atat-mirror/glue/abinit/abinit.wrap

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2023-08-31 20:30:18 +02:00
optcell 1
kptopt 1
ionmov 3
toldfe 1e-7
tolmxf 1e-6
nstep 20
ntime 20
ecut 8.0
ecutsm 0.5
kppra 1000
ppsuffix .pspnc