! Pwscf input file created with ciftopw.py 
! Compound: BaB6
&control
         calculation     = 'bands'
         prefix          = 'BaB6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.0653505210520002
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =        7
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      325.00000000
         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 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
287
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01351351       0.00000000 1.0 
      0.00000000       0.02702703       0.00000000 1.0 
      0.00000000       0.04054054       0.00000000 1.0 
      0.00000000       0.05405405       0.00000000 1.0 
      0.00000000       0.06756757       0.00000000 1.0 
      0.00000000       0.08108108       0.00000000 1.0 
      0.00000000       0.09459459       0.00000000 1.0 
      0.00000000       0.10810811       0.00000000 1.0 
      0.00000000       0.12162162       0.00000000 1.0 
      0.00000000       0.13513514       0.00000000 1.0 
      0.00000000       0.14864865       0.00000000 1.0 
      0.00000000       0.16216216       0.00000000 1.0 
      0.00000000       0.17567568       0.00000000 1.0 
      0.00000000       0.18918919       0.00000000 1.0 
      0.00000000       0.20270270       0.00000000 1.0 
      0.00000000       0.21621622       0.00000000 1.0 
      0.00000000       0.22972973       0.00000000 1.0 
      0.00000000       0.24324324       0.00000000 1.0 
      0.00000000       0.25675676       0.00000000 1.0 
      0.00000000       0.27027027       0.00000000 1.0 
      0.00000000       0.28378378       0.00000000 1.0 
      0.00000000       0.29729730       0.00000000 1.0 
      0.00000000       0.31081081       0.00000000 1.0 
      0.00000000       0.32432432       0.00000000 1.0 
      0.00000000       0.33783784       0.00000000 1.0 
      0.00000000       0.35135135       0.00000000 1.0 
      0.00000000       0.36486486       0.00000000 1.0 
      0.00000000       0.37837838       0.00000000 1.0 
      0.00000000       0.39189189       0.00000000 1.0 
      0.00000000       0.40540541       0.00000000 1.0 
      0.00000000       0.41891892       0.00000000 1.0 
      0.00000000       0.43243243       0.00000000 1.0 
      0.00000000       0.44594595       0.00000000 1.0 
      0.00000000       0.45945946       0.00000000 1.0 
      0.00000000       0.47297297       0.00000000 1.0 
      0.00000000       0.48648649       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01351351       0.50000000       0.00000000 1.0 
      0.02702703       0.50000000       0.00000000 1.0 
      0.04054054       0.50000000       0.00000000 1.0 
      0.05405405       0.50000000       0.00000000 1.0 
      0.06756757       0.50000000       0.00000000 1.0 
      0.08108108       0.50000000       0.00000000 1.0 
      0.09459459       0.50000000       0.00000000 1.0 
      0.10810811       0.50000000       0.00000000 1.0 
      0.12162162       0.50000000       0.00000000 1.0 
      0.13513514       0.50000000       0.00000000 1.0 
      0.14864865       0.50000000       0.00000000 1.0 
      0.16216216       0.50000000       0.00000000 1.0 
      0.17567568       0.50000000       0.00000000 1.0 
      0.18918919       0.50000000       0.00000000 1.0 
      0.20270270       0.50000000       0.00000000 1.0 
      0.21621622       0.50000000       0.00000000 1.0 
      0.22972973       0.50000000       0.00000000 1.0 
      0.24324324       0.50000000       0.00000000 1.0 
      0.25675676       0.50000000       0.00000000 1.0 
      0.27027027       0.50000000       0.00000000 1.0 
      0.28378378       0.50000000       0.00000000 1.0 
      0.29729730       0.50000000       0.00000000 1.0 
      0.31081081       0.50000000       0.00000000 1.0 
      0.32432432       0.50000000       0.00000000 1.0 
      0.33783784       0.50000000       0.00000000 1.0 
      0.35135135       0.50000000       0.00000000 1.0 
      0.36486486       0.50000000       0.00000000 1.0 
      0.37837838       0.50000000       0.00000000 1.0 
      0.39189189       0.50000000       0.00000000 1.0 
      0.40540541       0.50000000       0.00000000 1.0 
      0.41891892       0.50000000       0.00000000 1.0 
      0.43243243       0.50000000       0.00000000 1.0 
      0.44594595       0.50000000       0.00000000 1.0 
      0.45945946       0.50000000       0.00000000 1.0 
      0.47297297       0.50000000       0.00000000 1.0 
      0.48648649       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.49056604       0.49056604       0.00000000 1.0 
      0.48113208       0.48113208       0.00000000 1.0 
      0.47169811       0.47169811       0.00000000 1.0 
      0.46226415       0.46226415       0.00000000 1.0 
      0.45283019       0.45283019       0.00000000 1.0 
      0.44339623       0.44339623       0.00000000 1.0 
      0.43396226       0.43396226       0.00000000 1.0 
      0.42452830       0.42452830       0.00000000 1.0 
      0.41509434       0.41509434       0.00000000 1.0 
      0.40566038       0.40566038       0.00000000 1.0 
      0.39622642       0.39622642       0.00000000 1.0 
      0.38679245       0.38679245       0.00000000 1.0 
      0.37735849       0.37735849       0.00000000 1.0 
      0.36792453       0.36792453       0.00000000 1.0 
      0.35849057       0.35849057       0.00000000 1.0 
      0.34905660       0.34905660       0.00000000 1.0 
      0.33962264       0.33962264       0.00000000 1.0 
      0.33018868       0.33018868       0.00000000 1.0 
      0.32075472       0.32075472       0.00000000 1.0 
      0.31132075       0.31132075       0.00000000 1.0 
      0.30188679       0.30188679       0.00000000 1.0 
      0.29245283       0.29245283       0.00000000 1.0 
      0.28301887       0.28301887       0.00000000 1.0 
      0.27358491       0.27358491       0.00000000 1.0 
      0.26415094       0.26415094       0.00000000 1.0 
      0.25471698       0.25471698       0.00000000 1.0 
      0.24528302       0.24528302       0.00000000 1.0 
      0.23584906       0.23584906       0.00000000 1.0 
      0.22641509       0.22641509       0.00000000 1.0 
      0.21698113       0.21698113       0.00000000 1.0 
      0.20754717       0.20754717       0.00000000 1.0 
      0.19811321       0.19811321       0.00000000 1.0 
      0.18867925       0.18867925       0.00000000 1.0 
      0.17924528       0.17924528       0.00000000 1.0 
      0.16981132       0.16981132       0.00000000 1.0 
      0.16037736       0.16037736       0.00000000 1.0 
      0.15094340       0.15094340       0.00000000 1.0 
      0.14150943       0.14150943       0.00000000 1.0 
      0.13207547       0.13207547       0.00000000 1.0 
      0.12264151       0.12264151       0.00000000 1.0 
      0.11320755       0.11320755       0.00000000 1.0 
      0.10377358       0.10377358       0.00000000 1.0 
      0.09433962       0.09433962       0.00000000 1.0 
      0.08490566       0.08490566       0.00000000 1.0 
      0.07547170       0.07547170       0.00000000 1.0 
      0.06603774       0.06603774       0.00000000 1.0 
      0.05660377       0.05660377       0.00000000 1.0 
      0.04716981       0.04716981       0.00000000 1.0 
      0.03773585       0.03773585       0.00000000 1.0 
      0.02830189       0.02830189       0.00000000 1.0 
      0.01886792       0.01886792       0.00000000 1.0 
      0.00943396       0.00943396       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00781250       0.00781250       0.00781250 1.0 
      0.01562500       0.01562500       0.01562500 1.0 
      0.02343750       0.02343750       0.02343750 1.0 
      0.03125000       0.03125000       0.03125000 1.0 
      0.03906250       0.03906250       0.03906250 1.0 
      0.04687500       0.04687500       0.04687500 1.0 
      0.05468750       0.05468750       0.05468750 1.0 
      0.06250000       0.06250000       0.06250000 1.0 
      0.07031250       0.07031250       0.07031250 1.0 
      0.07812500       0.07812500       0.07812500 1.0 
      0.08593750       0.08593750       0.08593750 1.0 
      0.09375000       0.09375000       0.09375000 1.0 
      0.10156250       0.10156250       0.10156250 1.0 
      0.10937500       0.10937500       0.10937500 1.0 
      0.11718750       0.11718750       0.11718750 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.13281250       0.13281250       0.13281250 1.0 
      0.14062500       0.14062500       0.14062500 1.0 
      0.14843750       0.14843750       0.14843750 1.0 
      0.15625000       0.15625000       0.15625000 1.0 
      0.16406250       0.16406250       0.16406250 1.0 
      0.17187500       0.17187500       0.17187500 1.0 
      0.17968750       0.17968750       0.17968750 1.0 
      0.18750000       0.18750000       0.18750000 1.0 
      0.19531250       0.19531250       0.19531250 1.0 
      0.20312500       0.20312500       0.20312500 1.0 
      0.21093750       0.21093750       0.21093750 1.0 
      0.21875000       0.21875000       0.21875000 1.0 
      0.22656250       0.22656250       0.22656250 1.0 
      0.23437500       0.23437500       0.23437500 1.0 
      0.24218750       0.24218750       0.24218750 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25781250       0.25781250       0.25781250 1.0 
      0.26562500       0.26562500       0.26562500 1.0 
      0.27343750       0.27343750       0.27343750 1.0 
      0.28125000       0.28125000       0.28125000 1.0 
      0.28906250       0.28906250       0.28906250 1.0 
      0.29687500       0.29687500       0.29687500 1.0 
      0.30468750       0.30468750       0.30468750 1.0 
      0.31250000       0.31250000       0.31250000 1.0 
      0.32031250       0.32031250       0.32031250 1.0 
      0.32812500       0.32812500       0.32812500 1.0 
      0.33593750       0.33593750       0.33593750 1.0 
      0.34375000       0.34375000       0.34375000 1.0 
      0.35156250       0.35156250       0.35156250 1.0 
      0.35937500       0.35937500       0.35937500 1.0 
      0.36718750       0.36718750       0.36718750 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.38281250       0.38281250       0.38281250 1.0 
      0.39062500       0.39062500       0.39062500 1.0 
      0.39843750       0.39843750       0.39843750 1.0 
      0.40625000       0.40625000       0.40625000 1.0 
      0.41406250       0.41406250       0.41406250 1.0 
      0.42187500       0.42187500       0.42187500 1.0 
      0.42968750       0.42968750       0.42968750 1.0 
      0.43750000       0.43750000       0.43750000 1.0 
      0.44531250       0.44531250       0.44531250 1.0 
      0.45312500       0.45312500       0.45312500 1.0 
      0.46093750       0.46093750       0.46093750 1.0 
      0.46875000       0.46875000       0.46875000 1.0 
      0.47656250       0.47656250       0.47656250 1.0 
      0.48437500       0.48437500       0.48437500 1.0 
      0.49218750       0.49218750       0.49218750 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49056604       0.50000000       0.49056604 1.0 
      0.48113208       0.50000000       0.48113208 1.0 
      0.47169811       0.50000000       0.47169811 1.0 
      0.46226415       0.50000000       0.46226415 1.0 
      0.45283019       0.50000000       0.45283019 1.0 
      0.44339623       0.50000000       0.44339623 1.0 
      0.43396226       0.50000000       0.43396226 1.0 
      0.42452830       0.50000000       0.42452830 1.0 
      0.41509434       0.50000000       0.41509434 1.0 
      0.40566038       0.50000000       0.40566038 1.0 
      0.39622642       0.50000000       0.39622642 1.0 
      0.38679245       0.50000000       0.38679245 1.0 
      0.37735849       0.50000000       0.37735849 1.0 
      0.36792453       0.50000000       0.36792453 1.0 
      0.35849057       0.50000000       0.35849057 1.0 
      0.34905660       0.50000000       0.34905660 1.0 
      0.33962264       0.50000000       0.33962264 1.0 
      0.33018868       0.50000000       0.33018868 1.0 
      0.32075472       0.50000000       0.32075472 1.0 
      0.31132075       0.50000000       0.31132075 1.0 
      0.30188679       0.50000000       0.30188679 1.0 
      0.29245283       0.50000000       0.29245283 1.0 
      0.28301887       0.50000000       0.28301887 1.0 
      0.27358491       0.50000000       0.27358491 1.0 
      0.26415094       0.50000000       0.26415094 1.0 
      0.25471698       0.50000000       0.25471698 1.0 
      0.24528302       0.50000000       0.24528302 1.0 
      0.23584906       0.50000000       0.23584906 1.0 
      0.22641509       0.50000000       0.22641509 1.0 
      0.21698113       0.50000000       0.21698113 1.0 
      0.20754717       0.50000000       0.20754717 1.0 
      0.19811321       0.50000000       0.19811321 1.0 
      0.18867925       0.50000000       0.18867925 1.0 
      0.17924528       0.50000000       0.17924528 1.0 
      0.16981132       0.50000000       0.16981132 1.0 
      0.16037736       0.50000000       0.16037736 1.0 
      0.15094340       0.50000000       0.15094340 1.0 
      0.14150943       0.50000000       0.14150943 1.0 
      0.13207547       0.50000000       0.13207547 1.0 
      0.12264151       0.50000000       0.12264151 1.0 
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      0.10377358       0.50000000       0.10377358 1.0 
      0.09433962       0.50000000       0.09433962 1.0 
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      0.07547170       0.50000000       0.07547170 1.0 
      0.06603774       0.50000000       0.06603774 1.0 
      0.05660377       0.50000000       0.05660377 1.0 
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      0.03773585       0.50000000       0.03773585 1.0 
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      0.01886792       0.50000000       0.01886792 1.0 
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      0.50000000       0.50000000       0.10810811 1.0 
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      0.50000000       0.50000000       0.37837838 1.0 
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      0.50000000       0.50000000       0.44594595 1.0 
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      0.50000000       0.50000000       0.47297297 1.0 
      0.50000000       0.50000000       0.48648649 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

