! Pwscf input file created with ciftopw.py ! Compound: SnPd &control calculation = 'bands' prefix = 'SnPd' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 7.3132395774300001 celldm(2) = 1.5839793281653745 celldm(3) = 1.6330749354005167 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 8 ntyp = 2 ecutwfc = 59.00000000 ecutrho = 545.00000000 occupations = 'smearing' smearing = 'f-d' degauss = 1.00000000e-03 noncolin = .true. lspinorb = .true. / &electrons conv_thr = 1.00000000e-05 mixing_beta = 3.00000000e-01 / ATOMIC_SPECIES Sn 118.7100 Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF Pd 106.4200 Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 380 0.00000000 0.00000000 0.00000000 1.0 0.01219512 0.00000000 0.00000000 1.0 0.02439024 0.00000000 0.00000000 1.0 0.03658537 0.00000000 0.00000000 1.0 0.04878049 0.00000000 0.00000000 1.0 0.06097561 0.00000000 0.00000000 1.0 0.07317073 0.00000000 0.00000000 1.0 0.08536585 0.00000000 0.00000000 1.0 0.09756098 0.00000000 0.00000000 1.0 0.10975610 0.00000000 0.00000000 1.0 0.12195122 0.00000000 0.00000000 1.0 0.13414634 0.00000000 0.00000000 1.0 0.14634146 0.00000000 0.00000000 1.0 0.15853659 0.00000000 0.00000000 1.0 0.17073171 0.00000000 0.00000000 1.0 0.18292683 -0.00000000 0.00000000 1.0 0.19512195 0.00000000 0.00000000 1.0 0.20731707 0.00000000 0.00000000 1.0 0.21951220 0.00000000 0.00000000 1.0 0.23170732 0.00000000 0.00000000 1.0 0.24390244 0.00000000 0.00000000 1.0 0.25609756 0.00000000 0.00000000 1.0 0.26829268 0.00000000 0.00000000 1.0 0.28048780 0.00000000 0.00000000 1.0 0.29268293 0.00000000 0.00000000 1.0 0.30487805 0.00000000 0.00000000 1.0 0.31707317 0.00000000 0.00000000 1.0 0.32926829 0.00000000 0.00000000 1.0 0.34146341 0.00000000 0.00000000 1.0 0.35365854 0.00000000 0.00000000 1.0 0.36585366 -0.00000000 0.00000000 1.0 0.37804878 0.00000000 0.00000000 1.0 0.39024390 0.00000000 0.00000000 1.0 0.40243902 0.00000000 0.00000000 1.0 0.41463415 0.00000000 0.00000000 1.0 0.42682927 0.00000000 0.00000000 1.0 0.43902439 0.00000000 0.00000000 1.0 0.45121951 0.00000000 0.00000000 1.0 0.46341463 0.00000000 0.00000000 1.0 0.47560976 0.00000000 0.00000000 1.0 0.48780488 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.01923077 0.00000000 1.0 0.50000000 0.03846154 0.00000000 1.0 0.50000000 0.05769231 0.00000000 1.0 0.50000000 0.07692308 0.00000000 1.0 0.50000000 0.09615385 0.00000000 1.0 0.50000000 0.11538462 0.00000000 1.0 0.50000000 0.13461538 0.00000000 1.0 0.50000000 0.15384615 0.00000000 1.0 0.50000000 0.17307692 0.00000000 1.0 0.50000000 0.19230769 0.00000000 1.0 0.50000000 0.21153846 0.00000000 1.0 0.50000000 0.23076923 0.00000000 1.0 0.50000000 0.25000000 0.00000000 1.0 0.50000000 0.26923077 0.00000000 1.0 0.50000000 0.28846154 0.00000000 1.0 0.50000000 0.30769231 0.00000000 1.0 0.50000000 0.32692308 0.00000000 1.0 0.50000000 0.34615385 0.00000000 1.0 0.50000000 0.36538462 0.00000000 1.0 0.50000000 0.38461538 0.00000000 1.0 0.50000000 0.40384615 0.00000000 1.0 0.50000000 0.42307692 0.00000000 1.0 0.50000000 0.44230769 0.00000000 1.0 0.50000000 0.46153846 0.00000000 1.0 0.50000000 0.48076923 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48780488 0.50000000 0.00000000 1.0 0.47560976 0.50000000 0.00000000 1.0 0.46341463 0.50000000 0.00000000 1.0 0.45121951 0.50000000 0.00000000 1.0 0.43902439 0.50000000 0.00000000 1.0 0.42682927 0.50000000 0.00000000 1.0 0.41463415 0.50000000 0.00000000 1.0 0.40243902 0.50000000 0.00000000 1.0 0.39024390 0.50000000 0.00000000 1.0 0.37804878 0.50000000 0.00000000 1.0 0.36585366 0.50000000 0.00000000 1.0 0.35365854 0.50000000 0.00000000 1.0 0.34146341 0.50000000 0.00000000 1.0 0.32926829 0.50000000 0.00000000 1.0 0.31707317 0.50000000 0.00000000 1.0 0.30487805 0.50000000 0.00000000 1.0 0.29268293 0.50000000 0.00000000 1.0 0.28048780 0.50000000 0.00000000 1.0 0.26829268 0.50000000 0.00000000 1.0 0.25609756 0.50000000 0.00000000 1.0 0.24390244 0.50000000 0.00000000 1.0 0.23170732 0.50000000 0.00000000 1.0 0.21951220 0.50000000 0.00000000 1.0 0.20731707 0.50000000 0.00000000 1.0 0.19512195 0.50000000 0.00000000 1.0 0.18292683 0.50000000 0.00000000 1.0 0.17073171 0.50000000 0.00000000 1.0 0.15853659 0.50000000 0.00000000 1.0 0.14634146 0.50000000 0.00000000 1.0 0.13414634 0.50000000 0.00000000 1.0 0.12195122 0.50000000 0.00000000 1.0 0.10975610 0.50000000 0.00000000 1.0 0.09756098 0.50000000 0.00000000 1.0 0.08536585 0.50000000 0.00000000 1.0 0.07317073 0.50000000 0.00000000 1.0 0.06097561 0.50000000 0.00000000 1.0 0.04878049 0.50000000 0.00000000 1.0 0.03658537 0.50000000 0.00000000 1.0 0.02439024 0.50000000 0.00000000 1.0 0.01219512 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.48076923 0.00000000 1.0 0.00000000 0.46153846 0.00000000 1.0 0.00000000 0.44230769 0.00000000 1.0 0.00000000 0.42307692 0.00000000 1.0 0.00000000 0.40384615 0.00000000 1.0 0.00000000 0.38461538 0.00000000 1.0 0.00000000 0.36538462 0.00000000 1.0 0.00000000 0.34615385 0.00000000 1.0 0.00000000 0.32692308 0.00000000 1.0 0.00000000 0.30769231 0.00000000 1.0 0.00000000 0.28846154 0.00000000 1.0 0.00000000 0.26923077 0.00000000 1.0 0.00000000 0.25000000 0.00000000 1.0 0.00000000 0.23076923 0.00000000 1.0 0.00000000 0.21153846 0.00000000 1.0 0.00000000 0.19230769 0.00000000 1.0 0.00000000 0.17307692 0.00000000 1.0 0.00000000 0.15384615 0.00000000 1.0 0.00000000 0.13461538 0.00000000 1.0 0.00000000 0.11538462 0.00000000 1.0 0.00000000 0.09615385 0.00000000 1.0 0.00000000 0.07692308 0.00000000 1.0 0.00000000 0.05769231 0.00000000 1.0 0.00000000 0.03846154 0.00000000 1.0 0.00000000 0.01923077 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 -0.00000000 0.00000000 0.02000000 1.0 -0.00000000 0.00000000 0.04000000 1.0 0.00000000 0.00000000 0.06000000 1.0 -0.00000000 0.00000000 0.08000000 1.0 0.00000000 0.00000000 0.10000000 1.0 0.00000000 0.00000000 0.12000000 1.0 -0.00000000 0.00000000 0.14000000 1.0 -0.00000000 0.00000000 0.16000000 1.0 -0.00000000 0.00000000 0.18000000 1.0 0.00000000 0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.22000000 1.0 0.00000000 0.00000000 0.24000000 1.0 0.00000000 0.00000000 0.26000000 1.0 -0.00000000 0.00000000 0.28000000 1.0 0.00000000 0.00000000 0.30000000 1.0 -0.00000000 0.00000000 0.32000000 1.0 -0.00000000 0.00000000 0.34000000 1.0 -0.00000000 0.00000000 0.36000000 1.0 0.00000000 0.00000000 0.38000000 1.0 0.00000000 0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.42000000 1.0 0.00000000 0.00000000 0.44000000 1.0 0.00000000 0.00000000 0.46000000 1.0 0.00000000 0.00000000 0.48000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.01219512 0.00000000 0.50000000 1.0 0.02439024 0.00000000 0.50000000 1.0 0.03658537 0.00000000 0.50000000 1.0 0.04878049 0.00000000 0.50000000 1.0 0.06097561 0.00000000 0.50000000 1.0 0.07317073 0.00000000 0.50000000 1.0 0.08536585 0.00000000 0.50000000 1.0 0.09756098 0.00000000 0.50000000 1.0 0.10975610 0.00000000 0.50000000 1.0 0.12195122 0.00000000 0.50000000 1.0 0.13414634 0.00000000 0.50000000 1.0 0.14634146 0.00000000 0.50000000 1.0 0.15853659 0.00000000 0.50000000 1.0 0.17073171 -0.00000000 0.50000000 1.0 0.18292683 -0.00000000 0.50000000 1.0 0.19512195 0.00000000 0.50000000 1.0 0.20731707 0.00000000 0.50000000 1.0 0.21951220 -0.00000000 0.50000000 1.0 0.23170732 -0.00000000 0.50000000 1.0 0.24390244 -0.00000000 0.50000000 1.0 0.25609756 -0.00000000 0.50000000 1.0 0.26829268 -0.00000000 0.50000000 1.0 0.28048780 -0.00000000 0.50000000 1.0 0.29268293 -0.00000000 0.50000000 1.0 0.30487805 -0.00000000 0.50000000 1.0 0.31707317 0.00000000 0.50000000 1.0 0.32926829 0.00000000 0.50000000 1.0 0.34146341 0.00000000 0.50000000 1.0 0.35365854 0.00000000 0.50000000 1.0 0.36585366 -0.00000000 0.50000000 1.0 0.37804878 0.00000000 0.50000000 1.0 0.39024390 -0.00000000 0.50000000 1.0 0.40243902 0.00000000 0.50000000 1.0 0.41463415 -0.00000000 0.50000000 1.0 0.42682927 0.00000000 0.50000000 1.0 0.43902439 0.00000000 0.50000000 1.0 0.45121951 0.00000000 0.50000000 1.0 0.46341463 0.00000000 0.50000000 1.0 0.47560976 0.00000000 0.50000000 1.0 0.48780488 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.01923077 0.50000000 1.0 0.50000000 0.03846154 0.50000000 1.0 0.50000000 0.05769231 0.50000000 1.0 0.50000000 0.07692308 0.50000000 1.0 0.50000000 0.09615385 0.50000000 1.0 0.50000000 0.11538462 0.50000000 1.0 0.50000000 0.13461538 0.50000000 1.0 0.50000000 0.15384615 0.50000000 1.0 0.50000000 0.17307692 0.50000000 1.0 0.50000000 0.19230769 0.50000000 1.0 0.50000000 0.21153846 0.50000000 1.0 0.50000000 0.23076923 0.50000000 1.0 0.50000000 0.25000000 0.50000000 1.0 0.50000000 0.26923077 0.50000000 1.0 0.50000000 0.28846154 0.50000000 1.0 0.50000000 0.30769231 0.50000000 1.0 0.50000000 0.32692308 0.50000000 1.0 0.50000000 0.34615385 0.50000000 1.0 0.50000000 0.36538462 0.50000000 1.0 0.50000000 0.38461538 0.50000000 1.0 0.50000000 0.40384615 0.50000000 1.0 0.50000000 0.42307692 0.50000000 1.0 0.50000000 0.44230769 0.50000000 1.0 0.50000000 0.46153846 0.50000000 1.0 0.50000000 0.48076923 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48780488 0.50000000 0.50000000 1.0 0.47560976 0.50000000 0.50000000 1.0 0.46341463 0.50000000 0.50000000 1.0 0.45121951 0.50000000 0.50000000 1.0 0.43902439 0.50000000 0.50000000 1.0 0.42682927 0.50000000 0.50000000 1.0 0.41463415 0.50000000 0.50000000 1.0 0.40243902 0.50000000 0.50000000 1.0 0.39024390 0.50000000 0.50000000 1.0 0.37804878 0.50000000 0.50000000 1.0 0.36585366 0.50000000 0.50000000 1.0 0.35365854 0.50000000 0.50000000 1.0 0.34146341 0.50000000 0.50000000 1.0 0.32926829 0.50000000 0.50000000 1.0 0.31707317 0.50000000 0.50000000 1.0 0.30487805 0.50000000 0.50000000 1.0 0.29268293 0.50000000 0.50000000 1.0 0.28048780 0.50000000 0.50000000 1.0 0.26829268 0.50000000 0.50000000 1.0 0.25609756 0.50000000 0.50000000 1.0 0.24390244 0.50000000 0.50000000 1.0 0.23170732 0.50000000 0.50000000 1.0 0.21951220 0.50000000 0.50000000 1.0 0.20731707 0.50000000 0.50000000 1.0 0.19512195 0.50000000 0.50000000 1.0 0.18292683 0.50000000 0.50000000 1.0 0.17073171 0.50000000 0.50000000 1.0 0.15853659 0.50000000 0.50000000 1.0 0.14634146 0.50000000 0.50000000 1.0 0.13414634 0.50000000 0.50000000 1.0 0.12195122 0.50000000 0.50000000 1.0 0.10975610 0.50000000 0.50000000 1.0 0.09756098 0.50000000 0.50000000 1.0 0.08536585 0.50000000 0.50000000 1.0 0.07317073 0.50000000 0.50000000 1.0 0.06097561 0.50000000 0.50000000 1.0 0.04878049 0.50000000 0.50000000 1.0 0.03658537 0.50000000 0.50000000 1.0 0.02439024 0.50000000 0.50000000 1.0 0.01219512 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.48076923 0.50000000 1.0 0.00000000 0.46153846 0.50000000 1.0 0.00000000 0.44230769 0.50000000 1.0 0.00000000 0.42307692 0.50000000 1.0 0.00000000 0.40384615 0.50000000 1.0 0.00000000 0.38461538 0.50000000 1.0 0.00000000 0.36538462 0.50000000 1.0 0.00000000 0.34615385 0.50000000 1.0 0.00000000 0.32692308 0.50000000 1.0 0.00000000 0.30769231 0.50000000 1.0 0.00000000 0.28846154 0.50000000 1.0 0.00000000 0.26923077 0.50000000 1.0 0.00000000 0.25000000 0.50000000 1.0 0.00000000 0.23076923 0.50000000 1.0 0.00000000 0.21153846 0.50000000 1.0 0.00000000 0.19230769 0.50000000 1.0 0.00000000 0.17307692 0.50000000 1.0 0.00000000 0.15384615 0.50000000 1.0 0.00000000 0.13461538 0.50000000 1.0 0.00000000 0.11538462 0.50000000 1.0 0.00000000 0.09615385 0.50000000 1.0 0.00000000 0.07692308 0.50000000 1.0 0.00000000 0.05769231 0.50000000 1.0 0.00000000 0.03846154 0.50000000 1.0 0.00000000 0.01923077 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.50000000 0.00000000 1.0 -0.00000000 0.50000000 0.02000000 1.0 -0.00000000 0.50000000 0.04000000 1.0 0.00000000 0.50000000 0.06000000 1.0 -0.00000000 0.50000000 0.08000000 1.0 0.00000000 0.50000000 0.10000000 1.0 0.00000000 0.50000000 0.12000000 1.0 -0.00000000 0.50000000 0.14000000 1.0 -0.00000000 0.50000000 0.16000000 1.0 -0.00000000 0.50000000 0.18000000 1.0 0.00000000 0.50000000 0.20000000 1.0 0.00000000 0.50000000 0.22000000 1.0 0.00000000 0.50000000 0.24000000 1.0 0.00000000 0.50000000 0.26000000 1.0 -0.00000000 0.50000000 0.28000000 1.0 0.00000000 0.50000000 0.30000000 1.0 -0.00000000 0.50000000 0.32000000 1.0 -0.00000000 0.50000000 0.34000000 1.0 -0.00000000 0.50000000 0.36000000 1.0 0.00000000 0.50000000 0.38000000 1.0 0.00000000 0.50000000 0.40000000 1.0 0.00000000 0.50000000 0.42000000 1.0 0.00000000 0.50000000 0.44000000 1.0 0.00000000 0.50000000 0.46000000 1.0 0.00000000 0.50000000 0.48000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.48000000 1.0 0.50000000 0.00000000 0.46000000 1.0 0.50000000 0.00000000 0.44000000 1.0 0.50000000 0.00000000 0.42000000 1.0 0.50000000 0.00000000 0.40000000 1.0 0.50000000 -0.00000000 0.38000000 1.0 0.50000000 0.00000000 0.36000000 1.0 0.50000000 0.00000000 0.34000000 1.0 0.50000000 0.00000000 0.32000000 1.0 0.50000000 0.00000000 0.30000000 1.0 0.50000000 0.00000000 0.28000000 1.0 0.50000000 0.00000000 0.26000000 1.0 0.50000000 0.00000000 0.24000000 1.0 0.50000000 0.00000000 0.22000000 1.0 0.50000000 0.00000000 0.20000000 1.0 0.50000000 0.00000000 0.18000000 1.0 0.50000000 0.00000000 0.16000000 1.0 0.50000000 0.00000000 0.14000000 1.0 0.50000000 0.00000000 0.12000000 1.0 0.50000000 0.00000000 0.10000000 1.0 0.50000000 0.00000000 0.08000000 1.0 0.50000000 0.00000000 0.06000000 1.0 0.50000000 0.00000000 0.04000000 1.0 0.50000000 0.00000000 0.02000000 1.0 0.50000000 0.00000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.02000000 1.0 0.50000000 0.50000000 0.04000000 1.0 0.50000000 0.50000000 0.06000000 1.0 0.50000000 0.50000000 0.08000000 1.0 0.50000000 0.50000000 0.10000000 1.0 0.50000000 0.50000000 0.12000000 1.0 0.50000000 0.50000000 0.14000000 1.0 0.50000000 0.50000000 0.16000000 1.0 0.50000000 0.50000000 0.18000000 1.0 0.50000000 0.50000000 0.20000000 1.0 0.50000000 0.50000000 0.22000000 1.0 0.50000000 0.50000000 0.24000000 1.0 0.50000000 0.50000000 0.26000000 1.0 0.50000000 0.50000000 0.28000000 1.0 0.50000000 0.50000000 0.30000000 1.0 0.50000000 0.50000000 0.32000000 1.0 0.50000000 0.50000000 0.34000000 1.0 0.50000000 0.50000000 0.36000000 1.0 0.50000000 0.50000000 0.38000000 1.0 0.50000000 0.50000000 0.40000000 1.0 0.50000000 0.50000000 0.42000000 1.0 0.50000000 0.50000000 0.44000000 1.0 0.50000000 0.50000000 0.46000000 1.0 0.50000000 0.50000000 0.48000000 1.0 0.50000000 0.50000000 0.50000000 1.0