! Pwscf input file created with ciftopw.py ! Compound: AlInI4 &control calculation = 'bands' prefix = 'AlInI4' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 22.3403406419579973 celldm(2) = 0.6035357807477585 celldm(3) = 0.9374894264929794 celldm(4) = 0.1100812622247819 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 24 ntyp = 3 ecutwfc = 41.00000000 ecutrho = 217.00000000 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 In 114.8180 In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF Al 26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 155 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.03333333 1.0 0.00000000 0.00000000 0.06666667 1.0 0.00000000 0.00000000 0.10000000 1.0 0.00000000 0.00000000 0.13333333 1.0 0.00000000 0.00000000 0.16666667 1.0 0.00000000 0.00000000 0.20000000 1.0 0.00000000 0.00000000 0.23333333 1.0 0.00000000 0.00000000 0.26666667 1.0 0.00000000 0.00000000 0.30000000 1.0 0.00000000 0.00000000 0.33333333 1.0 0.00000000 0.00000000 0.36666667 1.0 0.00000000 0.00000000 0.40000000 1.0 0.00000000 0.00000000 0.43333333 1.0 0.00000000 0.00000000 0.46666667 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.02239355 0.50382913 1.0 0.00000000 0.04478711 0.50765825 1.0 0.00000000 0.06718066 0.51148738 1.0 0.00000000 0.08957421 0.51531651 1.0 0.00000000 0.11196777 0.51914563 1.0 0.00000000 0.13436132 0.52297476 1.0 0.00000000 0.15675487 0.52680389 1.0 0.00000000 0.17914843 0.53063302 1.0 0.00000000 0.20154198 0.53446214 1.0 0.00000000 0.22393553 0.53829127 1.0 0.00000000 0.24632909 0.54212040 1.0 0.00000000 0.26872264 0.54594952 1.0 0.00000000 0.29111620 0.54977865 1.0 0.00000000 0.31350975 0.55360778 1.0 0.00000000 0.33590330 0.55743690 1.0 0.00000000 0.35829686 0.56126603 1.0 0.00000000 0.38069041 0.56509516 1.0 0.00000000 0.40308396 0.56892429 1.0 0.00000000 0.42547752 0.57275341 1.0 0.00000000 0.44787107 0.57658254 1.0 0.00000000 0.47026462 0.58041167 1.0 0.00000000 0.47026462 0.58041167 1.0 0.00000000 0.48017642 0.55360778 1.0 0.00000000 0.49008821 0.52680389 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.03571429 0.50000000 0.50000000 1.0 0.07142857 0.50000000 0.50000000 1.0 0.10714286 0.50000000 0.50000000 1.0 0.14285714 0.50000000 0.50000000 1.0 0.17857143 0.50000000 0.50000000 1.0 0.21428571 0.50000000 0.50000000 1.0 0.25000000 0.50000000 0.50000000 1.0 0.28571429 0.50000000 0.50000000 1.0 0.32142857 0.50000000 0.50000000 1.0 0.35714286 0.50000000 0.50000000 1.0 0.39285714 0.50000000 0.50000000 1.0 0.42857143 0.50000000 0.50000000 1.0 0.46428571 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50991179 0.47319611 1.0 0.50000000 0.51982358 0.44639222 1.0 0.50000000 0.52973538 0.41958833 1.0 0.50000000 0.52973538 0.41958833 1.0 0.50000000 0.52725743 0.38462264 1.0 0.50000000 0.52477948 0.34965694 1.0 0.50000000 0.52230153 0.31469125 1.0 0.50000000 0.51982358 0.27972556 1.0 0.50000000 0.51734564 0.24475986 1.0 0.50000000 0.51486769 0.20979417 1.0 0.50000000 0.51238974 0.17482847 1.0 0.50000000 0.50991179 0.13986278 1.0 0.50000000 0.50743384 0.10489708 1.0 0.50000000 0.50495590 0.06993139 1.0 0.50000000 0.50247795 0.03496569 1.0 0.50000000 0.50000000 -0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.46428571 0.50000000 0.00000000 1.0 0.42857143 0.50000000 0.00000000 1.0 0.39285714 0.50000000 0.00000000 1.0 0.35714286 0.50000000 0.00000000 1.0 0.32142857 0.50000000 0.00000000 1.0 0.28571429 0.50000000 0.00000000 1.0 0.25000000 0.50000000 0.00000000 1.0 0.21428571 0.50000000 0.00000000 1.0 0.17857143 0.50000000 0.00000000 1.0 0.14285714 0.50000000 0.00000000 1.0 0.10714286 0.50000000 0.00000000 1.0 0.07142857 0.50000000 0.00000000 1.0 0.03571429 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50247795 0.03496569 1.0 0.00000000 0.50495590 0.06993139 1.0 0.00000000 0.50743384 0.10489708 1.0 0.00000000 0.50991179 0.13986278 1.0 0.00000000 0.51238974 0.17482847 1.0 0.00000000 0.51486769 0.20979417 1.0 0.00000000 0.51734564 0.24475986 1.0 0.00000000 0.51982358 0.27972556 1.0 0.00000000 0.52230153 0.31469125 1.0 0.00000000 0.52477948 0.34965694 1.0 0.00000000 0.52725743 0.38462264 1.0 0.00000000 0.52973538 0.41958833 1.0 0.50000000 0.47026462 0.58041167 1.0 0.50000000 0.44787107 0.57658254 1.0 0.50000000 0.42547752 0.57275341 1.0 0.50000000 0.40308396 0.56892429 1.0 0.50000000 0.38069041 0.56509516 1.0 0.50000000 0.35829686 0.56126603 1.0 0.50000000 0.33590330 0.55743690 1.0 0.50000000 0.31350975 0.55360778 1.0 0.50000000 0.29111620 0.54977865 1.0 0.50000000 0.26872264 0.54594952 1.0 0.50000000 0.24632909 0.54212040 1.0 0.50000000 0.22393553 0.53829127 1.0 0.50000000 0.20154198 0.53446214 1.0 0.50000000 0.17914843 0.53063302 1.0 0.50000000 0.15675487 0.52680389 1.0 0.50000000 0.13436132 0.52297476 1.0 0.50000000 0.11196777 0.51914563 1.0 0.50000000 0.08957421 0.51531651 1.0 0.50000000 0.06718066 0.51148738 1.0 0.50000000 0.04478711 0.50765825 1.0 0.50000000 0.02239355 0.50382913 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.46666667 1.0 0.50000000 0.00000000 0.43333333 1.0 0.50000000 0.00000000 0.40000000 1.0 0.50000000 0.00000000 0.36666667 1.0 0.50000000 0.00000000 0.33333333 1.0 0.50000000 0.00000000 0.30000000 1.0 0.50000000 0.00000000 0.26666667 1.0 0.50000000 0.00000000 0.23333333 1.0 0.50000000 0.00000000 0.20000000 1.0 0.50000000 0.00000000 0.16666667 1.0 0.50000000 0.00000000 0.13333333 1.0 0.50000000 0.00000000 0.10000000 1.0 0.50000000 0.00000000 0.06666667 1.0 0.50000000 0.00000000 0.03333333 1.0 0.50000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.03571429 0.00000000 0.50000000 1.0 0.07142857 0.00000000 0.50000000 1.0 0.10714286 0.00000000 0.50000000 1.0 0.14285714 0.00000000 0.50000000 1.0 0.17857143 0.00000000 0.50000000 1.0 0.21428571 0.00000000 0.50000000 1.0 0.25000000 0.00000000 0.50000000 1.0 0.28571429 0.00000000 0.50000000 1.0 0.32142857 0.00000000 0.50000000 1.0 0.35714286 0.00000000 0.50000000 1.0 0.39285714 0.00000000 0.50000000 1.0 0.42857143 0.00000000 0.50000000 1.0 0.46428571 0.00000000 0.50000000 1.0 0.50000000 0.00000000 0.50000000 1.0