! Pwscf input file created with ciftopw.py 
! Compound: Ba3(Ge4Ir)4
&control
         calculation     = 'bands'
         prefix          = 'Ba3xGe4Irx4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           22.7973798414376745
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =           -0.8530788776989788
         celldm(5)       =           -0.8530788776989788
         celldm(6)       =            0.7061577553979572
         nat             =       23
         ntyp            =        3
         ecutwfc         =       57.00000000
         ecutrho         =      320.00000000
         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 
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ir 192.2170 Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
215
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.01470588 1.0 
     -0.00000000      -0.00000000       0.02941176 1.0 
     -0.00000000      -0.00000000       0.04411765 1.0 
     -0.00000000      -0.00000000       0.05882353 1.0 
     -0.00000000      -0.00000000       0.07352941 1.0 
     -0.00000000      -0.00000000       0.08823529 1.0 
     -0.00000000      -0.00000000       0.10294118 1.0 
     -0.00000000      -0.00000000       0.11764706 1.0 
     -0.00000000      -0.00000000       0.13235294 1.0 
     -0.00000000      -0.00000000       0.14705882 1.0 
     -0.00000000      -0.00000000       0.16176471 1.0 
     -0.00000000      -0.00000000       0.17647059 1.0 
     -0.00000000      -0.00000000       0.19117647 1.0 
     -0.00000000      -0.00000000       0.20588235 1.0 
     -0.00000000      -0.00000000       0.22058824 1.0 
     -0.00000000      -0.00000000       0.23529412 1.0 
     -0.00000000      -0.00000000       0.25000000 1.0 
     -0.00000000      -0.00000000       0.26470588 1.0 
     -0.00000000      -0.00000000       0.27941176 1.0 
     -0.00000000      -0.00000000       0.29411765 1.0 
     -0.00000000      -0.00000000       0.30882353 1.0 
     -0.00000000      -0.00000000       0.32352941 1.0 
     -0.00000000      -0.00000000       0.33823529 1.0 
     -0.00000000      -0.00000000       0.35294118 1.0 
     -0.00000000      -0.00000000       0.36764706 1.0 
     -0.00000000      -0.00000000       0.38235294 1.0 
     -0.00000000      -0.00000000       0.39705882 1.0 
     -0.00000000      -0.00000000       0.41176471 1.0 
     -0.00000000      -0.00000000       0.42647059 1.0 
     -0.00000000      -0.00000000       0.44117647 1.0 
     -0.00000000      -0.00000000       0.45588235 1.0 
     -0.00000000      -0.00000000       0.47058824 1.0 
     -0.00000000      -0.00000000       0.48529412 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.01435205       0.01435205       0.50000000 1.0 
     -0.02870409       0.02870409       0.50000000 1.0 
     -0.04305614       0.04305614       0.50000000 1.0 
     -0.04305614       0.04305614       0.50000000 1.0 
     -0.05344122       0.05344122       0.48961491 1.0 
     -0.06382631       0.06382631       0.47922982 1.0 
     -0.07421140       0.07421140       0.46884474 1.0 
     -0.08459649       0.08459649       0.45845965 1.0 
     -0.09498158       0.09498158       0.44807456 1.0 
     -0.10536666       0.10536666       0.43768947 1.0 
     -0.11575175       0.11575175       0.42730439 1.0 
     -0.12613684       0.12613684       0.41691930 1.0 
     -0.13652193       0.13652193       0.40653421 1.0 
     -0.14690701       0.14690701       0.39614912 1.0 
     -0.15729210       0.15729210       0.38576403 1.0 
     -0.16767719       0.16767719       0.37537895 1.0 
     -0.17806228       0.17806228       0.36499386 1.0 
     -0.18844737       0.18844737       0.35460877 1.0 
     -0.19883245       0.19883245       0.34422368 1.0 
     -0.20921754       0.20921754       0.33383860 1.0 
     -0.21960263       0.21960263       0.32345351 1.0 
     -0.22998772       0.22998772       0.31306842 1.0 
     -0.24037280       0.24037280       0.30268333 1.0 
     -0.25075789       0.25075789       0.29229824 1.0 
     -0.26114298       0.26114298       0.28191316 1.0 
     -0.27152807       0.27152807       0.27152807 1.0 
     -0.27152807       0.27152807       0.27152807 1.0 
     -0.26147147       0.26147147       0.26147147 1.0 
     -0.25141488       0.25141488       0.25141488 1.0 
     -0.24135828       0.24135828       0.24135828 1.0 
     -0.23130169       0.23130169       0.23130169 1.0 
     -0.22124509       0.22124509       0.22124509 1.0 
     -0.21118850       0.21118850       0.21118850 1.0 
     -0.20113190       0.20113190       0.20113190 1.0 
     -0.19107531       0.19107531       0.19107531 1.0 
     -0.18101871       0.18101871       0.18101871 1.0 
     -0.17096212       0.17096212       0.17096212 1.0 
     -0.16090552       0.16090552       0.16090552 1.0 
     -0.15084893       0.15084893       0.15084893 1.0 
     -0.14079233       0.14079233       0.14079233 1.0 
     -0.13073574       0.13073574       0.13073574 1.0 
     -0.12067914       0.12067914       0.12067914 1.0 
     -0.11062255       0.11062255       0.11062255 1.0 
     -0.10056595       0.10056595       0.10056595 1.0 
     -0.09050936       0.09050936       0.09050936 1.0 
     -0.08045276       0.08045276       0.08045276 1.0 
     -0.07039617       0.07039617       0.07039617 1.0 
     -0.06033957       0.06033957       0.06033957 1.0 
     -0.05028298       0.05028298       0.05028298 1.0 
     -0.04022638       0.04022638       0.04022638 1.0 
     -0.03016979       0.03016979       0.03016979 1.0 
     -0.02011319       0.02011319       0.02011319 1.0 
     -0.01005660       0.01005660       0.01005660 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.03333333       0.03333333      -0.03333333 1.0 
      0.06666667       0.06666667      -0.06666667 1.0 
      0.10000000       0.10000000      -0.10000000 1.0 
      0.13333333       0.13333333      -0.13333333 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.20000000       0.20000000      -0.20000000 1.0 
      0.23333333       0.23333333      -0.23333333 1.0 
      0.26666667       0.26666667      -0.26666667 1.0 
      0.30000000       0.30000000      -0.30000000 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.36666667       0.36666667      -0.36666667 1.0 
      0.40000000       0.40000000      -0.40000000 1.0 
      0.43333333       0.43333333      -0.43333333 1.0 
      0.46666667       0.46666667      -0.46666667 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.48961491       0.51038509      -0.48961491 1.0 
      0.47922982       0.52077018      -0.47922982 1.0 
      0.46884474       0.53115526      -0.46884474 1.0 
      0.45845965       0.54154035      -0.45845965 1.0 
      0.44807456       0.55192544      -0.44807456 1.0 
      0.43768947       0.56231053      -0.43768947 1.0 
      0.42730439       0.57269561      -0.42730439 1.0 
      0.41691930       0.58308070      -0.41691930 1.0 
      0.40653421       0.59346579      -0.40653421 1.0 
      0.39614912       0.60385088      -0.39614912 1.0 
      0.38576403       0.61423597      -0.38576403 1.0 
      0.37537895       0.62462105      -0.37537895 1.0 
      0.36499386       0.63500614      -0.36499386 1.0 
      0.35460877       0.64539123      -0.35460877 1.0 
      0.34422368       0.65577632      -0.34422368 1.0 
      0.33383860       0.66616140      -0.33383860 1.0 
      0.32345351       0.67654649      -0.32345351 1.0 
      0.31306842       0.68693158      -0.31306842 1.0 
      0.30268333       0.69731667      -0.30268333 1.0 
      0.29229824       0.70770176      -0.29229824 1.0 
      0.28191316       0.71808684      -0.28191316 1.0 
      0.27152807       0.72847193      -0.27152807 1.0 
      0.27152807       0.72847193      -0.27152807 1.0 
      0.23758706       0.69991294      -0.23758706 1.0 
      0.20364605       0.67135395      -0.20364605 1.0 
      0.16970504       0.64279496      -0.16970504 1.0 
      0.13576403       0.61423597      -0.13576403 1.0 
      0.10182303       0.58567697      -0.10182303 1.0 
      0.06788202       0.55711798      -0.06788202 1.0 
      0.03394101       0.52855899      -0.03394101 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.01000000       0.49000000       0.01000000 1.0 
      0.02000000       0.48000000       0.02000000 1.0 
      0.03000000       0.47000000       0.03000000 1.0 
      0.04000000       0.46000000       0.04000000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.06000000       0.44000000       0.06000000 1.0 
      0.07000000       0.43000000       0.07000000 1.0 
      0.08000000       0.42000000       0.08000000 1.0 
      0.09000000       0.41000000       0.09000000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.11000000       0.39000000       0.11000000 1.0 
      0.12000000       0.38000000       0.12000000 1.0 
      0.13000000       0.37000000       0.13000000 1.0 
      0.14000000       0.36000000       0.14000000 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.16000000       0.34000000       0.16000000 1.0 
      0.17000000       0.33000000       0.17000000 1.0 
      0.18000000       0.32000000       0.18000000 1.0 
      0.19000000       0.31000000       0.19000000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.21000000       0.29000000       0.21000000 1.0 
      0.22000000       0.28000000       0.22000000 1.0 
      0.23000000       0.27000000       0.23000000 1.0 
      0.24000000       0.26000000       0.24000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.28125000       0.28125000       0.21336798 1.0 
      0.31250000       0.31250000       0.17673597 1.0 
      0.34375000       0.34375000       0.14010395 1.0 
      0.37500000       0.37500000       0.10347193 1.0 
      0.40625000       0.40625000       0.06683991 1.0 
      0.43750000       0.43750000       0.03020790 1.0 
      0.46875000       0.46875000      -0.00642412 1.0 
      0.50000000       0.50000000      -0.04305614 1.0 
      0.50000000       0.50000000      -0.04305614 1.0 
      0.50000000       0.50000000      -0.05733563 1.0 
      0.50000000       0.50000000      -0.07161513 1.0 
      0.50000000       0.50000000      -0.08589462 1.0 
      0.50000000       0.50000000      -0.10017412 1.0 
      0.50000000       0.50000000      -0.11445362 1.0 
      0.50000000       0.50000000      -0.12873311 1.0 
      0.50000000       0.50000000      -0.14301261 1.0 
      0.50000000       0.50000000      -0.15729210 1.0 
      0.50000000       0.50000000      -0.17157160 1.0 
      0.50000000       0.50000000      -0.18585109 1.0 
      0.50000000       0.50000000      -0.20013059 1.0 
      0.50000000       0.50000000      -0.21441009 1.0 
      0.50000000       0.50000000      -0.22868958 1.0 
      0.50000000       0.50000000      -0.24296908 1.0 
      0.50000000       0.50000000      -0.25724857 1.0 
      0.50000000       0.50000000      -0.27152807 1.0 
      0.50000000       0.50000000      -0.28580756 1.0 
      0.50000000       0.50000000      -0.30008706 1.0 
      0.50000000       0.50000000      -0.31436656 1.0 
      0.50000000       0.50000000      -0.32864605 1.0 
      0.50000000       0.50000000      -0.34292555 1.0 
      0.50000000       0.50000000      -0.35720504 1.0 
      0.50000000       0.50000000      -0.37148454 1.0 
      0.50000000       0.50000000      -0.38576403 1.0 
      0.50000000       0.50000000      -0.40004353 1.0 
      0.50000000       0.50000000      -0.41432303 1.0 
      0.50000000       0.50000000      -0.42860252 1.0 
      0.50000000       0.50000000      -0.44288202 1.0 
      0.50000000       0.50000000      -0.45716151 1.0 
      0.50000000       0.50000000      -0.47144101 1.0 
      0.50000000       0.50000000      -0.48572050 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
      0.03125000       0.03125000       0.46875000 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.09375000       0.09375000       0.40625000 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.15625000       0.15625000       0.34375000 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.21875000       0.21875000       0.28125000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

