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pawovlp 20
ntime 50
optcell 2
tolmxf 5.0d-5
dilatmx 1.2
ecutsm 0.5
ionmov 2
iscf 17
ecut 25
pawecutdg 50
acell 8.28 8.28 5.33
nband 30
occopt 7 tsmear 5.0d-3
znucl 22 8
natom 6 ntypat 2 typat 2*1 4*2
kptopt 1 kptrlatt 4 0 0 0 4 0 0 0 4
nshiftk 1
shiftk 0.5 0.5 0.5
nstep 50
toldfe 1.0d-8
xred 0.00000000 0.00000000 0.00000000
0.50000000 0.50000000 0.50000000
0.30530000 0.30530000 0.00000000
-0.30530000 -0.30530000 0.00000000
0.80530000 0.19470000 0.50000000
0.19470000 0.80530000 0.50000000
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