! Pwscf input file created with ciftopw.py 
! Compound: Cs2HgF4
&control
         calculation     = 'bands'
         prefix          = 'Cs2HgF4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.0453989617448798
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8312733308188353
         celldm(5)       =           -0.8312733308188353
         celldm(6)       =            0.6625466616376704
         nat             =        7
         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
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
300
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000      -0.00000000       0.01020408 1.0 
      0.00000000      -0.00000000       0.02040816 1.0 
     -0.00000000      -0.00000000       0.03061224 1.0 
      0.00000000      -0.00000000       0.04081633 1.0 
     -0.00000000      -0.00000000       0.05102041 1.0 
     -0.00000000      -0.00000000       0.06122449 1.0 
     -0.00000000      -0.00000000       0.07142857 1.0 
      0.00000000      -0.00000000       0.08163265 1.0 
     -0.00000000       0.00000000       0.09183673 1.0 
     -0.00000000      -0.00000000       0.10204082 1.0 
     -0.00000000      -0.00000000       0.11224490 1.0 
     -0.00000000      -0.00000000       0.12244898 1.0 
     -0.00000000      -0.00000000       0.13265306 1.0 
     -0.00000000      -0.00000000       0.14285714 1.0 
     -0.00000000       0.00000000       0.15306122 1.0 
      0.00000000      -0.00000000       0.16326531 1.0 
     -0.00000000       0.00000000       0.17346939 1.0 
     -0.00000000       0.00000000       0.18367347 1.0 
     -0.00000000      -0.00000000       0.19387755 1.0 
     -0.00000000      -0.00000000       0.20408163 1.0 
     -0.00000000       0.00000000       0.21428571 1.0 
     -0.00000000      -0.00000000       0.22448980 1.0 
     -0.00000000      -0.00000000       0.23469388 1.0 
     -0.00000000      -0.00000000       0.24489796 1.0 
     -0.00000000       0.00000000       0.25510204 1.0 
     -0.00000000      -0.00000000       0.26530612 1.0 
     -0.00000000       0.00000000       0.27551020 1.0 
     -0.00000000      -0.00000000       0.28571429 1.0 
     -0.00000000      -0.00000000       0.29591837 1.0 
     -0.00000000       0.00000000       0.30612245 1.0 
     -0.00000000      -0.00000000       0.31632653 1.0 
      0.00000000      -0.00000000       0.32653061 1.0 
     -0.00000000       0.00000000       0.33673469 1.0 
     -0.00000000       0.00000000       0.34693878 1.0 
     -0.00000000      -0.00000000       0.35714286 1.0 
     -0.00000000       0.00000000       0.36734694 1.0 
     -0.00000000       0.00000000       0.37755102 1.0 
     -0.00000000      -0.00000000       0.38775510 1.0 
      0.00000000      -0.00000000       0.39795918 1.0 
     -0.00000000      -0.00000000       0.40816327 1.0 
     -0.00000000       0.00000000       0.41836735 1.0 
     -0.00000000       0.00000000       0.42857143 1.0 
     -0.00000000       0.00000000       0.43877551 1.0 
     -0.00000000      -0.00000000       0.44897959 1.0 
     -0.00000000      -0.00000000       0.45918367 1.0 
     -0.00000000      -0.00000000       0.46938776 1.0 
     -0.00000000      -0.00000000       0.47959184 1.0 
     -0.00000000      -0.00000000       0.48979592 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.00000000      -0.00000000       0.50000000 1.0 
     -0.01014869       0.01014869       0.50000000 1.0 
     -0.02029738       0.02029738       0.50000000 1.0 
     -0.03044606       0.03044606       0.50000000 1.0 
     -0.04059475       0.04059475       0.50000000 1.0 
     -0.05074344       0.05074344       0.50000000 1.0 
     -0.05074344       0.05074344       0.50000000 1.0 
     -0.05798951       0.05798951       0.49275393 1.0 
     -0.06523559       0.06523559       0.48550785 1.0 
     -0.07248166       0.07248166       0.47826178 1.0 
     -0.07972773       0.07972773       0.47101571 1.0 
     -0.08697381       0.08697381       0.46376963 1.0 
     -0.09421988       0.09421988       0.45652356 1.0 
     -0.10146595       0.10146595       0.44927749 1.0 
     -0.10871203       0.10871203       0.44203141 1.0 
     -0.11595810       0.11595810       0.43478534 1.0 
     -0.12320417       0.12320417       0.42753926 1.0 
     -0.13045025       0.13045025       0.42029319 1.0 
     -0.13769632       0.13769632       0.41304712 1.0 
     -0.14494240       0.14494240       0.40580104 1.0 
     -0.15218847       0.15218847       0.39855497 1.0 
     -0.15943454       0.15943454       0.39130890 1.0 
     -0.16668062       0.16668062       0.38406282 1.0 
     -0.17392669       0.17392669       0.37681675 1.0 
     -0.18117276       0.18117276       0.36957068 1.0 
     -0.18841884       0.18841884       0.36232460 1.0 
     -0.19566491       0.19566491       0.35507853 1.0 
     -0.20291098       0.20291098       0.34783246 1.0 
     -0.21015706       0.21015706       0.34058638 1.0 
     -0.21740313       0.21740313       0.33334031 1.0 
     -0.22464920       0.22464920       0.32609423 1.0 
     -0.23189528       0.23189528       0.31884816 1.0 
     -0.23914135       0.23914135       0.31160209 1.0 
     -0.24638743       0.24638743       0.30435601 1.0 
     -0.25363350       0.25363350       0.29710994 1.0 
     -0.26087957       0.26087957       0.28986387 1.0 
     -0.26812565       0.26812565       0.28261779 1.0 
     -0.27537172       0.27537172       0.27537172 1.0 
     -0.27537172       0.27537172       0.27537172 1.0 
     -0.26812510       0.26812510       0.26812510 1.0 
     -0.26087847       0.26087847       0.26087847 1.0 
     -0.25363185       0.25363185       0.25363185 1.0 
     -0.24638522       0.24638522       0.24638522 1.0 
     -0.23913860       0.23913860       0.23913860 1.0 
     -0.23189197       0.23189197       0.23189197 1.0 
     -0.22464535       0.22464535       0.22464535 1.0 
     -0.21739873       0.21739873       0.21739873 1.0 
     -0.21015210       0.21015210       0.21015210 1.0 
     -0.20290548       0.20290548       0.20290548 1.0 
     -0.19565885       0.19565885       0.19565885 1.0 
     -0.18841223       0.18841223       0.18841223 1.0 
     -0.18116560       0.18116560       0.18116560 1.0 
     -0.17391898       0.17391898       0.17391898 1.0 
     -0.16667236       0.16667236       0.16667236 1.0 
     -0.15942573       0.15942573       0.15942573 1.0 
     -0.15217911       0.15217911       0.15217911 1.0 
     -0.14493248       0.14493248       0.14493248 1.0 
     -0.13768586       0.13768586       0.13768586 1.0 
     -0.13043924       0.13043924       0.13043924 1.0 
     -0.12319261       0.12319261       0.12319261 1.0 
     -0.11594599       0.11594599       0.11594599 1.0 
     -0.10869936       0.10869936       0.10869936 1.0 
     -0.10145274       0.10145274       0.10145274 1.0 
     -0.09420611       0.09420611       0.09420611 1.0 
     -0.08695949       0.08695949       0.08695949 1.0 
     -0.07971287       0.07971287       0.07971287 1.0 
     -0.07246624       0.07246624       0.07246624 1.0 
     -0.06521962       0.06521962       0.06521962 1.0 
     -0.05797299       0.05797299       0.05797299 1.0 
     -0.05072637       0.05072637       0.05072637 1.0 
     -0.04347975       0.04347975       0.04347975 1.0 
     -0.03623312       0.03623312       0.03623312 1.0 
     -0.02898650       0.02898650       0.02898650 1.0 
     -0.02173987       0.02173987       0.02173987 1.0 
     -0.01449325       0.01449325       0.01449325 1.0 
     -0.00724662       0.00724662       0.00724662 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02272727       0.02272727      -0.02272727 1.0 
      0.04545455       0.04545455      -0.04545455 1.0 
      0.06818182       0.06818182      -0.06818182 1.0 
      0.09090909       0.09090909      -0.09090909 1.0 
      0.11363636       0.11363636      -0.11363636 1.0 
      0.13636364       0.13636364      -0.13636364 1.0 
      0.15909091       0.15909091      -0.15909091 1.0 
      0.18181818       0.18181818      -0.18181818 1.0 
      0.20454545       0.20454545      -0.20454545 1.0 
      0.22727273       0.22727273      -0.22727273 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.27272727       0.27272727      -0.27272727 1.0 
      0.29545455       0.29545455      -0.29545455 1.0 
      0.31818182       0.31818182      -0.31818182 1.0 
      0.34090909       0.34090909      -0.34090909 1.0 
      0.36363636       0.36363636      -0.36363636 1.0 
      0.38636364       0.38636364      -0.38636364 1.0 
      0.40909091       0.40909091      -0.40909091 1.0 
      0.43181818       0.43181818      -0.43181818 1.0 
      0.45454545       0.45454545      -0.45454545 1.0 
      0.47727273       0.47727273      -0.47727273 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49275393       0.50724607      -0.49275393 1.0 
      0.48550785       0.51449215      -0.48550785 1.0 
      0.47826178       0.52173822      -0.47826178 1.0 
      0.47101571       0.52898429      -0.47101571 1.0 
      0.46376963       0.53623037      -0.46376963 1.0 
      0.45652356       0.54347644      -0.45652356 1.0 
      0.44927749       0.55072251      -0.44927749 1.0 
      0.44203141       0.55796859      -0.44203141 1.0 
      0.43478534       0.56521466      -0.43478534 1.0 
      0.42753926       0.57246074      -0.42753926 1.0 
      0.42029319       0.57970681      -0.42029319 1.0 
      0.41304712       0.58695288      -0.41304712 1.0 
      0.40580104       0.59419896      -0.40580104 1.0 
      0.39855497       0.60144503      -0.39855497 1.0 
      0.39130890       0.60869110      -0.39130890 1.0 
      0.38406282       0.61593718      -0.38406282 1.0 
      0.37681675       0.62318325      -0.37681675 1.0 
      0.36957068       0.63042932      -0.36957068 1.0 
      0.36232460       0.63767540      -0.36232460 1.0 
      0.35507853       0.64492147      -0.35507853 1.0 
      0.34783246       0.65216754      -0.34783246 1.0 
      0.34058638       0.65941362      -0.34058638 1.0 
      0.33334031       0.66665969      -0.33334031 1.0 
      0.32609423       0.67390577      -0.32609423 1.0 
      0.31884816       0.68115184      -0.31884816 1.0 
      0.31160209       0.68839791      -0.31160209 1.0 
      0.30435601       0.69564399      -0.30435601 1.0 
      0.29710994       0.70289006      -0.29710994 1.0 
      0.28986387       0.71013613      -0.28986387 1.0 
      0.28261779       0.71738221      -0.28261779 1.0 
      0.27537172       0.72462828      -0.27537172 1.0 
      0.27537172       0.72462828      -0.27537172 1.0 
      0.25242408       0.70590926      -0.25242408 1.0 
      0.22947643       0.68719023      -0.22947643 1.0 
      0.20652879       0.66847121      -0.20652879 1.0 
      0.18358115       0.64975219      -0.18358115 1.0 
      0.16063350       0.63103316      -0.16063350 1.0 
      0.13768586       0.61231414      -0.13768586 1.0 
      0.11473822       0.59359512      -0.11473822 1.0 
      0.09179057       0.57487609      -0.09179057 1.0 
      0.06884293       0.55615707      -0.06884293 1.0 
      0.04589529       0.53743805      -0.04589529 1.0 
      0.02294764       0.51871902      -0.02294764 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00735294       0.49264706       0.00735294 1.0 
      0.01470588       0.48529412       0.01470588 1.0 
      0.02205882       0.47794118       0.02205882 1.0 
      0.02941176       0.47058824       0.02941176 1.0 
      0.03676471       0.46323529       0.03676471 1.0 
      0.04411765       0.45588235       0.04411765 1.0 
      0.05147059       0.44852941       0.05147059 1.0 
      0.05882353       0.44117647       0.05882353 1.0 
      0.06617647       0.43382353       0.06617647 1.0 
      0.07352941       0.42647059       0.07352941 1.0 
      0.08088235       0.41911765       0.08088235 1.0 
      0.08823529       0.41176471       0.08823529 1.0 
      0.09558824       0.40441176       0.09558824 1.0 
      0.10294118       0.39705882       0.10294118 1.0 
      0.11029412       0.38970588       0.11029412 1.0 
      0.11764706       0.38235294       0.11764706 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
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      0.14705882       0.35294118       0.14705882 1.0 
      0.15441176       0.34558824       0.15441176 1.0 
      0.16176471       0.33823529       0.16176471 1.0 
      0.16911765       0.33088235       0.16911765 1.0 
      0.17647059       0.32352941       0.17647059 1.0 
      0.18382353       0.31617647       0.18382353 1.0 
      0.19117647       0.30882353       0.19117647 1.0 
      0.19852941       0.30147059       0.19852941 1.0 
      0.20588235       0.29411765       0.20588235 1.0 
      0.21323529       0.28676471       0.21323529 1.0 
      0.22058824       0.27941176       0.22058824 1.0 
      0.22794118       0.27205882       0.22794118 1.0 
      0.23529412       0.26470588       0.23529412 1.0 
      0.24264706       0.25735294       0.24264706 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.27083333       0.27083333       0.22493805 1.0 
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      0.31250000       0.31250000       0.17481414 1.0 
      0.33333333       0.33333333       0.14975219 1.0 
      0.35416667       0.35416667       0.12469023 1.0 
      0.37500000       0.37500000       0.09962828 1.0 
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      0.41666667       0.41666667       0.04950437 1.0 
      0.43750000       0.43750000       0.02444242 1.0 
      0.45833333       0.45833333      -0.00061953 1.0 
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      0.04545455       0.04545455       0.45454545 1.0 
      0.06818182       0.06818182       0.43181818 1.0 
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      0.13636364       0.13636364       0.36363636 1.0 
      0.15909091       0.15909091       0.34090909 1.0 
      0.18181818       0.18181818       0.31818182 1.0 
      0.20454545       0.20454545       0.29545455 1.0 
      0.22727273       0.22727273       0.27272727 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

