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diemac 2.0
natfix 2
iatfix 5 6
nsym 1
nband 10 occopt 0 occ 2 2 2 2 2 2 2 2 0 0
pawovlp 20
ionmov 2
ntime 50
tolmxf 5.0d-4
toldff 5.0d-5
iscf 17
ecut 20
pawecutdg 40.0
nstep 50
natom 6 ntypat 2 typat 4*1 2*2
znucl 1 8
xcart 0.0000000000E+00 1.1539459530E+00 -1.4632821670E+00
0.0000000000E+00 1.1539459530E+00 1.4632821670E+00
0.0000000000E+00 18.846054047E+00 -1.4632821670E+00
0.0000000000E+00 18.846054047E+00 1.4632821670E+00
0.0000000000E+00 0.0000000000E+00 0.0000000000E+00
0.0000000000E+00 20.0000000000E+00 0.0000000000E+00
acell 20.0 40.0 20.0
kptopt 1 kptrlatt 1 0 0 0 1 0 0 0 1
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