! Pwscf input file created with ciftopw.py 
! Compound: Sc2SiB2Ir5
&control
         calculation     = 'bands'
         prefix          = 'Sc2SiB2Ir5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           17.4365017005030012
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.3326108160832340
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        4
         ecutwfc         =       57.00000000
         ecutrho         =      402.00000000
         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
Ir 192.2170 Ir.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Sc  44.9559 Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-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       0.02777778       0.00000000 1.0 
      0.00000000       0.05555556       0.00000000 1.0 
      0.00000000       0.08333333       0.00000000 1.0 
      0.00000000       0.11111111       0.00000000 1.0 
      0.00000000       0.13888889       0.00000000 1.0 
      0.00000000       0.16666667       0.00000000 1.0 
      0.00000000       0.19444444       0.00000000 1.0 
      0.00000000       0.22222222       0.00000000 1.0 
      0.00000000       0.25000000       0.00000000 1.0 
      0.00000000       0.27777778       0.00000000 1.0 
      0.00000000       0.30555556       0.00000000 1.0 
      0.00000000       0.33333333       0.00000000 1.0 
      0.00000000       0.36111111       0.00000000 1.0 
      0.00000000       0.38888889       0.00000000 1.0 
      0.00000000       0.41666667       0.00000000 1.0 
      0.00000000       0.44444444       0.00000000 1.0 
      0.00000000       0.47222222       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.02777778       0.50000000       0.00000000 1.0 
      0.05555556       0.50000000       0.00000000 1.0 
      0.08333333       0.50000000       0.00000000 1.0 
      0.11111111       0.50000000       0.00000000 1.0 
      0.13888889       0.50000000       0.00000000 1.0 
      0.16666667       0.50000000       0.00000000 1.0 
      0.19444444       0.50000000       0.00000000 1.0 
      0.22222222       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.27777778       0.50000000       0.00000000 1.0 
      0.30555556       0.50000000       0.00000000 1.0 
      0.33333333       0.50000000       0.00000000 1.0 
      0.36111111       0.50000000       0.00000000 1.0 
      0.38888889       0.50000000       0.00000000 1.0 
      0.41666667       0.50000000       0.00000000 1.0 
      0.44444444       0.50000000       0.00000000 1.0 
      0.47222222       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48000000       0.48000000       0.00000000 1.0 
      0.46000000       0.46000000       0.00000000 1.0 
      0.44000000       0.44000000       0.00000000 1.0 
      0.42000000       0.42000000       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.38000000       0.38000000       0.00000000 1.0 
      0.36000000       0.36000000       0.00000000 1.0 
      0.34000000       0.34000000       0.00000000 1.0 
      0.32000000       0.32000000       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.28000000       0.28000000       0.00000000 1.0 
      0.26000000       0.26000000       0.00000000 1.0 
      0.24000000       0.24000000       0.00000000 1.0 
      0.22000000       0.22000000       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.18000000       0.18000000       0.00000000 1.0 
      0.16000000       0.16000000       0.00000000 1.0 
      0.14000000       0.14000000       0.00000000 1.0 
      0.12000000       0.12000000       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.08000000       0.08000000       0.00000000 1.0 
      0.06000000       0.06000000       0.00000000 1.0 
      0.04000000       0.04000000       0.00000000 1.0 
      0.02000000       0.02000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00000000      -0.00000000       0.00961538 1.0 
     -0.00000000      -0.00000000       0.01923077 1.0 
     -0.00000000       0.00000000       0.02884615 1.0 
     -0.00000000      -0.00000000       0.03846154 1.0 
      0.00000000       0.00000000       0.04807692 1.0 
     -0.00000000       0.00000000       0.05769231 1.0 
     -0.00000000       0.00000000       0.06730769 1.0 
     -0.00000000      -0.00000000       0.07692308 1.0 
      0.00000000       0.00000000       0.08653846 1.0 
      0.00000000       0.00000000       0.09615385 1.0 
      0.00000000       0.00000000       0.10576923 1.0 
     -0.00000000       0.00000000       0.11538462 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
     -0.00000000       0.00000000       0.13461538 1.0 
      0.00000000       0.00000000       0.14423077 1.0 
     -0.00000000      -0.00000000       0.15384615 1.0 
      0.00000000       0.00000000       0.16346154 1.0 
      0.00000000       0.00000000       0.17307692 1.0 
      0.00000000       0.00000000       0.18269231 1.0 
      0.00000000       0.00000000       0.19230769 1.0 
      0.00000000       0.00000000       0.20192308 1.0 
      0.00000000       0.00000000       0.21153846 1.0 
      0.00000000       0.00000000       0.22115385 1.0 
     -0.00000000       0.00000000       0.23076923 1.0 
      0.00000000       0.00000000       0.24038462 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.25961538 1.0 
     -0.00000000       0.00000000       0.26923077 1.0 
      0.00000000       0.00000000       0.27884615 1.0 
      0.00000000       0.00000000       0.28846154 1.0 
      0.00000000       0.00000000       0.29807692 1.0 
     -0.00000000      -0.00000000       0.30769231 1.0 
      0.00000000       0.00000000       0.31730769 1.0 
      0.00000000       0.00000000       0.32692308 1.0 
     -0.00000000       0.00000000       0.33653846 1.0 
      0.00000000       0.00000000       0.34615385 1.0 
      0.00000000       0.00000000       0.35576923 1.0 
      0.00000000       0.00000000       0.36538462 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.38461538 1.0 
      0.00000000       0.00000000       0.39423077 1.0 
      0.00000000       0.00000000       0.40384615 1.0 
      0.00000000       0.00000000       0.41346154 1.0 
      0.00000000       0.00000000       0.42307692 1.0 
      0.00000000       0.00000000       0.43269231 1.0 
      0.00000000       0.00000000       0.44230769 1.0 
      0.00000000       0.00000000       0.45192308 1.0 
     -0.00000000       0.00000000       0.46153846 1.0 
      0.00000000       0.00000000       0.47115385 1.0 
      0.00000000       0.00000000       0.48076923 1.0 
      0.00000000       0.00000000       0.49038462 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02777778       0.50000000 1.0 
      0.00000000       0.05555556       0.50000000 1.0 
      0.00000000       0.08333333       0.50000000 1.0 
      0.00000000       0.11111111       0.50000000 1.0 
      0.00000000       0.13888889       0.50000000 1.0 
      0.00000000       0.16666667       0.50000000 1.0 
      0.00000000       0.19444444       0.50000000 1.0 
      0.00000000       0.22222222       0.50000000 1.0 
      0.00000000       0.25000000       0.50000000 1.0 
      0.00000000       0.27777778       0.50000000 1.0 
      0.00000000       0.30555556       0.50000000 1.0 
      0.00000000       0.33333333       0.50000000 1.0 
      0.00000000       0.36111111       0.50000000 1.0 
      0.00000000       0.38888889       0.50000000 1.0 
      0.00000000       0.41666667       0.50000000 1.0 
      0.00000000       0.44444444       0.50000000 1.0 
      0.00000000       0.47222222       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02777778       0.50000000       0.50000000 1.0 
      0.05555556       0.50000000       0.50000000 1.0 
      0.08333333       0.50000000       0.50000000 1.0 
      0.11111111       0.50000000       0.50000000 1.0 
      0.13888889       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.19444444       0.50000000       0.50000000 1.0 
      0.22222222       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.27777778       0.50000000       0.50000000 1.0 
      0.30555556       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.36111111       0.50000000       0.50000000 1.0 
      0.38888889       0.50000000       0.50000000 1.0 
      0.41666667       0.50000000       0.50000000 1.0 
      0.44444444       0.50000000       0.50000000 1.0 
      0.47222222       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48000000       0.48000000       0.50000000 1.0 
      0.46000000       0.46000000       0.50000000 1.0 
      0.44000000       0.44000000       0.50000000 1.0 
      0.42000000       0.42000000       0.50000000 1.0 
      0.40000000       0.40000000       0.50000000 1.0 
      0.38000000       0.38000000       0.50000000 1.0 
      0.36000000       0.36000000       0.50000000 1.0 
      0.34000000       0.34000000       0.50000000 1.0 
      0.32000000       0.32000000       0.50000000 1.0 
      0.30000000       0.30000000       0.50000000 1.0 
      0.28000000       0.28000000       0.50000000 1.0 
      0.26000000       0.26000000       0.50000000 1.0 
      0.24000000       0.24000000       0.50000000 1.0 
      0.22000000       0.22000000       0.50000000 1.0 
      0.20000000       0.20000000       0.50000000 1.0 
      0.18000000       0.18000000       0.50000000 1.0 
      0.16000000       0.16000000       0.50000000 1.0 
      0.14000000       0.14000000       0.50000000 1.0 
      0.12000000       0.12000000       0.50000000 1.0 
      0.10000000       0.10000000       0.50000000 1.0 
      0.08000000       0.08000000       0.50000000 1.0 
      0.06000000       0.06000000       0.50000000 1.0 
      0.04000000       0.04000000       0.50000000 1.0 
      0.02000000       0.02000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.00961538 1.0 
     -0.00000000       0.50000000       0.01923077 1.0 
     -0.00000000       0.50000000       0.02884615 1.0 
     -0.00000000       0.50000000       0.03846154 1.0 
      0.00000000       0.50000000       0.04807692 1.0 
     -0.00000000       0.50000000       0.05769231 1.0 
     -0.00000000       0.50000000       0.06730769 1.0 
     -0.00000000       0.50000000       0.07692308 1.0 
      0.00000000       0.50000000       0.08653846 1.0 
      0.00000000       0.50000000       0.09615385 1.0 
      0.00000000       0.50000000       0.10576923 1.0 
     -0.00000000       0.50000000       0.11538462 1.0 
      0.00000000       0.50000000       0.12500000 1.0 
     -0.00000000       0.50000000       0.13461538 1.0 
      0.00000000       0.50000000       0.14423077 1.0 
     -0.00000000       0.50000000       0.15384615 1.0 
      0.00000000       0.50000000       0.16346154 1.0 
      0.00000000       0.50000000       0.17307692 1.0 
      0.00000000       0.50000000       0.18269231 1.0 
      0.00000000       0.50000000       0.19230769 1.0 
      0.00000000       0.50000000       0.20192308 1.0 
      0.00000000       0.50000000       0.21153846 1.0 
      0.00000000       0.50000000       0.22115385 1.0 
     -0.00000000       0.50000000       0.23076923 1.0 
      0.00000000       0.50000000       0.24038462 1.0 
      0.00000000       0.50000000       0.25000000 1.0 
      0.00000000       0.50000000       0.25961538 1.0 
     -0.00000000       0.50000000       0.26923077 1.0 
      0.00000000       0.50000000       0.27884615 1.0 
      0.00000000       0.50000000       0.28846154 1.0 
      0.00000000       0.50000000       0.29807692 1.0 
     -0.00000000       0.50000000       0.30769231 1.0 
      0.00000000       0.50000000       0.31730769 1.0 
      0.00000000       0.50000000       0.32692308 1.0 
     -0.00000000       0.50000000       0.33653846 1.0 
      0.00000000       0.50000000       0.34615385 1.0 
      0.00000000       0.50000000       0.35576923 1.0 
      0.00000000       0.50000000       0.36538462 1.0 
      0.00000000       0.50000000       0.37500000 1.0 
      0.00000000       0.50000000       0.38461538 1.0 
      0.00000000       0.50000000       0.39423077 1.0 
      0.00000000       0.50000000       0.40384615 1.0 
      0.00000000       0.50000000       0.41346154 1.0 
      0.00000000       0.50000000       0.42307692 1.0 
      0.00000000       0.50000000       0.43269231 1.0 
      0.00000000       0.50000000       0.44230769 1.0 
      0.00000000       0.50000000       0.45192308 1.0 
     -0.00000000       0.50000000       0.46153846 1.0 
      0.00000000       0.50000000       0.47115385 1.0 
      0.00000000       0.50000000       0.48076923 1.0 
      0.00000000       0.50000000       0.49038462 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00961538 1.0 
      0.50000000       0.50000000       0.01923077 1.0 
      0.50000000       0.50000000       0.02884615 1.0 
      0.50000000       0.50000000       0.03846154 1.0 
      0.50000000       0.50000000       0.04807692 1.0 
      0.50000000       0.50000000       0.05769231 1.0 
      0.50000000       0.50000000       0.06730769 1.0 
      0.50000000       0.50000000       0.07692308 1.0 
      0.50000000       0.50000000       0.08653846 1.0 
      0.50000000       0.50000000       0.09615385 1.0 
      0.50000000       0.50000000       0.10576923 1.0 
      0.50000000       0.50000000       0.11538462 1.0 
      0.50000000       0.50000000       0.12500000 1.0 
      0.50000000       0.50000000       0.13461538 1.0 
      0.50000000       0.50000000       0.14423077 1.0 
      0.50000000       0.50000000       0.15384615 1.0 
      0.50000000       0.50000000       0.16346154 1.0 
      0.50000000       0.50000000       0.17307692 1.0 
      0.50000000       0.50000000       0.18269231 1.0 
      0.50000000       0.50000000       0.19230769 1.0 
      0.50000000       0.50000000       0.20192308 1.0 
      0.50000000       0.50000000       0.21153846 1.0 
      0.50000000       0.50000000       0.22115385 1.0 
      0.50000000       0.50000000       0.23076923 1.0 
      0.50000000       0.50000000       0.24038462 1.0 
      0.50000000       0.50000000       0.25000000 1.0 
      0.50000000       0.50000000       0.25961538 1.0 
      0.50000000       0.50000000       0.26923077 1.0 
      0.50000000       0.50000000       0.27884615 1.0 
      0.50000000       0.50000000       0.28846154 1.0 
      0.50000000       0.50000000       0.29807692 1.0 
      0.50000000       0.50000000       0.30769231 1.0 
      0.50000000       0.50000000       0.31730769 1.0 
      0.50000000       0.50000000       0.32692308 1.0 
      0.50000000       0.50000000       0.33653846 1.0 
      0.50000000       0.50000000       0.34615385 1.0 
      0.50000000       0.50000000       0.35576923 1.0 
      0.50000000       0.50000000       0.36538462 1.0 
      0.50000000       0.50000000       0.37500000 1.0 
      0.50000000       0.50000000       0.38461538 1.0 
      0.50000000       0.50000000       0.39423077 1.0 
      0.50000000       0.50000000       0.40384615 1.0 
      0.50000000       0.50000000       0.41346154 1.0 
      0.50000000       0.50000000       0.42307692 1.0 
      0.50000000       0.50000000       0.43269231 1.0 
      0.50000000       0.50000000       0.44230769 1.0 
      0.50000000       0.50000000       0.45192308 1.0 
      0.50000000       0.50000000       0.46153846 1.0 
      0.50000000       0.50000000       0.47115385 1.0 
      0.50000000       0.50000000       0.48076923 1.0 
      0.50000000       0.50000000       0.49038462 1.0 
      0.50000000       0.50000000       0.50000000 1.0 

