! Pwscf input file created with ciftopw.py ! Compound: VSn2 &control calculation = 'scf' prefix = 'VSn2' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 19.7853280675680132 celldm(2) = 0.9291432708157783 celldm(3) = 0.5233719116522569 celldm(4) = 0.1410949062789249 celldm(5) = 0.3922745289368111 celldm(6) = 0.8552981599921817 nat = 12 ntyp = 2 ecutwfc = 48.00000000 ecutrho = 646.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-08 mixing_beta = 7.00000000e-01 / ATOMIC_SPECIES Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF V 50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS automatic 5 5 5 0 0 0