SYSTEM = GaN 553 CGM

! Initialization Parameters
NCORE   = 24

! Global Parameters
LREAL   = AUTO      ! Real space project yes/no
ISYM    = 0         ! symmetry switched off, reduces sampling of Brillouin zones
ALGO    = Fast      ! mix of Davidson and RMM-DIIS algorithms
ENCUT   = 400       ! eV, cutoff energy for plane-wave-basis set
ISPIN   = 2         ! spin-polarized calculations (collinear) performed
MAGMOM  = 300*0.6   ! specifies initial magnetic moment for each atom
PREC    = Accurate  ! accurate precision mode

! Relaxation Parameters
ISMEAR  = 0       ! Gaussian smearing
SIGMA   = 0.05    ! eV, width of smearing (ignored for tetrahedron method)
EDIFF   = 0.0002  ! eV, global break condition for electronic SC-loop
IBRION  = 2       ! ionic relaxation (conjugate gradient algorithm)
NELM    = 100     ! max number of electronic SC steps
NSW     = 99      ! max number of ionic steps
ISIF    = 0       ! no stress tensor calc, pos DOF (no cell shape/volume DOF)
SYMPREC = 0.001   ! POSCAR positional accuracy

! Output Parameters
NWRITE = 0        ! OUTCAR verbosity
NBLOCK = 10       ! XDATCAR verbosity
LASPH   = True    ! non-spherical contributions from gradient corrections inside PAW spheres included
! LMAXMIX = 4       ! for d-electrons, PAW charge densities passed through charge density mixer & written to CHGCAR
LORBIT  = 11      ! RWIGS ignored, DOSCAR and lm-decomposed PROCAR written
LWAVE   = False   ! write WAVECAR
! LCHARG  = .TRUE.  ! write CHGCAR, CHG
