&CONTROL calculation = "vc-relax" / &SYSTEM ibrav = 14, A = 3.70971016 , B = 3.70971016 , C = 3.70971016 , cosAB = 0.49517470 , cosAC = 0.49517470 , cosBC = 0.49517470 , nat = 2 , ntyp = 1 , ecutwfc = 25.0 , nbnd = 9 , occupations = 'smearing' , smearing = 'mp' , degauss = 0.005 / &ELECTRONS conv_thr = 1.0d-7 / &IONS ion_dynamics='bfgs' / &CELL cell_dynamics='bfgs' press = 0.0 / 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