! Pwscf input file created with ciftopw.py 
! Compound: Ba7Al10
&control
         calculation     = 'bands'
         prefix          = 'Ba7Al10'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           31.4323303634376074
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.9340189710928137
         celldm(5)       =            0.9340189710928137
         celldm(6)       =            0.9340189710928137
         nat             =       17
         ntyp            =        2
         ecutwfc         =       38.00000000
         ecutrho         =      193.00000000
         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 
Al  26.9815 Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
197
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      0.01612903       0.00000000       0.00000000 1.0 
      0.03225806       0.00000000       0.00000000 1.0 
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      0.06451613       0.00000000       0.00000000 1.0 
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      0.12903226       0.00000000       0.00000000 1.0 
      0.14516129       0.00000000       0.00000000 1.0 
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      0.17741935       0.00000000       0.00000000 1.0 
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      0.50000000       0.13763306      -0.13763306 1.0 
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      0.50000000       0.17433521      -0.17433521 1.0 
      0.82566479       0.50000000       0.17433521 1.0 
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      0.79692966       0.50000000       0.20307034 1.0 
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      0.77777291       0.50000000       0.22222709 1.0 
      0.76819453       0.50000000       0.23180547 1.0 
      0.75861616       0.50000000       0.24138384 1.0 
      0.74903778       0.50000000       0.25096222 1.0 
      0.73945940       0.50000000       0.26054060 1.0 
      0.72988103       0.50000000       0.27011897 1.0 
      0.72030265       0.50000000       0.27969735 1.0 
      0.71072428       0.50000000       0.28927572 1.0 
      0.70114590       0.50000000       0.29885410 1.0 
      0.69156752       0.50000000       0.30843248 1.0 
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      0.66283239       0.50000000       0.33716761 1.0 
      0.65325402       0.50000000       0.34674598 1.0 
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      0.63409727       0.50000000       0.36590273 1.0 
      0.62451889       0.50000000       0.37548111 1.0 
      0.61494051       0.50000000       0.38505949 1.0 
      0.60536214       0.50000000       0.39463786 1.0 
      0.59578376       0.50000000       0.40421624 1.0 
      0.58620539       0.50000000       0.41379461 1.0 
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      0.56704863       0.50000000       0.43295137 1.0 
      0.55747026       0.50000000       0.44252974 1.0 
      0.54789188       0.50000000       0.45210812 1.0 
      0.53831350       0.50000000       0.46168650 1.0 
      0.52873513       0.50000000       0.47126487 1.0 
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      0.45000000       0.45000000       0.45000000 1.0 
      0.40000000       0.40000000       0.40000000 1.0 
      0.35000000       0.35000000       0.35000000 1.0 
      0.30000000       0.30000000       0.30000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.20000000       0.20000000       0.20000000 1.0 
      0.15000000       0.15000000       0.15000000 1.0 
      0.10000000       0.10000000       0.10000000 1.0 
      0.05000000       0.05000000       0.05000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00936577       0.00000000      -0.00936577 1.0 
      0.01873153       0.00000000      -0.01873153 1.0 
      0.02809730       0.00000000      -0.02809730 1.0 
      0.03746307       0.00000000      -0.03746307 1.0 
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      0.05619460       0.00000000      -0.05619460 1.0 
      0.06556037       0.00000000      -0.06556037 1.0 
      0.07492613       0.00000000      -0.07492613 1.0 
      0.08429190       0.00000000      -0.08429190 1.0 
      0.09365767       0.00000000      -0.09365767 1.0 
      0.10302344       0.00000000      -0.10302344 1.0 
      0.11238920       0.00000000      -0.11238920 1.0 
      0.12175497      -0.00000000      -0.12175497 1.0 
      0.13112074       0.00000000      -0.13112074 1.0 
      0.14048650       0.00000000      -0.14048650 1.0 
      0.14985227       0.00000000      -0.14985227 1.0 
      0.15921804       0.00000000      -0.15921804 1.0 
      0.16858380       0.00000000      -0.16858380 1.0 
      0.17794957       0.00000000      -0.17794957 1.0 
      0.18731534       0.00000000      -0.18731534 1.0 
      0.19668110       0.00000000      -0.19668110 1.0 
      0.20604687       0.00000000      -0.20604687 1.0 
      0.21541264      -0.00000000      -0.21541264 1.0 
      0.22477840       0.00000000      -0.22477840 1.0 
      0.23414417       0.00000000      -0.23414417 1.0 
      0.24350994      -0.00000000      -0.24350994 1.0 
      0.25287570       0.00000000      -0.25287570 1.0 
      0.26224147       0.00000000      -0.26224147 1.0 
      0.27160724       0.00000000      -0.27160724 1.0 
      0.28097300       0.00000000      -0.28097300 1.0 
      0.29033877       0.00000000      -0.29033877 1.0 
      0.29970454       0.00000000      -0.29970454 1.0 
      0.30907031       0.00000000      -0.30907031 1.0 
      0.31843607       0.00000000      -0.31843607 1.0 
      0.32780184      -0.00000000      -0.32780184 1.0 
      0.33716761       0.00000000      -0.33716761 1.0 
      0.66283239       0.33716761       0.00000000 1.0 
      0.65325402       0.34674598       0.00000000 1.0 
      0.64367564       0.35632436       0.00000000 1.0 
      0.63409727       0.36590273       0.00000000 1.0 
      0.62451889       0.37548111       0.00000000 1.0 
      0.61494051       0.38505949       0.00000000 1.0 
      0.60536214       0.39463786       0.00000000 1.0 
      0.59578376       0.40421624       0.00000000 1.0 
      0.58620539       0.41379461       0.00000000 1.0 
      0.57662701       0.42337299       0.00000000 1.0 
      0.56704863       0.43295137       0.00000000 1.0 
      0.55747026       0.44252974       0.00000000 1.0 
      0.54789188       0.45210812       0.00000000 1.0 
      0.53831350       0.46168650       0.00000000 1.0 
      0.52873513       0.47126487       0.00000000 1.0 
      0.51915675       0.48084325       0.00000000 1.0 
      0.50957838       0.49042162       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.54070810       0.54070810       0.04358380 1.0 
      0.58141620       0.58141620       0.08716761 1.0 
      0.62212430       0.62212430       0.13075141 1.0 
      0.66283239       0.66283239       0.17433521 1.0 
      0.66283239       0.66283239       0.17433521 1.0 
      0.65740465       0.65740465       0.18519070 1.0 
      0.65197690       0.65197690       0.19604620 1.0 
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      0.64112141       0.64112141       0.21775718 1.0 
      0.63569366       0.63569366       0.22861268 1.0 
      0.63026592       0.63026592       0.23946817 1.0 
      0.62483817       0.62483817       0.25032366 1.0 
      0.61941042       0.61941042       0.26117915 1.0 
      0.61398268       0.61398268       0.27203465 1.0 
      0.60855493       0.60855493       0.28289014 1.0 
      0.60312718       0.60312718       0.29374563 1.0 
      0.59769944       0.59769944       0.30460113 1.0 
      0.59227169       0.59227169       0.31545662 1.0 
      0.58684394       0.58684394       0.32631211 1.0 
      0.58141620       0.58141620       0.33716761 1.0 
      0.57598845       0.57598845       0.34802310 1.0 
      0.57056070       0.57056070       0.35887859 1.0 
      0.56513296       0.56513296       0.36973408 1.0 
      0.55970521       0.55970521       0.38058958 1.0 
      0.55427746       0.55427746       0.39144507 1.0 
      0.54884972       0.54884972       0.40230056 1.0 
      0.54342197       0.54342197       0.41315606 1.0 
      0.53799423       0.53799423       0.42401155 1.0 
      0.53256648       0.53256648       0.43486704 1.0 
      0.52713873       0.52713873       0.44572254 1.0 
      0.52171099       0.52171099       0.45657803 1.0 
      0.51628324       0.51628324       0.46743352 1.0 
      0.51085549       0.51085549       0.47828901 1.0 
      0.50542775       0.50542775       0.48914451 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
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      0.54652354       0.04816680       0.04816680 1.0 
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      0.68609417       0.19266720       0.19266720 1.0 
      0.73261771       0.24083400       0.24083400 1.0 
      0.77914125       0.28900080       0.28900080 1.0 
      0.82566479       0.33716761       0.33716761 1.0 

