! Pwscf input file created with ciftopw.py 
! Compound: LiGeBO4
&control
         calculation     = 'bands'
         prefix          = 'LiGeBO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.8632412752808154
         celldm(2)       =            0.9995656886674670
         celldm(3)       =            0.9600511432573775
         celldm(4)       =            0.4797816609411535
         celldm(5)       =            0.4804778569287125
         celldm(6)       =            0.5389507565669895
         nat             =        7
         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 
Li   6.9410 Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
453
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      0.50000000       0.70700680       0.20700680 1.0 
      0.50000000       0.69714933       0.19714933 1.0 
      0.50000000       0.68729186       0.18729186 1.0 
      0.50000000       0.67743440       0.17743440 1.0 
      0.50000000       0.66757693       0.16757693 1.0 
      0.50000000       0.65771946       0.15771946 1.0 
      0.50000000       0.64786200       0.14786200 1.0 
      0.50000000       0.63800453       0.13800453 1.0 
      0.50000000       0.62814706       0.12814706 1.0 
      0.50000000       0.61828960       0.11828960 1.0 
      0.50000000       0.60843213       0.10843213 1.0 
      0.50000000       0.59857466       0.09857466 1.0 
      0.50000000       0.58871720       0.08871720 1.0 
      0.50000000       0.57885973       0.07885973 1.0 
      0.50000000       0.56900227       0.06900227 1.0 
      0.50000000       0.55914480       0.05914480 1.0 
      0.50000000       0.54928733       0.04928733 1.0 
      0.50000000       0.53942987       0.03942987 1.0 
      0.50000000       0.52957240       0.02957240 1.0 
      0.50000000       0.51971493       0.01971493 1.0 
      0.50000000       0.50985747       0.00985747 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
      0.01084562       0.51084562       0.50000000 1.0 
      0.02169124       0.52169124       0.50000000 1.0 
      0.03253686       0.53253686       0.50000000 1.0 
      0.04338249       0.54338249       0.50000000 1.0 
      0.05422811       0.55422811       0.50000000 1.0 
      0.06507373       0.56507373       0.50000000 1.0 
      0.07591935       0.57591935       0.50000000 1.0 
      0.08676497       0.58676497       0.50000000 1.0 
      0.09761059       0.59761059       0.50000000 1.0 
      0.10845621       0.60845621       0.50000000 1.0 
      0.11930184       0.61930184       0.50000000 1.0 
      0.13014746       0.63014746       0.50000000 1.0 
      0.14099308       0.64099308       0.50000000 1.0 
      0.15183870       0.65183870       0.50000000 1.0 
      0.16268432       0.66268432       0.50000000 1.0 
      0.17352994       0.67352994       0.50000000 1.0 
      0.18437556       0.68437556       0.50000000 1.0 
      0.19522119       0.69522119       0.50000000 1.0 
      0.20606681       0.70606681       0.50000000 1.0 
      0.21691243       0.71691243       0.50000000 1.0 
      0.22775805       0.72775805       0.50000000 1.0 
      0.23860367       0.73860367       0.50000000 1.0 
      0.24944929       0.74944929       0.50000000 1.0 
      0.75055071       0.25055071       0.50000000 1.0 
      0.73965720       0.23965720       0.50000000 1.0 
      0.72876369       0.22876369       0.50000000 1.0 
      0.71787018       0.21787018       0.50000000 1.0 
      0.70697667       0.20697667       0.50000000 1.0 
      0.69608316       0.19608316       0.50000000 1.0 
      0.68518965       0.18518965       0.50000000 1.0 
      0.67429614       0.17429614       0.50000000 1.0 
      0.66340263       0.16340263       0.50000000 1.0 
      0.65250913       0.15250913       0.50000000 1.0 
      0.64161562       0.14161562       0.50000000 1.0 
      0.63072211       0.13072211       0.50000000 1.0 
      0.61982860       0.11982860       0.50000000 1.0 
      0.60893509       0.10893509       0.50000000 1.0 
      0.59804158       0.09804158       0.50000000 1.0 
      0.58714807       0.08714807       0.50000000 1.0 
      0.57625456       0.07625456       0.50000000 1.0 
      0.56536105       0.06536105       0.50000000 1.0 
      0.55446754       0.05446754       0.50000000 1.0 
      0.54357404       0.04357404       0.50000000 1.0 
      0.53268053       0.03268053       0.50000000 1.0 
      0.52178702       0.02178702       0.50000000 1.0 
      0.51089351       0.01089351       0.50000000 1.0 
      0.50000000      -0.00000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48809524       0.48809524       0.48809524 1.0 
      0.47619048       0.47619048       0.47619048 1.0 
      0.46428571       0.46428571       0.46428571 1.0 
      0.45238095       0.45238095       0.45238095 1.0 
      0.44047619       0.44047619       0.44047619 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41666667       0.41666667       0.41666667 1.0 
      0.40476190       0.40476190       0.40476190 1.0 
      0.39285714       0.39285714       0.39285714 1.0 
      0.38095238       0.38095238       0.38095238 1.0 
      0.36904762       0.36904762       0.36904762 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.34523810       0.34523810       0.34523810 1.0 
      0.33333333       0.33333333       0.33333333 1.0 
      0.32142857       0.32142857       0.32142857 1.0 
      0.30952381       0.30952381       0.30952381 1.0 
      0.29761905       0.29761905       0.29761905 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.27380952       0.27380952       0.27380952 1.0 
      0.26190476       0.26190476       0.26190476 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23809524       0.23809524       0.23809524 1.0 
      0.22619048       0.22619048       0.22619048 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.20238095       0.20238095       0.20238095 1.0 
      0.19047619       0.19047619       0.19047619 1.0 
      0.17857143       0.17857143       0.17857143 1.0 
      0.16666667       0.16666667       0.16666667 1.0 
      0.15476190       0.15476190       0.15476190 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.13095238       0.13095238       0.13095238 1.0 
      0.11904762       0.11904762       0.11904762 1.0 
      0.10714286       0.10714286       0.10714286 1.0 
      0.09523810       0.09523810       0.09523810 1.0 
      0.08333333       0.08333333       0.08333333 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05952381       0.05952381       0.05952381 1.0 
      0.04761905       0.04761905       0.04761905 1.0 
      0.03571429       0.03571429       0.03571429 1.0 
      0.02380952       0.02380952       0.02380952 1.0 
      0.01190476       0.01190476       0.01190476 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

