! Pwscf input file created with ciftopw.py 
! Compound: LiFe(GeO3)2
&control
         calculation     = 'bands'
         prefix          = 'LiFexGeO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.1161356791772139
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.7955913110527003
         celldm(4)       =            0.1429840681407939
         celldm(5)       =            0.1429840681407939
         celldm(6)       =            0.0857233780511191
         nat             =       20
         ntyp            =        4
         ecutwfc         =      103.00000000
         ecutrho         =      412.00000000
         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
Ge  72.6400 Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Fe  55.8450 Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
245
      0.00000000       0.00000000       0.00000000 1.0 
      0.01470588       0.01470588       0.00000000 1.0 
      0.02941176       0.02941176       0.00000000 1.0 
      0.04411765       0.04411765       0.00000000 1.0 
      0.05882353       0.05882353       0.00000000 1.0 
      0.07352941       0.07352941       0.00000000 1.0 
      0.08823529       0.08823529       0.00000000 1.0 
      0.10294118       0.10294118       0.00000000 1.0 
      0.11764706       0.11764706       0.00000000 1.0 
      0.13235294       0.13235294       0.00000000 1.0 
      0.14705882       0.14705882       0.00000000 1.0 
      0.16176471       0.16176471       0.00000000 1.0 
      0.17647059       0.17647059       0.00000000 1.0 
      0.19117647       0.19117647       0.00000000 1.0 
      0.20588235       0.20588235       0.00000000 1.0 
      0.22058824       0.22058824       0.00000000 1.0 
      0.23529412       0.23529412       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26470588       0.26470588       0.00000000 1.0 
      0.27941176       0.27941176       0.00000000 1.0 
      0.29411765       0.29411765       0.00000000 1.0 
      0.30882353       0.30882353       0.00000000 1.0 
      0.32352941       0.32352941       0.00000000 1.0 
      0.33823529       0.33823529       0.00000000 1.0 
      0.35294118       0.35294118       0.00000000 1.0 
      0.36764706       0.36764706       0.00000000 1.0 
      0.38235294       0.38235294       0.00000000 1.0 
      0.39705882       0.39705882       0.00000000 1.0 
      0.41176471       0.41176471       0.00000000 1.0 
      0.42647059       0.42647059       0.00000000 1.0 
      0.44117647       0.44117647       0.00000000 1.0 
      0.45588235       0.45588235       0.00000000 1.0 
      0.47058824       0.47058824       0.00000000 1.0 
      0.48529412       0.48529412       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.50283883       0.50283883       0.01579583 1.0 
      0.50567767       0.50567767       0.03159167 1.0 
      0.50851650       0.50851650       0.04738750 1.0 
      0.51135534       0.51135534       0.06318333 1.0 
      0.51419417       0.51419417       0.07897916 1.0 
      0.51703301       0.51703301       0.09477500 1.0 
      0.51987184       0.51987184       0.11057083 1.0 
      0.52271068       0.52271068       0.12636666 1.0 
      0.52554951       0.52554951       0.14216250 1.0 
      0.52838835       0.52838835       0.15795833 1.0 
      0.53122718       0.53122718       0.17375416 1.0 
      0.53406602       0.53406602       0.18954999 1.0 
      0.53690485       0.53690485       0.20534583 1.0 
      0.53974369       0.53974369       0.22114166 1.0 
      0.54258252       0.54258252       0.23693749 1.0 
      0.54542136       0.54542136       0.25273333 1.0 
      0.54826019       0.54826019       0.26852916 1.0 
      0.55109903       0.55109903       0.28432499 1.0 
      0.55393786       0.55393786       0.30012083 1.0 
      0.55677670       0.55677670       0.31591666 1.0 
      0.55961553       0.55961553       0.33171249 1.0 
      0.56245437       0.56245437       0.34750832 1.0 
      0.56529320       0.56529320       0.36330416 1.0 
      0.56813204       0.56813204       0.37909999 1.0 
      0.57097087       0.57097087       0.39489582 1.0 
      0.57380971       0.57380971       0.41069166 1.0 
      0.57380971       0.57380971       0.41069166 1.0 
      0.56560863       0.56560863       0.42061481 1.0 
      0.55740755       0.55740755       0.43053795 1.0 
      0.54920647       0.54920647       0.44046110 1.0 
      0.54100539       0.54100539       0.45038425 1.0 
      0.53280432       0.53280432       0.46030740 1.0 
      0.52460324       0.52460324       0.47023055 1.0 
      0.51640216       0.51640216       0.48015370 1.0 
      0.50820108       0.50820108       0.49007685 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.52746765       0.47253235       0.50000000 1.0 
      0.54120148       0.45879852       0.50000000 1.0 
      0.55493530       0.44506470       0.50000000 1.0 
      0.56866913       0.43133087       0.50000000 1.0 
      0.58240295       0.41759705       0.50000000 1.0 
      0.59613678       0.40386322       0.50000000 1.0 
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      0.37667666      -0.37667666       0.50000000 1.0 
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      0.32286571      -0.32286571       0.50000000 1.0 
      0.30941297      -0.30941297       0.50000000 1.0 
      0.29596023      -0.29596023       0.50000000 1.0 
      0.28250750      -0.28250750       0.50000000 1.0 
      0.26905476      -0.26905476       0.50000000 1.0 
      0.25560202      -0.25560202       0.50000000 1.0 
      0.24214928      -0.24214928       0.50000000 1.0 
      0.22869654      -0.22869654       0.50000000 1.0 
      0.21524381      -0.21524381       0.50000000 1.0 
      0.20179107      -0.20179107       0.50000000 1.0 
      0.18833833      -0.18833833       0.50000000 1.0 
      0.17488559      -0.17488559       0.50000000 1.0 
      0.16143285      -0.16143285       0.50000000 1.0 
      0.14798012      -0.14798012       0.50000000 1.0 
      0.13452738      -0.13452738       0.50000000 1.0 
      0.12107464      -0.12107464       0.50000000 1.0 
      0.10762190      -0.10762190       0.50000000 1.0 
      0.09416917      -0.09416917       0.50000000 1.0 
      0.08071643      -0.08071643       0.50000000 1.0 
      0.06726369      -0.06726369       0.50000000 1.0 
      0.05381095      -0.05381095       0.50000000 1.0 
      0.04035821      -0.04035821       0.50000000 1.0 
      0.02690548      -0.02690548       0.50000000 1.0 
      0.01345274      -0.01345274       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01469622       0.01469622       0.50307960 1.0 
      0.02939243       0.02939243       0.50615920 1.0 
      0.04408865       0.04408865       0.50923879 1.0 
      0.05878487       0.05878487       0.51231839 1.0 
      0.07348108       0.07348108       0.51539799 1.0 
      0.08817730       0.08817730       0.51847759 1.0 
      0.10287352       0.10287352       0.52155719 1.0 
      0.11756974       0.11756974       0.52463678 1.0 
      0.13226595       0.13226595       0.52771638 1.0 
      0.14696217       0.14696217       0.53079598 1.0 
      0.16165839       0.16165839       0.53387558 1.0 
      0.17635460       0.17635460       0.53695518 1.0 
      0.19105082       0.19105082       0.54003478 1.0 
      0.20574704       0.20574704       0.54311437 1.0 
      0.22044325       0.22044325       0.54619397 1.0 
      0.23513947       0.23513947       0.54927357 1.0 
      0.24983569       0.24983569       0.55235317 1.0 
      0.26453190       0.26453190       0.55543277 1.0 
      0.27922812       0.27922812       0.55851236 1.0 
      0.29392434       0.29392434       0.56159196 1.0 
      0.30862056       0.30862056       0.56467156 1.0 
      0.32331677       0.32331677       0.56775116 1.0 
      0.33801299       0.33801299       0.57083076 1.0 
      0.35270921       0.35270921       0.57391035 1.0 
      0.36740542       0.36740542       0.57698995 1.0 
      0.38210164       0.38210164       0.58006955 1.0 
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      0.41149407       0.41149407       0.58622875 1.0 
      0.42619029       0.42619029       0.58930834 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

