&CONTROL calculation = 'scf' , restart_mode = 'from_scratch' , wf_collect = .true. , outdir = '.' , pseudo_dir = '.' , prefix = 'Pt' , etot_conv_thr = 1.0E-6 , forc_conv_thr = 1.0E-5 , nstep = 100 , tstress = .true. , tprnfor = .true. , &end &SYSTEM ibrav = 0, celldm(1) = 7.5513272, nat = 2, ntyp = 2, ecutwfc = 42.0 , ecutrho = 334.0 , nbnd = 30, occupations = 'smearing' , degauss = 0.02 , smearing = 'methfessel-paxton' , starting_magnetization(1) = 0.1, starting_magnetization(2) = 0.4, noncolin = .true. , angle1(1) = 0, angle1(2) = 0, angle2(1) = 0, angle2(2) = 0, lspinorb = .true. , constrained_magnetization = 'total direction' , fixed_magnetization(1) = 0.0, fixed_magnetization(2) = 0.0, fixed_magnetization(3) = 1.0, &end &ELECTRONS conv_thr = 1.0d-6 , mixing_mode = 'local-TF' , mixing_beta = 0.2 , &end CELL_PARAMETERS cubic 0.707106781 0.000000000 0.000000000 0.000000000 0.707106781 0.000000000 0.000000000 0.000000000 1.000000000 ATOMIC_SPECIES Pt 196.96657 Pt.rel-pbe-rrkjus.UPF Fe 55.84500 Fe.rel-pbe-rrkjus.UPF ATOMIC_POSITIONS Pt 0.000000000 0.000000000 0.000000000 Fe 0.500000000 0.500000000 0.500000000 K_POINTS automatic 24 24 24 0 0 0