! Pwscf input file created with pymatgen.py 
! Compound: AuSe
&control
         calculation     = 'bands'
         prefix          = 'AuSe'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.6196984659380842
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.3728396868961887
         celldm(4)       =            0.2529027417417118
         celldm(5)       =            0.2529027417417118
         celldm(6)       =            0.6775537235270085
         nat             =        4
         ntyp            =        2
         ecutwfc         =       42.00000000
         ecutrho         =      424.00000000
         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
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Au 196.9666 Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
385
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.01250000       0.00000000 1.0 
      0.02500000       0.02500000       0.00000000 1.0 
      0.03750000       0.03750000       0.00000000 1.0 
      0.05000000       0.05000000       0.00000000 1.0 
      0.06250000       0.06250000       0.00000000 1.0 
      0.07500000       0.07500000       0.00000000 1.0 
      0.08750000       0.08750000       0.00000000 1.0 
      0.10000000       0.10000000       0.00000000 1.0 
      0.11250000       0.11250000       0.00000000 1.0 
      0.12500000       0.12500000       0.00000000 1.0 
      0.13750000       0.13750000       0.00000000 1.0 
      0.15000000       0.15000000       0.00000000 1.0 
      0.16250000       0.16250000       0.00000000 1.0 
      0.17500000       0.17500000       0.00000000 1.0 
      0.18750000       0.18750000       0.00000000 1.0 
      0.20000000       0.20000000       0.00000000 1.0 
      0.21250000       0.21250000       0.00000000 1.0 
      0.22500000       0.22500000       0.00000000 1.0 
      0.23750000       0.23750000      -0.00000000 1.0 
      0.25000000       0.25000000       0.00000000 1.0 
      0.26250000       0.26250000       0.00000000 1.0 
      0.27500000       0.27500000       0.00000000 1.0 
      0.28750000       0.28750000       0.00000000 1.0 
      0.30000000       0.30000000       0.00000000 1.0 
      0.31250000       0.31250000       0.00000000 1.0 
      0.32500000       0.32500000       0.00000000 1.0 
      0.33750000       0.33750000       0.00000000 1.0 
      0.35000000       0.35000000       0.00000000 1.0 
      0.36250000       0.36250000       0.00000000 1.0 
      0.37500000       0.37500000       0.00000000 1.0 
      0.38750000       0.38750000       0.00000000 1.0 
      0.40000000       0.40000000       0.00000000 1.0 
      0.41250000       0.41250000       0.00000000 1.0 
      0.42500000       0.42500000       0.00000000 1.0 
      0.43750000       0.43750000       0.00000000 1.0 
      0.45000000       0.45000000       0.00000000 1.0 
      0.46250000       0.46250000       0.00000000 1.0 
      0.47500000       0.47500000      -0.00000000 1.0 
      0.48750000       0.48750000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50365242       0.50365242       0.01982653 1.0 
      0.50730484       0.50730484       0.03965306 1.0 
      0.51095725       0.51095725       0.05947960 1.0 
      0.51460967       0.51460967       0.07930613 1.0 
      0.51826209       0.51826209       0.09913266 1.0 
      0.52191451       0.52191451       0.11895919 1.0 
      0.52556693       0.52556693       0.13878573 1.0 
      0.52921934       0.52921934       0.15861226 1.0 
      0.53287176       0.53287176       0.17843879 1.0 
      0.53652418       0.53652418       0.19826532 1.0 
      0.54017660       0.54017660       0.21809186 1.0 
      0.54382902       0.54382902       0.23791839 1.0 
      0.54748143       0.54748143       0.25774492 1.0 
      0.55113385       0.55113385       0.27757145 1.0 
      0.55478627       0.55478627       0.29739799 1.0 
      0.55843869       0.55843869       0.31722452 1.0 
      0.55843869       0.55843869       0.31722452 1.0 
      0.55356880       0.55356880       0.33245581 1.0 
      0.54869891       0.54869891       0.34768710 1.0 
      0.54382902       0.54382902       0.36291839 1.0 
      0.53895913       0.53895913       0.37814968 1.0 
      0.53408923       0.53408923       0.39338097 1.0 
      0.52921934       0.52921934       0.40861226 1.0 
      0.52434945       0.52434945       0.42384355 1.0 
      0.51947956       0.51947956       0.43907484 1.0 
      0.51460967       0.51460967       0.45430613 1.0 
      0.50973978       0.50973978       0.46953742 1.0 
      0.50486989       0.50486989       0.48476871 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50571438       0.49428562       0.50000000 1.0 
      0.51142875       0.48857125       0.50000000 1.0 
      0.51714313       0.48285687       0.50000000 1.0 
      0.52285750       0.47714250       0.50000000 1.0 
      0.52857188       0.47142812       0.50000000 1.0 
      0.53428625       0.46571375       0.50000000 1.0 
      0.54000063       0.45999937       0.50000000 1.0 
      0.54571501       0.45428499       0.50000000 1.0 
      0.55142938       0.44857062       0.50000000 1.0 
      0.55714376       0.44285624       0.50000000 1.0 
      0.56285813       0.43714187       0.50000000 1.0 
      0.56857251       0.43142749       0.50000000 1.0 
      0.57428688       0.42571312       0.50000000 1.0 
      0.58000126       0.41999874       0.50000000 1.0 
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      0.59143001       0.40856999       0.50000000 1.0 
      0.59714439       0.40285561       0.50000000 1.0 
      0.60285876       0.39714124       0.50000000 1.0 
      0.60857314       0.39142686       0.50000000 1.0 
      0.61428751       0.38571249       0.50000000 1.0 
      0.62000189       0.37999811       0.50000000 1.0 
      0.62571626       0.37428374       0.50000000 1.0 
      0.63143064       0.36856936       0.50000000 1.0 
      0.63714502       0.36285498       0.50000000 1.0 
      0.64285939       0.35714061       0.50000000 1.0 
      0.64857377       0.35142623       0.50000000 1.0 
      0.65428814       0.34571186       0.50000000 1.0 
      0.66000252       0.33999748       0.50000000 1.0 
      0.66571689       0.33428311       0.50000000 1.0 
      0.67143127       0.32856873       0.50000000 1.0 
      0.67714565       0.32285435       0.50000000 1.0 
      0.68286002       0.31713998       0.50000000 1.0 
      0.68857440       0.31142560       0.50000000 1.0 
      0.69428877       0.30571123       0.50000000 1.0 
      0.70000315       0.29999685       0.50000000 1.0 
      0.70571752       0.29428248       0.50000000 1.0 
      0.71143190       0.28856810       0.50000000 1.0 
      0.71714628       0.28285372       0.50000000 1.0 
      0.28285372      -0.28285372       0.50000000 1.0 
      0.27708120      -0.27708120       0.50000000 1.0 
      0.27130867      -0.27130867       0.50000000 1.0 
      0.26553615      -0.26553615       0.50000000 1.0 
      0.25976362      -0.25976362       0.50000000 1.0 
      0.25399110      -0.25399110       0.50000000 1.0 
      0.24821857      -0.24821857       0.50000000 1.0 
      0.24244605      -0.24244605       0.50000000 1.0 
      0.23667352      -0.23667352       0.50000000 1.0 
      0.23090100      -0.23090100       0.50000000 1.0 
      0.22512847      -0.22512847       0.50000000 1.0 
      0.21935595      -0.21935595       0.50000000 1.0 
      0.21358342      -0.21358342       0.50000000 1.0 
      0.20781090      -0.20781090       0.50000000 1.0 
      0.20203837      -0.20203837       0.50000000 1.0 
      0.19626585      -0.19626585       0.50000000 1.0 
      0.19049332      -0.19049332       0.50000000 1.0 
      0.18472080      -0.18472080       0.50000000 1.0 
      0.17894827      -0.17894827       0.50000000 1.0 
      0.17317575      -0.17317575       0.50000000 1.0 
      0.16740322      -0.16740322       0.50000000 1.0 
      0.16163070      -0.16163070       0.50000000 1.0 
      0.15585817      -0.15585817       0.50000000 1.0 
      0.15008565      -0.15008565       0.50000000 1.0 
      0.14431312      -0.14431312       0.50000000 1.0 
      0.13854060      -0.13854060       0.50000000 1.0 
      0.13276807      -0.13276807       0.50000000 1.0 
      0.12699555      -0.12699555       0.50000000 1.0 
      0.12122302      -0.12122302       0.50000000 1.0 
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      0.10967797      -0.10967797       0.50000000 1.0 
      0.10390545      -0.10390545       0.50000000 1.0 
      0.09813292      -0.09813292       0.50000000 1.0 
      0.09236040      -0.09236040       0.50000000 1.0 
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      0.06349777      -0.06349777       0.50000000 1.0 
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      0.04618020      -0.04618020       0.50000000 1.0 
      0.04040767      -0.04040767       0.50000000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
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      0.05194839       0.05194839       0.52150300 1.0 
      0.06493549       0.06493549       0.52687875 1.0 
      0.07792258       0.07792258       0.53225450 1.0 
      0.09090968       0.09090968       0.53763025 1.0 
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      0.11688388       0.11688388       0.54838175 1.0 
      0.12987097       0.12987097       0.55375749 1.0 
      0.14285807       0.14285807       0.55913324 1.0 
      0.15584517       0.15584517       0.56450899 1.0 
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      0.18181936       0.18181936       0.57526049 1.0 
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      0.20779356       0.20779356       0.58601199 1.0 
      0.22078066       0.22078066       0.59138774 1.0 
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      0.25974195       0.25974195       0.60751499 1.0 
      0.27272905       0.27272905       0.61289074 1.0 
      0.28571614       0.28571614       0.61826649 1.0 
      0.29870324       0.29870324       0.62364224 1.0 
      0.31169034       0.31169034       0.62901799 1.0 
      0.32467744       0.32467744       0.63439374 1.0 
      0.33766453       0.33766453       0.63976949 1.0 
      0.35065163       0.35065163       0.64514524 1.0 
      0.36363873       0.36363873       0.65052098 1.0 
      0.37662582       0.37662582       0.65589673 1.0 
      0.38961292       0.38961292       0.66127248 1.0 
      0.40260002       0.40260002       0.66664823 1.0 
      0.41558712       0.41558712       0.67202398 1.0 
      0.42857421       0.42857421       0.67739973 1.0 
      0.44156131       0.44156131       0.68277548 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
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      0.12500000      -0.00000000       0.12500000 1.0 
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      0.01923077       0.00000000       0.01923077 1.0 
      0.00961538       0.00000000       0.00961538 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

