! Pwscf input file created with ciftopw.py 
! Compound: K2SrBe2F8
&control
         calculation     = 'bands'
         prefix          = 'K2SrBe2F8'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.1638905037591130
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.9999999999999999
         celldm(4)       =            0.7381564283049704
         celldm(5)       =            0.7381564283049704
         celldm(6)       =            0.7381564283049704
         nat             =       13
         ntyp            =        4
         ecutwfc         =       81.00000000
         ecutrho         =      871.00000000
         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
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Be   9.0122 Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
241
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571      -0.00000000       0.00000000 1.0 
      0.02857143      -0.00000000       0.00000000 1.0 
      0.04285714      -0.00000000       0.00000000 1.0 
      0.05714286      -0.00000000       0.00000000 1.0 
      0.07142857       0.00000000       0.00000000 1.0 
      0.08571429      -0.00000000       0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.11428571      -0.00000000       0.00000000 1.0 
      0.12857143       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000       0.00000000 1.0 
      0.15714286       0.00000000      -0.00000000 1.0 
      0.17142857      -0.00000000       0.00000000 1.0 
      0.18571429       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.21428571       0.00000000       0.00000000 1.0 
      0.22857143      -0.00000000       0.00000000 1.0 
      0.24285714       0.00000000       0.00000000 1.0 
      0.25714286       0.00000000       0.00000000 1.0 
      0.27142857       0.00000000       0.00000000 1.0 
      0.28571429       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31428571       0.00000000      -0.00000000 1.0 
      0.32857143       0.00000000       0.00000000 1.0 
      0.34285714      -0.00000000       0.00000000 1.0 
      0.35714286       0.00000000       0.00000000 1.0 
      0.37142857       0.00000000       0.00000000 1.0 
      0.38571429       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.41428571       0.00000000       0.00000000 1.0 
      0.42857143       0.00000000       0.00000000 1.0 
      0.44285714       0.00000000       0.00000000 1.0 
      0.45714286      -0.00000000       0.00000000 1.0 
      0.47142857       0.00000000      -0.00000000 1.0 
      0.48571429       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00841305      -0.00841305 1.0 
      0.50000000       0.01682609      -0.01682609 1.0 
      0.50000000       0.02523914      -0.02523914 1.0 
      0.50000000       0.03365218      -0.03365218 1.0 
      0.50000000       0.04206523      -0.04206523 1.0 
      0.50000000       0.05047827      -0.05047827 1.0 
      0.50000000       0.05889132      -0.05889132 1.0 
      0.50000000       0.06730437      -0.06730437 1.0 
      0.50000000       0.07571741      -0.07571741 1.0 
      0.50000000       0.08413046      -0.08413046 1.0 
      0.50000000       0.09254350      -0.09254350 1.0 
      0.50000000       0.10095655      -0.10095655 1.0 
      0.50000000       0.10936959      -0.10936959 1.0 
      0.50000000       0.11778264      -0.11778264 1.0 
      0.50000000       0.12619569      -0.12619569 1.0 
      0.50000000       0.13460873      -0.13460873 1.0 
      0.50000000       0.14302178      -0.14302178 1.0 
      0.50000000       0.15143482      -0.15143482 1.0 
      0.50000000       0.15984787      -0.15984787 1.0 
      0.50000000       0.16826091      -0.16826091 1.0 
      0.50000000       0.17667396      -0.17667396 1.0 
      0.50000000       0.18508701      -0.18508701 1.0 
      0.50000000       0.19350005      -0.19350005 1.0 
      0.50000000       0.20191310      -0.20191310 1.0 
      0.79808690       0.50000000       0.20191310 1.0 
      0.78957013       0.50000000       0.21042987 1.0 
      0.78105336       0.50000000       0.21894664 1.0 
      0.77253660       0.50000000       0.22746340 1.0 
      0.76401983       0.50000000       0.23598017 1.0 
      0.75550306       0.50000000       0.24449694 1.0 
      0.74698629       0.50000000       0.25301371 1.0 
      0.73846952       0.50000000       0.26153048 1.0 
      0.72995275       0.50000000       0.27004725 1.0 
      0.72143598       0.50000000       0.27856402 1.0 
      0.71291922       0.50000000       0.28708078 1.0 
      0.70440245       0.50000000       0.29559755 1.0 
      0.69588568       0.50000000       0.30411432 1.0 
      0.68736891       0.50000000       0.31263109 1.0 
      0.67885214       0.50000000       0.32114786 1.0 
      0.67033537       0.50000000       0.32966463 1.0 
      0.66181860       0.50000000       0.33818140 1.0 
      0.65330184       0.50000000       0.34669816 1.0 
      0.64478507       0.50000000       0.35521493 1.0 
      0.63626830       0.50000000       0.36373170 1.0 
      0.62775153       0.50000000       0.37224847 1.0 
      0.61923476       0.50000000       0.38076524 1.0 
      0.61071799       0.50000000       0.38928201 1.0 
      0.60220122       0.50000000       0.39779878 1.0 
      0.59368445       0.50000000       0.40631555 1.0 
      0.58516769       0.50000000       0.41483231 1.0 
      0.57665092       0.50000000       0.42334908 1.0 
      0.56813415       0.50000000       0.43186585 1.0 
      0.55961738       0.50000000       0.44038262 1.0 
      0.55110061       0.50000000       0.44889939 1.0 
      0.54258384       0.50000000       0.45741616 1.0 
      0.53406707       0.50000000       0.46593293 1.0 
      0.52555031       0.50000000       0.47444969 1.0 
      0.51703354       0.50000000       0.48296646 1.0 
      0.50851677       0.50000000       0.49148323 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 
      0.00855992       0.00000000      -0.00855992 1.0 
      0.01711983       0.00000000      -0.01711983 1.0 
      0.02567975       0.00000000      -0.02567975 1.0 
      0.03423966       0.00000000      -0.03423966 1.0 
      0.04279958       0.00000000      -0.04279958 1.0 
      0.05135949       0.00000000      -0.05135949 1.0 
      0.05991941       0.00000000      -0.05991941 1.0 
      0.06847933       0.00000000      -0.06847933 1.0 
      0.07703924       0.00000000      -0.07703924 1.0 
      0.08559916       0.00000000      -0.08559916 1.0 
      0.09415907       0.00000000      -0.09415907 1.0 
      0.10271899       0.00000000      -0.10271899 1.0 
      0.11127891       0.00000000      -0.11127891 1.0 
      0.11983882       0.00000000      -0.11983882 1.0 
      0.12839874       0.00000000      -0.12839874 1.0 
      0.13695865       0.00000000      -0.13695865 1.0 
      0.14551857       0.00000000      -0.14551857 1.0 
      0.15407848       0.00000000      -0.15407848 1.0 
      0.16263840       0.00000000      -0.16263840 1.0 
      0.17119832       0.00000000      -0.17119832 1.0 
      0.17975823       0.00000000      -0.17975823 1.0 
      0.18831815       0.00000000      -0.18831815 1.0 
      0.19687806       0.00000000      -0.19687806 1.0 
      0.20543798       0.00000000      -0.20543798 1.0 
      0.21399790       0.00000000      -0.21399790 1.0 
      0.22255781       0.00000000      -0.22255781 1.0 
      0.23111773       0.00000000      -0.23111773 1.0 
      0.23967764       0.00000000      -0.23967764 1.0 
      0.24823756       0.00000000      -0.24823756 1.0 
      0.25679747       0.00000000      -0.25679747 1.0 
      0.26535739       0.00000000      -0.26535739 1.0 
      0.27391731       0.00000000      -0.27391731 1.0 
      0.28247722       0.00000000      -0.28247722 1.0 
      0.29103714       0.00000000      -0.29103714 1.0 
      0.29959705       0.00000000      -0.29959705 1.0 
      0.30815697       0.00000000      -0.30815697 1.0 
      0.31671689       0.00000000      -0.31671689 1.0 
      0.32527680       0.00000000      -0.32527680 1.0 
      0.33383672       0.00000000      -0.33383672 1.0 
      0.34239663       0.00000000      -0.34239663 1.0 
      0.35095655       0.00000000      -0.35095655 1.0 
      0.64904345       0.35095655       0.00000000 1.0 
      0.64076326       0.35923674       0.00000000 1.0 
      0.63248307       0.36751693       0.00000000 1.0 
      0.62420288       0.37579712       0.00000000 1.0 
      0.61592268       0.38407732       0.00000000 1.0 
      0.60764249       0.39235751       0.00000000 1.0 
      0.59936230       0.40063770       0.00000000 1.0 
      0.59108211       0.40891789       0.00000000 1.0 
      0.58280192       0.41719808       0.00000000 1.0 
      0.57452173       0.42547827       0.00000000 1.0 
      0.56624153       0.43375847       0.00000000 1.0 
      0.55796134       0.44203866       0.00000000 1.0 
      0.54968115       0.45031885       0.00000000 1.0 
      0.54140096       0.45859904       0.00000000 1.0 
      0.53312077       0.46687923       0.00000000 1.0 
      0.52484058       0.47515942       0.00000000 1.0 
      0.51656038       0.48343962       0.00000000 1.0 
      0.50828019       0.49171981       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.51656038       0.51656038       0.02243479 1.0 
      0.53312077       0.53312077       0.04486958 1.0 
      0.54968115       0.54968115       0.06730437 1.0 
      0.56624153       0.56624153       0.08973915 1.0 
      0.58280192       0.58280192       0.11217394 1.0 
      0.59936230       0.59936230       0.13460873 1.0 
      0.61592268       0.61592268       0.15704352 1.0 
      0.63248307       0.63248307       0.17947831 1.0 
      0.64904345       0.64904345       0.20191310 1.0 
      0.64904345       0.64904345       0.20191310 1.0 
      0.64407534       0.64407534       0.21184933 1.0 
      0.63910722       0.63910722       0.22178556 1.0 
      0.63413911       0.63413911       0.23172179 1.0 
      0.62917099       0.62917099       0.24165802 1.0 
      0.62420288       0.62420288       0.25159425 1.0 
      0.61923476       0.61923476       0.26153048 1.0 
      0.61426665       0.61426665       0.27146671 1.0 
      0.60929853       0.60929853       0.28140294 1.0 
      0.60433042       0.60433042       0.29133917 1.0 
      0.59936230       0.59936230       0.30127540 1.0 
      0.59439419       0.59439419       0.31121163 1.0 
      0.58942607       0.58942607       0.32114786 1.0 
      0.58445796       0.58445796       0.33108409 1.0 
      0.57948984       0.57948984       0.34102032 1.0 
      0.57452173       0.57452173       0.35095655 1.0 
      0.56955361       0.56955361       0.36089278 1.0 
      0.56458550       0.56458550       0.37082901 1.0 
      0.55961738       0.55961738       0.38076524 1.0 
      0.55464927       0.55464927       0.39070147 1.0 
      0.54968115       0.54968115       0.40063770 1.0 
      0.54471304       0.54471304       0.41057393 1.0 
      0.53974492       0.53974492       0.42051016 1.0 
      0.53477681       0.53477681       0.43044639 1.0 
      0.52980869       0.52980869       0.44038262 1.0 
      0.52484058       0.52484058       0.45031885 1.0 
      0.51987246       0.51987246       0.46025508 1.0 
      0.51490435       0.51490435       0.47019131 1.0 
      0.50993623       0.50993623       0.48012754 1.0 
      0.50496812       0.50496812       0.49006377 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51863043       0.02193478       0.02193478 1.0 
      0.53726086       0.04386957       0.04386957 1.0 
      0.55589129       0.06580435       0.06580435 1.0 
      0.57452173       0.08773914       0.08773914 1.0 
      0.59315216       0.10967392       0.10967392 1.0 
      0.61178259       0.13160871       0.13160871 1.0 
      0.63041302       0.15354349       0.15354349 1.0 
      0.64904345       0.17547827       0.17547827 1.0 
      0.66767388       0.19741306       0.19741306 1.0 
      0.68630431       0.21934784       0.21934784 1.0 
      0.70493475       0.24128263       0.24128263 1.0 
      0.72356518       0.26321741       0.26321741 1.0 
      0.74219561       0.28515220       0.28515220 1.0 
      0.76082604       0.30708698       0.30708698 1.0 
      0.77945647       0.32902176       0.32902176 1.0 
      0.79808690       0.35095655       0.35095655 1.0 

