Sha256: 5ac9f43bc2feda9b17e4be90f7d082f08f886900ee726b8a22fca1b4cebde782
Contents?: true
Size: 267 Bytes
Versions: 88
Compression:
Stored size: 267 Bytes
Contents
SYSTEM = Untitled (VASP)
PREC = High
IBRION = 2
NSW = 100
ISIF = 3
ENCUT = 500
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
88 entries across 8 versions & 1 rubygems