! Pwscf input file created with ciftopw.py 
! Compound: Ta3B2Ru5
&control
         calculation     = 'bands'
         prefix          = 'Ta3B2Ru5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.6710166957379009
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.3220583674647903
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        3
         ecutwfc         =       80.00000000
         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
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ru 101.0700 Ru.rel-pbe-oncvpsp.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
284
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.02941176       0.00000000 1.0 
      0.00000000       0.05882353       0.00000000 1.0 
      0.00000000       0.08823529       0.00000000 1.0 
      0.00000000       0.11764706       0.00000000 1.0 
      0.00000000       0.14705882       0.00000000 1.0 
      0.00000000       0.17647059       0.00000000 1.0 
      0.00000000       0.20588235       0.00000000 1.0 
      0.00000000       0.23529412       0.00000000 1.0 
      0.00000000       0.26470588       0.00000000 1.0 
      0.00000000       0.29411765       0.00000000 1.0 
      0.00000000       0.32352941       0.00000000 1.0 
      0.00000000       0.35294118       0.00000000 1.0 
      0.00000000       0.38235294       0.00000000 1.0 
      0.00000000       0.41176471       0.00000000 1.0 
      0.00000000       0.44117647       0.00000000 1.0 
      0.00000000       0.47058824       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.02941176       0.50000000       0.00000000 1.0 
      0.05882353       0.50000000       0.00000000 1.0 
      0.08823529       0.50000000       0.00000000 1.0 
      0.11764706       0.50000000       0.00000000 1.0 
      0.14705882       0.50000000       0.00000000 1.0 
      0.17647059       0.50000000       0.00000000 1.0 
      0.20588235       0.50000000       0.00000000 1.0 
      0.23529412       0.50000000       0.00000000 1.0 
      0.26470588       0.50000000       0.00000000 1.0 
      0.29411765       0.50000000       0.00000000 1.0 
      0.32352941       0.50000000       0.00000000 1.0 
      0.35294118       0.50000000       0.00000000 1.0 
      0.38235294       0.50000000       0.00000000 1.0 
      0.41176471       0.50000000       0.00000000 1.0 
      0.44117647       0.50000000       0.00000000 1.0 
      0.47058824       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.47916667       0.47916667       0.00000000 1.0 
      0.45833333       0.45833333       0.00000000 1.0 
      0.43750000       0.43750000       0.00000000 1.0 
      0.41666667       0.41666667       0.00000000 1.0 
      0.39583333       0.39583333       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.35416667       0.35416667       0.00000000 1.0 
      0.33333333       0.33333333       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.29166667       0.29166667       0.00000000 1.0 
      0.27083333       0.27083333       0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.22916667       0.22916667       0.00000000 1.0 
      0.20833333       0.20833333       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.16666667       0.16666667       0.00000000 1.0 
      0.14583333       0.14583333       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.10416667       0.10416667       0.00000000 1.0 
      0.08333333       0.08333333       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.04166667       0.04166667       0.00000000 1.0 
      0.02083333       0.02083333       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.00943396 1.0 
      0.00000000      -0.00000000       0.01886792 1.0 
      0.00000000       0.00000000       0.02830189 1.0 
      0.00000000      -0.00000000       0.03773585 1.0 
      0.00000000      -0.00000000       0.04716981 1.0 
      0.00000000       0.00000000       0.05660377 1.0 
     -0.00000000      -0.00000000       0.06603774 1.0 
      0.00000000      -0.00000000       0.07547170 1.0 
      0.00000000       0.00000000       0.08490566 1.0 
      0.00000000      -0.00000000       0.09433962 1.0 
      0.00000000       0.00000000       0.10377358 1.0 
      0.00000000       0.00000000       0.11320755 1.0 
      0.00000000       0.00000000       0.12264151 1.0 
     -0.00000000      -0.00000000       0.13207547 1.0 
     -0.00000000      -0.00000000       0.14150943 1.0 
      0.00000000      -0.00000000       0.15094340 1.0 
      0.00000000       0.00000000       0.16037736 1.0 
      0.00000000       0.00000000       0.16981132 1.0 
      0.00000000       0.00000000       0.17924528 1.0 
      0.00000000      -0.00000000       0.18867925 1.0 
      0.00000000       0.00000000       0.19811321 1.0 
      0.00000000       0.00000000       0.20754717 1.0 
     -0.00000000       0.00000000       0.21698113 1.0 
      0.00000000       0.00000000       0.22641509 1.0 
      0.00000000       0.00000000       0.23584906 1.0 
      0.00000000       0.00000000       0.24528302 1.0 
     -0.00000000       0.00000000       0.25471698 1.0 
     -0.00000000      -0.00000000       0.26415094 1.0 
     -0.00000000      -0.00000000       0.27358491 1.0 
     -0.00000000      -0.00000000       0.28301887 1.0 
     -0.00000000      -0.00000000       0.29245283 1.0 
      0.00000000      -0.00000000       0.30188679 1.0 
      0.00000000       0.00000000       0.31132075 1.0 
      0.00000000       0.00000000       0.32075472 1.0 
      0.00000000       0.00000000       0.33018868 1.0 
      0.00000000       0.00000000       0.33962264 1.0 
      0.00000000      -0.00000000       0.34905660 1.0 
      0.00000000       0.00000000       0.35849057 1.0 
      0.00000000       0.00000000       0.36792453 1.0 
      0.00000000      -0.00000000       0.37735849 1.0 
      0.00000000       0.00000000       0.38679245 1.0 
      0.00000000       0.00000000       0.39622642 1.0 
      0.00000000       0.00000000       0.40566038 1.0 
      0.00000000       0.00000000       0.41509434 1.0 
     -0.00000000      -0.00000000       0.42452830 1.0 
     -0.00000000       0.00000000       0.43396226 1.0 
      0.00000000       0.00000000       0.44339623 1.0 
      0.00000000       0.00000000       0.45283019 1.0 
      0.00000000       0.00000000       0.46226415 1.0 
      0.00000000       0.00000000       0.47169811 1.0 
      0.00000000       0.00000000       0.48113208 1.0 
      0.00000000       0.00000000       0.49056604 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02941176       0.50000000 1.0 
      0.00000000       0.05882353       0.50000000 1.0 
      0.00000000       0.08823529       0.50000000 1.0 
      0.00000000       0.11764706       0.50000000 1.0 
      0.00000000       0.14705882       0.50000000 1.0 
      0.00000000       0.17647059       0.50000000 1.0 
      0.00000000       0.20588235       0.50000000 1.0 
      0.00000000       0.23529412       0.50000000 1.0 
      0.00000000       0.26470588       0.50000000 1.0 
      0.00000000       0.29411765       0.50000000 1.0 
      0.00000000       0.32352941       0.50000000 1.0 
      0.00000000       0.35294118       0.50000000 1.0 
      0.00000000       0.38235294       0.50000000 1.0 
      0.00000000       0.41176471       0.50000000 1.0 
      0.00000000       0.44117647       0.50000000 1.0 
      0.00000000       0.47058824       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02941176       0.50000000       0.50000000 1.0 
      0.05882353       0.50000000       0.50000000 1.0 
      0.08823529       0.50000000       0.50000000 1.0 
      0.11764706       0.50000000       0.50000000 1.0 
      0.14705882       0.50000000       0.50000000 1.0 
      0.17647059       0.50000000       0.50000000 1.0 
      0.20588235       0.50000000       0.50000000 1.0 
      0.23529412       0.50000000       0.50000000 1.0 
      0.26470588       0.50000000       0.50000000 1.0 
      0.29411765       0.50000000       0.50000000 1.0 
      0.32352941       0.50000000       0.50000000 1.0 
      0.35294118       0.50000000       0.50000000 1.0 
      0.38235294       0.50000000       0.50000000 1.0 
      0.41176471       0.50000000       0.50000000 1.0 
      0.44117647       0.50000000       0.50000000 1.0 
      0.47058824       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.47916667       0.47916667       0.50000000 1.0 
      0.45833333       0.45833333       0.50000000 1.0 
      0.43750000       0.43750000       0.50000000 1.0 
      0.41666667       0.41666667       0.50000000 1.0 
      0.39583333       0.39583333       0.50000000 1.0 
      0.37500000       0.37500000       0.50000000 1.0 
      0.35416667       0.35416667       0.50000000 1.0 
      0.33333333       0.33333333       0.50000000 1.0 
      0.31250000       0.31250000       0.50000000 1.0 
      0.29166667       0.29166667       0.50000000 1.0 
      0.27083333       0.27083333       0.50000000 1.0 
      0.25000000       0.25000000       0.50000000 1.0 
      0.22916667       0.22916667       0.50000000 1.0 
      0.20833333       0.20833333       0.50000000 1.0 
      0.18750000       0.18750000       0.50000000 1.0 
      0.16666667       0.16666667       0.50000000 1.0 
      0.14583333       0.14583333       0.50000000 1.0 
      0.12500000       0.12500000       0.50000000 1.0 
      0.10416667       0.10416667       0.50000000 1.0 
      0.08333333       0.08333333       0.50000000 1.0 
      0.06250000       0.06250000       0.50000000 1.0 
      0.04166667       0.04166667       0.50000000 1.0 
      0.02083333       0.02083333       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00943396 1.0 
      0.00000000       0.50000000       0.01886792 1.0 
      0.00000000       0.50000000       0.02830189 1.0 
      0.00000000       0.50000000       0.03773585 1.0 
      0.00000000       0.50000000       0.04716981 1.0 
      0.00000000       0.50000000       0.05660377 1.0 
     -0.00000000       0.50000000       0.06603774 1.0 
      0.00000000       0.50000000       0.07547170 1.0 
      0.00000000       0.50000000       0.08490566 1.0 
      0.00000000       0.50000000       0.09433962 1.0 
      0.00000000       0.50000000       0.10377358 1.0 
      0.00000000       0.50000000       0.11320755 1.0 
      0.00000000       0.50000000       0.12264151 1.0 
     -0.00000000       0.50000000       0.13207547 1.0 
     -0.00000000       0.50000000       0.14150943 1.0 
      0.00000000       0.50000000       0.15094340 1.0 
      0.00000000       0.50000000       0.16037736 1.0 
      0.00000000       0.50000000       0.16981132 1.0 
      0.00000000       0.50000000       0.17924528 1.0 
      0.00000000       0.50000000       0.18867925 1.0 
      0.00000000       0.50000000       0.19811321 1.0 
      0.00000000       0.50000000       0.20754717 1.0 
     -0.00000000       0.50000000       0.21698113 1.0 
      0.00000000       0.50000000       0.22641509 1.0 
      0.00000000       0.50000000       0.23584906 1.0 
      0.00000000       0.50000000       0.24528302 1.0 
     -0.00000000       0.50000000       0.25471698 1.0 
     -0.00000000       0.50000000       0.26415094 1.0 
     -0.00000000       0.50000000       0.27358491 1.0 
     -0.00000000       0.50000000       0.28301887 1.0 
     -0.00000000       0.50000000       0.29245283 1.0 
      0.00000000       0.50000000       0.30188679 1.0 
      0.00000000       0.50000000       0.31132075 1.0 
      0.00000000       0.50000000       0.32075472 1.0 
      0.00000000       0.50000000       0.33018868 1.0 
      0.00000000       0.50000000       0.33962264 1.0 
      0.00000000       0.50000000       0.34905660 1.0 
      0.00000000       0.50000000       0.35849057 1.0 
      0.00000000       0.50000000       0.36792453 1.0 
      0.00000000       0.50000000       0.37735849 1.0 
      0.00000000       0.50000000       0.38679245 1.0 
      0.00000000       0.50000000       0.39622642 1.0 
      0.00000000       0.50000000       0.40566038 1.0 
      0.00000000       0.50000000       0.41509434 1.0 
     -0.00000000       0.50000000       0.42452830 1.0 
     -0.00000000       0.50000000       0.43396226 1.0 
      0.00000000       0.50000000       0.44339623 1.0 
      0.00000000       0.50000000       0.45283019 1.0 
      0.00000000       0.50000000       0.46226415 1.0 
      0.00000000       0.50000000       0.47169811 1.0 
      0.00000000       0.50000000       0.48113208 1.0 
      0.00000000       0.50000000       0.49056604 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00943396 1.0 
      0.50000000       0.50000000       0.01886792 1.0 
      0.50000000       0.50000000       0.02830189 1.0 
      0.50000000       0.50000000       0.03773585 1.0 
      0.50000000       0.50000000       0.04716981 1.0 
      0.50000000       0.50000000       0.05660377 1.0 
      0.50000000       0.50000000       0.06603774 1.0 
      0.50000000       0.50000000       0.07547170 1.0 
      0.50000000       0.50000000       0.08490566 1.0 
      0.50000000       0.50000000       0.09433962 1.0 
      0.50000000       0.50000000       0.10377358 1.0 
      0.50000000       0.50000000       0.11320755 1.0 
      0.50000000       0.50000000       0.12264151 1.0 
      0.50000000       0.50000000       0.13207547 1.0 
      0.50000000       0.50000000       0.14150943 1.0 
      0.50000000       0.50000000       0.15094340 1.0 
      0.50000000       0.50000000       0.16037736 1.0 
      0.50000000       0.50000000       0.16981132 1.0 
      0.50000000       0.50000000       0.17924528 1.0 
      0.50000000       0.50000000       0.18867925 1.0 
      0.50000000       0.50000000       0.19811321 1.0 
      0.50000000       0.50000000       0.20754717 1.0 
      0.50000000       0.50000000       0.21698113 1.0 
      0.50000000       0.50000000       0.22641509 1.0 
      0.50000000       0.50000000       0.23584906 1.0 
      0.50000000       0.50000000       0.24528302 1.0 
      0.50000000       0.50000000       0.25471698 1.0 
      0.50000000       0.50000000       0.26415094 1.0 
      0.50000000       0.50000000       0.27358491 1.0 
      0.50000000       0.50000000       0.28301887 1.0 
      0.50000000       0.50000000       0.29245283 1.0 
      0.50000000       0.50000000       0.30188679 1.0 
      0.50000000       0.50000000       0.31132075 1.0 
      0.50000000       0.50000000       0.32075472 1.0 
      0.50000000       0.50000000       0.33018868 1.0 
      0.50000000       0.50000000       0.33962264 1.0 
      0.50000000       0.50000000       0.34905660 1.0 
      0.50000000       0.50000000       0.35849057 1.0 
      0.50000000       0.50000000       0.36792453 1.0 
      0.50000000       0.50000000       0.37735849 1.0 
      0.50000000       0.50000000       0.38679245 1.0 
      0.50000000       0.50000000       0.39622642 1.0 
      0.50000000       0.50000000       0.40566038 1.0 
      0.50000000       0.50000000       0.41509434 1.0 
      0.50000000       0.50000000       0.42452830 1.0 
      0.50000000       0.50000000       0.43396226 1.0 
      0.50000000       0.50000000       0.44339623 1.0 
      0.50000000       0.50000000       0.45283019 1.0 
      0.50000000       0.50000000       0.46226415 1.0 
      0.50000000       0.50000000       0.47169811 1.0 
      0.50000000       0.50000000       0.48113208 1.0 
      0.50000000       0.50000000       0.49056604 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

