Stage_1/INCAR output for 1024: Optical_BPADA6FPDA_6_geofrom1019
Status:
finished
# SCF input for VASP
# Note that VASP uses the FIRST occurence of a keyword
# Extra input added by hand
LRPA = .TRUE.
# End of extra input
SYSTEM = Optical_BPADA6FPDA_6_geofrom1019
PREC = Accurate
ENCUT = 400.000
IBRION = -1
NSW = 0
ISIF = 2
NELMIN = 2
EDIFF = 1.0e-05
EDIFFG = -0.02
VOSKOWN = 1
NBLOCK = 1
NWRITE = 1
NELM = 60
ALGO = Normal (blocked Davidson)
ISPIN = 1
INIWAV = 1
ISTART = 0
ICHARG = 2
LWAVE = .FALSE.
LCHARG = .TRUE.
ADDGRID = .FALSE.
ISMEAR = 1
SIGMA = 0.2
LREAL = Auto
LSCALAPACK = .FALSE.
RWIGS = 0.77 0.32 0.73 0.75 0.72
# Default options for parallel
NPAR = 4