&control calculation = 'scf' tstress=.true. / &system ibrav=2, celldm(1) =6.74632, nat=2, ntyp=1, ecutwfc=120.0 / &electrons / ATOMIC_SPECIES C 12.000 C.pz-vbc.UPF ATOMIC_POSITIONS C 0.00 0.00 0.00 C 0.25 0.25 0.25 K_POINTS automatic 8 8 8 1 1 1