! Pwscf input file created with ciftopw.py 
! Compound: Mg(ClO4)2
&control
         calculation     = 'bands'
         prefix          = 'MgxClO4x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.9061826973509088
         celldm(2)       =            0.5770393682452220
         celldm(3)       =            0.9353489703808514
         celldm(4)       =            0.4813008945033787
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       22
         ntyp            =        3
         ecutwfc         =       59.00000000
         ecutrho         =      386.00000000
         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 
Cl  35.4530 Cl.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
222
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02173913 1.0 
      0.00000000       0.00000000       0.04347826 1.0 
      0.00000000       0.00000000       0.06521739 1.0 
      0.00000000       0.00000000       0.08695652 1.0 
      0.00000000       0.00000000       0.10869565 1.0 
      0.00000000       0.00000000       0.13043478 1.0 
      0.00000000       0.00000000       0.15217391 1.0 
      0.00000000       0.00000000       0.17391304 1.0 
      0.00000000       0.00000000       0.19565217 1.0 
      0.00000000       0.00000000       0.21739130 1.0 
      0.00000000       0.00000000       0.23913043 1.0 
      0.00000000       0.00000000       0.26086957 1.0 
      0.00000000       0.00000000       0.28260870 1.0 
      0.00000000       0.00000000       0.30434783 1.0 
      0.00000000       0.00000000       0.32608696 1.0 
      0.00000000       0.00000000       0.34782609 1.0 
      0.00000000       0.00000000       0.36956522 1.0 
      0.00000000       0.00000000       0.39130435 1.0 
      0.00000000       0.00000000       0.41304348 1.0 
      0.00000000       0.00000000       0.43478261 1.0 
      0.00000000       0.00000000       0.45652174 1.0 
      0.00000000       0.00000000       0.47826087 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01525074       0.51189805 1.0 
      0.00000000       0.03050148       0.52379610 1.0 
      0.00000000       0.04575222       0.53569415 1.0 
      0.00000000       0.06100296       0.54759220 1.0 
      0.00000000       0.07625370       0.55949025 1.0 
      0.00000000       0.09150444       0.57138830 1.0 
      0.00000000       0.10675518       0.58328635 1.0 
      0.00000000       0.12200592       0.59518440 1.0 
      0.00000000       0.13725666       0.60708246 1.0 
      0.00000000       0.15250740       0.61898051 1.0 
      0.00000000       0.16775814       0.63087856 1.0 
      0.00000000       0.18300888       0.64277661 1.0 
      0.00000000       0.19825962       0.65467466 1.0 
      0.00000000       0.21351036       0.66657271 1.0 
      0.00000000       0.22876110       0.67847076 1.0 
      0.00000000       0.24401184       0.69036881 1.0 
      0.00000000       0.25926258       0.70226686 1.0 
      0.00000000       0.27451332       0.71416491 1.0 
      0.00000000       0.28976406       0.72606296 1.0 
      0.00000000       0.30501480       0.73796101 1.0 
      0.00000000       0.32026554       0.74985906 1.0 
      0.00000000       0.33551628       0.76175711 1.0 
      0.00000000       0.35076702       0.77365516 1.0 
      0.00000000       0.36601776       0.78555321 1.0 
      0.00000000       0.38126850       0.79745126 1.0 
      0.00000000       0.39651924       0.80934932 1.0 
      0.00000000       0.41176998       0.82124737 1.0 
      0.00000000       0.42702072       0.83314542 1.0 
      0.00000000       0.44227146       0.84504347 1.0 
      0.00000000       0.45752220       0.85694152 1.0 
      0.00000000       0.45752220       0.85694152 1.0 
      0.00000000       0.45988207       0.83711143 1.0 
      0.00000000       0.46224195       0.81728135 1.0 
      0.00000000       0.46460183       0.79745126 1.0 
      0.00000000       0.46696171       0.77762118 1.0 
      0.00000000       0.46932159       0.75779110 1.0 
      0.00000000       0.47168146       0.73796101 1.0 
      0.00000000       0.47404134       0.71813093 1.0 
      0.00000000       0.47640122       0.69830084 1.0 
      0.00000000       0.47876110       0.67847076 1.0 
      0.00000000       0.48112098       0.65864067 1.0 
      0.00000000       0.48348085       0.63881059 1.0 
      0.00000000       0.48584073       0.61898051 1.0 
      0.00000000       0.48820061       0.59915042 1.0 
      0.00000000       0.49056049       0.57932034 1.0 
      0.00000000       0.49292037       0.55949025 1.0 
      0.00000000       0.49528024       0.53966017 1.0 
      0.00000000       0.49764012       0.51983008 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02631579       0.50000000       0.50000000 1.0 
      0.05263158       0.50000000       0.50000000 1.0 
      0.07894737       0.50000000       0.50000000 1.0 
      0.10526316       0.50000000       0.50000000 1.0 
      0.13157895       0.50000000       0.50000000 1.0 
      0.15789474       0.50000000       0.50000000 1.0 
      0.18421053       0.50000000       0.50000000 1.0 
      0.21052632       0.50000000       0.50000000 1.0 
      0.23684211       0.50000000       0.50000000 1.0 
      0.26315789       0.50000000       0.50000000 1.0 
      0.28947368       0.50000000       0.50000000 1.0 
      0.31578947       0.50000000       0.50000000 1.0 
      0.34210526       0.50000000       0.50000000 1.0 
      0.36842105       0.50000000       0.50000000 1.0 
      0.39473684       0.50000000       0.50000000 1.0 
      0.42105263       0.50000000       0.50000000 1.0 
      0.44736842       0.50000000       0.50000000 1.0 
      0.47368421       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50235988       0.48016992 1.0 
      0.50000000       0.50471976       0.46033983 1.0 
      0.50000000       0.50707963       0.44050975 1.0 
      0.50000000       0.50943951       0.42067966 1.0 
      0.50000000       0.51179939       0.40084958 1.0 
      0.50000000       0.51415927       0.38101949 1.0 
      0.50000000       0.51651915       0.36118941 1.0 
      0.50000000       0.51887902       0.34135933 1.0 
      0.50000000       0.52123890       0.32152924 1.0 
      0.50000000       0.52359878       0.30169916 1.0 
      0.50000000       0.52595866       0.28186907 1.0 
      0.50000000       0.52831854       0.26203899 1.0 
      0.50000000       0.53067841       0.24220890 1.0 
      0.50000000       0.53303829       0.22237882 1.0 
      0.50000000       0.53539817       0.20254874 1.0 
      0.50000000       0.53775805       0.18271865 1.0 
      0.50000000       0.54011793       0.16288857 1.0 
      0.50000000       0.54247780       0.14305848 1.0 
      0.50000000       0.54247780       0.14305848 1.0 
      0.50000000       0.53539817       0.11921540 1.0 
      0.50000000       0.52831854       0.09537232 1.0 
      0.50000000       0.52123890       0.07152924 1.0 
      0.50000000       0.51415927       0.04768616 1.0 
      0.50000000       0.50707963       0.02384308 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47368421       0.50000000      -0.00000000 1.0 
      0.44736842       0.50000000      -0.00000000 1.0 
      0.42105263       0.50000000      -0.00000000 1.0 
      0.39473684       0.50000000      -0.00000000 1.0 
      0.36842105       0.50000000      -0.00000000 1.0 
      0.34210526       0.50000000      -0.00000000 1.0 
      0.31578947       0.50000000      -0.00000000 1.0 
      0.28947368       0.50000000      -0.00000000 1.0 
      0.26315789       0.50000000      -0.00000000 1.0 
      0.23684211       0.50000000      -0.00000000 1.0 
      0.21052632       0.50000000      -0.00000000 1.0 
      0.18421053       0.50000000      -0.00000000 1.0 
      0.15789474       0.50000000      -0.00000000 1.0 
      0.13157895       0.50000000      -0.00000000 1.0 
      0.10526316       0.50000000      -0.00000000 1.0 
      0.07894737       0.50000000      -0.00000000 1.0 
      0.05263158       0.50000000      -0.00000000 1.0 
      0.02631579       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50707963       0.02384308 1.0 
      0.00000000       0.51415927       0.04768616 1.0 
      0.00000000       0.52123890       0.07152924 1.0 
      0.00000000       0.52831854       0.09537232 1.0 
      0.00000000       0.53539817       0.11921540 1.0 
      0.00000000       0.54247780       0.14305848 1.0 
      0.50000000       0.45752220       0.85694152 1.0 
      0.50000000       0.44227146       0.84504347 1.0 
      0.50000000       0.42702072       0.83314542 1.0 
      0.50000000       0.41176998       0.82124737 1.0 
      0.50000000       0.39651924       0.80934932 1.0 
      0.50000000       0.38126850       0.79745126 1.0 
      0.50000000       0.36601776       0.78555321 1.0 
      0.50000000       0.35076702       0.77365516 1.0 
      0.50000000       0.33551628       0.76175711 1.0 
      0.50000000       0.32026554       0.74985906 1.0 
      0.50000000       0.30501480       0.73796101 1.0 
      0.50000000       0.28976406       0.72606296 1.0 
      0.50000000       0.27451332       0.71416491 1.0 
      0.50000000       0.25926258       0.70226686 1.0 
      0.50000000       0.24401184       0.69036881 1.0 
      0.50000000       0.22876110       0.67847076 1.0 
      0.50000000       0.21351036       0.66657271 1.0 
      0.50000000       0.19825962       0.65467466 1.0 
      0.50000000       0.18300888       0.64277661 1.0 
      0.50000000       0.16775814       0.63087856 1.0 
      0.50000000       0.15250740       0.61898051 1.0 
      0.50000000       0.13725666       0.60708246 1.0 
      0.50000000       0.12200592       0.59518440 1.0 
      0.50000000       0.10675518       0.58328635 1.0 
      0.50000000       0.09150444       0.57138830 1.0 
      0.50000000       0.07625370       0.55949025 1.0 
      0.50000000       0.06100296       0.54759220 1.0 
      0.50000000       0.04575222       0.53569415 1.0 
      0.50000000       0.03050148       0.52379610 1.0 
      0.50000000       0.01525074       0.51189805 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47826087 1.0 
      0.50000000       0.00000000       0.45652174 1.0 
      0.50000000       0.00000000       0.43478261 1.0 
      0.50000000       0.00000000       0.41304348 1.0 
      0.50000000       0.00000000       0.39130435 1.0 
      0.50000000       0.00000000       0.36956522 1.0 
      0.50000000       0.00000000       0.34782609 1.0 
      0.50000000       0.00000000       0.32608696 1.0 
      0.50000000       0.00000000       0.30434783 1.0 
      0.50000000       0.00000000       0.28260870 1.0 
      0.50000000       0.00000000       0.26086957 1.0 
      0.50000000       0.00000000       0.23913043 1.0 
      0.50000000       0.00000000       0.21739130 1.0 
      0.50000000       0.00000000       0.19565217 1.0 
      0.50000000       0.00000000       0.17391304 1.0 
      0.50000000       0.00000000       0.15217391 1.0 
      0.50000000       0.00000000       0.13043478 1.0 
      0.50000000       0.00000000       0.10869565 1.0 
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      0.50000000       0.00000000       0.02173913 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02631579       0.00000000       0.50000000 1.0 
      0.05263158       0.00000000       0.50000000 1.0 
      0.07894737       0.00000000       0.50000000 1.0 
      0.10526316       0.00000000       0.50000000 1.0 
      0.13157895       0.00000000       0.50000000 1.0 
      0.15789474       0.00000000       0.50000000 1.0 
      0.18421053       0.00000000       0.50000000 1.0 
      0.21052632       0.00000000       0.50000000 1.0 
      0.23684211       0.00000000       0.50000000 1.0 
      0.26315789       0.00000000       0.50000000 1.0 
      0.28947368       0.00000000       0.50000000 1.0 
      0.31578947       0.00000000       0.50000000 1.0 
      0.34210526       0.00000000       0.50000000 1.0 
      0.36842105       0.00000000       0.50000000 1.0 
      0.39473684       0.00000000       0.50000000 1.0 
      0.42105263       0.00000000       0.50000000 1.0 
      0.44736842       0.00000000       0.50000000 1.0 
      0.47368421       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

