! 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)       =           12.6075213531789139
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8294994950048600
         celldm(4)       =            0.2567943223753704
         celldm(5)       =            0.2567943223753704
         celldm(6)       =            0.1450718666983512
         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
238
      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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      0.50523107       0.50523107       0.01689745 1.0 
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      0.51569321       0.51569321       0.05069235 1.0 
      0.52092428       0.52092428       0.06758980 1.0 
      0.52615535       0.52615535       0.08448725 1.0 
      0.53138641       0.53138641       0.10138470 1.0 
      0.53661748       0.53661748       0.11828215 1.0 
      0.54184855       0.54184855       0.13517960 1.0 
      0.54707962       0.54707962       0.15207705 1.0 
      0.55231069       0.55231069       0.16897450 1.0 
      0.55754176       0.55754176       0.18587195 1.0 
      0.56277283       0.56277283       0.20276940 1.0 
      0.56800390       0.56800390       0.21966685 1.0 
      0.57323497       0.57323497       0.23656430 1.0 
      0.57846604       0.57846604       0.25346175 1.0 
      0.58369711       0.58369711       0.27035920 1.0 
      0.58892817       0.58892817       0.28725665 1.0 
      0.59415924       0.59415924       0.30415410 1.0 
      0.59939031       0.59939031       0.32105155 1.0 
      0.60462138       0.60462138       0.33794899 1.0 
      0.60985245       0.60985245       0.35484644 1.0 
      0.60985245       0.60985245       0.35484644 1.0 
      0.60200585       0.60200585       0.36521456 1.0 
      0.59415924       0.59415924       0.37558267 1.0 
      0.58631264       0.58631264       0.38595078 1.0 
      0.57846604       0.57846604       0.39631889 1.0 
      0.57061943       0.57061943       0.40668700 1.0 
      0.56277283       0.56277283       0.41705511 1.0 
      0.55492623       0.55492623       0.42742322 1.0 
      0.54707962       0.54707962       0.43779133 1.0 
      0.53923302       0.53923302       0.44815944 1.0 
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      0.50784660       0.50784660       0.48963189 1.0 
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      0.53915242       0.46084758       0.50000000 1.0 
      0.55220323       0.44779677       0.50000000 1.0 
      0.56525403       0.43474597       0.50000000 1.0 
      0.57830484       0.42169516       0.50000000 1.0 
      0.59135565       0.40864435       0.50000000 1.0 
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      0.33033951      -0.33033951       0.50000000 1.0 
      0.31657537      -0.31657537       0.50000000 1.0 
      0.30281122      -0.30281122       0.50000000 1.0 
      0.28904707      -0.28904707       0.50000000 1.0 
      0.27528293      -0.27528293       0.50000000 1.0 
      0.26151878      -0.26151878       0.50000000 1.0 
      0.24775463      -0.24775463       0.50000000 1.0 
      0.23399049      -0.23399049       0.50000000 1.0 
      0.22022634      -0.22022634       0.50000000 1.0 
      0.20646219      -0.20646219       0.50000000 1.0 
      0.19269805      -0.19269805       0.50000000 1.0 
      0.17893390      -0.17893390       0.50000000 1.0 
      0.16516976      -0.16516976       0.50000000 1.0 
      0.15140561      -0.15140561       0.50000000 1.0 
      0.13764146      -0.13764146       0.50000000 1.0 
      0.12387732      -0.12387732       0.50000000 1.0 
      0.11011317      -0.11011317       0.50000000 1.0 
      0.09634902      -0.09634902       0.50000000 1.0 
      0.08258488      -0.08258488       0.50000000 1.0 
      0.06882073      -0.06882073       0.50000000 1.0 
      0.05505659      -0.05505659       0.50000000 1.0 
      0.04129244      -0.04129244       0.50000000 1.0 
      0.02752829      -0.02752829       0.50000000 1.0 
      0.01376415      -0.01376415       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01560590       0.01560590       0.50580614 1.0 
      0.03121180       0.03121180       0.51161228 1.0 
      0.04681771       0.04681771       0.51741843 1.0 
      0.06242361       0.06242361       0.52322457 1.0 
      0.07802951       0.07802951       0.52903071 1.0 
      0.09363541       0.09363541       0.53483685 1.0 
      0.10924131       0.10924131       0.54064300 1.0 
      0.12484722       0.12484722       0.54644914 1.0 
      0.14045312       0.14045312       0.55225528 1.0 
      0.15605902       0.15605902       0.55806142 1.0 
      0.17166492       0.17166492       0.56386756 1.0 
      0.18727082       0.18727082       0.56967371 1.0 
      0.20287673       0.20287673       0.57547985 1.0 
      0.21848263       0.21848263       0.58128599 1.0 
      0.23408853       0.23408853       0.58709213 1.0 
      0.24969443       0.24969443       0.59289828 1.0 
      0.26530033       0.26530033       0.59870442 1.0 
      0.28090624       0.28090624       0.60451056 1.0 
      0.29651214       0.29651214       0.61031670 1.0 
      0.31211804       0.31211804       0.61612284 1.0 
      0.32772394       0.32772394       0.62192899 1.0 
      0.34332984       0.34332984       0.62773513 1.0 
      0.35893575       0.35893575       0.63354127 1.0 
      0.37454165       0.37454165       0.63934741 1.0 
      0.39014755       0.39014755       0.64515356 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

