! Pwscf input file created with pymatgen.py 
! Compound: SrSi3Ni
&control
         calculation     = 'bands'
         prefix          = 'SrSi3Ni'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.8178745143517183
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.7313954565147243
         celldm(5)       =           -0.7313954565147243
         celldm(6)       =            0.4627909130294486
         nat             =        5
         ntyp            =        3
         ecutwfc         =       44.00000000
         ecutrho         =      263.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
350
      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 
     -0.00918124       0.00918124       0.50000000 1.0 
     -0.01836247       0.01836247       0.50000000 1.0 
     -0.02754371       0.02754371       0.50000000 1.0 
     -0.03672494       0.03672494       0.50000000 1.0 
     -0.04590618       0.04590618       0.50000000 1.0 
     -0.05508741       0.05508741       0.50000000 1.0 
     -0.06426865       0.06426865       0.50000000 1.0 
     -0.07344988       0.07344988       0.50000000 1.0 
     -0.08263112       0.08263112       0.50000000 1.0 
     -0.09181235       0.09181235       0.50000000 1.0 
     -0.09181235       0.09181235       0.50000000 1.0 
     -0.09839602       0.09839602       0.49341633 1.0 
     -0.10497969       0.10497969       0.48683266 1.0 
     -0.11156337       0.11156337       0.48024898 1.0 
     -0.11814704       0.11814704       0.47366531 1.0 
     -0.12473071       0.12473071       0.46708164 1.0 
     -0.13131438       0.13131438       0.46049797 1.0 
     -0.13789805       0.13789805       0.45391430 1.0 
     -0.14448172       0.14448172       0.44733063 1.0 
     -0.15106540       0.15106540       0.44074695 1.0 
     -0.15764907       0.15764907       0.43416328 1.0 
     -0.16423274       0.16423274       0.42757961 1.0 
     -0.17081641       0.17081641       0.42099594 1.0 
     -0.17740008       0.17740008       0.41441227 1.0 
     -0.18398376       0.18398376       0.40782860 1.0 
     -0.19056743       0.19056743       0.40124492 1.0 
     -0.19715110       0.19715110       0.39466125 1.0 
     -0.20373477       0.20373477       0.38807758 1.0 
     -0.21031844       0.21031844       0.38149391 1.0 
     -0.21690211       0.21690211       0.37491024 1.0 
     -0.22348579       0.22348579       0.36832656 1.0 
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     -0.23665313       0.23665313       0.35515922 1.0 
     -0.24323680       0.24323680       0.34857555 1.0 
     -0.24982047       0.24982047       0.34199188 1.0 
     -0.25640414       0.25640414       0.33540821 1.0 
     -0.26298782       0.26298782       0.32882453 1.0 
     -0.26957149       0.26957149       0.32224086 1.0 
     -0.27615516       0.27615516       0.31565719 1.0 
     -0.28273883       0.28273883       0.30907352 1.0 
     -0.28932250       0.28932250       0.30248985 1.0 
     -0.29590618       0.29590618       0.29590618 1.0 
     -0.29590618       0.29590618       0.29590618 1.0 
     -0.28933048       0.28933048       0.28933048 1.0 
     -0.28275479       0.28275479       0.28275479 1.0 
     -0.27617910       0.27617910       0.27617910 1.0 
     -0.26960340       0.26960340       0.26960340 1.0 
     -0.26302771       0.26302771       0.26302771 1.0 
     -0.25645202       0.25645202       0.25645202 1.0 
     -0.24987633       0.24987633       0.24987633 1.0 
     -0.24330063       0.24330063       0.24330063 1.0 
     -0.23672494       0.23672494       0.23672494 1.0 
     -0.23014925       0.23014925       0.23014925 1.0 
     -0.22357355       0.22357355       0.22357355 1.0 
     -0.21699786       0.21699786       0.21699786 1.0 
     -0.21042217       0.21042217       0.21042217 1.0 
     -0.20384648       0.20384648       0.20384648 1.0 
     -0.19727078       0.19727078       0.19727078 1.0 
     -0.19069509       0.19069509       0.19069509 1.0 
     -0.18411940       0.18411940       0.18411940 1.0 
     -0.17754371       0.17754371       0.17754371 1.0 
     -0.17096801       0.17096801       0.17096801 1.0 
     -0.16439232       0.16439232       0.16439232 1.0 
     -0.15781663       0.15781663       0.15781663 1.0 
     -0.15124093       0.15124093       0.15124093 1.0 
     -0.14466524       0.14466524       0.14466524 1.0 
     -0.13808955       0.13808955       0.13808955 1.0 
     -0.13151386       0.13151386       0.13151386 1.0 
     -0.12493816       0.12493816       0.12493816 1.0 
     -0.11836247       0.11836247       0.11836247 1.0 
     -0.11178678       0.11178678       0.11178678 1.0 
     -0.10521108       0.10521108       0.10521108 1.0 
     -0.09863539       0.09863539       0.09863539 1.0 
     -0.09205970       0.09205970       0.09205970 1.0 
     -0.08548401       0.08548401       0.08548401 1.0 
     -0.07890831       0.07890831       0.07890831 1.0 
     -0.07233262       0.07233262       0.07233262 1.0 
     -0.06575693       0.06575693       0.06575693 1.0 
     -0.05918124       0.05918124       0.05918124 1.0 
     -0.05260554       0.05260554       0.05260554 1.0 
     -0.04602985       0.04602985       0.04602985 1.0 
     -0.03945416       0.03945416       0.03945416 1.0 
     -0.03287846       0.03287846       0.03287846 1.0 
     -0.02630277       0.02630277       0.02630277 1.0 
     -0.01972708       0.01972708       0.01972708 1.0 
     -0.01315139       0.01315139       0.01315139 1.0 
     -0.00657569       0.00657569       0.00657569 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
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      0.03030303       0.03030303      -0.03030303 1.0 
      0.04545455       0.04545455      -0.04545455 1.0 
      0.06060606       0.06060606      -0.06060606 1.0 
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      0.16666667       0.16666667      -0.16666667 1.0 
      0.18181818       0.18181818      -0.18181818 1.0 
      0.19696970       0.19696970      -0.19696970 1.0 
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      0.30303030       0.30303030      -0.30303030 1.0 
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      0.33333333       0.33333333      -0.33333333 1.0 
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      0.39393939       0.39393939      -0.39393939 1.0 
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      0.48484848       0.48484848      -0.48484848 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49341633       0.50658367      -0.49341633 1.0 
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      0.41441227       0.58558773      -0.41441227 1.0 
      0.40782860       0.59217140      -0.40782860 1.0 
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      0.38807758       0.61192242      -0.38807758 1.0 
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      0.34857555       0.65142445      -0.34857555 1.0 
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      0.50000000       0.50000000      -0.43506106 1.0 
      0.50000000       0.50000000      -0.44433805 1.0 
      0.50000000       0.50000000      -0.45361504 1.0 
      0.50000000       0.50000000      -0.46289203 1.0 
      0.50000000       0.50000000      -0.47216902 1.0 
      0.50000000       0.50000000      -0.48144602 1.0 
      0.50000000       0.50000000      -0.49072301 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01470588       0.01470588       0.48529412 1.0 
      0.02941176       0.02941176       0.47058824 1.0 
      0.04411765       0.04411765       0.45588235 1.0 
      0.05882353       0.05882353       0.44117647 1.0 
      0.07352941       0.07352941       0.42647059 1.0 
      0.08823529       0.08823529       0.41176471 1.0 
      0.10294118       0.10294118       0.39705882 1.0 
      0.11764706       0.11764706       0.38235294 1.0 
      0.13235294       0.13235294       0.36764706 1.0 
      0.14705882       0.14705882       0.35294118 1.0 
      0.16176471       0.16176471       0.33823529 1.0 
      0.17647059       0.17647059       0.32352941 1.0 
      0.19117647       0.19117647       0.30882353 1.0 
      0.20588235       0.20588235       0.29411765 1.0 
      0.22058824       0.22058824       0.27941176 1.0 
      0.23529412       0.23529412       0.26470588 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

