! Pwscf input file created with ciftopw.py 
! Compound: Hg2WO4
&control
         calculation     = 'bands'
         prefix          = 'Hg2WO4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.6241077901557794
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.6841464124996491
         celldm(4)       =            0.2545307614287317
         celldm(5)       =            0.2545307614287317
         celldm(6)       =           -0.2668716372346853
         nat             =       14
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      416.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 W 183.8400 W.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
270
      0.00000000       0.00000000       0.00000000 1.0 
      0.01262562       0.01262562       0.00086594 1.0 
      0.02525124       0.02525124       0.00173187 1.0 
      0.03787686       0.03787686       0.00259781 1.0 
      0.05050249       0.05050249       0.00346374 1.0 
      0.06312811       0.06312811       0.00432968 1.0 
      0.07575373       0.07575373       0.00519562 1.0 
      0.08837935       0.08837935       0.00606155 1.0 
      0.10100497       0.10100497       0.00692749 1.0 
      0.11363059       0.11363059       0.00779342 1.0 
      0.12625622       0.12625622       0.00865936 1.0 
      0.13888184       0.13888184       0.00952530 1.0 
      0.15150746       0.15150746       0.01039123 1.0 
      0.16413308       0.16413308       0.01125717 1.0 
      0.17675870       0.17675870       0.01212310 1.0 
      0.18938432       0.18938432       0.01298904 1.0 
      0.20200995       0.20200995       0.01385498 1.0 
      0.21463557       0.21463557       0.01472091 1.0 
      0.22726119       0.22726119       0.01558685 1.0 
      0.23988681       0.23988681       0.01645278 1.0 
      0.25251243       0.25251243       0.01731872 1.0 
      0.26513805       0.26513805       0.01818466 1.0 
      0.27776368       0.27776368       0.01905059 1.0 
      0.29038930       0.29038930       0.01991653 1.0 
      0.30301492       0.30301492       0.02078246 1.0 
      0.31564054       0.31564054       0.02164840 1.0 
      0.32826616       0.32826616       0.02251433 1.0 
      0.34089178       0.34089178       0.02338027 1.0 
      0.35351741       0.35351741       0.02424621 1.0 
      0.36614303       0.36614303       0.02511214 1.0 
      0.37876865       0.37876865       0.02597808 1.0 
      0.37876865       0.37876865       0.02597808 1.0 
      0.38456055       0.38456055       0.04154597 1.0 
      0.39035244       0.39035244       0.05711385 1.0 
      0.39614434       0.39614434       0.07268174 1.0 
      0.40193624       0.40193624       0.08824963 1.0 
      0.40772814       0.40772814       0.10381751 1.0 
      0.41352004       0.41352004       0.11938540 1.0 
      0.41931193       0.41931193       0.13495329 1.0 
      0.42510383       0.42510383       0.15052117 1.0 
      0.43089573       0.43089573       0.16608906 1.0 
      0.43668763       0.43668763       0.18165695 1.0 
      0.44247952       0.44247952       0.19722483 1.0 
      0.44827142       0.44827142       0.21279272 1.0 
      0.45406332       0.45406332       0.22836061 1.0 
      0.45985522       0.45985522       0.24392849 1.0 
      0.46564712       0.46564712       0.25949638 1.0 
      0.47143901       0.47143901       0.27506427 1.0 
      0.47723091       0.47723091       0.29063216 1.0 
      0.48302281       0.48302281       0.30620004 1.0 
      0.48881471       0.48881471       0.32176793 1.0 
      0.49460660       0.49460660       0.33733582 1.0 
      0.50039850       0.50039850       0.35290370 1.0 
      0.50619040       0.50619040       0.36847159 1.0 
      0.51198230       0.51198230       0.38403948 1.0 
      0.51777420       0.51777420       0.39960736 1.0 
      0.52356609       0.52356609       0.41517525 1.0 
      0.52935799       0.52935799       0.43074314 1.0 
      0.53514989       0.53514989       0.44631102 1.0 
      0.53514989       0.53514989       0.44631102 1.0 
      0.52929157       0.52929157       0.45525919 1.0 
      0.52343326       0.52343326       0.46420735 1.0 
      0.51757494       0.51757494       0.47315551 1.0 
      0.51171663       0.51171663       0.48210367 1.0 
      0.50585831       0.50585831       0.49105184 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.51652953       0.48347047       0.50000000 1.0 
      0.53305906       0.46694094       0.50000000 1.0 
      0.54958860       0.45041140       0.50000000 1.0 
      0.56611813       0.43388187       0.50000000 1.0 
      0.58264766       0.41735234       0.50000000 1.0 
      0.59917719       0.40082281       0.50000000 1.0 
      0.61570672       0.38429328       0.50000000 1.0 
      0.38429328      -0.38429328       0.50000000 1.0 
      0.36682540      -0.36682540       0.50000000 1.0 
      0.34935752      -0.34935752       0.50000000 1.0 
      0.33188965      -0.33188965       0.50000000 1.0 
      0.31442177      -0.31442177       0.50000000 1.0 
      0.29695390      -0.29695390       0.50000000 1.0 
      0.27948602      -0.27948602       0.50000000 1.0 
      0.26201814      -0.26201814       0.50000000 1.0 
      0.24455027      -0.24455027       0.50000000 1.0 
      0.22708239      -0.22708239       0.50000000 1.0 
      0.20961451      -0.20961451       0.50000000 1.0 
      0.19214664      -0.19214664       0.50000000 1.0 
      0.17467876      -0.17467876       0.50000000 1.0 
      0.15721089      -0.15721089       0.50000000 1.0 
      0.13974301      -0.13974301       0.50000000 1.0 
      0.12227513      -0.12227513       0.50000000 1.0 
      0.10480726      -0.10480726       0.50000000 1.0 
      0.08733938      -0.08733938       0.50000000 1.0 
      0.06987150      -0.06987150       0.50000000 1.0 
      0.05240363      -0.05240363       0.50000000 1.0 
      0.03493575      -0.03493575       0.50000000 1.0 
      0.01746788      -0.01746788       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01308161       0.01308161       0.50621442 1.0 
      0.02616322       0.02616322       0.51242884 1.0 
      0.03924484       0.03924484       0.51864326 1.0 
      0.05232645       0.05232645       0.52485768 1.0 
      0.06540806       0.06540806       0.53107210 1.0 
      0.07848967       0.07848967       0.53728652 1.0 
      0.09157129       0.09157129       0.54350094 1.0 
      0.10465290       0.10465290       0.54971536 1.0 
      0.11773451       0.11773451       0.55592978 1.0 
      0.13081612       0.13081612       0.56214420 1.0 
      0.14389774       0.14389774       0.56835862 1.0 
      0.15697935       0.15697935       0.57457304 1.0 
      0.17006096       0.17006096       0.58078746 1.0 
      0.18314257       0.18314257       0.58700188 1.0 
      0.19622418       0.19622418       0.59321629 1.0 
      0.20930580       0.20930580       0.59943071 1.0 
      0.22238741       0.22238741       0.60564513 1.0 
      0.22238741       0.22238741       0.60564513 1.0 
      0.23340844       0.23340844       0.60328349 1.0 
      0.24442947       0.24442947       0.60092185 1.0 
      0.25545050       0.25545050       0.59856020 1.0 
      0.26647154       0.26647154       0.59619856 1.0 
      0.27749257       0.27749257       0.59383692 1.0 
      0.28851360       0.28851360       0.59147527 1.0 
      0.29953463       0.29953463       0.58911363 1.0 
      0.31055566       0.31055566       0.58675199 1.0 
      0.32157670       0.32157670       0.58439034 1.0 
      0.33259773       0.33259773       0.58202870 1.0 
      0.34361876       0.34361876       0.57966706 1.0 
      0.35463979       0.35463979       0.57730541 1.0 
      0.36566082       0.36566082       0.57494377 1.0 
      0.37668186       0.37668186       0.57258212 1.0 
      0.38770289       0.38770289       0.57022048 1.0 
      0.39872392       0.39872392       0.56785884 1.0 
      0.40974495       0.40974495       0.56549719 1.0 
      0.42076598       0.42076598       0.56313555 1.0 
      0.43178702       0.43178702       0.56077391 1.0 
      0.44280805       0.44280805       0.55841226 1.0 
      0.45382908       0.45382908       0.55605062 1.0 
      0.46485011       0.46485011       0.55368898 1.0 
      0.77761259      -0.22238741       0.39435487 1.0 
      0.77182069      -0.22817931       0.37878698 1.0 
      0.76602880      -0.23397120       0.36321909 1.0 
      0.76023690      -0.23976310       0.34765121 1.0 
      0.75444500      -0.24555500       0.33208332 1.0 
      0.74865310      -0.25134690       0.31651543 1.0 
      0.74286120      -0.25713880       0.30094754 1.0 
      0.73706931      -0.26293069       0.28537966 1.0 
      0.73127741      -0.26872259       0.26981177 1.0 
      0.72548551      -0.27451449       0.25424388 1.0 
      0.71969361      -0.28030639       0.23867600 1.0 
      0.71390172      -0.28609828       0.22310811 1.0 
      0.70810982      -0.29189018       0.20754022 1.0 
      0.70231792      -0.29768208       0.19197234 1.0 
      0.69652602      -0.30347398       0.17640445 1.0 
      0.69073412      -0.30926588       0.16083656 1.0 
      0.68494223      -0.31505777       0.14526868 1.0 
      0.67915033      -0.32084967       0.12970079 1.0 
      0.67335843      -0.32664157       0.11413290 1.0 
      0.66756653      -0.33243347       0.09856502 1.0 
      0.66177464      -0.33822536       0.08299713 1.0 
      0.65598274      -0.34401726       0.06742924 1.0 
      0.65019084      -0.34980916       0.05186136 1.0 
      0.64439894      -0.35560106       0.03629347 1.0 
      0.63860704      -0.36139296       0.02072558 1.0 
      0.63281515      -0.36718485       0.00515769 1.0 
      0.62702325      -0.37297675      -0.01041019 1.0 
      0.62123135      -0.37876865      -0.02597808 1.0 
      0.62123135      -0.37876865      -0.02597808 1.0 
      0.61021032      -0.38978968      -0.02361644 1.0 
      0.59918929      -0.40081071      -0.02125479 1.0 
      0.58816826      -0.41183174      -0.01889315 1.0 
      0.57714722      -0.42285278      -0.01653150 1.0 
      0.56612619      -0.43387381      -0.01416986 1.0 
      0.55510516      -0.44489484      -0.01180822 1.0 
      0.54408413      -0.45591587      -0.00944657 1.0 
      0.53306310      -0.46693690      -0.00708493 1.0 
      0.52204206      -0.47795794      -0.00472329 1.0 
      0.51102103      -0.48897897      -0.00236164 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.48214286      -0.48214286       0.00000000 1.0 
      0.46428571      -0.46428571       0.00000000 1.0 
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      0.42857143      -0.42857143       0.00000000 1.0 
      0.41071429      -0.41071429       0.00000000 1.0 
      0.39285714      -0.39285714       0.00000000 1.0 
      0.37500000      -0.37500000       0.00000000 1.0 
      0.35714286      -0.35714286       0.00000000 1.0 
      0.33928571      -0.33928571       0.00000000 1.0 
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      0.30357143      -0.30357143       0.00000000 1.0 
      0.28571429      -0.28571429       0.00000000 1.0 
      0.26785714      -0.26785714       0.00000000 1.0 
      0.25000000      -0.25000000       0.00000000 1.0 
      0.23214286      -0.23214286       0.00000000 1.0 
      0.21428571      -0.21428571       0.00000000 1.0 
      0.19642857      -0.19642857       0.00000000 1.0 
      0.17857143      -0.17857143       0.00000000 1.0 
      0.16071429      -0.16071429       0.00000000 1.0 
      0.14285714      -0.14285714       0.00000000 1.0 
      0.12500000      -0.12500000       0.00000000 1.0 
      0.10714286      -0.10714286       0.00000000 1.0 
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      0.07142857      -0.07142857       0.00000000 1.0 
      0.05357143      -0.05357143       0.00000000 1.0 
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      0.01388889      -0.00000000       0.01388889 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

