp
example/Si-CP2K/disp.yaml
example/Si-CRYSTAL/README
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example/Si-CRYSTAL/supercell-001.o
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example/Si-QHA/POSCAR--2
example/Si-QHA/POSCAR--3
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example/Si-QHA/POSCAR--5
example/Si-QHA/POSCAR-0
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example/Si-QHA/POSCAR-2
example/Si-QHA/POSCAR-3
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example/Si-elk/elk.in
example/Si-gruneisen/README
example/Si-gruneisen/Si-gruneisen.py
example/Si-gruneisen/minus/FORCE_SETS
example/Si-gruneisen/minus/POSCAR-unitcell
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example/Si-phonopy-qha/INCAR
example/Si-phonopy-qha/KPOINTS
example/Si-phonopy-qha/POSCAR
example/Si-phonopy-qha/README
example/Si-phonopy-qha/calc.sh
example/Si-phonopy-qha/script-qha.sh
example/Si-pwscf/README
example/Si-pwscf/Si.in
example/Si-pwscf/disp.yaml
example/Si-pwscf/supercell-001.out
example/Si-siesta/README
example/Si-siesta/Si.fdf
example/Si-siesta/run_example.sh
example/Si-siesta/disp-001/Si.FA
example/SiO2-HP/BORN
example/SiO2-HP/INCAR
example/SiO2-HP/POSCAR
example/SiO2-HP/README
example/SiO2-HP/anime.conf
example/SiO2-HP/band.conf
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example/SiO2-HP/vasprun.xml-003
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example/SnO2/FORCE_SETS
example/SnO2/POSCAR
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example/TiO2-anatase/BORN
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example/TiO2-anatase/vasprun-001.xml
example/TiO2-anatase/vasprun-002.xml
example/TiO2-anatase/vasprun-003.xml
example/TiO2-anatase/vasprun-004.xml
example/ZnO/BORN
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example/ZnO/README
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example/ase/8Si-phonon.py
phonopy/__init__.py
phonopy/api_gruneisen.py
phonopy/api_phonopy.py
phonopy/api_qha.py
phonopy/file_IO.py
phonopy/units.py
phonopy/version.py
phonopy.egg-info/PKG-INFO
phonopy.egg-info/SOURCES.txt
phonopy.egg-info/dependency_links.txt
phonopy.egg-info/requires.txt
phonopy.egg-info/top_level.txt
phonopy/cui/__init__.py
phonopy/cui/phonopy_argparse.py
phonopy/cui/settings.py
phonopy/cui/show_symmetry.py
phonopy/gruneisen/__init__.py
phonopy/gruneisen/band_structure.py
phonopy/gruneisen/core.py
phonopy/gruneisen/mesh.py
phonopy/gruneisen/thermal_properties.py
phonopy/harmonic/__init__.py
phonopy/harmonic/derivative_dynmat.py
phonopy/harmonic/displacement.py
phonopy/harmonic/dynamical_matrix.py
phonopy/harmonic/dynmat_to_fc.py
phonopy/harmonic/force_constants.py
phonopy/harmonic/forces.py
phonopy/interface/FHIaims.py
phonopy/interface/__init__.py
phonopy/interface/abinit.py
phonopy/interface/cif.py
phonopy/interface/cp2k.py
phonopy/interface/crystal.py
phonopy/interface/elk.py
phonopy/interface/phonopy_yaml.py
phonopy/interface/qe.py
phonopy/interface/siesta.py
phonopy/interface/vasp.py
phonopy/interface/wien2k.py
phonopy/phonon/__init__.py
phonopy/phonon/animation.py
phonopy/phonon/band_structure.py
phonopy/phonon/degeneracy.py
phonopy/phonon/dos.py
phonopy/phonon/group_velocity.py
phonopy/phonon/irreps.py
phonopy/phonon/mesh.py
phonopy/phonon/modulation.py
phonopy/phonon/moment.py
phonopy/phonon/qpoints_mode.py
phonopy/phonon/tetrahedron_mesh.py
phonopy/phonon/thermal_displacement.py
phonopy/phonon/thermal_properties.py
phonopy/qha/__init__.py
phonopy/qha/eos.py
phonopy/spectrum/__init__.py
phonopy/spectrum/velocity.py
phonopy/structure/__init__.py
phonopy/structure/atoms.py
phonopy/structure/brillouin_zone.py
phonopy/structure/cells.py
phonopy/structure/grid_points.py
phonopy/structure/spglib.py
phonopy/structure/symmetry.py
phonopy/structure/tetrahedron_method.py
phonopy/unfolding/__init__.py
scripts/phonopy
scripts/phonopy-FHI-aims
scripts/phonopy-bandplot
scripts/phonopy-dispmanager
scripts/phonopy-gruneisen
scripts/phonopy-gruneisenplot
scripts/phonopy-pdosplot
scripts/phonopy-propplot
scripts/phonopy-qha
scripts/phonopy-tdplot
scripts/phonopy-vasp-born
test/phonopy/BORN_NaCl
test/phonopy/FORCE_SETS_NaCl
test/phonopy/NaCl.yaml
test/phonopy/POSCAR_NaCl
test/phonopy/harmonic/__init__.py
test/phonopy/harmonic/comm_points.dat
test/phonopy/harmonic/test_dynmat_to_fc.py
test/phonopy/interface/BaGa2-wien2k.yaml
test/phonopy/interface/BaGa2.struct
test/phonopy/interface/FORCE_SETS_NaCl
test/phonopy/interface/NaCl-abinit-pwscf.yaml
test/phonopy/interface/NaCl-abinit.in
test/phonopy/interface/NaCl-pwscf.in
test/phonopy/interface/NaCl-vasp.yaml
test/phonopy/interface/Si-CRYSTAL.o
test/phonopy/interface/Si-CRYSTAL.yaml
test/phonopy/interface/__init__.py
test/phonopy/interface/phonopy.yaml
test/phonopy/interface/test_CRYSTAL.py
test/phonopy/interface/test_abinit.py
test/phonopy/interface/test_phonopy_yaml.py
test/phonopy/interface/test_pwscf.py
test/phonopy/interface/test_vasp.py
test/phonopy/interface/test_wien2k.py
test/phonopy/interface/vasprun.xml.tar.bz2
test/phonopy/phonon/FORCE_SETS_Amm2
test/phonopy/phonon/FORCE_SETS_I4_1a
test/phonopy/phonon/FORCE_SETS_P-3m1
test/phonopy/phonon/FORCE_SETS_P-4
test/phonopy/phonon/FORCE_SETS_P-42_1m
test/phonopy/phonon/FORCE_SETS_P-43m
test/phonopy/phonon/FORCE_SETS_P-6m2
test/phonopy/phonon/FORCE_SETS_P222_1
test/phonopy/phonon/FORCE_SETS_P4_1
test/phonopy/phonon/FORCE_SETS_P4mm
test/phonopy/phonon/FORCE_SETS_Pc
test/phonopy/phonon/POSCAR_Amm2
test/phonopy/phonon/POSCAR_I4_1a
test/phonopy/phonon/POSCAR_P-3m1
test/phonopy/phonon/POSCAR_P-4
test/phonopy/phonon/POSCAR_P-42_1m
test/phonopy/phonon/POSCAR_P-43m
test/phonopy/phonon/POSCAR_P-6m2
test/phonopy/phonon/POSCAR_P222_1
test/phonopy/phonon/POSCAR_P4_1
test/phonopy/phonon/POSCAR_P4mm
test/phonopy/phonon/POSCAR_Pc
test/phonopy/phonon/__init__.py
test/phonopy/phonon/test_irreps.py
test/phonopy/phonon/test_mesh.py
test/phonopy/phonon/test_moment.py
test/phonopy/phonon/test_tetrahedron_mesh.py
test/phonopy/spectrum/XDATCAR
test/phonopy/spectrum/__init__.py
test/phonopy/spectrum/test_velocity.py
test/phonopy/spectrum/velocities.dat
test/phonopy/structure/Cr.yaml
test/phonopy/structure/Si-conv.yaml
test/phonopy/structure/SiO2-123.yaml
test/phonopy/structure/__init__.py
test/phonopy/structure/test_atoms.py
test/phonopy/structure/test_cell.py
test/phonopy/structure/test_symmetry.py
test/phonopy/unfolding/FORCE_SETS
test/phonopy/unfolding/__init__.py
test/phonopy/unfolding/_test_unfolding.py
test/phonopy/unfolding/bin-unfolding.dat
test/phonopy/unfolding/bin-unfolding_to_atoms.dat
test/phonopy/unfolding/plot_band.py