! Pwscf input file created with pymatgen.py 
! Compound: MgF2
&control
         calculation     = 'bands'
         prefix          = 'MgF2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.5664628599559993
         celldm(2)       =            1.3046953046953049
         celldm(3)       =            1.4857642357642358
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        6
         ntyp            =        2
         ecutwfc         =       59.00000000
         ecutrho         =      386.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Mg  24.3050 Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
301
      0.50000000       0.00000000       0.00000000 1.0 
      0.48750000       0.00000000       0.00000000 1.0 
      0.47500000       0.00000000       0.00000000 1.0 
      0.46250000       0.00000000       0.00000000 1.0 
      0.45000000       0.00000000      -0.00000000 1.0 
      0.43750000       0.00000000       0.00000000 1.0 
      0.42500000      -0.00000000       0.00000000 1.0 
      0.41250000       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.38750000       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.36250000       0.00000000       0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.33750000       0.00000000       0.00000000 1.0 
      0.32500000      -0.00000000      -0.00000000 1.0 
      0.31250000      -0.00000000       0.00000000 1.0 
      0.30000000      -0.00000000      -0.00000000 1.0 
      0.28750000       0.00000000      -0.00000000 1.0 
      0.27500000      -0.00000000       0.00000000 1.0 
      0.26250000       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.23750000       0.00000000       0.00000000 1.0 
      0.22500000       0.00000000       0.00000000 1.0 
      0.21250000       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.17500000       0.00000000       0.00000000 1.0 
      0.16250000       0.00000000       0.00000000 1.0 
      0.15000000       0.00000000       0.00000000 1.0 
      0.13750000       0.00000000       0.00000000 1.0 
      0.12500000      -0.00000000      -0.00000000 1.0 
      0.11250000      -0.00000000      -0.00000000 1.0 
      0.10000000      -0.00000000      -0.00000000 1.0 
      0.08750000      -0.00000000      -0.00000000 1.0 
      0.07500000      -0.00000000      -0.00000000 1.0 
      0.06250000      -0.00000000      -0.00000000 1.0 
      0.05000000      -0.00000000      -0.00000000 1.0 
      0.03750000      -0.00000000      -0.00000000 1.0 
      0.02500000      -0.00000000      -0.00000000 1.0 
      0.01250000      -0.00000000      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01612903       0.00000000 1.0 
      0.00000000       0.03225806       0.00000000 1.0 
      0.00000000       0.04838710       0.00000000 1.0 
      0.00000000       0.06451613       0.00000000 1.0 
      0.00000000       0.08064516       0.00000000 1.0 
      0.00000000       0.09677419       0.00000000 1.0 
      0.00000000       0.11290323       0.00000000 1.0 
      0.00000000       0.12903226       0.00000000 1.0 
      0.00000000       0.14516129       0.00000000 1.0 
      0.00000000       0.16129032       0.00000000 1.0 
      0.00000000       0.17741935       0.00000000 1.0 
      0.00000000       0.19354839       0.00000000 1.0 
      0.00000000       0.20967742       0.00000000 1.0 
      0.00000000       0.22580645       0.00000000 1.0 
      0.00000000       0.24193548       0.00000000 1.0 
      0.00000000       0.25806452       0.00000000 1.0 
      0.00000000       0.27419355       0.00000000 1.0 
      0.00000000       0.29032258       0.00000000 1.0 
      0.00000000       0.30645161       0.00000000 1.0 
      0.00000000       0.32258065       0.00000000 1.0 
      0.00000000       0.33870968       0.00000000 1.0 
      0.00000000       0.35483871       0.00000000 1.0 
      0.00000000       0.37096774       0.00000000 1.0 
      0.00000000       0.38709677       0.00000000 1.0 
      0.00000000       0.40322581       0.00000000 1.0 
      0.00000000       0.41935484       0.00000000 1.0 
      0.00000000       0.43548387       0.00000000 1.0 
      0.00000000       0.45161290       0.00000000 1.0 
      0.00000000       0.46774194       0.00000000 1.0 
      0.00000000       0.48387097       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.49000000       0.49000000       0.00000000 1.0 
      0.48000000       0.48000000       0.00000000 1.0 
      0.47000000       0.47000000       0.00000000 1.0 
      0.46000000       0.46000000      -0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.44000000       0.44000000       0.00000000 1.0 
      0.43000000       0.43000000       0.00000000 1.0 
      0.42000000       0.42000000       0.00000000 1.0 
      0.41000000       0.41000000      -0.00000000 1.0 
      0.40000000       0.40000000      -0.00000000 1.0 
      0.39000000       0.39000000       0.00000000 1.0 
      0.38000000       0.38000000       0.00000000 1.0 
      0.37000000       0.37000000       0.00000000 1.0 
      0.36000000       0.36000000       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.34000000       0.34000000       0.00000000 1.0 
      0.33000000       0.33000000       0.00000000 1.0 
      0.32000000       0.32000000       0.00000000 1.0 
      0.31000000       0.31000000       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.29000000       0.29000000       0.00000000 1.0 
      0.28000000       0.28000000      -0.00000000 1.0 
      0.27000000       0.27000000       0.00000000 1.0 
      0.26000000       0.26000000       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.24000000       0.24000000       0.00000000 1.0 
      0.23000000       0.23000000       0.00000000 1.0 
      0.22000000       0.22000000       0.00000000 1.0 
      0.21000000       0.21000000       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.19000000       0.19000000       0.00000000 1.0 
      0.18000000       0.18000000       0.00000000 1.0 
      0.17000000       0.17000000       0.00000000 1.0 
      0.16000000       0.16000000       0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.14000000       0.14000000       0.00000000 1.0 
      0.13000000       0.13000000       0.00000000 1.0 
      0.12000000       0.12000000      -0.00000000 1.0 
      0.11000000       0.11000000       0.00000000 1.0 
      0.10000000       0.10000000      -0.00000000 1.0 
      0.09000000       0.09000000       0.00000000 1.0 
      0.08000000       0.08000000      -0.00000000 1.0 
      0.07000000       0.07000000       0.00000000 1.0 
      0.06000000       0.06000000      -0.00000000 1.0 
      0.05000000       0.05000000       0.00000000 1.0 
      0.04000000       0.04000000      -0.00000000 1.0 
      0.03000000       0.03000000       0.00000000 1.0 
      0.02000000       0.02000000      -0.00000000 1.0 
      0.01000000       0.01000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01851852 1.0 
      0.00000000       0.00000000       0.03703704 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.07407407 1.0 
      0.00000000       0.00000000       0.09259259 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.12962963 1.0 
      0.00000000       0.00000000       0.14814815 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.18518519 1.0 
      0.00000000       0.00000000       0.20370370 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.24074074 1.0 
      0.00000000       0.00000000       0.25925926 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.29629630 1.0 
      0.00000000       0.00000000       0.31481481 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.35185185 1.0 
      0.00000000       0.00000000       0.37037037 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.40740741 1.0 
      0.00000000       0.00000000       0.42592593 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.46296296 1.0 
      0.00000000       0.00000000       0.48148148 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48958333       0.00000000       0.48958333 1.0 
      0.47916667      -0.00000000       0.47916667 1.0 
      0.46875000      -0.00000000       0.46875000 1.0 
      0.45833333      -0.00000000       0.45833333 1.0 
      0.44791667       0.00000000       0.44791667 1.0 
      0.43750000       0.00000000       0.43750000 1.0 
      0.42708333       0.00000000       0.42708333 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40625000       0.00000000       0.40625000 1.0 
      0.39583333       0.00000000       0.39583333 1.0 
      0.38541667       0.00000000       0.38541667 1.0 
      0.37500000       0.00000000       0.37500000 1.0 
      0.36458333      -0.00000000       0.36458333 1.0 
      0.35416667      -0.00000000       0.35416667 1.0 
      0.34375000      -0.00000000       0.34375000 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.32291667       0.00000000       0.32291667 1.0 
      0.31250000      -0.00000000       0.31250000 1.0 
      0.30208333       0.00000000       0.30208333 1.0 
      0.29166667      -0.00000000       0.29166667 1.0 
      0.28125000      -0.00000000       0.28125000 1.0 
      0.27083333       0.00000000       0.27083333 1.0 
      0.26041667       0.00000000       0.26041667 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23958333       0.00000000       0.23958333 1.0 
      0.22916667       0.00000000       0.22916667 1.0 
      0.21875000       0.00000000       0.21875000 1.0 
      0.20833333       0.00000000       0.20833333 1.0 
      0.19791667       0.00000000       0.19791667 1.0 
      0.18750000       0.00000000       0.18750000 1.0 
      0.17708333      -0.00000000       0.17708333 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15625000       0.00000000       0.15625000 1.0 
      0.14583333       0.00000000       0.14583333 1.0 
      0.13541667      -0.00000000       0.13541667 1.0 
      0.12500000      -0.00000000       0.12500000 1.0 
      0.11458333       0.00000000       0.11458333 1.0 
      0.10416667      -0.00000000       0.10416667 1.0 
      0.09375000      -0.00000000       0.09375000 1.0 
      0.08333333       0.00000000       0.08333333 1.0 
      0.07291667       0.00000000       0.07291667 1.0 
      0.06250000      -0.00000000       0.06250000 1.0 
      0.05208333       0.00000000       0.05208333 1.0 
      0.04166667       0.00000000       0.04166667 1.0 
      0.03125000       0.00000000       0.03125000 1.0 
      0.02083333      -0.00000000       0.02083333 1.0 
      0.01041667       0.00000000       0.01041667 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01219512       0.01219512 1.0 
      0.00000000       0.02439024       0.02439024 1.0 
      0.00000000       0.03658537       0.03658537 1.0 
      0.00000000       0.04878049       0.04878049 1.0 
      0.00000000       0.06097561       0.06097561 1.0 
      0.00000000       0.07317073       0.07317073 1.0 
      0.00000000       0.08536585       0.08536585 1.0 
      0.00000000       0.09756098       0.09756098 1.0 
      0.00000000       0.10975610       0.10975610 1.0 
      0.00000000       0.12195122       0.12195122 1.0 
      0.00000000       0.13414634       0.13414634 1.0 
      0.00000000       0.14634146       0.14634146 1.0 
      0.00000000       0.15853659       0.15853659 1.0 
      0.00000000       0.17073171       0.17073171 1.0 
      0.00000000       0.18292683       0.18292683 1.0 
      0.00000000       0.19512195       0.19512195 1.0 
      0.00000000       0.20731707       0.20731707 1.0 
      0.00000000       0.21951220       0.21951220 1.0 
      0.00000000       0.23170732       0.23170732 1.0 
      0.00000000       0.24390244       0.24390244 1.0 
      0.00000000       0.25609756       0.25609756 1.0 
      0.00000000       0.26829268       0.26829268 1.0 
      0.00000000       0.28048780       0.28048780 1.0 
      0.00000000       0.29268293       0.29268293 1.0 
      0.00000000       0.30487805       0.30487805 1.0 
      0.00000000       0.31707317       0.31707317 1.0 
      0.00000000       0.32926829       0.32926829 1.0 
      0.00000000       0.34146341       0.34146341 1.0 
      0.00000000       0.35365854       0.35365854 1.0 
      0.00000000       0.36585366       0.36585366 1.0 
      0.00000000       0.37804878       0.37804878 1.0 
      0.00000000       0.39024390       0.39024390 1.0 
      0.00000000       0.40243902       0.40243902 1.0 
      0.00000000       0.41463415       0.41463415 1.0 
      0.00000000       0.42682927       0.42682927 1.0 
      0.00000000       0.43902439       0.43902439 1.0 
      0.00000000       0.45121951       0.45121951 1.0 
      0.00000000       0.46341463       0.46341463 1.0 
      0.00000000       0.47560976       0.47560976 1.0 
      0.00000000       0.48780488       0.48780488 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49122807       0.49122807       0.49122807 1.0 
      0.48245614       0.48245614       0.48245614 1.0 
      0.47368421       0.47368421       0.47368421 1.0 
      0.46491228       0.46491228       0.46491228 1.0 
      0.45614035       0.45614035       0.45614035 1.0 
      0.44736842       0.44736842       0.44736842 1.0 
      0.43859649       0.43859649       0.43859649 1.0 
      0.42982456       0.42982456       0.42982456 1.0 
      0.42105263       0.42105263       0.42105263 1.0 
      0.41228070       0.41228070       0.41228070 1.0 
      0.40350877       0.40350877       0.40350877 1.0 
      0.39473684       0.39473684       0.39473684 1.0 
      0.38596491       0.38596491       0.38596491 1.0 
      0.37719298       0.37719298       0.37719298 1.0 
      0.36842105       0.36842105       0.36842105 1.0 
      0.35964912       0.35964912       0.35964912 1.0 
      0.35087719       0.35087719       0.35087719 1.0 
      0.34210526       0.34210526       0.34210526 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.32456140       0.32456140       0.32456140 1.0 
      0.31578947       0.31578947       0.31578947 1.0 
      0.30701754       0.30701754       0.30701754 1.0 
      0.29824561       0.29824561       0.29824561 1.0 
      0.28947368       0.28947368       0.28947368 1.0 
      0.28070175       0.28070175       0.28070175 1.0 
      0.27192982       0.27192982       0.27192982 1.0 
      0.26315789       0.26315789       0.26315789 1.0 
      0.25438596       0.25438596       0.25438596 1.0 
      0.24561404       0.24561404       0.24561404 1.0 
      0.23684211       0.23684211       0.23684211 1.0 
      0.22807018       0.22807018       0.22807018 1.0 
      0.21929825       0.21929825       0.21929825 1.0 
      0.21052632       0.21052632       0.21052632 1.0 
      0.20175439       0.20175439       0.20175439 1.0 
      0.19298246       0.19298246       0.19298246 1.0 
      0.18421053       0.18421053       0.18421053 1.0 
      0.17543860       0.17543860       0.17543860 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.15789474       0.15789474       0.15789474 1.0 
      0.14912281       0.14912281       0.14912281 1.0 
      0.14035088       0.14035088       0.14035088 1.0 
      0.13157895       0.13157895       0.13157895 1.0 
      0.12280702       0.12280702       0.12280702 1.0 
      0.11403509       0.11403509       0.11403509 1.0 
      0.10526316       0.10526316       0.10526316 1.0 
      0.09649123       0.09649123       0.09649123 1.0 
      0.08771930       0.08771930       0.08771930 1.0 
      0.07894737       0.07894737       0.07894737 1.0 
      0.07017544       0.07017544       0.07017544 1.0 
      0.06140351       0.06140351       0.06140351 1.0 
      0.05263158       0.05263158       0.05263158 1.0 
      0.04385965       0.04385965       0.04385965 1.0 
      0.03508772       0.03508772       0.03508772 1.0 
      0.02631579       0.02631579       0.02631579 1.0 
      0.01754386       0.01754386       0.01754386 1.0 
      0.00877193       0.00877193       0.00877193 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

