&CONTROL tprnfor = .true. / &SYSTEM ibrav = 1 a = 20 nat = 13 ntyp = 1 ecutwfc = 40 ecutrho = 320 occupations = 'smearing' degauss = 0.005 smearing = 'cold' / &ELECTRONS conv_thr = 1e-6 mixing_mode = 'local-TF' mixing_beta = 0.7 / ATOMIC_SPECIES Pt 195.084 pt_pbe_v1.4.uspp.F.UPF K_POINTS gamma ATOMIC_POSITIONS angstrom Pt 9.0400000000 9.0400000000 11.0000000000 Pt 9.0400000000 11.0000000000 9.0400000000 Pt 9.0400000000 11.0000000000 12.9600000000 Pt 9.0400000000 12.9600000000 11.0000000000 Pt 11.0000000000 9.0400000000 9.0400000000 Pt 11.0000000000 9.0400000000 12.9600000000 Pt 12.9600000000 9.0400000000 11.0000000000 Pt 11.0000000000 12.9600000000 9.0400000000 Pt 12.9600000000 11.0000000000 9.0400000000 Pt 11.0000000000 11.0000000000 11.0000000000 Pt 11.0000000000 12.9600000000 12.9600000000 Pt 12.9600000000 11.0000000000 12.9600000000 Pt 12.9600000000 12.9600000000 11.0000000000