! Pwscf input file created with ciftopw.py 
! Compound: CuI
&control
         calculation     = 'bands'
         prefix          = 'CuI'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.6738426859159787
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.8351349593416569
         celldm(5)       =            0.8351349593416569
         celldm(6)       =            0.8351349593416569
         nat             =        4
         ntyp            =        2
         ecutwfc         =       46.00000000
         ecutrho         =      237.00000000
         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
 I 126.9045 I.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
297
      0.00000000       0.00000000       0.00000000 1.0 
      0.01111111      -0.00000000      -0.00000000 1.0 
      0.02222222      -0.00000000      -0.00000000 1.0 
      0.03333333      -0.00000000      -0.00000000 1.0 
      0.04444444      -0.00000000      -0.00000000 1.0 
      0.05555556      -0.00000000      -0.00000000 1.0 
      0.06666667      -0.00000000      -0.00000000 1.0 
      0.07777778       0.00000000      -0.00000000 1.0 
      0.08888889      -0.00000000      -0.00000000 1.0 
      0.10000000      -0.00000000      -0.00000000 1.0 
      0.11111111      -0.00000000      -0.00000000 1.0 
      0.12222222      -0.00000000      -0.00000000 1.0 
      0.13333333      -0.00000000      -0.00000000 1.0 
      0.14444444      -0.00000000       0.00000000 1.0 
      0.15555556       0.00000000      -0.00000000 1.0 
      0.16666667      -0.00000000      -0.00000000 1.0 
      0.17777778      -0.00000000      -0.00000000 1.0 
      0.18888889      -0.00000000      -0.00000000 1.0 
      0.20000000      -0.00000000      -0.00000000 1.0 
      0.21111111      -0.00000000      -0.00000000 1.0 
      0.22222222      -0.00000000      -0.00000000 1.0 
      0.23333333      -0.00000000      -0.00000000 1.0 
      0.24444444      -0.00000000      -0.00000000 1.0 
      0.25555556      -0.00000000      -0.00000000 1.0 
      0.26666667      -0.00000000      -0.00000000 1.0 
      0.27777778      -0.00000000      -0.00000000 1.0 
      0.28888889      -0.00000000       0.00000000 1.0 
      0.30000000       0.00000000      -0.00000000 1.0 
      0.31111111       0.00000000      -0.00000000 1.0 
      0.32222222      -0.00000000      -0.00000000 1.0 
      0.33333333      -0.00000000      -0.00000000 1.0 
      0.34444444      -0.00000000      -0.00000000 1.0 
      0.35555556      -0.00000000      -0.00000000 1.0 
      0.36666667      -0.00000000      -0.00000000 1.0 
      0.37777778      -0.00000000      -0.00000000 1.0 
      0.38888889       0.00000000       0.00000000 1.0 
      0.40000000      -0.00000000      -0.00000000 1.0 
      0.41111111      -0.00000000      -0.00000000 1.0 
      0.42222222      -0.00000000      -0.00000000 1.0 
      0.43333333      -0.00000000      -0.00000000 1.0 
      0.44444444      -0.00000000      -0.00000000 1.0 
      0.45555556      -0.00000000      -0.00000000 1.0 
      0.46666667      -0.00000000      -0.00000000 1.0 
      0.47777778      -0.00000000      -0.00000000 1.0 
      0.48888889      -0.00000000      -0.00000000 1.0 
      0.50000000      -0.00000000      -0.00000000 1.0 
      0.50000000      -0.00000000      -0.00000000 1.0 
      0.50000000       0.00645679      -0.00645679 1.0 
      0.50000000       0.01291359      -0.01291359 1.0 
      0.50000000       0.01937038      -0.01937038 1.0 
      0.50000000       0.02582717      -0.02582717 1.0 
      0.50000000       0.03228396      -0.03228396 1.0 
      0.50000000       0.03874076      -0.03874076 1.0 
      0.50000000       0.04519755      -0.04519755 1.0 
      0.50000000       0.05165434      -0.05165434 1.0 
      0.50000000       0.05811113      -0.05811113 1.0 
      0.50000000       0.06456793      -0.06456793 1.0 
      0.50000000       0.07102472      -0.07102472 1.0 
      0.50000000       0.07748151      -0.07748151 1.0 
      0.50000000       0.08393831      -0.08393831 1.0 
      0.50000000       0.09039510      -0.09039510 1.0 
      0.50000000       0.09685189      -0.09685189 1.0 
      0.50000000       0.10330868      -0.10330868 1.0 
      0.50000000       0.10976548      -0.10976548 1.0 
      0.50000000       0.11622227      -0.11622227 1.0 
      0.50000000       0.12267906      -0.12267906 1.0 
      0.50000000       0.12913585      -0.12913585 1.0 
      0.50000000       0.13559265      -0.13559265 1.0 
      0.50000000       0.14204944      -0.14204944 1.0 
      0.50000000       0.14850623      -0.14850623 1.0 
      0.50000000       0.15496302      -0.15496302 1.0 
      0.50000000       0.16141982      -0.16141982 1.0 
      0.50000000       0.16787661      -0.16787661 1.0 
      0.50000000       0.17433340      -0.17433340 1.0 
      0.50000000       0.18079020      -0.18079020 1.0 
      0.50000000       0.18724699      -0.18724699 1.0 
      0.81275301       0.50000000       0.18724699 1.0 
      0.80623732       0.50000000       0.19376268 1.0 
      0.79972164       0.50000000       0.20027836 1.0 
      0.79320595       0.50000000       0.20679405 1.0 
      0.78669026       0.50000000       0.21330974 1.0 
      0.78017457       0.50000000       0.21982543 1.0 
      0.77365889       0.50000000       0.22634111 1.0 
      0.76714320       0.50000000       0.23285680 1.0 
      0.76062751       0.50000000       0.23937249 1.0 
      0.75411182       0.50000000       0.24588818 1.0 
      0.74759613       0.50000000       0.25240387 1.0 
      0.74108045       0.50000000       0.25891955 1.0 
      0.73456476       0.50000000       0.26543524 1.0 
      0.72804907       0.50000000       0.27195093 1.0 
      0.72153338       0.50000000       0.27846662 1.0 
      0.71501770       0.50000000       0.28498230 1.0 
      0.70850201       0.50000000       0.29149799 1.0 
      0.70198632       0.50000000       0.29801368 1.0 
      0.69547063       0.50000000       0.30452937 1.0 
      0.68895494       0.50000000       0.31104506 1.0 
      0.68243926       0.50000000       0.31756074 1.0 
      0.67592357       0.50000000       0.32407643 1.0 
      0.66940788       0.50000000       0.33059212 1.0 
      0.66289219       0.50000000       0.33710781 1.0 
      0.65637651       0.50000000       0.34362349 1.0 
      0.64986082       0.50000000       0.35013918 1.0 
      0.64334513       0.50000000       0.35665487 1.0 
      0.63682944       0.50000000       0.36317056 1.0 
      0.63031375       0.50000000       0.36968625 1.0 
      0.62379807       0.50000000       0.37620193 1.0 
      0.61728238       0.50000000       0.38271762 1.0 
      0.61076669       0.50000000       0.38923331 1.0 
      0.60425100       0.50000000       0.39574900 1.0 
      0.59773532       0.50000000       0.40226468 1.0 
      0.59121963       0.50000000       0.40878037 1.0 
      0.58470394       0.50000000       0.41529606 1.0 
      0.57818825       0.50000000       0.42181175 1.0 
      0.57167257       0.50000000       0.42832743 1.0 
      0.56515688       0.50000000       0.43484312 1.0 
      0.55864119       0.50000000       0.44135881 1.0 
      0.55212550       0.50000000       0.44787450 1.0 
      0.54560981       0.50000000       0.45439019 1.0 
      0.53909413       0.50000000       0.46090587 1.0 
      0.53257844       0.50000000       0.46742156 1.0 
      0.52606275       0.50000000       0.47393725 1.0 
      0.51954706       0.50000000       0.48045294 1.0 
      0.51303138       0.50000000       0.48696862 1.0 
      0.50651569       0.50000000       0.49348431 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.47916667       0.47916667       0.47916667 1.0 
      0.45833333       0.45833333       0.45833333 1.0 
      0.43750000       0.43750000       0.43750000 1.0 
      0.41666667       0.41666667       0.41666667 1.0 
      0.39583333       0.39583333       0.39583333 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.35416667       0.35416667       0.35416667 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.31250000       0.31250000       0.31250000 1.0 
      0.29166667       0.29166667       0.29166667 1.0 
      0.27083333       0.27083333       0.27083333 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.22916667       0.22916667       0.22916667 1.0 
      0.20833333       0.20833333       0.20833333 1.0 
      0.18750000       0.18750000       0.18750000 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.14583333       0.14583333       0.14583333 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.10416667       0.10416667       0.10416667 1.0 
      0.08333333       0.08333333       0.08333333 1.0 
      0.06250000       0.06250000       0.06250000 1.0 
      0.04166667       0.04166667       0.04166667 1.0 
      0.02083333       0.02083333       0.02083333 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00660814      -0.00000000      -0.00660814 1.0 
      0.01321629      -0.00000000      -0.01321629 1.0 
      0.01982443      -0.00000000      -0.01982443 1.0 
      0.02643258      -0.00000000      -0.02643258 1.0 
      0.03304072      -0.00000000      -0.03304072 1.0 
      0.03964886      -0.00000000      -0.03964886 1.0 
      0.04625701      -0.00000000      -0.04625701 1.0 
      0.05286515      -0.00000000      -0.05286515 1.0 
      0.05947330      -0.00000000      -0.05947330 1.0 
      0.06608144      -0.00000000      -0.06608144 1.0 
      0.07268959       0.00000000      -0.07268959 1.0 
      0.07929773      -0.00000000      -0.07929773 1.0 
      0.08590587       0.00000000      -0.08590587 1.0 
      0.09251402      -0.00000000      -0.09251402 1.0 
      0.09912216       0.00000000      -0.09912216 1.0 
      0.10573031      -0.00000000      -0.10573031 1.0 
      0.11233845       0.00000000      -0.11233845 1.0 
      0.11894659      -0.00000000      -0.11894659 1.0 
      0.12555474      -0.00000000      -0.12555474 1.0 
      0.13216288      -0.00000000      -0.13216288 1.0 
      0.13877103       0.00000000      -0.13877103 1.0 
      0.14537917       0.00000000      -0.14537917 1.0 
      0.15198731       0.00000000      -0.15198731 1.0 
      0.15859546      -0.00000000      -0.15859546 1.0 
      0.16520360       0.00000000      -0.16520360 1.0 
      0.17181175       0.00000000      -0.17181175 1.0 
      0.17841989       0.00000000      -0.17841989 1.0 
      0.18502804      -0.00000000      -0.18502804 1.0 
      0.19163618       0.00000000      -0.19163618 1.0 
      0.19824432       0.00000000      -0.19824432 1.0 
      0.20485247      -0.00000000      -0.20485247 1.0 
      0.21146061      -0.00000000      -0.21146061 1.0 
      0.21806876      -0.00000000      -0.21806876 1.0 
      0.22467690       0.00000000      -0.22467690 1.0 
      0.23128504       0.00000000      -0.23128504 1.0 
      0.23789319      -0.00000000      -0.23789319 1.0 
      0.24450133       0.00000000      -0.24450133 1.0 
      0.25110948      -0.00000000      -0.25110948 1.0 
      0.25771762      -0.00000000      -0.25771762 1.0 
      0.26432576      -0.00000000      -0.26432576 1.0 
      0.27093391       0.00000000      -0.27093391 1.0 
      0.27754205       0.00000000      -0.27754205 1.0 
      0.28415020       0.00000000      -0.28415020 1.0 
      0.29075834       0.00000000      -0.29075834 1.0 
      0.29736649      -0.00000000      -0.29736649 1.0 
      0.30397463       0.00000000      -0.30397463 1.0 
      0.31058277       0.00000000      -0.31058277 1.0 
      0.31719092      -0.00000000      -0.31719092 1.0 
      0.32379906      -0.00000000      -0.32379906 1.0 
      0.33040721       0.00000000      -0.33040721 1.0 
      0.33701535      -0.00000000      -0.33701535 1.0 
      0.34362349       0.00000000      -0.34362349 1.0 
      0.65637651       0.34362349       0.00000000 1.0 
      0.64986082       0.35013918       0.00000000 1.0 
      0.64334513       0.35665487       0.00000000 1.0 
      0.63682944       0.36317056       0.00000000 1.0 
      0.63031375       0.36968625       0.00000000 1.0 
      0.62379807       0.37620193       0.00000000 1.0 
      0.61728238       0.38271762       0.00000000 1.0 
      0.61076669       0.38923331       0.00000000 1.0 
      0.60425100       0.39574900       0.00000000 1.0 
      0.59773532       0.40226468       0.00000000 1.0 
      0.59121963       0.40878037       0.00000000 1.0 
      0.58470394       0.41529606       0.00000000 1.0 
      0.57818825       0.42181175       0.00000000 1.0 
      0.57167257       0.42832743       0.00000000 1.0 
      0.56515688       0.43484312       0.00000000 1.0 
      0.55864119       0.44135881       0.00000000 1.0 
      0.55212550       0.44787450       0.00000000 1.0 
      0.54560981       0.45439019       0.00000000 1.0 
      0.53909413       0.46090587       0.00000000 1.0 
      0.53257844       0.46742156       0.00000000 1.0 
      0.52606275       0.47393725       0.00000000 1.0 
      0.51954706       0.48045294       0.00000000 1.0 
      0.51303138       0.48696862       0.00000000 1.0 
      0.50651569       0.49348431       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51737517       0.51737517       0.02080522 1.0 
      0.53475033       0.53475033       0.04161044 1.0 
      0.55212550       0.55212550       0.06241566 1.0 
      0.56950067       0.56950067       0.08322088 1.0 
      0.58687584       0.58687584       0.10402610 1.0 
      0.60425100       0.60425100       0.12483133 1.0 
      0.62162617       0.62162617       0.14563655 1.0 
      0.63900134       0.63900134       0.16644177 1.0 
      0.65637651       0.65637651       0.18724699 1.0 
      0.65637651       0.65637651       0.18724699 1.0 
      0.65256244       0.65256244       0.19487511 1.0 
      0.64874838       0.64874838       0.20250323 1.0 
      0.64493432       0.64493432       0.21013135 1.0 
      0.64112026       0.64112026       0.21775948 1.0 
      0.63730620       0.63730620       0.22538760 1.0 
      0.63349214       0.63349214       0.23301572 1.0 
      0.62967808       0.62967808       0.24064384 1.0 
      0.62586402       0.62586402       0.24827197 1.0 
      0.62204996       0.62204996       0.25590009 1.0 
      0.61823589       0.61823589       0.26352821 1.0 
      0.61442183       0.61442183       0.27115633 1.0 
      0.61060777       0.61060777       0.27878446 1.0 
      0.60679371       0.60679371       0.28641258 1.0 
      0.60297965       0.60297965       0.29404070 1.0 
      0.59916559       0.59916559       0.30166882 1.0 
      0.59535153       0.59535153       0.30929694 1.0 
      0.59153747       0.59153747       0.31692507 1.0 
      0.58772341       0.58772341       0.32455319 1.0 
      0.58390934       0.58390934       0.33218131 1.0 
      0.58009528       0.58009528       0.33980943 1.0 
      0.57628122       0.57628122       0.34743756 1.0 
      0.57246716       0.57246716       0.35506568 1.0 
      0.56865310       0.56865310       0.36269380 1.0 
      0.56483904       0.56483904       0.37032192 1.0 
      0.56102498       0.56102498       0.37795004 1.0 
      0.55721092       0.55721092       0.38557817 1.0 
      0.55339686       0.55339686       0.39320629 1.0 
      0.54958279       0.54958279       0.40083441 1.0 
      0.54576873       0.54576873       0.40846253 1.0 
      0.54195467       0.54195467       0.41609066 1.0 
      0.53814061       0.53814061       0.42371878 1.0 
      0.53432655       0.53432655       0.43134690 1.0 
      0.53051249       0.53051249       0.43897502 1.0 
      0.52669843       0.52669843       0.44660314 1.0 
      0.52288437       0.52288437       0.45423127 1.0 
      0.51907031       0.51907031       0.46185939 1.0 
      0.51525624       0.51525624       0.46948751 1.0 
      0.51144218       0.51144218       0.47711563 1.0 
      0.50762812       0.50762812       0.48474376 1.0 
      0.50381406       0.50381406       0.49237188 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000      -0.00000000      -0.00000000 1.0 
      0.51954706       0.02147647       0.02147647 1.0 
      0.53909413       0.04295294       0.04295294 1.0 
      0.55864119       0.06442941       0.06442941 1.0 
      0.57818825       0.08590587       0.08590587 1.0 
      0.59773532       0.10738234       0.10738234 1.0 
      0.61728238       0.12885881       0.12885881 1.0 
      0.63682944       0.15033528       0.15033528 1.0 
      0.65637651       0.17181175       0.17181175 1.0 
      0.67592357       0.19328822       0.19328822 1.0 
      0.69547063       0.21476468       0.21476468 1.0 
      0.71501770       0.23624115       0.23624115 1.0 
      0.73456476       0.25771762       0.25771762 1.0 
      0.75411182       0.27919409       0.27919409 1.0 
      0.77365889       0.30067056       0.30067056 1.0 
      0.79320595       0.32214703       0.32214703 1.0 
      0.81275301       0.34362349       0.34362349 1.0 

