atat-mirror/examples/vasp_par.wrap

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2023-08-31 20:30:18 +02:00
[INCAR]
PREC = high
ISMEAR = 1
SIGMA = 0.1
NSW=41
IBRION = 2
ISIF = 3
ISTART = 0
ICHARG = 1
KPPRA = 8000
DOSTATIC