! Pwscf input file created with ciftopw.py ! Compound: RbMnBi &control calculation = 'bands' prefix = 'RbMnBi' restart_mode = 'from_scratch' outdir = './' wf_collect = .true. verbosity = 'high' / &system ibrav = 14 celldm(1) = 9.1084792669799999 celldm(2) = 1.0000000000000000 celldm(3) = 1.8010373443983398 celldm(4) = 0.0000000000000001 celldm(5) = 0.0000000000000001 celldm(6) = 0.0000000000000001 nat = 6 ntyp = 3 ecutwfc = 80.00000000 ecutrho = 457.00000000 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 Mn 54.9380 Mn.rel-pbe-oncvpsp.UPF Bi 208.9804 Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF Rb 85.4678 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF ATOMIC_POSITIONS crystal K_POINTS crystal 292 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.01515152 0.00000000 1.0 0.00000000 0.03030303 0.00000000 1.0 0.00000000 0.04545455 0.00000000 1.0 0.00000000 0.06060606 0.00000000 1.0 0.00000000 0.07575758 0.00000000 1.0 0.00000000 0.09090909 0.00000000 1.0 0.00000000 0.10606061 0.00000000 1.0 0.00000000 0.12121212 0.00000000 1.0 0.00000000 0.13636364 0.00000000 1.0 0.00000000 0.15151515 0.00000000 1.0 0.00000000 0.16666667 0.00000000 1.0 0.00000000 0.18181818 0.00000000 1.0 0.00000000 0.19696970 0.00000000 1.0 0.00000000 0.21212121 0.00000000 1.0 0.00000000 0.22727273 0.00000000 1.0 0.00000000 0.24242424 0.00000000 1.0 0.00000000 0.25757576 0.00000000 1.0 0.00000000 0.27272727 0.00000000 1.0 0.00000000 0.28787879 0.00000000 1.0 0.00000000 0.30303030 0.00000000 1.0 0.00000000 0.31818182 0.00000000 1.0 0.00000000 0.33333333 0.00000000 1.0 0.00000000 0.34848485 0.00000000 1.0 0.00000000 0.36363636 0.00000000 1.0 0.00000000 0.37878788 0.00000000 1.0 0.00000000 0.39393939 0.00000000 1.0 0.00000000 0.40909091 0.00000000 1.0 0.00000000 0.42424242 0.00000000 1.0 0.00000000 0.43939394 0.00000000 1.0 0.00000000 0.45454545 0.00000000 1.0 0.00000000 0.46969697 0.00000000 1.0 0.00000000 0.48484848 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.01515152 0.50000000 0.00000000 1.0 0.03030303 0.50000000 0.00000000 1.0 0.04545455 0.50000000 0.00000000 1.0 0.06060606 0.50000000 0.00000000 1.0 0.07575758 0.50000000 0.00000000 1.0 0.09090909 0.50000000 0.00000000 1.0 0.10606061 0.50000000 0.00000000 1.0 0.12121212 0.50000000 0.00000000 1.0 0.13636364 0.50000000 0.00000000 1.0 0.15151515 0.50000000 0.00000000 1.0 0.16666667 0.50000000 0.00000000 1.0 0.18181818 0.50000000 0.00000000 1.0 0.19696970 0.50000000 0.00000000 1.0 0.21212121 0.50000000 0.00000000 1.0 0.22727273 0.50000000 0.00000000 1.0 0.24242424 0.50000000 0.00000000 1.0 0.25757576 0.50000000 0.00000000 1.0 0.27272727 0.50000000 0.00000000 1.0 0.28787879 0.50000000 0.00000000 1.0 0.30303030 0.50000000 0.00000000 1.0 0.31818182 0.50000000 0.00000000 1.0 0.33333333 0.50000000 0.00000000 1.0 0.34848485 0.50000000 0.00000000 1.0 0.36363636 0.50000000 0.00000000 1.0 0.37878788 0.50000000 0.00000000 1.0 0.39393939 0.50000000 0.00000000 1.0 0.40909091 0.50000000 0.00000000 1.0 0.42424242 0.50000000 0.00000000 1.0 0.43939394 0.50000000 0.00000000 1.0 0.45454545 0.50000000 0.00000000 1.0 0.46969697 0.50000000 0.00000000 1.0 0.48484848 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.48936170 0.48936170 0.00000000 1.0 0.47872340 0.47872340 0.00000000 1.0 0.46808511 0.46808511 0.00000000 1.0 0.45744681 0.45744681 0.00000000 1.0 0.44680851 0.44680851 0.00000000 1.0 0.43617021 0.43617021 0.00000000 1.0 0.42553191 0.42553191 0.00000000 1.0 0.41489362 0.41489362 0.00000000 1.0 0.40425532 0.40425532 0.00000000 1.0 0.39361702 0.39361702 0.00000000 1.0 0.38297872 0.38297872 0.00000000 1.0 0.37234043 0.37234043 0.00000000 1.0 0.36170213 0.36170213 0.00000000 1.0 0.35106383 0.35106383 0.00000000 1.0 0.34042553 0.34042553 0.00000000 1.0 0.32978723 0.32978723 0.00000000 1.0 0.31914894 0.31914894 0.00000000 1.0 0.30851064 0.30851064 0.00000000 1.0 0.29787234 0.29787234 0.00000000 1.0 0.28723404 0.28723404 0.00000000 1.0 0.27659574 0.27659574 0.00000000 1.0 0.26595745 0.26595745 0.00000000 1.0 0.25531915 0.25531915 0.00000000 1.0 0.24468085 0.24468085 0.00000000 1.0 0.23404255 0.23404255 0.00000000 1.0 0.22340426 0.22340426 0.00000000 1.0 0.21276596 0.21276596 0.00000000 1.0 0.20212766 0.20212766 0.00000000 1.0 0.19148936 0.19148936 0.00000000 1.0 0.18085106 0.18085106 0.00000000 1.0 0.17021277 0.17021277 0.00000000 1.0 0.15957447 0.15957447 0.00000000 1.0 0.14893617 0.14893617 0.00000000 1.0 0.13829787 0.13829787 0.00000000 1.0 0.12765957 0.12765957 0.00000000 1.0 0.11702128 0.11702128 0.00000000 1.0 0.10638298 0.10638298 0.00000000 1.0 0.09574468 0.09574468 0.00000000 1.0 0.08510638 0.08510638 0.00000000 1.0 0.07446809 0.07446809 0.00000000 1.0 0.06382979 0.06382979 0.00000000 1.0 0.05319149 0.05319149 0.00000000 1.0 0.04255319 0.04255319 0.00000000 1.0 0.03191489 0.03191489 0.00000000 1.0 0.02127660 0.02127660 0.00000000 1.0 0.01063830 0.01063830 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 0.00000000 0.00000000 1.0 0.00000000 -0.00000000 0.02631579 1.0 0.00000000 -0.00000000 0.05263158 1.0 0.00000000 0.00000000 0.07894737 1.0 0.00000000 -0.00000000 0.10526316 1.0 0.00000000 0.00000000 0.13157895 1.0 0.00000000 0.00000000 0.15789474 1.0 -0.00000000 -0.00000000 0.18421053 1.0 0.00000000 -0.00000000 0.21052632 1.0 0.00000000 0.00000000 0.23684211 1.0 0.00000000 0.00000000 0.26315789 1.0 0.00000000 0.00000000 0.28947368 1.0 0.00000000 0.00000000 0.31578947 1.0 -0.00000000 -0.00000000 0.34210526 1.0 -0.00000000 -0.00000000 0.36842105 1.0 0.00000000 0.00000000 0.39473684 1.0 0.00000000 -0.00000000 0.42105263 1.0 0.00000000 0.00000000 0.44736842 1.0 0.00000000 0.00000000 0.47368421 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.01515152 0.50000000 1.0 0.00000000 0.03030303 0.50000000 1.0 0.00000000 0.04545455 0.50000000 1.0 0.00000000 0.06060606 0.50000000 1.0 0.00000000 0.07575758 0.50000000 1.0 0.00000000 0.09090909 0.50000000 1.0 0.00000000 0.10606061 0.50000000 1.0 0.00000000 0.12121212 0.50000000 1.0 0.00000000 0.13636364 0.50000000 1.0 0.00000000 0.15151515 0.50000000 1.0 0.00000000 0.16666667 0.50000000 1.0 0.00000000 0.18181818 0.50000000 1.0 0.00000000 0.19696970 0.50000000 1.0 0.00000000 0.21212121 0.50000000 1.0 0.00000000 0.22727273 0.50000000 1.0 0.00000000 0.24242424 0.50000000 1.0 0.00000000 0.25757576 0.50000000 1.0 0.00000000 0.27272727 0.50000000 1.0 0.00000000 0.28787879 0.50000000 1.0 0.00000000 0.30303030 0.50000000 1.0 0.00000000 0.31818182 0.50000000 1.0 0.00000000 0.33333333 0.50000000 1.0 0.00000000 0.34848485 0.50000000 1.0 0.00000000 0.36363636 0.50000000 1.0 0.00000000 0.37878788 0.50000000 1.0 0.00000000 0.39393939 0.50000000 1.0 0.00000000 0.40909091 0.50000000 1.0 0.00000000 0.42424242 0.50000000 1.0 0.00000000 0.43939394 0.50000000 1.0 0.00000000 0.45454545 0.50000000 1.0 0.00000000 0.46969697 0.50000000 1.0 0.00000000 0.48484848 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.00000000 0.50000000 0.50000000 1.0 0.01515152 0.50000000 0.50000000 1.0 0.03030303 0.50000000 0.50000000 1.0 0.04545455 0.50000000 0.50000000 1.0 0.06060606 0.50000000 0.50000000 1.0 0.07575758 0.50000000 0.50000000 1.0 0.09090909 0.50000000 0.50000000 1.0 0.10606061 0.50000000 0.50000000 1.0 0.12121212 0.50000000 0.50000000 1.0 0.13636364 0.50000000 0.50000000 1.0 0.15151515 0.50000000 0.50000000 1.0 0.16666667 0.50000000 0.50000000 1.0 0.18181818 0.50000000 0.50000000 1.0 0.19696970 0.50000000 0.50000000 1.0 0.21212121 0.50000000 0.50000000 1.0 0.22727273 0.50000000 0.50000000 1.0 0.24242424 0.50000000 0.50000000 1.0 0.25757576 0.50000000 0.50000000 1.0 0.27272727 0.50000000 0.50000000 1.0 0.28787879 0.50000000 0.50000000 1.0 0.30303030 0.50000000 0.50000000 1.0 0.31818182 0.50000000 0.50000000 1.0 0.33333333 0.50000000 0.50000000 1.0 0.34848485 0.50000000 0.50000000 1.0 0.36363636 0.50000000 0.50000000 1.0 0.37878788 0.50000000 0.50000000 1.0 0.39393939 0.50000000 0.50000000 1.0 0.40909091 0.50000000 0.50000000 1.0 0.42424242 0.50000000 0.50000000 1.0 0.43939394 0.50000000 0.50000000 1.0 0.45454545 0.50000000 0.50000000 1.0 0.46969697 0.50000000 0.50000000 1.0 0.48484848 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.50000000 1.0 0.48936170 0.48936170 0.50000000 1.0 0.47872340 0.47872340 0.50000000 1.0 0.46808511 0.46808511 0.50000000 1.0 0.45744681 0.45744681 0.50000000 1.0 0.44680851 0.44680851 0.50000000 1.0 0.43617021 0.43617021 0.50000000 1.0 0.42553191 0.42553191 0.50000000 1.0 0.41489362 0.41489362 0.50000000 1.0 0.40425532 0.40425532 0.50000000 1.0 0.39361702 0.39361702 0.50000000 1.0 0.38297872 0.38297872 0.50000000 1.0 0.37234043 0.37234043 0.50000000 1.0 0.36170213 0.36170213 0.50000000 1.0 0.35106383 0.35106383 0.50000000 1.0 0.34042553 0.34042553 0.50000000 1.0 0.32978723 0.32978723 0.50000000 1.0 0.31914894 0.31914894 0.50000000 1.0 0.30851064 0.30851064 0.50000000 1.0 0.29787234 0.29787234 0.50000000 1.0 0.28723404 0.28723404 0.50000000 1.0 0.27659574 0.27659574 0.50000000 1.0 0.26595745 0.26595745 0.50000000 1.0 0.25531915 0.25531915 0.50000000 1.0 0.24468085 0.24468085 0.50000000 1.0 0.23404255 0.23404255 0.50000000 1.0 0.22340426 0.22340426 0.50000000 1.0 0.21276596 0.21276596 0.50000000 1.0 0.20212766 0.20212766 0.50000000 1.0 0.19148936 0.19148936 0.50000000 1.0 0.18085106 0.18085106 0.50000000 1.0 0.17021277 0.17021277 0.50000000 1.0 0.15957447 0.15957447 0.50000000 1.0 0.14893617 0.14893617 0.50000000 1.0 0.13829787 0.13829787 0.50000000 1.0 0.12765957 0.12765957 0.50000000 1.0 0.11702128 0.11702128 0.50000000 1.0 0.10638298 0.10638298 0.50000000 1.0 0.09574468 0.09574468 0.50000000 1.0 0.08510638 0.08510638 0.50000000 1.0 0.07446809 0.07446809 0.50000000 1.0 0.06382979 0.06382979 0.50000000 1.0 0.05319149 0.05319149 0.50000000 1.0 0.04255319 0.04255319 0.50000000 1.0 0.03191489 0.03191489 0.50000000 1.0 0.02127660 0.02127660 0.50000000 1.0 0.01063830 0.01063830 0.50000000 1.0 0.00000000 0.00000000 0.50000000 1.0 0.00000000 0.50000000 0.00000000 1.0 0.00000000 0.50000000 0.02631579 1.0 0.00000000 0.50000000 0.05263158 1.0 0.00000000 0.50000000 0.07894737 1.0 0.00000000 0.50000000 0.10526316 1.0 0.00000000 0.50000000 0.13157895 1.0 0.00000000 0.50000000 0.15789474 1.0 -0.00000000 0.50000000 0.18421053 1.0 0.00000000 0.50000000 0.21052632 1.0 0.00000000 0.50000000 0.23684211 1.0 0.00000000 0.50000000 0.26315789 1.0 0.00000000 0.50000000 0.28947368 1.0 0.00000000 0.50000000 0.31578947 1.0 -0.00000000 0.50000000 0.34210526 1.0 -0.00000000 0.50000000 0.36842105 1.0 0.00000000 0.50000000 0.39473684 1.0 0.00000000 0.50000000 0.42105263 1.0 0.00000000 0.50000000 0.44736842 1.0 0.00000000 0.50000000 0.47368421 1.0 0.00000000 0.50000000 0.50000000 1.0 0.50000000 0.50000000 0.00000000 1.0 0.50000000 0.50000000 0.02631579 1.0 0.50000000 0.50000000 0.05263158 1.0 0.50000000 0.50000000 0.07894737 1.0 0.50000000 0.50000000 0.10526316 1.0 0.50000000 0.50000000 0.13157895 1.0 0.50000000 0.50000000 0.15789474 1.0 0.50000000 0.50000000 0.18421053 1.0 0.50000000 0.50000000 0.21052632 1.0 0.50000000 0.50000000 0.23684211 1.0 0.50000000 0.50000000 0.26315789 1.0 0.50000000 0.50000000 0.28947368 1.0 0.50000000 0.50000000 0.31578947 1.0 0.50000000 0.50000000 0.34210526 1.0 0.50000000 0.50000000 0.36842105 1.0 0.50000000 0.50000000 0.39473684 1.0 0.50000000 0.50000000 0.42105263 1.0 0.50000000 0.50000000 0.44736842 1.0 0.50000000 0.50000000 0.47368421 1.0 0.50000000 0.50000000 0.50000000 1.0