! Pwscf input file created with ciftopw.py 
! Compound: Sr2MnMoO6
&control
         calculation     = 'bands'
         prefix          = 'Sr2MnMoO6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.7037859468938006
         celldm(2)       =            1.0038310794110377
         celldm(3)       =            1.7336955950444790
         celldm(4)       =            0.5784428209979813
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         ntyp            =        4
         ecutwfc         =       80.00000000
         ecutrho         =      324.00000000
         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 
Mn  54.9380 Mn.rel-pbe-oncvpsp.UPF 
Mo  95.9400 Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Sr  87.6200 Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
233
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02500000 1.0 
      0.00000000       0.00000000       0.05000000 1.0 
      0.00000000       0.00000000       0.07500000 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.12500000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.17500000 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.22500000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27500000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.32500000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000       0.00000000       0.37500000 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.42500000 1.0 
      0.00000000       0.00000000       0.45000000 1.0 
      0.00000000       0.00000000       0.47500000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01784830       0.51783075 1.0 
      0.00000000       0.03569661       0.53566150 1.0 
      0.00000000       0.05354491       0.55349224 1.0 
      0.00000000       0.07139321       0.57132299 1.0 
      0.00000000       0.08924151       0.58915374 1.0 
      0.00000000       0.10708982       0.60698449 1.0 
      0.00000000       0.12493812       0.62481524 1.0 
      0.00000000       0.14278642       0.64264598 1.0 
      0.00000000       0.16063472       0.66047673 1.0 
      0.00000000       0.17848303       0.67830748 1.0 
      0.00000000       0.19633133       0.69613823 1.0 
      0.00000000       0.21417963       0.71396898 1.0 
      0.00000000       0.23202793       0.73179972 1.0 
      0.00000000       0.24987624       0.74963047 1.0 
      0.00000000       0.26772454       0.76746122 1.0 
      0.00000000       0.28557284       0.78529197 1.0 
      0.00000000       0.30342114       0.80312272 1.0 
      0.00000000       0.32126945       0.82095346 1.0 
      0.00000000       0.33911775       0.83878421 1.0 
      0.00000000       0.35696605       0.85661496 1.0 
      0.00000000       0.37481435       0.87444571 1.0 
      0.00000000       0.39266266       0.89227646 1.0 
      0.00000000       0.41051096       0.91010720 1.0 
      0.00000000       0.42835926       0.92793795 1.0 
      0.00000000       0.44620756       0.94576870 1.0 
      0.00000000       0.46405587       0.96359945 1.0 
      0.00000000       0.48190417       0.98143020 1.0 
      0.00000000       0.49975247       0.99926094 1.0 
      0.00000000       0.49975247       0.99926094 1.0 
      0.00000000       0.49976485       0.97429790 1.0 
      0.00000000       0.49977722       0.94933485 1.0 
      0.00000000       0.49978960       0.92437180 1.0 
      0.00000000       0.49980198       0.89940876 1.0 
      0.00000000       0.49981435       0.87444571 1.0 
      0.00000000       0.49982673       0.84948266 1.0 
      0.00000000       0.49983911       0.82451961 1.0 
      0.00000000       0.49985148       0.79955657 1.0 
      0.00000000       0.49986386       0.77459352 1.0 
      0.00000000       0.49987624       0.74963047 1.0 
      0.00000000       0.49988861       0.72466743 1.0 
      0.00000000       0.49990099       0.69970438 1.0 
      0.00000000       0.49991337       0.67474133 1.0 
      0.00000000       0.49992574       0.64977828 1.0 
      0.00000000       0.49993812       0.62481524 1.0 
      0.00000000       0.49995049       0.59985219 1.0 
      0.00000000       0.49996287       0.57488914 1.0 
      0.00000000       0.49997525       0.54992609 1.0 
      0.00000000       0.49998762       0.52496305 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.01785714       0.50000000       0.50000000 1.0 
      0.03571429       0.50000000       0.50000000 1.0 
      0.05357143       0.50000000       0.50000000 1.0 
      0.07142857       0.50000000       0.50000000 1.0 
      0.08928571       0.50000000       0.50000000 1.0 
      0.10714286       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.14285714       0.50000000       0.50000000 1.0 
      0.16071429       0.50000000       0.50000000 1.0 
      0.17857143       0.50000000       0.50000000 1.0 
      0.19642857       0.50000000       0.50000000 1.0 
      0.21428571       0.50000000       0.50000000 1.0 
      0.23214286       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.26785714       0.50000000       0.50000000 1.0 
      0.28571429       0.50000000       0.50000000 1.0 
      0.30357143       0.50000000       0.50000000 1.0 
      0.32142857       0.50000000       0.50000000 1.0 
      0.33928571       0.50000000       0.50000000 1.0 
      0.35714286       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.39285714       0.50000000       0.50000000 1.0 
      0.41071429       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.44642857       0.50000000       0.50000000 1.0 
      0.46428571       0.50000000       0.50000000 1.0 
      0.48214286       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50001238       0.47503695 1.0 
      0.50000000       0.50002475       0.45007391 1.0 
      0.50000000       0.50003713       0.42511086 1.0 
      0.50000000       0.50004951       0.40014781 1.0 
      0.50000000       0.50006188       0.37518476 1.0 
      0.50000000       0.50007426       0.35022172 1.0 
      0.50000000       0.50008663       0.32525867 1.0 
      0.50000000       0.50009901       0.30029562 1.0 
      0.50000000       0.50011139       0.27533257 1.0 
      0.50000000       0.50012376       0.25036953 1.0 
      0.50000000       0.50013614       0.22540648 1.0 
      0.50000000       0.50014852       0.20044343 1.0 
      0.50000000       0.50016089       0.17548039 1.0 
      0.50000000       0.50017327       0.15051734 1.0 
      0.50000000       0.50018565       0.12555429 1.0 
      0.50000000       0.50019802       0.10059124 1.0 
      0.50000000       0.50021040       0.07562820 1.0 
      0.50000000       0.50022278       0.05066515 1.0 
      0.50000000       0.50023515       0.02570210 1.0 
      0.50000000       0.50024753       0.00073906 1.0 
      0.50000000       0.50024753       0.00073906 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.50000000       0.50000000       0.00000000 1.0 
      0.48214286       0.50000000       0.00000000 1.0 
      0.46428571       0.50000000       0.00000000 1.0 
      0.44642857       0.50000000       0.00000000 1.0 
      0.42857143       0.50000000       0.00000000 1.0 
      0.41071429       0.50000000       0.00000000 1.0 
      0.39285714       0.50000000       0.00000000 1.0 
      0.37500000       0.50000000       0.00000000 1.0 
      0.35714286       0.50000000       0.00000000 1.0 
      0.33928571       0.50000000       0.00000000 1.0 
      0.32142857       0.50000000       0.00000000 1.0 
      0.30357143       0.50000000       0.00000000 1.0 
      0.28571429       0.50000000       0.00000000 1.0 
      0.26785714       0.50000000       0.00000000 1.0 
      0.25000000       0.50000000       0.00000000 1.0 
      0.23214286       0.50000000       0.00000000 1.0 
      0.21428571       0.50000000       0.00000000 1.0 
      0.19642857       0.50000000       0.00000000 1.0 
      0.17857143       0.50000000       0.00000000 1.0 
      0.16071429       0.50000000       0.00000000 1.0 
      0.14285714       0.50000000       0.00000000 1.0 
      0.12500000       0.50000000       0.00000000 1.0 
      0.10714286       0.50000000       0.00000000 1.0 
      0.08928571       0.50000000       0.00000000 1.0 
      0.07142857       0.50000000       0.00000000 1.0 
      0.05357143       0.50000000       0.00000000 1.0 
      0.03571429       0.50000000       0.00000000 1.0 
      0.01785714       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
      0.00000000       0.50024753       0.00073906 1.0 
      0.50000000       0.49975247       0.99926094 1.0 
      0.50000000       0.48190417       0.98143020 1.0 
      0.50000000       0.46405587       0.96359945 1.0 
      0.50000000       0.44620756       0.94576870 1.0 
      0.50000000       0.42835926       0.92793795 1.0 
      0.50000000       0.41051096       0.91010720 1.0 
      0.50000000       0.39266266       0.89227646 1.0 
      0.50000000       0.37481435       0.87444571 1.0 
      0.50000000       0.35696605       0.85661496 1.0 
      0.50000000       0.33911775       0.83878421 1.0 
      0.50000000       0.32126945       0.82095346 1.0 
      0.50000000       0.30342114       0.80312272 1.0 
      0.50000000       0.28557284       0.78529197 1.0 
      0.50000000       0.26772454       0.76746122 1.0 
      0.50000000       0.24987624       0.74963047 1.0 
      0.50000000       0.23202793       0.73179972 1.0 
      0.50000000       0.21417963       0.71396898 1.0 
      0.50000000       0.19633133       0.69613823 1.0 
      0.50000000       0.17848303       0.67830748 1.0 
      0.50000000       0.16063472       0.66047673 1.0 
      0.50000000       0.14278642       0.64264598 1.0 
      0.50000000       0.12493812       0.62481524 1.0 
      0.50000000       0.10708982       0.60698449 1.0 
      0.50000000       0.08924151       0.58915374 1.0 
      0.50000000       0.07139321       0.57132299 1.0 
      0.50000000       0.05354491       0.55349224 1.0 
      0.50000000       0.03569661       0.53566150 1.0 
      0.50000000       0.01784830       0.51783075 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47500000 1.0 
      0.50000000       0.00000000       0.45000000 1.0 
      0.50000000       0.00000000       0.42500000 1.0 
      0.50000000       0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.37500000 1.0 
      0.50000000       0.00000000       0.35000000 1.0 
      0.50000000       0.00000000       0.32500000 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.27500000 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22500000 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.17500000 1.0 
      0.50000000       0.00000000       0.15000000 1.0 
      0.50000000       0.00000000       0.12500000 1.0 
      0.50000000       0.00000000       0.10000000 1.0 
      0.50000000       0.00000000       0.07500000 1.0 
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      0.50000000       0.00000000       0.02500000 1.0 
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      0.00000000       0.00000000       0.50000000 1.0 
      0.01785714       0.00000000       0.50000000 1.0 
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      0.05357143       0.00000000       0.50000000 1.0 
      0.07142857       0.00000000       0.50000000 1.0 
      0.08928571       0.00000000       0.50000000 1.0 
      0.10714286       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.14285714       0.00000000       0.50000000 1.0 
      0.16071429       0.00000000       0.50000000 1.0 
      0.17857143       0.00000000       0.50000000 1.0 
      0.19642857       0.00000000       0.50000000 1.0 
      0.21428571       0.00000000       0.50000000 1.0 
      0.23214286       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.26785714       0.00000000       0.50000000 1.0 
      0.28571429       0.00000000       0.50000000 1.0 
      0.30357143       0.00000000       0.50000000 1.0 
      0.32142857       0.00000000       0.50000000 1.0 
      0.33928571       0.00000000       0.50000000 1.0 
      0.35714286       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.39285714       0.00000000       0.50000000 1.0 
      0.41071429       0.00000000       0.50000000 1.0 
      0.42857143       0.00000000       0.50000000 1.0 
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      0.46428571       0.00000000       0.50000000 1.0 
      0.48214286       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

