&CONTROL calculation = "scf", prefix = "ZNO", pseudo_dir = "/home/pietro/espresso-svn/pseudo", outdir = "/home/pietro/espresso-svn/tempdir", / &SYSTEM ibrav=0, celldm(1) =6.330582528, nat=4, ntyp= 2, occupations='smearing', smearing='marzari-vanderbilt', degauss=0.02, ecutwfc =80.0, !better 140 / &ELECTRONS mixing_mode='plain' mixing_beta = 0.5, startingwfc='random', conv_thr = 1.0d-8 / CELL_PARAMETERS alat 1.55820896 0.00000000 0.00000000 0.00000000 0.86602540 -0.50000000 0.00000000 0.00000000 1.00000000 ATOMIC_SPECIES Zn 65.409 Zn.pbe-d-hgh.UPF O 15.999 O.pbe-hgh.UPF ATOMIC_POSITIONS (alat) Zn 2.010975287 0.487933254 -0.051360548 Zn 1.234717421 0.199473387 0.448322227 O 1.051679030 0.488287222 -0.051814333 O 1.830251369 0.199830262 0.448810714 K_POINTS (automatic) 2 2 2 0 0 0