atat-mirror/examples/fvasp.wrap

10 lines
100 B
Plaintext
Raw Permalink Normal View History

2023-08-31 20:30:18 +02:00
[INCAR]
PREC = high
ISMEAR = 1
SIGMA = 0.1
IBRION=-1
ISIF=2
LREAL=AUTO
KPPRA = 1000
USEPOT = PAWPBE