1 &control 2 calculation = 'scf' 3 tstress=.true. 4 / 5 &system 6 ibrav= 2, celldm(1) =10.20, nat= 2, ntyp= 1, 7 ecutwfc =12.0, nbnd = 8, 8 input_dft='gaup', nqx1=4, nqx2=4, nqx3=4, 9 exxdiv_treatment='none' 10 x_gamma_extrapolation = .false. 11!force_symmorphic=.true., 12!nr1=16,nr2=16,nr3=16,nr1s=16,nr2s=16,nr3s=16 13 / 14 &electrons 15 / 16ATOMIC_SPECIES 17 Si 28.086 Si.pz-vbc.UPF 18ATOMIC_POSITIONS (alat) 19 Si 0.00 0.00 0.00 20 Si 0.25 0.25 0.25 21K_POINTS automatic 22 4 4 4 1 1 1 23