Sha256: 05785b7121e87793b2ff8bf4e3538bc65fdc5606e563afb3e1aa7ea5b086b2e7
Contents?: true
Size: 267 Bytes
Versions: 8
Compression:
Stored size: 267 Bytes
Contents
SYSTEM = Untitled (VASP)
PREC = High
IBRION = 2
NSW = 100
ISIF = 3
ENCUT = 700
NELM = 60
NELMIN = 2
EDIFF = 1.0e-05
EDIFFG = -0.02
ISPIN = 2
LWAVE = .TRUE.
LCHARG = .TRUE.
ISMEAR = 0
SIGMA = 0.1
IALGO = 38
LREAL = Auto
Version data entries
8 entries across 8 versions & 1 rubygems