! Pwscf input file created with ciftopw.py 
! Compound: CdHg2SO6
&control
         calculation     = 'bands'
         prefix          = 'CdHg2SO6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.8369086432770008
         celldm(2)       =            1.0606506698071545
         celldm(3)       =            1.0833210658030326
         celldm(4)       =            0.2886307705460806
         celldm(5)       =            0.3986690388183409
         celldm(6)       =            0.4531505443668768
         nat             =       20
         ntyp            =        4
         ecutwfc         =       47.00000000
         ecutrho         =      639.00000000
         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
 S  32.0650 S.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Hg 200.5900 Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cd 112.4110 Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
204
      0.50000000       0.00000000       0.00000000 1.0 
      0.48214286       0.00000000       0.00000000 1.0 
      0.46428571       0.00000000       0.00000000 1.0 
      0.44642857       0.00000000       0.00000000 1.0 
      0.42857143       0.00000000       0.00000000 1.0 
      0.41071429       0.00000000       0.00000000 1.0 
      0.39285714       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.35714286      -0.00000000       0.00000000 1.0 
      0.33928571       0.00000000       0.00000000 1.0 
      0.32142857       0.00000000      -0.00000000 1.0 
      0.30357143      -0.00000000       0.00000000 1.0 
      0.28571429       0.00000000      -0.00000000 1.0 
      0.26785714       0.00000000      -0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.23214286       0.00000000       0.00000000 1.0 
      0.21428571       0.00000000       0.00000000 1.0 
      0.19642857       0.00000000       0.00000000 1.0 
      0.17857143       0.00000000       0.00000000 1.0 
      0.16071429       0.00000000       0.00000000 1.0 
      0.14285714       0.00000000      -0.00000000 1.0 
      0.12500000      -0.00000000      -0.00000000 1.0 
      0.10714286      -0.00000000       0.00000000 1.0 
      0.08928571      -0.00000000       0.00000000 1.0 
      0.07142857       0.00000000      -0.00000000 1.0 
      0.05357143      -0.00000000       0.00000000 1.0 
      0.03571429       0.00000000      -0.00000000 1.0 
      0.01785714      -0.00000000      -0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.02000000       0.00000000 1.0 
      0.00000000       0.04000000       0.00000000 1.0 
      0.00000000       0.06000000       0.00000000 1.0 
      0.00000000       0.08000000       0.00000000 1.0 
      0.00000000       0.10000000       0.00000000 1.0 
      0.00000000       0.12000000       0.00000000 1.0 
      0.00000000       0.14000000       0.00000000 1.0 
      0.00000000       0.16000000       0.00000000 1.0 
      0.00000000       0.18000000       0.00000000 1.0 
      0.00000000       0.20000000       0.00000000 1.0 
      0.00000000       0.22000000       0.00000000 1.0 
      0.00000000       0.24000000       0.00000000 1.0 
      0.00000000       0.26000000       0.00000000 1.0 
      0.00000000       0.28000000       0.00000000 1.0 
      0.00000000       0.30000000       0.00000000 1.0 
      0.00000000       0.32000000       0.00000000 1.0 
      0.00000000       0.34000000       0.00000000 1.0 
      0.00000000       0.36000000       0.00000000 1.0 
      0.00000000       0.38000000       0.00000000 1.0 
      0.00000000       0.40000000       0.00000000 1.0 
      0.00000000       0.42000000       0.00000000 1.0 
      0.00000000       0.44000000       0.00000000 1.0 
      0.00000000       0.46000000       0.00000000 1.0 
      0.00000000       0.48000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48275862       0.48275862       0.00000000 1.0 
      0.46551724       0.46551724       0.00000000 1.0 
      0.44827586       0.44827586      -0.00000000 1.0 
      0.43103448       0.43103448       0.00000000 1.0 
      0.41379310       0.41379310      -0.00000000 1.0 
      0.39655172       0.39655172      -0.00000000 1.0 
      0.37931034       0.37931034      -0.00000000 1.0 
      0.36206897       0.36206897       0.00000000 1.0 
      0.34482759       0.34482759      -0.00000000 1.0 
      0.32758621       0.32758621      -0.00000000 1.0 
      0.31034483       0.31034483       0.00000000 1.0 
      0.29310345       0.29310345       0.00000000 1.0 
      0.27586207       0.27586207       0.00000000 1.0 
      0.25862069       0.25862069       0.00000000 1.0 
      0.24137931       0.24137931      -0.00000000 1.0 
      0.22413793       0.22413793       0.00000000 1.0 
      0.20689655       0.20689655      -0.00000000 1.0 
      0.18965517       0.18965517      -0.00000000 1.0 
      0.17241379       0.17241379      -0.00000000 1.0 
      0.15517241       0.15517241       0.00000000 1.0 
      0.13793103       0.13793103       0.00000000 1.0 
      0.12068966       0.12068966      -0.00000000 1.0 
      0.10344828       0.10344828       0.00000000 1.0 
      0.08620690       0.08620690      -0.00000000 1.0 
      0.06896552       0.06896552       0.00000000 1.0 
      0.05172414       0.05172414       0.00000000 1.0 
      0.03448276       0.03448276      -0.00000000 1.0 
      0.01724138       0.01724138       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02083333 1.0 
      0.00000000       0.00000000       0.04166667 1.0 
      0.00000000       0.00000000       0.06250000 1.0 
      0.00000000       0.00000000       0.08333333 1.0 
      0.00000000       0.00000000       0.10416667 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.14583333 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.18750000 1.0 
      0.00000000       0.00000000       0.20833333 1.0 
      0.00000000       0.00000000       0.22916667 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27083333 1.0 
      0.00000000       0.00000000       0.29166667 1.0 
      0.00000000       0.00000000       0.31250000 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.35416667 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.39583333 1.0 
      0.00000000       0.00000000       0.41666667 1.0 
      0.00000000       0.00000000       0.43750000 1.0 
      0.00000000       0.00000000       0.45833333 1.0 
      0.00000000       0.00000000       0.47916667 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48333333       0.00000000       0.48333333 1.0 
      0.46666667       0.00000000       0.46666667 1.0 
      0.45000000       0.00000000       0.45000000 1.0 
      0.43333333       0.00000000       0.43333333 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.38333333       0.00000000       0.38333333 1.0 
      0.36666667       0.00000000       0.36666667 1.0 
      0.35000000       0.00000000       0.35000000 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.31666667      -0.00000000       0.31666667 1.0 
      0.30000000      -0.00000000       0.30000000 1.0 
      0.28333333       0.00000000       0.28333333 1.0 
      0.26666667       0.00000000       0.26666667 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23333333       0.00000000       0.23333333 1.0 
      0.21666667       0.00000000       0.21666667 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.18333333      -0.00000000       0.18333333 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15000000       0.00000000       0.15000000 1.0 
      0.13333333      -0.00000000       0.13333333 1.0 
      0.11666667       0.00000000       0.11666667 1.0 
      0.10000000       0.00000000       0.10000000 1.0 
      0.08333333       0.00000000       0.08333333 1.0 
      0.06666667      -0.00000000       0.06666667 1.0 
      0.05000000       0.00000000       0.05000000 1.0 
      0.03333333       0.00000000       0.03333333 1.0 
      0.01666667      -0.00000000       0.01666667 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.01562500       0.01562500 1.0 
      0.00000000       0.03125000       0.03125000 1.0 
      0.00000000       0.04687500       0.04687500 1.0 
      0.00000000       0.06250000       0.06250000 1.0 
      0.00000000       0.07812500       0.07812500 1.0 
      0.00000000       0.09375000       0.09375000 1.0 
      0.00000000       0.10937500       0.10937500 1.0 
      0.00000000       0.12500000       0.12500000 1.0 
      0.00000000       0.14062500       0.14062500 1.0 
      0.00000000       0.15625000       0.15625000 1.0 
      0.00000000       0.17187500       0.17187500 1.0 
      0.00000000       0.18750000       0.18750000 1.0 
      0.00000000       0.20312500       0.20312500 1.0 
      0.00000000       0.21875000       0.21875000 1.0 
      0.00000000       0.23437500       0.23437500 1.0 
      0.00000000       0.25000000       0.25000000 1.0 
      0.00000000       0.26562500       0.26562500 1.0 
      0.00000000       0.28125000       0.28125000 1.0 
      0.00000000       0.29687500       0.29687500 1.0 
      0.00000000       0.31250000       0.31250000 1.0 
      0.00000000       0.32812500       0.32812500 1.0 
      0.00000000       0.34375000       0.34375000 1.0 
      0.00000000       0.35937500       0.35937500 1.0 
      0.00000000       0.37500000       0.37500000 1.0 
      0.00000000       0.39062500       0.39062500 1.0 
      0.00000000       0.40625000       0.40625000 1.0 
      0.00000000       0.42187500       0.42187500 1.0 
      0.00000000       0.43750000       0.43750000 1.0 
      0.00000000       0.45312500       0.45312500 1.0 
      0.00000000       0.46875000       0.46875000 1.0 
      0.00000000       0.48437500       0.48437500 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48275862       0.48275862       0.48275862 1.0 
      0.46551724       0.46551724       0.46551724 1.0 
      0.44827586       0.44827586       0.44827586 1.0 
      0.43103448       0.43103448       0.43103448 1.0 
      0.41379310       0.41379310       0.41379310 1.0 
      0.39655172       0.39655172       0.39655172 1.0 
      0.37931034       0.37931034       0.37931034 1.0 
      0.36206897       0.36206897       0.36206897 1.0 
      0.34482759       0.34482759       0.34482759 1.0 
      0.32758621       0.32758621       0.32758621 1.0 
      0.31034483       0.31034483       0.31034483 1.0 
      0.29310345       0.29310345       0.29310345 1.0 
      0.27586207       0.27586207       0.27586207 1.0 
      0.25862069       0.25862069       0.25862069 1.0 
      0.24137931       0.24137931       0.24137931 1.0 
      0.22413793       0.22413793       0.22413793 1.0 
      0.20689655       0.20689655       0.20689655 1.0 
      0.18965517       0.18965517       0.18965517 1.0 
      0.17241379       0.17241379       0.17241379 1.0 
      0.15517241       0.15517241       0.15517241 1.0 
      0.13793103       0.13793103       0.13793103 1.0 
      0.12068966       0.12068966       0.12068966 1.0 
      0.10344828       0.10344828       0.10344828 1.0 
      0.08620690       0.08620690       0.08620690 1.0 
      0.06896552       0.06896552       0.06896552 1.0 
      0.05172414       0.05172414       0.05172414 1.0 
      0.03448276       0.03448276       0.03448276 1.0 
      0.01724138       0.01724138       0.01724138 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

