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&control
calculation='scf'
restart_mode='from_scratch',
prefix='si'
pseudo_dir='./'
/
&system
ibrav= 8, celldm(1)= 10.26,celldm(2)= 1, celldm(3)=1,
nat= 8, ntyp= 1,
ecutwfc = 15.0
/
&electrons
diagonalization='david',
conv_thr = 1.0d-10,
mixing_beta = 0.5,
startingwfc='random',
/
ATOMIC_SPECIES
Si 1. Si.pz-vbc.UPF
ATOMIC_POSITIONS (crystal)
Si 0.00000 0.00000 0.00000
Si 0.50000 0.50000 0.00000
Si 0.00000 0.50000 0.50000
Si 0.50000 0.00000 0.50000
Si 0.25000 0.25000 0.25000
Si 0.75000 0.75000 0.25000
Si 0.75000 0.25000 0.75000
Si 0.25000 0.75000 0.75000
K_POINTS (automatic)
4 4 4 1 1 1
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