! Pwscf input file created with ciftopw.py 
! Compound: Zr3(SiCu)4
&control
         calculation     = 'bands'
         prefix          = 'Zr3xSiCux4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.2575694774015957
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8640605858088919
         celldm(5)       =           -0.6410069079059978
         celldm(6)       =            0.5050674937148900
         nat             =       11
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      237.00000000
         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
Zr  91.2240 Zr.rel-pbe-n-nc.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
335
      0.00000000       0.00000000       0.00000000 1.0 
     -0.00619501       0.00619501       0.00619501 1.0 
     -0.01239001       0.01239001       0.01239001 1.0 
     -0.01858502       0.01858502       0.01858502 1.0 
     -0.02478003       0.02478003       0.02478003 1.0 
     -0.03097503       0.03097503       0.03097503 1.0 
     -0.03717004       0.03717004       0.03717004 1.0 
     -0.04336505       0.04336505       0.04336505 1.0 
     -0.04956005       0.04956005       0.04956005 1.0 
     -0.05575506       0.05575506       0.05575506 1.0 
     -0.06195006       0.06195006       0.06195006 1.0 
     -0.06814507       0.06814507       0.06814507 1.0 
     -0.07434008       0.07434008       0.07434008 1.0 
     -0.08053508       0.08053508       0.08053508 1.0 
     -0.08673009       0.08673009       0.08673009 1.0 
     -0.09292510       0.09292510       0.09292510 1.0 
     -0.09912010       0.09912010       0.09912010 1.0 
     -0.10531511       0.10531511       0.10531511 1.0 
     -0.11151012       0.11151012       0.11151012 1.0 
     -0.11770512       0.11770512       0.11770512 1.0 
     -0.12390013       0.12390013       0.12390013 1.0 
     -0.13009514       0.13009514       0.13009514 1.0 
     -0.13629014       0.13629014       0.13629014 1.0 
     -0.14248515       0.14248515       0.14248515 1.0 
     -0.14868016       0.14868016       0.14868016 1.0 
     -0.15487516       0.15487516       0.15487516 1.0 
     -0.16107017       0.16107017       0.16107017 1.0 
     -0.16726518       0.16726518       0.16726518 1.0 
     -0.17346018       0.17346018       0.17346018 1.0 
     -0.17965519       0.17965519       0.17965519 1.0 
     -0.18585019       0.18585019       0.18585019 1.0 
     -0.19204520       0.19204520       0.19204520 1.0 
     -0.19824021       0.19824021       0.19824021 1.0 
     -0.20443521       0.20443521       0.20443521 1.0 
     -0.21063022       0.21063022       0.21063022 1.0 
     -0.21682523       0.21682523       0.21682523 1.0 
     -0.22302023       0.22302023       0.22302023 1.0 
     -0.22921524       0.22921524       0.22921524 1.0 
     -0.23541025       0.23541025       0.23541025 1.0 
     -0.24160525       0.24160525       0.24160525 1.0 
     -0.24780026       0.24780026       0.24780026 1.0 
     -0.25399527       0.25399527       0.25399527 1.0 
     -0.26019027       0.26019027       0.26019027 1.0 
     -0.26638528       0.26638528       0.26638528 1.0 
     -0.27258029       0.27258029       0.27258029 1.0 
     -0.27258029       0.27258029       0.27258029 1.0 
     -0.26256085       0.26256085       0.28259972 1.0 
     -0.25254141       0.25254141       0.29261916 1.0 
     -0.24252198       0.24252198       0.30263859 1.0 
     -0.23250254       0.23250254       0.31265803 1.0 
     -0.22248311       0.22248311       0.32267746 1.0 
     -0.21246367       0.21246367       0.33269690 1.0 
     -0.20244424       0.20244424       0.34271633 1.0 
     -0.19242480       0.19242480       0.35273577 1.0 
     -0.18240537       0.18240537       0.36275520 1.0 
     -0.17238593       0.17238593       0.37277464 1.0 
     -0.16236650       0.16236650       0.38279407 1.0 
     -0.15234706       0.15234706       0.39281351 1.0 
     -0.14232763       0.14232763       0.40283294 1.0 
     -0.13230819       0.13230819       0.41285238 1.0 
     -0.12228876       0.12228876       0.42287181 1.0 
     -0.11226932       0.11226932       0.43289125 1.0 
     -0.10224989       0.10224989       0.44291069 1.0 
     -0.09223045       0.09223045       0.45293012 1.0 
     -0.08221102       0.08221102       0.46294956 1.0 
     -0.08221102       0.08221102       0.46294956 1.0 
     -0.07046658       0.07046658       0.46824248 1.0 
     -0.05872215       0.05872215       0.47353540 1.0 
     -0.04697772       0.04697772       0.47882832 1.0 
     -0.03523329       0.03523329       0.48412124 1.0 
     -0.02348886       0.02348886       0.48941416 1.0 
     -0.01174443       0.01174443       0.49470708 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02083333       0.02083333       0.47916667 1.0 
      0.04166667       0.04166667       0.45833333 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.08333333       0.08333333       0.41666667 1.0 
      0.10416667       0.10416667       0.39583333 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14583333       0.14583333       0.35416667 1.0 
      0.16666667       0.16666667       0.33333333 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20833333       0.20833333       0.29166667 1.0 
      0.22916667       0.22916667       0.27083333 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.24000000       0.26000000       0.24000000 1.0 
      0.23000000       0.27000000       0.23000000 1.0 
      0.22000000       0.28000000       0.22000000 1.0 
      0.21000000       0.29000000       0.21000000 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
      0.19000000       0.31000000       0.19000000 1.0 
      0.18000000       0.32000000       0.18000000 1.0 
      0.17000000       0.33000000       0.17000000 1.0 
      0.16000000       0.34000000       0.16000000 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
      0.14000000       0.36000000       0.14000000 1.0 
      0.13000000       0.37000000       0.13000000 1.0 
      0.12000000       0.38000000       0.12000000 1.0 
      0.11000000       0.39000000       0.11000000 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.09000000       0.41000000       0.09000000 1.0 
      0.08000000       0.42000000       0.08000000 1.0 
      0.07000000       0.43000000       0.07000000 1.0 
      0.06000000       0.44000000       0.06000000 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.04000000       0.46000000       0.04000000 1.0 
      0.03000000       0.47000000       0.03000000 1.0 
      0.02000000       0.48000000       0.02000000 1.0 
      0.01000000       0.49000000       0.01000000 1.0 
     -0.00000000       0.50000000      -0.00000000 1.0 
     -0.00000000       0.50000000      -0.00000000 1.0 
      0.02096771       0.51749382      -0.02096771 1.0 
      0.04193543       0.53498765      -0.04193543 1.0 
      0.06290314       0.55248147      -0.06290314 1.0 
      0.08387086       0.56997530      -0.08387086 1.0 
      0.10483857       0.58746912      -0.10483857 1.0 
      0.12580629       0.60496295      -0.12580629 1.0 
      0.14677400       0.62245677      -0.14677400 1.0 
      0.16774171       0.63995059      -0.16774171 1.0 
      0.18870943       0.65744442      -0.18870943 1.0 
      0.20967714       0.67493824      -0.20967714 1.0 
      0.23064486       0.69243207      -0.23064486 1.0 
      0.25161257       0.70992589      -0.25161257 1.0 
      0.27258029       0.72741971      -0.27258029 1.0 
      0.27258029       0.72741971      -0.27258029 1.0 
      0.27872676       0.72127324      -0.27872676 1.0 
      0.28487324       0.71512676      -0.28487324 1.0 
      0.29101972       0.70898028      -0.29101972 1.0 
      0.29716620       0.70283380      -0.29716620 1.0 
      0.30331268       0.69668732      -0.30331268 1.0 
      0.30945916       0.69054084      -0.30945916 1.0 
      0.31560564       0.68439436      -0.31560564 1.0 
      0.32175212       0.67824788      -0.32175212 1.0 
      0.32789859       0.67210141      -0.32789859 1.0 
      0.33404507       0.66595493      -0.33404507 1.0 
      0.34019155       0.65980845      -0.34019155 1.0 
      0.34633803       0.65366197      -0.34633803 1.0 
      0.35248451       0.64751549      -0.35248451 1.0 
      0.35863099       0.64136901      -0.35863099 1.0 
      0.36477747       0.63522253      -0.36477747 1.0 
      0.37092395       0.62907605      -0.37092395 1.0 
      0.37707042       0.62292958      -0.37707042 1.0 
      0.38321690       0.61678310      -0.38321690 1.0 
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      0.39550986       0.60449014      -0.39550986 1.0 
      0.40165634       0.59834366      -0.40165634 1.0 
      0.40780282       0.59219718      -0.40780282 1.0 
      0.41394930       0.58605070      -0.41394930 1.0 
      0.42009578       0.57990422      -0.42009578 1.0 
      0.42624225       0.57375775      -0.42624225 1.0 
      0.43238873       0.56761127      -0.43238873 1.0 
      0.43853521       0.56146479      -0.43853521 1.0 
      0.44468169       0.55531831      -0.44468169 1.0 
      0.45082817       0.54917183      -0.45082817 1.0 
      0.45697465       0.54302535      -0.45697465 1.0 
      0.46312113       0.53687887      -0.46312113 1.0 
      0.46926761       0.53073239      -0.46926761 1.0 
      0.47541408       0.52458592      -0.47541408 1.0 
      0.48156056       0.51843944      -0.48156056 1.0 
      0.48770704       0.51229296      -0.48770704 1.0 
      0.49385352       0.50614648      -0.49385352 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.47916667       0.47916667      -0.47916667 1.0 
      0.45833333       0.45833333      -0.45833333 1.0 
      0.43750000       0.43750000      -0.43750000 1.0 
      0.41666667       0.41666667      -0.41666667 1.0 
      0.39583333       0.39583333      -0.39583333 1.0 
      0.37500000       0.37500000      -0.37500000 1.0 
      0.35416667       0.35416667      -0.35416667 1.0 
      0.33333333       0.33333333      -0.33333333 1.0 
      0.31250000       0.31250000      -0.31250000 1.0 
      0.29166667       0.29166667      -0.29166667 1.0 
      0.27083333       0.27083333      -0.27083333 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.22916667       0.22916667      -0.22916667 1.0 
      0.20833333       0.20833333      -0.20833333 1.0 
      0.18750000       0.18750000      -0.18750000 1.0 
      0.16666667       0.16666667      -0.16666667 1.0 
      0.14583333       0.14583333      -0.14583333 1.0 
      0.12500000       0.12500000      -0.12500000 1.0 
      0.10416667       0.10416667      -0.10416667 1.0 
      0.08333333       0.08333333      -0.08333333 1.0 
      0.06250000       0.06250000      -0.06250000 1.0 
      0.04166667       0.04166667      -0.04166667 1.0 
      0.02083333       0.02083333      -0.02083333 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00998809      -0.00998809       0.00998809 1.0 
      0.01997618      -0.01997618       0.01997618 1.0 
      0.02996426      -0.02996426       0.02996426 1.0 
      0.03995235      -0.03995235       0.03995235 1.0 
      0.04994044      -0.04994044       0.04994044 1.0 
      0.05992853      -0.05992853       0.05992853 1.0 
      0.06991662      -0.06991662       0.06991662 1.0 
      0.07990470      -0.07990470       0.07990470 1.0 
      0.08989279      -0.08989279       0.08989279 1.0 
      0.09988088      -0.09988088       0.09988088 1.0 
      0.10986897      -0.10986897       0.10986897 1.0 
      0.11985706      -0.11985706       0.11985706 1.0 
      0.12984514      -0.12984514       0.12984514 1.0 
      0.13983323      -0.13983323       0.13983323 1.0 
      0.14982132      -0.14982132       0.14982132 1.0 
      0.15980941      -0.15980941       0.15980941 1.0 
      0.16979750      -0.16979750       0.16979750 1.0 
      0.17978559      -0.17978559       0.17978559 1.0 
      0.18977367      -0.18977367       0.18977367 1.0 
      0.19976176      -0.19976176       0.19976176 1.0 
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      0.23971411      -0.23971411       0.23971411 1.0 
      0.24970220      -0.24970220       0.24970220 1.0 
      0.25969029      -0.25969029       0.25969029 1.0 
      0.26967838      -0.26967838       0.26967838 1.0 
      0.27966647      -0.27966647       0.27966647 1.0 
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      0.32322853      -0.28751425       0.28751425 1.0 
      0.33682634      -0.26539777       0.26539777 1.0 
      0.35042414      -0.24328129       0.24328129 1.0 
      0.36402195      -0.22116481       0.22116481 1.0 
      0.37761975      -0.19904833       0.19904833 1.0 
      0.39121756      -0.17693185       0.17693185 1.0 
      0.40481536      -0.15481536       0.15481536 1.0 
      0.41841317      -0.13269888       0.13269888 1.0 
      0.43201097      -0.11058240       0.11058240 1.0 
      0.44560878      -0.08846592       0.08846592 1.0 
      0.45920658      -0.06634944       0.06634944 1.0 
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      0.48640219      -0.02211648       0.02211648 1.0 
      0.50000000      -0.00000000       0.00000000 1.0 
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      0.48750000       0.01250000       0.01250000 1.0 
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      0.44375000       0.05625000       0.05625000 1.0 
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      0.43125000       0.06875000       0.06875000 1.0 
      0.42500000       0.07500000       0.07500000 1.0 
      0.41875000       0.08125000       0.08125000 1.0 
      0.41250000       0.08750000       0.08750000 1.0 
      0.40625000       0.09375000       0.09375000 1.0 
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      0.39375000       0.10625000       0.10625000 1.0 
      0.38750000       0.11250000       0.11250000 1.0 
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      0.37500000       0.12500000       0.12500000 1.0 
      0.36875000       0.13125000       0.13125000 1.0 
      0.36250000       0.13750000       0.13750000 1.0 
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      0.34375000       0.15625000       0.15625000 1.0 
      0.33750000       0.16250000       0.16250000 1.0 
      0.33125000       0.16875000       0.16875000 1.0 
      0.32500000       0.17500000       0.17500000 1.0 
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      0.30625000       0.19375000       0.19375000 1.0 
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      0.28750000       0.21250000       0.21250000 1.0 
      0.28125000       0.21875000       0.21875000 1.0 
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      0.17440820      -0.17440820       0.44485326 1.0 
      0.18055468      -0.18055468       0.43870678 1.0 
      0.18670115      -0.18670115       0.43256031 1.0 
      0.19284763      -0.19284763       0.42641383 1.0 
      0.19899411      -0.19899411       0.42026735 1.0 
      0.20514059      -0.20514059       0.41412087 1.0 
      0.21128707      -0.21128707       0.40797439 1.0 
      0.21743355      -0.21743355       0.40182791 1.0 
      0.22358003      -0.22358003       0.39568143 1.0 
      0.22972651      -0.22972651       0.38953495 1.0 
      0.23587298      -0.23587298       0.38338848 1.0 
      0.24201946      -0.24201946       0.37724200 1.0 
      0.24816594      -0.24816594       0.37109552 1.0 
      0.25431242      -0.25431242       0.36494904 1.0 
      0.26045890      -0.26045890       0.35880256 1.0 
      0.26660538      -0.26660538       0.35265608 1.0 
      0.27275186      -0.27275186       0.34650960 1.0 
      0.27889834      -0.27889834       0.34036312 1.0 
      0.28504481      -0.28504481       0.33421664 1.0 
      0.29119129      -0.29119129       0.32807017 1.0 
      0.29733777      -0.29733777       0.32192369 1.0 
      0.30348425      -0.30348425       0.31577721 1.0 
      0.30963073      -0.30963073       0.30963073 1.0 
      0.69036927       0.30963073      -0.30963073 1.0 
      0.68034983       0.31965017      -0.31965017 1.0 
      0.67033040       0.32966960      -0.32966960 1.0 
      0.66031096       0.33968904      -0.33968904 1.0 
      0.65029153       0.34970847      -0.34970847 1.0 
      0.64027209       0.35972791      -0.35972791 1.0 
      0.63025266       0.36974734      -0.36974734 1.0 
      0.62023322       0.37976678      -0.37976678 1.0 
      0.61021379       0.38978621      -0.38978621 1.0 
      0.60019435       0.39980565      -0.39980565 1.0 
      0.59017492       0.40982508      -0.40982508 1.0 
      0.58015548       0.41984452      -0.41984452 1.0 
      0.57013605       0.42986395      -0.42986395 1.0 
      0.56011661       0.43988339      -0.43988339 1.0 
      0.55009718       0.44990282      -0.44990282 1.0 
      0.54007774       0.45992226      -0.45992226 1.0 
      0.53005831       0.46994169      -0.46994169 1.0 
      0.52003887       0.47996113      -0.47996113 1.0 
      0.51001944       0.48998056      -0.48998056 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 

