SYSTEM = Si0.5Ge0.5 zincblende primitive PBESol

# General
ICHARG = 11               ! read charge from CHGCAR and keep fixed
PREC   = Accurate         ! precision
ALGO   = Fast             ! blocked Davidson followed by RMM-DIIS
ISMEAR = 0                ! Gaussian, as Ge turns out to be a metal.
SIGMA  = 0.1              ! broadening in eV; predominant value in examples
GGA    = PS               ! PBEsol

# Electronic
ISPIN  = 1                ! non spin polarized calculations
ENCUT  = 320              ! (eV) the bigger value b/w
ENAUG  = 640              ! Si and Ge (both in SP basis!)
NBANDS = 24               ! more than the default ne/2+ni/2
EDIFF  = 1.0E-5           ! SCF tolerance (default is 1.e-4)
ISYM   = 2                ! memory conserving symmetrisation of the ch. den.

# Geometry optimisation:
IBRION =  -1              ! no ion motion nor cell change
NSW    =   0              ! no outer loop iteration
