mirror of https://gitlab.com/QEF/q-e.git
25 lines
393 B
Plaintext
25 lines
393 B
Plaintext
&control
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calculation = 'bands'
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disk_io='none'
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/
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&system
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ibrav=2, celldm(1) =10.20,
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nat=2, ntyp=1,
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ecutwfc=12.0
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nbnd=8
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/
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&electrons
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/
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ATOMIC_SPECIES
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Si 28.086 Si.pz-vbc.UPF
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ATOMIC_POSITIONS alat
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Si 0.00 0.00 0.00
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Si 0.25 0.25 0.25
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K_POINTS tpiba_b
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5
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0.00 0.00 0.00 5
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1.00 0.00 0.00 5
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1.00 0.25 0.25 5
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0.50 0.50 0.50 5
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0.00 0.00 0.00 1
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