&CONTROL calculation = "vc-relax" , dt = 150 / &SYSTEM ibrav = 0 , A = 3.70971016 , nat = 2 , ntyp = 1 , ecutwfc = 25.0 , nbnd = 9 , occupations = 'smearing' , smearing = 'mp' , degauss = 0.005 / &ELECTRONS conv_thr = 1.0d-7 / &IONS / &CELL cell_dynamics = 'damp-w' , press = 500.00 , wmass = 0.00700000 / CELL_PARAMETERS cubic 0.58012956 0.00000000 0.81452422 -0.29006459 0.50240689 0.81452422 -0.29006459 -0.50240689 0.81452422 ATOMIC_SPECIES As 74.90000 As.pz-bhs.UPF ATOMIC_POSITIONS crystal As 0.290010 0.290010 0.290010 As -0.290010 -0.290010 -0.290010 K_POINTS automatic 4 4 4 1 1 1