! Pwscf input file created with ciftopw.py 
! Compound: MnSi2O5
&control
         calculation     = 'bands'
         prefix          = 'MnSi2O5'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            9.7598513794747142
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.2746163544814695
         celldm(4)       =            0.2538112808577311
         celldm(5)       =            0.2538112808577311
         celldm(6)       =           -0.2484410003754116
         nat             =       16
         ntyp            =        3
         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 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
313
      0.00000000       0.00000000       0.00000000 1.0 
      0.00953570       0.00953570       0.00308491 1.0 
      0.01907140       0.01907140       0.00616983 1.0 
      0.02860711       0.02860711       0.00925474 1.0 
      0.03814281       0.03814281       0.01233966 1.0 
      0.04767851       0.04767851       0.01542457 1.0 
      0.05721421       0.05721421       0.01850949 1.0 
      0.06674992       0.06674992       0.02159440 1.0 
      0.07628562       0.07628562       0.02467931 1.0 
      0.08582132       0.08582132       0.02776423 1.0 
      0.09535702       0.09535702       0.03084914 1.0 
      0.10489273       0.10489273       0.03393406 1.0 
      0.11442843       0.11442843       0.03701897 1.0 
      0.12396413       0.12396413       0.04010389 1.0 
      0.13349983       0.13349983       0.04318880 1.0 
      0.14303554       0.14303554       0.04627371 1.0 
      0.15257124       0.15257124       0.04935863 1.0 
      0.16210694       0.16210694       0.05244354 1.0 
      0.17164264       0.17164264       0.05552846 1.0 
      0.18117835       0.18117835       0.05861337 1.0 
      0.19071405       0.19071405       0.06169829 1.0 
      0.20024975       0.20024975       0.06478320 1.0 
      0.20978545       0.20978545       0.06786811 1.0 
      0.21932116       0.21932116       0.07095303 1.0 
      0.22885686       0.22885686       0.07403794 1.0 
      0.23839256       0.23839256       0.07712286 1.0 
      0.24792826       0.24792826       0.08020777 1.0 
      0.25746397       0.25746397       0.08329269 1.0 
      0.26699967       0.26699967       0.08637760 1.0 
      0.27653537       0.27653537       0.08946251 1.0 
      0.28607107       0.28607107       0.09254743 1.0 
      0.29560678       0.29560678       0.09563234 1.0 
      0.30514248       0.30514248       0.09871726 1.0 
      0.31467818       0.31467818       0.10180217 1.0 
      0.32421388       0.32421388       0.10488708 1.0 
      0.33374959       0.33374959       0.10797200 1.0 
      0.34328529       0.34328529       0.11105691 1.0 
      0.35282099       0.35282099       0.11414183 1.0 
      0.36235669       0.36235669       0.11722674 1.0 
      0.37189240       0.37189240       0.12031166 1.0 
      0.38142810       0.38142810       0.12339657 1.0 
      0.39096380       0.39096380       0.12648148 1.0 
      0.40049950       0.40049950       0.12956640 1.0 
      0.40049950       0.40049950       0.12956640 1.0 
      0.40452530       0.40452530       0.14978358 1.0 
      0.40855110       0.40855110       0.17000077 1.0 
      0.41257690       0.41257690       0.19021795 1.0 
      0.41660270       0.41660270       0.21043513 1.0 
      0.42062850       0.42062850       0.23065231 1.0 
      0.42465430       0.42465430       0.25086950 1.0 
      0.42868010       0.42868010       0.27108668 1.0 
      0.43270589       0.43270589       0.29130386 1.0 
      0.43673169       0.43673169       0.31152105 1.0 
      0.44075749       0.44075749       0.33173823 1.0 
      0.44478329       0.44478329       0.35195541 1.0 
      0.44880909       0.44880909       0.37217260 1.0 
      0.45283489       0.45283489       0.39238978 1.0 
      0.45686069       0.45686069       0.41260696 1.0 
      0.46088649       0.46088649       0.43282415 1.0 
      0.46491229       0.46491229       0.45304133 1.0 
      0.46893808       0.46893808       0.47325851 1.0 
      0.46893808       0.46893808       0.47325851 1.0 
      0.46386856       0.46386856       0.48483687 1.0 
      0.45879904       0.45879904       0.49641524 1.0 
      0.45372951       0.45372951       0.50799360 1.0 
      0.44865999       0.44865999       0.51957196 1.0 
      0.44359046       0.44359046       0.53115032 1.0 
      0.43852094       0.43852094       0.54272868 1.0 
      0.43345141       0.43345141       0.55430705 1.0 
      0.42838189       0.42838189       0.56588541 1.0 
      0.42331236       0.42331236       0.57746377 1.0 
      0.41824284       0.41824284       0.58904213 1.0 
      0.41317331       0.41317331       0.60062049 1.0 
      0.40810379       0.40810379       0.61219886 1.0 
      0.40303427       0.40303427       0.62377722 1.0 
      0.39796474       0.39796474       0.63535558 1.0 
      0.39289522       0.39289522       0.64693394 1.0 
      0.38782569       0.38782569       0.65851230 1.0 
      0.38275617       0.38275617       0.67009067 1.0 
      0.37768664       0.37768664       0.68166903 1.0 
      0.37261712       0.37261712       0.69324739 1.0 
      0.36754759       0.36754759       0.70482575 1.0 
      0.36247807       0.36247807       0.71640411 1.0 
      0.35740854       0.35740854       0.72798248 1.0 
      0.35233902       0.35233902       0.73956084 1.0 
      0.34726949       0.34726949       0.75113920 1.0 
      0.34219997       0.34219997       0.76271756 1.0 
      0.33713045       0.33713045       0.77429592 1.0 
      0.33206092       0.33206092       0.78587429 1.0 
      0.33206092       0.33206092       0.78587429 1.0 
      0.32199847       0.32199847       0.77721143 1.0 
      0.31193602       0.31193602       0.76854857 1.0 
      0.30187356       0.30187356       0.75988571 1.0 
      0.29181111       0.29181111       0.75122286 1.0 
      0.28174866       0.28174866       0.74256000 1.0 
      0.27168621       0.27168621       0.73389714 1.0 
      0.26162376       0.26162376       0.72523429 1.0 
      0.25156130       0.25156130       0.71657143 1.0 
      0.24149885       0.24149885       0.70790857 1.0 
      0.23143640       0.23143640       0.69924571 1.0 
      0.22137395       0.22137395       0.69058286 1.0 
      0.21131150       0.21131150       0.68192000 1.0 
      0.20124904       0.20124904       0.67325714 1.0 
      0.19118659       0.19118659       0.66459429 1.0 
      0.18112414       0.18112414       0.65593143 1.0 
      0.17106169       0.17106169       0.64726857 1.0 
      0.16099923       0.16099923       0.63860571 1.0 
      0.15093678       0.15093678       0.62994286 1.0 
      0.14087433       0.14087433       0.62128000 1.0 
      0.13081188       0.13081188       0.61261714 1.0 
      0.12074943       0.12074943       0.60395429 1.0 
      0.11068697       0.11068697       0.59529143 1.0 
      0.10062452       0.10062452       0.58662857 1.0 
      0.09056207       0.09056207       0.57796571 1.0 
      0.08049962       0.08049962       0.56930286 1.0 
      0.07043717       0.07043717       0.56064000 1.0 
      0.06037471       0.06037471       0.55197714 1.0 
      0.05031226       0.05031226       0.54331429 1.0 
      0.04024981       0.04024981       0.53465143 1.0 
      0.03018736       0.03018736       0.52598857 1.0 
      0.02012490       0.02012490       0.51732571 1.0 
      0.01006245       0.01006245       0.50866286 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01282051      -0.01282051       0.50000000 1.0 
      0.02564103      -0.02564103       0.50000000 1.0 
      0.03846154      -0.03846154       0.50000000 1.0 
      0.05128205      -0.05128205       0.50000000 1.0 
      0.06410256      -0.06410256       0.50000000 1.0 
      0.07692308      -0.07692308       0.50000000 1.0 
      0.08974359      -0.08974359       0.50000000 1.0 
      0.10256410      -0.10256410       0.50000000 1.0 
      0.11538462      -0.11538462       0.50000000 1.0 
      0.12820513      -0.12820513       0.50000000 1.0 
      0.14102564      -0.14102564       0.50000000 1.0 
      0.15384615      -0.15384615       0.50000000 1.0 
      0.16666667      -0.16666667       0.50000000 1.0 
      0.17948718      -0.17948718       0.50000000 1.0 
      0.19230769      -0.19230769       0.50000000 1.0 
      0.20512821      -0.20512821       0.50000000 1.0 
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      0.23076923      -0.23076923       0.50000000 1.0 
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      0.66793908      -0.33206092       0.21412571 1.0 
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      0.65586168      -0.34413832       0.15347417 1.0 
      0.65183588      -0.34816412       0.13325698 1.0 
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      0.60755210      -0.39244790      -0.08913203 1.0 
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      0.59950050      -0.40049950      -0.12956640 1.0 
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      0.57960040      -0.42039960      -0.10365312 1.0 
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      0.56633366      -0.43366634      -0.08637760 1.0 
      0.55970030      -0.44029970      -0.07773984 1.0 
      0.55306693      -0.44693307      -0.06910208 1.0 
      0.54643357      -0.45356643      -0.06046432 1.0 
      0.53980020      -0.46019980      -0.05182656 1.0 
      0.53316683      -0.46683317      -0.04318880 1.0 
      0.52653347      -0.47346653      -0.03455104 1.0 
      0.51990010      -0.48009990      -0.02591328 1.0 
      0.51326673      -0.48673327      -0.01727552 1.0 
      0.50663337      -0.49336663      -0.00863776 1.0 
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      0.00000000       0.00000000       0.00000000 1.0 

