! Pwscf input file created with ciftopw.py 
! Compound: Ba2Cd(BO3)2
&control
         calculation     = 'bands'
         prefix          = 'Ba2CdxBO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.4151167843073154
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.1836464935674067
         celldm(4)       =            0.4112322349271552
         celldm(5)       =            0.4112322349271552
         celldm(6)       =            0.5266414829549664
         nat             =       11
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      639.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cd 112.4110 Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
298
      0.00000000       0.00000000       0.00000000 1.0 
      0.01351351       0.01351351      -0.00000000 1.0 
      0.02702703       0.02702703      -0.00000000 1.0 
      0.04054054       0.04054054      -0.00000000 1.0 
      0.05405405       0.05405405      -0.00000000 1.0 
      0.06756757       0.06756757       0.00000000 1.0 
      0.08108108       0.08108108      -0.00000000 1.0 
      0.09459459       0.09459459      -0.00000000 1.0 
      0.10810811       0.10810811      -0.00000000 1.0 
      0.12162162       0.12162162      -0.00000000 1.0 
      0.13513514       0.13513514       0.00000000 1.0 
      0.14864865       0.14864865       0.00000000 1.0 
      0.16216216       0.16216216      -0.00000000 1.0 
      0.17567568       0.17567568      -0.00000000 1.0 
      0.18918919       0.18918919      -0.00000000 1.0 
      0.20270270       0.20270270      -0.00000000 1.0 
      0.21621622       0.21621622      -0.00000000 1.0 
      0.22972973       0.22972973      -0.00000000 1.0 
      0.24324324       0.24324324      -0.00000000 1.0 
      0.25675676       0.25675676       0.00000000 1.0 
      0.27027027       0.27027027       0.00000000 1.0 
      0.28378378       0.28378378      -0.00000000 1.0 
      0.29729730       0.29729730       0.00000000 1.0 
      0.31081081       0.31081081      -0.00000000 1.0 
      0.32432432       0.32432432      -0.00000000 1.0 
      0.33783784       0.33783784       0.00000000 1.0 
      0.35135135       0.35135135      -0.00000000 1.0 
      0.36486486       0.36486486      -0.00000000 1.0 
      0.37837838       0.37837838      -0.00000000 1.0 
      0.39189189       0.39189189       0.00000000 1.0 
      0.40540541       0.40540541      -0.00000000 1.0 
      0.41891892       0.41891892      -0.00000000 1.0 
      0.43243243       0.43243243      -0.00000000 1.0 
      0.44594595       0.44594595      -0.00000000 1.0 
      0.45945946       0.45945946      -0.00000000 1.0 
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      0.50000000       0.50000000       0.00000000 1.0 
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      0.50673776       0.50673776       0.01939324 1.0 
      0.51347552       0.51347552       0.03878647 1.0 
      0.52021327       0.52021327       0.05817971 1.0 
      0.52695103       0.52695103       0.07757294 1.0 
      0.53368879       0.53368879       0.09696618 1.0 
      0.54042655       0.54042655       0.11635941 1.0 
      0.54716431       0.54716431       0.13575265 1.0 
      0.55390206       0.55390206       0.15514589 1.0 
      0.56063982       0.56063982       0.17453912 1.0 
      0.56737758       0.56737758       0.19393236 1.0 
      0.57411534       0.57411534       0.21332559 1.0 
      0.58085310       0.58085310       0.23271883 1.0 
      0.58085310       0.58085310       0.23271883 1.0 
      0.57659767       0.57659767       0.24678626 1.0 
      0.57234224       0.57234224       0.26085369 1.0 
      0.56808682       0.56808682       0.27492112 1.0 
      0.56383139       0.56383139       0.28898855 1.0 
      0.55957597       0.55957597       0.30305598 1.0 
      0.55532054       0.55532054       0.31712341 1.0 
      0.55106511       0.55106511       0.33119084 1.0 
      0.54680969       0.54680969       0.34525827 1.0 
      0.54255426       0.54255426       0.35932570 1.0 
      0.53829884       0.53829884       0.37339313 1.0 
      0.53404341       0.53404341       0.38746056 1.0 
      0.52978798       0.52978798       0.40152799 1.0 
      0.52553256       0.52553256       0.41559542 1.0 
      0.52127713       0.52127713       0.42966285 1.0 
      0.51702170       0.51702170       0.44373028 1.0 
      0.51276628       0.51276628       0.45779771 1.0 
      0.50851085       0.50851085       0.47186514 1.0 
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      0.50000000       0.50000000       0.50000000 1.0 
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      0.53378686       0.46621314       0.50000000 1.0 
      0.54223357       0.45776643       0.50000000 1.0 
      0.55068029       0.44931971       0.50000000 1.0 
      0.55912700       0.44087300       0.50000000 1.0 
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      0.61825400       0.38174600       0.50000000 1.0 
      0.62670072       0.37329928       0.50000000 1.0 
      0.63514743       0.36485257       0.50000000 1.0 
      0.64359415       0.35640585       0.50000000 1.0 
      0.65204086       0.34795914       0.50000000 1.0 
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      0.71116787       0.28883213       0.50000000 1.0 
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      0.28038542      -0.28038542       0.50000000 1.0 
      0.27188889      -0.27188889       0.50000000 1.0 
      0.26339236      -0.26339236       0.50000000 1.0 
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      0.23790278      -0.23790278       0.50000000 1.0 
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      0.19542014      -0.19542014       0.50000000 1.0 
      0.18692361      -0.18692361       0.50000000 1.0 
      0.17842709      -0.17842709       0.50000000 1.0 
      0.16993056      -0.16993056       0.50000000 1.0 
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      0.14444097      -0.14444097       0.50000000 1.0 
      0.13594445      -0.13594445       0.50000000 1.0 
      0.12744792      -0.12744792       0.50000000 1.0 
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      0.10195833      -0.10195833       0.50000000 1.0 
      0.09346181      -0.09346181       0.50000000 1.0 
      0.08496528      -0.08496528       0.50000000 1.0 
      0.07646875      -0.07646875       0.50000000 1.0 
      0.06797222      -0.06797222       0.50000000 1.0 
      0.05947570      -0.05947570       0.50000000 1.0 
      0.05097917      -0.05097917       0.50000000 1.0 
      0.04248264      -0.04248264       0.50000000 1.0 
      0.03398611      -0.03398611       0.50000000 1.0 
      0.02548958      -0.02548958       0.50000000 1.0 
      0.01699306      -0.01699306       0.50000000 1.0 
      0.00849653      -0.00849653       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
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