! Pwscf input file created with ciftopw.py 
! Compound: Zr3S4
&control
         calculation     = 'bands'
         prefix          = 'Zr3S4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.8567886967839016
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =            0.5000000000000001
         celldm(5)       =            0.5000000000000001
         celldm(6)       =            0.5000000000000001
         nat             =       14
         ntyp            =        2
         ecutwfc         =       50.00000000
         ecutrho         =      200.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
210
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.00000000       0.01612903 1.0 
      0.03225806       0.00000000       0.03225806 1.0 
      0.04838710       0.00000000       0.04838710 1.0 
      0.06451613       0.00000000       0.06451613 1.0 
      0.08064516       0.00000000       0.08064516 1.0 
      0.09677419       0.00000000       0.09677419 1.0 
      0.11290323       0.00000000       0.11290323 1.0 
      0.12903226       0.00000000       0.12903226 1.0 
      0.14516129       0.00000000       0.14516129 1.0 
      0.16129032       0.00000000       0.16129032 1.0 
      0.17741935       0.00000000       0.17741935 1.0 
      0.19354839       0.00000000       0.19354839 1.0 
      0.20967742       0.00000000       0.20967742 1.0 
      0.22580645       0.00000000       0.22580645 1.0 
      0.24193548       0.00000000       0.24193548 1.0 
      0.25806452       0.00000000       0.25806452 1.0 
      0.27419355       0.00000000       0.27419355 1.0 
      0.29032258       0.00000000       0.29032258 1.0 
      0.30645161       0.00000000       0.30645161 1.0 
      0.32258065       0.00000000       0.32258065 1.0 
      0.33870968       0.00000000       0.33870968 1.0 
      0.35483871       0.00000000       0.35483871 1.0 
      0.37096774       0.00000000       0.37096774 1.0 
      0.38709677       0.00000000       0.38709677 1.0 
      0.40322581       0.00000000       0.40322581 1.0 
      0.41935484       0.00000000       0.41935484 1.0 
      0.43548387       0.00000000       0.43548387 1.0 
      0.45161290       0.00000000       0.45161290 1.0 
      0.46774194       0.00000000       0.46774194 1.0 
      0.48387097       0.00000000       0.48387097 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.01562500       0.51562500 1.0 
      0.50000000       0.03125000       0.53125000 1.0 
      0.50000000       0.04687500       0.54687500 1.0 
      0.50000000       0.06250000       0.56250000 1.0 
      0.50000000       0.07812500       0.57812500 1.0 
      0.50000000       0.09375000       0.59375000 1.0 
      0.50000000       0.10937500       0.60937500 1.0 
      0.50000000       0.12500000       0.62500000 1.0 
      0.50000000       0.14062500       0.64062500 1.0 
      0.50000000       0.15625000       0.65625000 1.0 
      0.50000000       0.17187500       0.67187500 1.0 
      0.50000000       0.18750000       0.68750000 1.0 
      0.50000000       0.20312500       0.70312500 1.0 
      0.50000000       0.21875000       0.71875000 1.0 
      0.50000000       0.23437500       0.73437500 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.48863636       0.26136364       0.75000000 1.0 
      0.47727273       0.27272727       0.75000000 1.0 
      0.46590909       0.28409091       0.75000000 1.0 
      0.45454545       0.29545455       0.75000000 1.0 
      0.44318182       0.30681818       0.75000000 1.0 
      0.43181818       0.31818182       0.75000000 1.0 
      0.42045455       0.32954545       0.75000000 1.0 
      0.40909091       0.34090909       0.75000000 1.0 
      0.39772727       0.35227273       0.75000000 1.0 
      0.38636364       0.36363636       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.36363636       0.36363636       0.72727273 1.0 
      0.35227273       0.35227273       0.70454545 1.0 
      0.34090909       0.34090909       0.68181818 1.0 
      0.32954545       0.32954545       0.65909091 1.0 
      0.31818182       0.31818182       0.63636364 1.0 
      0.30681818       0.30681818       0.61363636 1.0 
      0.29545455       0.29545455       0.59090909 1.0 
      0.28409091       0.28409091       0.56818182 1.0 
      0.27272727       0.27272727       0.54545455 1.0 
      0.26136364       0.26136364       0.52272727 1.0 
      0.25000000       0.25000000       0.50000000 1.0 
      0.23863636       0.23863636       0.47727273 1.0 
      0.22727273       0.22727273       0.45454545 1.0 
      0.21590909       0.21590909       0.43181818 1.0 
      0.20454545       0.20454545       0.40909091 1.0 
      0.19318182       0.19318182       0.38636364 1.0 
      0.18181818       0.18181818       0.36363636 1.0 
      0.17045455       0.17045455       0.34090909 1.0 
      0.15909091       0.15909091       0.31818182 1.0 
      0.14772727       0.14772727       0.29545455 1.0 
      0.13636364       0.13636364       0.27272727 1.0 
      0.12500000       0.12500000       0.25000000 1.0 
      0.11363636       0.11363636       0.22727273 1.0 
      0.10227273       0.10227273       0.20454545 1.0 
      0.09090909       0.09090909       0.18181818 1.0 
      0.07954545       0.07954545       0.15909091 1.0 
      0.06818182       0.06818182       0.13636364 1.0 
      0.05681818       0.05681818       0.11363636 1.0 
      0.04545455       0.04545455       0.09090909 1.0 
      0.03409091       0.03409091       0.06818182 1.0 
      0.02272727       0.02272727       0.04545455 1.0 
      0.01136364       0.01136364       0.02272727 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01851852       0.01851852       0.01851852 1.0 
      0.03703704       0.03703704       0.03703704 1.0 
      0.05555556       0.05555556       0.05555556 1.0 
      0.07407407       0.07407407       0.07407407 1.0 
      0.09259259       0.09259259       0.09259259 1.0 
      0.11111111       0.11111111       0.11111111 1.0 
      0.12962963       0.12962963       0.12962963 1.0 
      0.14814815       0.14814815       0.14814815 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.18518519       0.18518519       0.18518519 1.0 
      0.20370370       0.20370370       0.20370370 1.0 
      0.22222222       0.22222222       0.22222222 1.0 
      0.24074074       0.24074074       0.24074074 1.0 
      0.25925926       0.25925926       0.25925926 1.0 
      0.27777778       0.27777778       0.27777778 1.0 
      0.29629630       0.29629630       0.29629630 1.0 
      0.31481481       0.31481481       0.31481481 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.35185185       0.35185185       0.35185185 1.0 
      0.37037037       0.37037037       0.37037037 1.0 
      0.38888889       0.38888889       0.38888889 1.0 
      0.40740741       0.40740741       0.40740741 1.0 
      0.42592593       0.42592593       0.42592593 1.0 
      0.44444444       0.44444444       0.44444444 1.0 
      0.46296296       0.46296296       0.46296296 1.0 
      0.48148148       0.48148148       0.48148148 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50657895       0.48684211       0.50657895 1.0 
      0.51315789       0.47368421       0.51315789 1.0 
      0.51973684       0.46052632       0.51973684 1.0 
      0.52631579       0.44736842       0.52631579 1.0 
      0.53289474       0.43421053       0.53289474 1.0 
      0.53947368       0.42105263       0.53947368 1.0 
      0.54605263       0.40789474       0.54605263 1.0 
      0.55263158       0.39473684       0.55263158 1.0 
      0.55921053       0.38157895       0.55921053 1.0 
      0.56578947       0.36842105       0.56578947 1.0 
      0.57236842       0.35526316       0.57236842 1.0 
      0.57894737       0.34210526       0.57894737 1.0 
      0.58552632       0.32894737       0.58552632 1.0 
      0.59210526       0.31578947       0.59210526 1.0 
      0.59868421       0.30263158       0.59868421 1.0 
      0.60526316       0.28947368       0.60526316 1.0 
      0.61184211       0.27631579       0.61184211 1.0 
      0.61842105       0.26315789       0.61842105 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61363636       0.25000000       0.63636364 1.0 
      0.60227273       0.25000000       0.64772727 1.0 
      0.59090909       0.25000000       0.65909091 1.0 
      0.57954545       0.25000000       0.67045455 1.0 
      0.56818182       0.25000000       0.68181818 1.0 
      0.55681818       0.25000000       0.69318182 1.0 
      0.54545455       0.25000000       0.70454545 1.0 
      0.53409091       0.25000000       0.71590909 1.0 
      0.52272727       0.25000000       0.72727273 1.0 
      0.51136364       0.25000000       0.73863636 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.26136364       0.73863636 1.0 
      0.50000000       0.27272727       0.72727273 1.0 
      0.50000000       0.28409091       0.71590909 1.0 
      0.50000000       0.29545455       0.70454545 1.0 
      0.50000000       0.30681818       0.69318182 1.0 
      0.50000000       0.31818182       0.68181818 1.0 
      0.50000000       0.32954545       0.67045455 1.0 
      0.50000000       0.34090909       0.65909091 1.0 
      0.50000000       0.35227273       0.64772727 1.0 
      0.50000000       0.36363636       0.63636364 1.0 
      0.50000000       0.37500000       0.62500000 1.0 
      0.50000000       0.38636364       0.61363636 1.0 
      0.50000000       0.39772727       0.60227273 1.0 
      0.50000000       0.40909091       0.59090909 1.0 
      0.50000000       0.42045455       0.57954545 1.0 
      0.50000000       0.43181818       0.56818182 1.0 
      0.50000000       0.44318182       0.55681818 1.0 
      0.50000000       0.45454545       0.54545455 1.0 
      0.50000000       0.46590909       0.53409091 1.0 
      0.50000000       0.47727273       0.52272727 1.0 
      0.50000000       0.48863636       0.51136364 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49342105       0.49342105       0.51315789 1.0 
      0.48684211       0.48684211       0.52631579 1.0 
      0.48026316       0.48026316       0.53947368 1.0 
      0.47368421       0.47368421       0.55263158 1.0 
      0.46710526       0.46710526       0.56578947 1.0 
      0.46052632       0.46052632       0.57894737 1.0 
      0.45394737       0.45394737       0.59210526 1.0 
      0.44736842       0.44736842       0.60526316 1.0 
      0.44078947       0.44078947       0.61842105 1.0 
      0.43421053       0.43421053       0.63157895 1.0 
      0.42763158       0.42763158       0.64473684 1.0 
      0.42105263       0.42105263       0.65789474 1.0 
      0.41447368       0.41447368       0.67105263 1.0 
      0.40789474       0.40789474       0.68421053 1.0 
      0.40131579       0.40131579       0.69736842 1.0 
      0.39473684       0.39473684       0.71052632 1.0 
      0.38815789       0.38815789       0.72368421 1.0 
      0.38157895       0.38157895       0.73684211 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61363636       0.22727273       0.61363636 1.0 
      0.60227273       0.20454545       0.60227273 1.0 
      0.59090909       0.18181818       0.59090909 1.0 
      0.57954545       0.15909091       0.57954545 1.0 
      0.56818182       0.13636364       0.56818182 1.0 
      0.55681818       0.11363636       0.55681818 1.0 
      0.54545455       0.09090909       0.54545455 1.0 
      0.53409091       0.06818182       0.53409091 1.0 
      0.52272727       0.04545455       0.52272727 1.0 
      0.51136364       0.02272727       0.51136364 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

