! Pwscf input file created with ciftopw.py 
! Compound: Mn(SeO3)2
&control
         calculation     = 'bands'
         prefix          = 'MnxSeO3x2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.5855750867400005
         celldm(2)       =            0.7599099099099099
         celldm(3)       =            1.3171712719090669
         celldm(4)       =            0.5623476889259996
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       18
         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 
Se  78.9600 Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
235
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.02272727 1.0 
      0.00000000       0.00000000       0.04545455 1.0 
      0.00000000       0.00000000       0.06818182 1.0 
      0.00000000       0.00000000       0.09090909 1.0 
      0.00000000       0.00000000       0.11363636 1.0 
      0.00000000       0.00000000       0.13636364 1.0 
      0.00000000       0.00000000       0.15909091 1.0 
      0.00000000       0.00000000       0.18181818 1.0 
      0.00000000       0.00000000       0.20454545 1.0 
      0.00000000       0.00000000       0.22727273 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.27272727 1.0 
      0.00000000       0.00000000       0.29545455 1.0 
      0.00000000       0.00000000       0.31818182 1.0 
      0.00000000       0.00000000       0.34090909 1.0 
      0.00000000       0.00000000       0.36363636 1.0 
      0.00000000       0.00000000       0.38636364 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
      0.00000000       0.00000000       0.43181818 1.0 
      0.00000000       0.00000000       0.45454545 1.0 
      0.00000000       0.00000000       0.47727273 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.01593566       0.51553299 1.0 
      0.00000000       0.03187131       0.53106598 1.0 
      0.00000000       0.04780697       0.54659896 1.0 
      0.00000000       0.06374262       0.56213195 1.0 
      0.00000000       0.07967828       0.57766494 1.0 
      0.00000000       0.09561394       0.59319793 1.0 
      0.00000000       0.11154959       0.60873091 1.0 
      0.00000000       0.12748525       0.62426390 1.0 
      0.00000000       0.14342090       0.63979689 1.0 
      0.00000000       0.15935656       0.65532988 1.0 
      0.00000000       0.17529221       0.67086286 1.0 
      0.00000000       0.19122787       0.68639585 1.0 
      0.00000000       0.20716353       0.70192884 1.0 
      0.00000000       0.22309918       0.71746183 1.0 
      0.00000000       0.23903484       0.73299482 1.0 
      0.00000000       0.25497049       0.74852780 1.0 
      0.00000000       0.27090615       0.76406079 1.0 
      0.00000000       0.28684181       0.77959378 1.0 
      0.00000000       0.30277746       0.79512677 1.0 
      0.00000000       0.31871312       0.81065975 1.0 
      0.00000000       0.33464877       0.82619274 1.0 
      0.00000000       0.35058443       0.84172573 1.0 
      0.00000000       0.36652008       0.85725872 1.0 
      0.00000000       0.38245574       0.87279170 1.0 
      0.00000000       0.39839140       0.88832469 1.0 
      0.00000000       0.41432705       0.90385768 1.0 
      0.00000000       0.43026271       0.91939067 1.0 
      0.00000000       0.44619836       0.93492366 1.0 
      0.00000000       0.46213402       0.95045664 1.0 
      0.00000000       0.47806968       0.96598963 1.0 
      0.00000000       0.49400533       0.98152262 1.0 
      0.00000000       0.49400533       0.98152262 1.0 
      0.00000000       0.49427782       0.95963523 1.0 
      0.00000000       0.49455030       0.93774784 1.0 
      0.00000000       0.49482279       0.91586044 1.0 
      0.00000000       0.49509527       0.89397305 1.0 
      0.00000000       0.49536776       0.87208566 1.0 
      0.00000000       0.49564024       0.85019827 1.0 
      0.00000000       0.49591273       0.82831088 1.0 
      0.00000000       0.49618521       0.80642348 1.0 
      0.00000000       0.49645770       0.78453609 1.0 
      0.00000000       0.49673018       0.76264870 1.0 
      0.00000000       0.49700267       0.74076131 1.0 
      0.00000000       0.49727515       0.71887392 1.0 
      0.00000000       0.49754764       0.69698653 1.0 
      0.00000000       0.49782012       0.67509913 1.0 
      0.00000000       0.49809261       0.65321174 1.0 
      0.00000000       0.49836509       0.63132435 1.0 
      0.00000000       0.49863758       0.60943696 1.0 
      0.00000000       0.49891006       0.58754957 1.0 
      0.00000000       0.49918255       0.56566218 1.0 
      0.00000000       0.49945503       0.54377478 1.0 
      0.00000000       0.49972752       0.52188739 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02083333       0.50000000       0.50000000 1.0 
      0.04166667       0.50000000       0.50000000 1.0 
      0.06250000       0.50000000       0.50000000 1.0 
      0.08333333       0.50000000       0.50000000 1.0 
      0.10416667       0.50000000       0.50000000 1.0 
      0.12500000       0.50000000       0.50000000 1.0 
      0.14583333       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.18750000       0.50000000       0.50000000 1.0 
      0.20833333       0.50000000       0.50000000 1.0 
      0.22916667       0.50000000       0.50000000 1.0 
      0.25000000       0.50000000       0.50000000 1.0 
      0.27083333       0.50000000       0.50000000 1.0 
      0.29166667       0.50000000       0.50000000 1.0 
      0.31250000       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.35416667       0.50000000       0.50000000 1.0 
      0.37500000       0.50000000       0.50000000 1.0 
      0.39583333       0.50000000       0.50000000 1.0 
      0.41666667       0.50000000       0.50000000 1.0 
      0.43750000       0.50000000       0.50000000 1.0 
      0.45833333       0.50000000       0.50000000 1.0 
      0.47916667       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50027248       0.47811261 1.0 
      0.50000000       0.50054497       0.45622522 1.0 
      0.50000000       0.50081745       0.43433782 1.0 
      0.50000000       0.50108994       0.41245043 1.0 
      0.50000000       0.50136242       0.39056304 1.0 
      0.50000000       0.50163491       0.36867565 1.0 
      0.50000000       0.50190739       0.34678826 1.0 
      0.50000000       0.50217988       0.32490087 1.0 
      0.50000000       0.50245236       0.30301347 1.0 
      0.50000000       0.50272485       0.28112608 1.0 
      0.50000000       0.50299733       0.25923869 1.0 
      0.50000000       0.50326982       0.23735130 1.0 
      0.50000000       0.50354230       0.21546391 1.0 
      0.50000000       0.50381479       0.19357652 1.0 
      0.50000000       0.50408727       0.17168912 1.0 
      0.50000000       0.50435976       0.14980173 1.0 
      0.50000000       0.50463224       0.12791434 1.0 
      0.50000000       0.50490473       0.10602695 1.0 
      0.50000000       0.50517721       0.08413956 1.0 
      0.50000000       0.50544970       0.06225216 1.0 
      0.50000000       0.50572218       0.04036477 1.0 
      0.50000000       0.50599467       0.01847738 1.0 
      0.50000000       0.50599467       0.01847738 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47916667       0.50000000      -0.00000000 1.0 
      0.45833333       0.50000000      -0.00000000 1.0 
      0.43750000       0.50000000      -0.00000000 1.0 
      0.41666667       0.50000000      -0.00000000 1.0 
      0.39583333       0.50000000      -0.00000000 1.0 
      0.37500000       0.50000000      -0.00000000 1.0 
      0.35416667       0.50000000      -0.00000000 1.0 
      0.33333333       0.50000000      -0.00000000 1.0 
      0.31250000       0.50000000      -0.00000000 1.0 
      0.29166667       0.50000000      -0.00000000 1.0 
      0.27083333       0.50000000      -0.00000000 1.0 
      0.25000000       0.50000000      -0.00000000 1.0 
      0.22916667       0.50000000      -0.00000000 1.0 
      0.20833333       0.50000000      -0.00000000 1.0 
      0.18750000       0.50000000      -0.00000000 1.0 
      0.16666667       0.50000000      -0.00000000 1.0 
      0.14583333       0.50000000      -0.00000000 1.0 
      0.12500000       0.50000000      -0.00000000 1.0 
      0.10416667       0.50000000      -0.00000000 1.0 
      0.08333333       0.50000000      -0.00000000 1.0 
      0.06250000       0.50000000      -0.00000000 1.0 
      0.04166667       0.50000000      -0.00000000 1.0 
      0.02083333       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50599467       0.01847738 1.0 
      0.50000000       0.49400533       0.98152262 1.0 
      0.50000000       0.47806968       0.96598963 1.0 
      0.50000000       0.46213402       0.95045664 1.0 
      0.50000000       0.44619836       0.93492366 1.0 
      0.50000000       0.43026271       0.91939067 1.0 
      0.50000000       0.41432705       0.90385768 1.0 
      0.50000000       0.39839140       0.88832469 1.0 
      0.50000000       0.38245574       0.87279170 1.0 
      0.50000000       0.36652008       0.85725872 1.0 
      0.50000000       0.35058443       0.84172573 1.0 
      0.50000000       0.33464877       0.82619274 1.0 
      0.50000000       0.31871312       0.81065975 1.0 
      0.50000000       0.30277746       0.79512677 1.0 
      0.50000000       0.28684181       0.77959378 1.0 
      0.50000000       0.27090615       0.76406079 1.0 
      0.50000000       0.25497049       0.74852780 1.0 
      0.50000000       0.23903484       0.73299482 1.0 
      0.50000000       0.22309918       0.71746183 1.0 
      0.50000000       0.20716353       0.70192884 1.0 
      0.50000000       0.19122787       0.68639585 1.0 
      0.50000000       0.17529221       0.67086286 1.0 
      0.50000000       0.15935656       0.65532988 1.0 
      0.50000000       0.14342090       0.63979689 1.0 
      0.50000000       0.12748525       0.62426390 1.0 
      0.50000000       0.11154959       0.60873091 1.0 
      0.50000000       0.09561394       0.59319793 1.0 
      0.50000000       0.07967828       0.57766494 1.0 
      0.50000000       0.06374262       0.56213195 1.0 
      0.50000000       0.04780697       0.54659896 1.0 
      0.50000000       0.03187131       0.53106598 1.0 
      0.50000000       0.01593566       0.51553299 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.47727273 1.0 
      0.50000000       0.00000000       0.45454545 1.0 
      0.50000000       0.00000000       0.43181818 1.0 
      0.50000000       0.00000000       0.40909091 1.0 
      0.50000000       0.00000000       0.38636364 1.0 
      0.50000000       0.00000000       0.36363636 1.0 
      0.50000000       0.00000000       0.34090909 1.0 
      0.50000000       0.00000000       0.31818182 1.0 
      0.50000000       0.00000000       0.29545455 1.0 
      0.50000000       0.00000000       0.27272727 1.0 
      0.50000000       0.00000000       0.25000000 1.0 
      0.50000000       0.00000000       0.22727273 1.0 
      0.50000000       0.00000000       0.20454545 1.0 
      0.50000000       0.00000000       0.18181818 1.0 
      0.50000000       0.00000000       0.15909091 1.0 
      0.50000000       0.00000000       0.13636364 1.0 
      0.50000000       0.00000000       0.11363636 1.0 
      0.50000000       0.00000000       0.09090909 1.0 
      0.50000000       0.00000000       0.06818182 1.0 
      0.50000000       0.00000000       0.04545455 1.0 
      0.50000000       0.00000000       0.02272727 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02083333       0.00000000       0.50000000 1.0 
      0.04166667       0.00000000       0.50000000 1.0 
      0.06250000       0.00000000       0.50000000 1.0 
      0.08333333       0.00000000       0.50000000 1.0 
      0.10416667       0.00000000       0.50000000 1.0 
      0.12500000       0.00000000       0.50000000 1.0 
      0.14583333       0.00000000       0.50000000 1.0 
      0.16666667       0.00000000       0.50000000 1.0 
      0.18750000       0.00000000       0.50000000 1.0 
      0.20833333       0.00000000       0.50000000 1.0 
      0.22916667       0.00000000       0.50000000 1.0 
      0.25000000       0.00000000       0.50000000 1.0 
      0.27083333       0.00000000       0.50000000 1.0 
      0.29166667       0.00000000       0.50000000 1.0 
      0.31250000       0.00000000       0.50000000 1.0 
      0.33333333       0.00000000       0.50000000 1.0 
      0.35416667       0.00000000       0.50000000 1.0 
      0.37500000       0.00000000       0.50000000 1.0 
      0.39583333       0.00000000       0.50000000 1.0 
      0.41666667       0.00000000       0.50000000 1.0 
      0.43750000       0.00000000       0.50000000 1.0 
      0.45833333       0.00000000       0.50000000 1.0 
      0.47916667       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

