! Pwscf input file created with ciftopw.py 
! Compound: MnV4(CuO4)3
&control
         calculation     = 'bands'
         prefix          = 'MnV4xCuO4x3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.8726844551756550
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.3333333333333331
         celldm(5)       =           -0.3333333333333331
         celldm(6)       =           -0.3333333333333331
         nat             =       20
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      646.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
 V  50.9415 V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
210
      0.00000000       0.00000000       0.00000000 1.0 
      0.01136364      -0.01136364       0.01136364 1.0 
      0.02272727      -0.02272727       0.02272727 1.0 
      0.03409091      -0.03409091       0.03409091 1.0 
      0.04545455      -0.04545455       0.04545455 1.0 
      0.05681818      -0.05681818       0.05681818 1.0 
      0.06818182      -0.06818182       0.06818182 1.0 
      0.07954545      -0.07954545       0.07954545 1.0 
      0.09090909      -0.09090909       0.09090909 1.0 
      0.10227273      -0.10227273       0.10227273 1.0 
      0.11363636      -0.11363636       0.11363636 1.0 
      0.12500000      -0.12500000       0.12500000 1.0 
      0.13636364      -0.13636364       0.13636364 1.0 
      0.14772727      -0.14772727       0.14772727 1.0 
      0.15909091      -0.15909091       0.15909091 1.0 
      0.17045455      -0.17045455       0.17045455 1.0 
      0.18181818      -0.18181818       0.18181818 1.0 
      0.19318182      -0.19318182       0.19318182 1.0 
      0.20454545      -0.20454545       0.20454545 1.0 
      0.21590909      -0.21590909       0.21590909 1.0 
      0.22727273      -0.22727273       0.22727273 1.0 
      0.23863636      -0.23863636       0.23863636 1.0 
      0.25000000      -0.25000000       0.25000000 1.0 
      0.26136364      -0.26136364       0.26136364 1.0 
      0.27272727      -0.27272727       0.27272727 1.0 
      0.28409091      -0.28409091       0.28409091 1.0 
      0.29545455      -0.29545455       0.29545455 1.0 
      0.30681818      -0.30681818       0.30681818 1.0 
      0.31818182      -0.31818182       0.31818182 1.0 
      0.32954545      -0.32954545       0.32954545 1.0 
      0.34090909      -0.34090909       0.34090909 1.0 
      0.35227273      -0.35227273       0.35227273 1.0 
      0.36363636      -0.36363636       0.36363636 1.0 
      0.37500000      -0.37500000       0.37500000 1.0 
      0.38636364      -0.38636364       0.38636364 1.0 
      0.39772727      -0.39772727       0.39772727 1.0 
      0.40909091      -0.40909091       0.40909091 1.0 
      0.42045455      -0.42045455       0.42045455 1.0 
      0.43181818      -0.43181818       0.43181818 1.0 
      0.44318182      -0.44318182       0.44318182 1.0 
      0.45454545      -0.45454545       0.45454545 1.0 
      0.46590909      -0.46590909       0.46590909 1.0 
      0.47727273      -0.47727273       0.47727273 1.0 
      0.48863636      -0.48863636       0.48863636 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.48387097      -0.48387097       0.50000000 1.0 
      0.46774194      -0.46774194       0.50000000 1.0 
      0.45161290      -0.45161290       0.50000000 1.0 
      0.43548387      -0.43548387       0.50000000 1.0 
      0.41935484      -0.41935484       0.50000000 1.0 
      0.40322581      -0.40322581       0.50000000 1.0 
      0.38709677      -0.38709677       0.50000000 1.0 
      0.37096774      -0.37096774       0.50000000 1.0 
      0.35483871      -0.35483871       0.50000000 1.0 
      0.33870968      -0.33870968       0.50000000 1.0 
      0.32258065      -0.32258065       0.50000000 1.0 
      0.30645161      -0.30645161       0.50000000 1.0 
      0.29032258      -0.29032258       0.50000000 1.0 
      0.27419355      -0.27419355       0.50000000 1.0 
      0.25806452      -0.25806452       0.50000000 1.0 
      0.24193548      -0.24193548       0.50000000 1.0 
      0.22580645      -0.22580645       0.50000000 1.0 
      0.20967742      -0.20967742       0.50000000 1.0 
      0.19354839      -0.19354839       0.50000000 1.0 
      0.17741935      -0.17741935       0.50000000 1.0 
      0.16129032      -0.16129032       0.50000000 1.0 
      0.14516129      -0.14516129       0.50000000 1.0 
      0.12903226      -0.12903226       0.50000000 1.0 
      0.11290323      -0.11290323       0.50000000 1.0 
      0.09677419      -0.09677419       0.50000000 1.0 
      0.08064516      -0.08064516       0.50000000 1.0 
      0.06451613      -0.06451613       0.50000000 1.0 
      0.04838710      -0.04838710       0.50000000 1.0 
      0.03225806      -0.03225806       0.50000000 1.0 
      0.01612903      -0.01612903       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.48387097 1.0 
      0.00000000       0.00000000       0.46774194 1.0 
      0.00000000       0.00000000       0.45161290 1.0 
      0.00000000      -0.00000000       0.43548387 1.0 
     -0.00000000       0.00000000       0.41935484 1.0 
     -0.00000000       0.00000000       0.40322581 1.0 
      0.00000000       0.00000000       0.38709677 1.0 
      0.00000000       0.00000000       0.37096774 1.0 
      0.00000000       0.00000000       0.35483871 1.0 
      0.00000000       0.00000000       0.33870968 1.0 
      0.00000000       0.00000000       0.32258065 1.0 
      0.00000000       0.00000000       0.30645161 1.0 
     -0.00000000       0.00000000       0.29032258 1.0 
      0.00000000       0.00000000       0.27419355 1.0 
      0.00000000       0.00000000       0.25806452 1.0 
      0.00000000       0.00000000       0.24193548 1.0 
      0.00000000       0.00000000       0.22580645 1.0 
      0.00000000      -0.00000000       0.20967742 1.0 
      0.00000000       0.00000000       0.19354839 1.0 
      0.00000000       0.00000000       0.17741935 1.0 
      0.00000000       0.00000000       0.16129032 1.0 
     -0.00000000       0.00000000       0.14516129 1.0 
      0.00000000      -0.00000000       0.12903226 1.0 
     -0.00000000       0.00000000       0.11290323 1.0 
      0.00000000      -0.00000000       0.09677419 1.0 
      0.00000000      -0.00000000       0.08064516 1.0 
     -0.00000000       0.00000000       0.06451613 1.0 
      0.00000000      -0.00000000       0.04838710 1.0 
      0.00000000      -0.00000000       0.03225806 1.0 
      0.00000000      -0.00000000       0.01612903 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00657895       0.00657895       0.00657895 1.0 
      0.01315789       0.01315789       0.01315789 1.0 
      0.01973684       0.01973684       0.01973684 1.0 
      0.02631579       0.02631579       0.02631579 1.0 
      0.03289474       0.03289474       0.03289474 1.0 
      0.03947368       0.03947368       0.03947368 1.0 
      0.04605263       0.04605263       0.04605263 1.0 
      0.05263158       0.05263158       0.05263158 1.0 
      0.05921053       0.05921053       0.05921053 1.0 
      0.06578947       0.06578947       0.06578947 1.0 
      0.07236842       0.07236842       0.07236842 1.0 
      0.07894737       0.07894737       0.07894737 1.0 
      0.08552632       0.08552632       0.08552632 1.0 
      0.09210526       0.09210526       0.09210526 1.0 
      0.09868421       0.09868421       0.09868421 1.0 
      0.10526316       0.10526316       0.10526316 1.0 
      0.11184211       0.11184211       0.11184211 1.0 
      0.11842105       0.11842105       0.11842105 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.13157895       0.13157895       0.13157895 1.0 
      0.13815789       0.13815789       0.13815789 1.0 
      0.14473684       0.14473684       0.14473684 1.0 
      0.15131579       0.15131579       0.15131579 1.0 
      0.15789474       0.15789474       0.15789474 1.0 
      0.16447368       0.16447368       0.16447368 1.0 
      0.17105263       0.17105263       0.17105263 1.0 
      0.17763158       0.17763158       0.17763158 1.0 
      0.18421053       0.18421053       0.18421053 1.0 
      0.19078947       0.19078947       0.19078947 1.0 
      0.19736842       0.19736842       0.19736842 1.0 
      0.20394737       0.20394737       0.20394737 1.0 
      0.21052632       0.21052632       0.21052632 1.0 
      0.21710526       0.21710526       0.21710526 1.0 
      0.22368421       0.22368421       0.22368421 1.0 
      0.23026316       0.23026316       0.23026316 1.0 
      0.23684211       0.23684211       0.23684211 1.0 
      0.24342105       0.24342105       0.24342105 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25657895       0.23026316       0.25657895 1.0 
      0.26315789       0.21052632       0.26315789 1.0 
      0.26973684       0.19078947       0.26973684 1.0 
      0.27631579       0.17105263       0.27631579 1.0 
      0.28289474       0.15131579       0.28289474 1.0 
      0.28947368       0.13157895       0.28947368 1.0 
      0.29605263       0.11184211       0.29605263 1.0 
      0.30263158       0.09210526       0.30263158 1.0 
      0.30921053       0.07236842       0.30921053 1.0 
      0.31578947       0.05263158       0.31578947 1.0 
      0.32236842       0.03289474       0.32236842 1.0 
      0.32894737       0.01315789       0.32894737 1.0 
      0.33552632      -0.00657895       0.33552632 1.0 
      0.34210526      -0.02631579       0.34210526 1.0 
      0.34868421      -0.04605263       0.34868421 1.0 
      0.35526316      -0.06578947       0.35526316 1.0 
      0.36184211      -0.08552632       0.36184211 1.0 
      0.36842105      -0.10526316       0.36842105 1.0 
      0.37500000      -0.12500000       0.37500000 1.0 
      0.38157895      -0.14473684       0.38157895 1.0 
      0.38815789      -0.16447368       0.38815789 1.0 
      0.39473684      -0.18421053       0.39473684 1.0 
      0.40131579      -0.20394737       0.40131579 1.0 
      0.40789474      -0.22368421       0.40789474 1.0 
      0.41447368      -0.24342105       0.41447368 1.0 
      0.42105263      -0.26315789       0.42105263 1.0 
      0.42763158      -0.28289474       0.42763158 1.0 
      0.43421053      -0.30263158       0.43421053 1.0 
      0.44078947      -0.32236842       0.44078947 1.0 
      0.44736842      -0.34210526       0.44736842 1.0 
      0.45394737      -0.36184211       0.45394737 1.0 
      0.46052632      -0.38157895       0.46052632 1.0 
      0.46710526      -0.40131579       0.46710526 1.0 
      0.47368421      -0.42105263       0.47368421 1.0 
      0.48026316      -0.44078947       0.48026316 1.0 
      0.48684211      -0.46052632       0.48684211 1.0 
      0.49342105      -0.48026316       0.49342105 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23863636       0.23863636       0.26136364 1.0 
      0.22727273       0.22727273       0.27272727 1.0 
      0.21590909       0.21590909       0.28409091 1.0 
      0.20454545       0.20454545       0.29545455 1.0 
      0.19318182       0.19318182       0.30681818 1.0 
      0.18181818       0.18181818       0.31818182 1.0 
      0.17045455       0.17045455       0.32954545 1.0 
      0.15909091       0.15909091       0.34090909 1.0 
      0.14772727       0.14772727       0.35227273 1.0 
      0.13636364       0.13636364       0.36363636 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.11363636       0.11363636       0.38636364 1.0 
      0.10227273       0.10227273       0.39772727 1.0 
      0.09090909       0.09090909       0.40909091 1.0 
      0.07954545       0.07954545       0.42045455 1.0 
      0.06818182       0.06818182       0.43181818 1.0 
      0.05681818       0.05681818       0.44318182 1.0 
      0.04545455       0.04545455       0.45454545 1.0 
      0.03409091       0.03409091       0.46590909 1.0 
      0.02272727       0.02272727       0.47727273 1.0 
      0.01136364       0.01136364       0.48863636 1.0 
      0.00000000       0.00000000       0.50000000 1.0 

