! Pwscf input file created with pymatgen.py 
! Compound: Na2SiO3
&control
         calculation     = 'bands'
         prefix          = 'Na2SiO3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.4431958986793099
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            0.7959733755874295
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.4975991185973371
         nat             =       12
         ntyp            =        3
         ecutwfc         =       67.00000000
         ecutrho         =      324.00000000
         occupations     =  'smearing'  
         smearing        =  'f-d' 
         degauss         =        1.00000000e-03  
         noncolin        =  .true. 
         lspinorb        =  .true. 
/
&electrons
         conv_thr        =        1.00000000e-08 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
Si  28.0855 Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
346
      0.00000000       0.00000000       0.00000000 1.0 
      0.00953908       0.00953908       0.00000000 1.0 
      0.01907816       0.01907816       0.00000000 1.0 
      0.02861723       0.02861723       0.00000000 1.0 
      0.03815631       0.03815631       0.00000000 1.0 
      0.04769539       0.04769539       0.00000000 1.0 
      0.05723447       0.05723447       0.00000000 1.0 
      0.06677354       0.06677354       0.00000000 1.0 
      0.07631262       0.07631262       0.00000000 1.0 
      0.08585170       0.08585170       0.00000000 1.0 
      0.09539078       0.09539078       0.00000000 1.0 
      0.10492985       0.10492985       0.00000000 1.0 
      0.11446893       0.11446893       0.00000000 1.0 
      0.12400801       0.12400801       0.00000000 1.0 
      0.13354709       0.13354709       0.00000000 1.0 
      0.14308616       0.14308616       0.00000000 1.0 
      0.15262524       0.15262524       0.00000000 1.0 
      0.16216432       0.16216432       0.00000000 1.0 
      0.17170340       0.17170340       0.00000000 1.0 
      0.18124248       0.18124248       0.00000000 1.0 
      0.19078155       0.19078155       0.00000000 1.0 
      0.20032063       0.20032063       0.00000000 1.0 
      0.20985971       0.20985971       0.00000000 1.0 
      0.21939879       0.21939879       0.00000000 1.0 
      0.22893786       0.22893786       0.00000000 1.0 
      0.23847694       0.23847694       0.00000000 1.0 
      0.24801602       0.24801602       0.00000000 1.0 
      0.25755510       0.25755510       0.00000000 1.0 
      0.26709417       0.26709417       0.00000000 1.0 
      0.27663325       0.27663325       0.00000000 1.0 
      0.28617233       0.28617233       0.00000000 1.0 
      0.29571141       0.29571141       0.00000000 1.0 
      0.30525048       0.30525048       0.00000000 1.0 
      0.31478956       0.31478956       0.00000000 1.0 
      0.32432864       0.32432864       0.00000000 1.0 
      0.33386772       0.33386772       0.00000000 1.0 
      0.33386772       0.33386772       0.00000000 1.0 
      0.31531951       0.34309729       0.00000000 1.0 
      0.29677130       0.35232686       0.00000000 1.0 
      0.27822310       0.36155643       0.00000000 1.0 
      0.25967489       0.37078600       0.00000000 1.0 
      0.24112669       0.38001557       0.00000000 1.0 
      0.22257848       0.38924515       0.00000000 1.0 
      0.20403027       0.39847472       0.00000000 1.0 
      0.18548207       0.40770429       0.00000000 1.0 
      0.16693386       0.41693386       0.00000000 1.0 
      0.14838565       0.42616343       0.00000000 1.0 
      0.12983745       0.43539300       0.00000000 1.0 
      0.11128924       0.44462257       0.00000000 1.0 
      0.09274103       0.45385214       0.00000000 1.0 
      0.07419283       0.46308172       0.00000000 1.0 
      0.05564462       0.47231129       0.00000000 1.0 
      0.03709641       0.48154086       0.00000000 1.0 
      0.01854821       0.49077043       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.01515152 1.0 
     -0.00000000       0.50000000       0.03030303 1.0 
     -0.00000000       0.50000000       0.04545455 1.0 
     -0.00000000       0.50000000       0.06060606 1.0 
     -0.00000000       0.50000000       0.07575758 1.0 
     -0.00000000       0.50000000       0.09090909 1.0 
     -0.00000000       0.50000000       0.10606061 1.0 
     -0.00000000       0.50000000       0.12121212 1.0 
     -0.00000000       0.50000000       0.13636364 1.0 
     -0.00000000       0.50000000       0.15151515 1.0 
     -0.00000000       0.50000000       0.16666667 1.0 
     -0.00000000       0.50000000       0.18181818 1.0 
     -0.00000000       0.50000000       0.19696970 1.0 
     -0.00000000       0.50000000       0.21212121 1.0 
     -0.00000000       0.50000000       0.22727273 1.0 
     -0.00000000       0.50000000       0.24242424 1.0 
      0.00000000       0.50000000       0.25757576 1.0 
      0.00000000       0.50000000       0.27272727 1.0 
      0.00000000       0.50000000       0.28787879 1.0 
      0.00000000       0.50000000       0.30303030 1.0 
      0.00000000       0.50000000       0.31818182 1.0 
      0.00000000       0.50000000       0.33333333 1.0 
      0.00000000       0.50000000       0.34848485 1.0 
      0.00000000       0.50000000       0.36363636 1.0 
      0.00000000       0.50000000       0.37878788 1.0 
      0.00000000       0.50000000       0.39393939 1.0 
      0.00000000       0.50000000       0.40909091 1.0 
      0.00000000       0.50000000       0.42424242 1.0 
      0.00000000       0.50000000       0.43939394 1.0 
      0.00000000       0.50000000       0.45454545 1.0 
      0.00000000       0.50000000       0.46969697 1.0 
      0.00000000       0.50000000       0.48484848 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.01854821       0.49077043       0.50000000 1.0 
      0.03709641       0.48154086       0.50000000 1.0 
      0.05564462       0.47231129       0.50000000 1.0 
      0.07419283       0.46308172       0.50000000 1.0 
      0.09274103       0.45385214       0.50000000 1.0 
      0.11128924       0.44462257       0.50000000 1.0 
      0.12983745       0.43539300       0.50000000 1.0 
      0.14838565       0.42616343       0.50000000 1.0 
      0.16693386       0.41693386       0.50000000 1.0 
      0.18548207       0.40770429       0.50000000 1.0 
      0.20403027       0.39847472       0.50000000 1.0 
      0.22257848       0.38924515       0.50000000 1.0 
      0.24112669       0.38001557       0.50000000 1.0 
      0.25967489       0.37078600       0.50000000 1.0 
      0.27822310       0.36155643       0.50000000 1.0 
      0.29677130       0.35232686       0.50000000 1.0 
      0.31531951       0.34309729       0.50000000 1.0 
      0.33386772       0.33386772       0.50000000 1.0 
      0.33386772       0.33386772       0.50000000 1.0 
      0.32432864       0.32432864       0.50000000 1.0 
      0.31478956       0.31478956       0.50000000 1.0 
      0.30525048       0.30525048       0.50000000 1.0 
      0.29571141       0.29571141       0.50000000 1.0 
      0.28617233       0.28617233       0.50000000 1.0 
      0.27663325       0.27663325       0.50000000 1.0 
      0.26709417       0.26709417       0.50000000 1.0 
      0.25755510       0.25755510       0.50000000 1.0 
      0.24801602       0.24801602       0.50000000 1.0 
      0.23847694       0.23847694       0.50000000 1.0 
      0.22893786       0.22893786       0.50000000 1.0 
      0.21939879       0.21939879       0.50000000 1.0 
      0.20985971       0.20985971       0.50000000 1.0 
      0.20032063       0.20032063       0.50000000 1.0 
      0.19078155       0.19078155       0.50000000 1.0 
      0.18124248       0.18124248       0.50000000 1.0 
      0.17170340       0.17170340       0.50000000 1.0 
      0.16216432       0.16216432       0.50000000 1.0 
      0.15262524       0.15262524       0.50000000 1.0 
      0.14308616       0.14308616       0.50000000 1.0 
      0.13354709       0.13354709       0.50000000 1.0 
      0.12400801       0.12400801       0.50000000 1.0 
      0.11446893       0.11446893       0.50000000 1.0 
      0.10492985       0.10492985       0.50000000 1.0 
      0.09539078       0.09539078       0.50000000 1.0 
      0.08585170       0.08585170       0.50000000 1.0 
      0.07631262       0.07631262       0.50000000 1.0 
      0.06677354       0.06677354       0.50000000 1.0 
      0.05723447       0.05723447       0.50000000 1.0 
      0.04769539       0.04769539       0.50000000 1.0 
      0.03815631       0.03815631       0.50000000 1.0 
      0.02861723       0.02861723       0.50000000 1.0 
      0.01907816       0.01907816       0.50000000 1.0 
      0.00953908       0.00953908       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.48484848 1.0 
     -0.00000000       0.00000000       0.46969697 1.0 
      0.00000000      -0.00000000       0.45454545 1.0 
     -0.00000000       0.00000000       0.43939394 1.0 
      0.00000000      -0.00000000       0.42424242 1.0 
      0.00000000       0.00000000       0.40909091 1.0 
     -0.00000000      -0.00000000       0.39393939 1.0 
      0.00000000      -0.00000000       0.37878788 1.0 
      0.00000000      -0.00000000       0.36363636 1.0 
      0.00000000      -0.00000000       0.34848485 1.0 
      0.00000000      -0.00000000       0.33333333 1.0 
      0.00000000      -0.00000000       0.31818182 1.0 
      0.00000000      -0.00000000       0.30303030 1.0 
      0.00000000      -0.00000000       0.28787879 1.0 
      0.00000000      -0.00000000       0.27272727 1.0 
      0.00000000      -0.00000000       0.25757576 1.0 
      0.00000000      -0.00000000       0.24242424 1.0 
      0.00000000      -0.00000000       0.22727273 1.0 
      0.00000000      -0.00000000       0.21212121 1.0 
      0.00000000       0.00000000       0.19696970 1.0 
      0.00000000      -0.00000000       0.18181818 1.0 
      0.00000000      -0.00000000       0.16666667 1.0 
      0.00000000      -0.00000000       0.15151515 1.0 
     -0.00000000       0.00000000       0.13636364 1.0 
      0.00000000      -0.00000000       0.12121212 1.0 
     -0.00000000      -0.00000000       0.10606061 1.0 
     -0.00000000       0.00000000       0.09090909 1.0 
      0.00000000      -0.00000000       0.07575758 1.0 
      0.00000000      -0.00000000       0.06060606 1.0 
      0.00000000      -0.00000000       0.04545455 1.0 
      0.00000000       0.00000000       0.03030303 1.0 
      0.00000000      -0.00000000       0.01515152 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.01666667       0.01666667       0.00000000 1.0 
     -0.03333333       0.03333333       0.00000000 1.0 
     -0.05000000       0.05000000       0.00000000 1.0 
     -0.06666667       0.06666667       0.00000000 1.0 
     -0.08333333       0.08333333       0.00000000 1.0 
     -0.10000000       0.10000000       0.00000000 1.0 
     -0.11666667       0.11666667       0.00000000 1.0 
     -0.13333333       0.13333333       0.00000000 1.0 
     -0.15000000       0.15000000       0.00000000 1.0 
     -0.16666667       0.16666667       0.00000000 1.0 
     -0.18333333       0.18333333       0.00000000 1.0 
     -0.20000000       0.20000000       0.00000000 1.0 
     -0.21666667       0.21666667       0.00000000 1.0 
     -0.23333333       0.23333333       0.00000000 1.0 
     -0.25000000       0.25000000       0.00000000 1.0 
     -0.26666667       0.26666667       0.00000000 1.0 
     -0.28333333       0.28333333       0.00000000 1.0 
     -0.30000000       0.30000000       0.00000000 1.0 
     -0.31666667       0.31666667       0.00000000 1.0 
     -0.33333333       0.33333333       0.00000000 1.0 
     -0.35000000       0.35000000       0.00000000 1.0 
     -0.36666667       0.36666667       0.00000000 1.0 
     -0.38333333       0.38333333       0.00000000 1.0 
     -0.40000000       0.40000000       0.00000000 1.0 
     -0.41666667       0.41666667       0.00000000 1.0 
     -0.43333333       0.43333333       0.00000000 1.0 
     -0.45000000       0.45000000       0.00000000 1.0 
     -0.46666667       0.46666667       0.00000000 1.0 
     -0.48333333       0.48333333       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.49077043       0.50922957       0.00000000 1.0 
     -0.48154086       0.51845914       0.00000000 1.0 
     -0.47231129       0.52768871       0.00000000 1.0 
     -0.46308172       0.53691828       0.00000000 1.0 
     -0.45385214       0.54614786       0.00000000 1.0 
     -0.44462257       0.55537743       0.00000000 1.0 
     -0.43539300       0.56460700       0.00000000 1.0 
     -0.42616343       0.57383657       0.00000000 1.0 
     -0.41693386       0.58306614       0.00000000 1.0 
     -0.40770429       0.59229571       0.00000000 1.0 
     -0.39847472       0.60152528       0.00000000 1.0 
     -0.38924515       0.61075485       0.00000000 1.0 
     -0.38001557       0.61998443       0.00000000 1.0 
     -0.37078600       0.62921400       0.00000000 1.0 
     -0.36155643       0.63844357       0.00000000 1.0 
     -0.35232686       0.64767314       0.00000000 1.0 
     -0.34309729       0.65690271       0.00000000 1.0 
     -0.33386772       0.66613228       0.00000000 1.0 
     -0.33386772       0.66613228       0.00000000 1.0 
     -0.33386772       0.66613228       0.01515152 1.0 
     -0.33386772       0.66613228       0.03030303 1.0 
     -0.33386772       0.66613228       0.04545455 1.0 
     -0.33386772       0.66613228       0.06060606 1.0 
     -0.33386772       0.66613228       0.07575758 1.0 
     -0.33386772       0.66613228       0.09090909 1.0 
     -0.33386772       0.66613228       0.10606061 1.0 
     -0.33386772       0.66613228       0.12121212 1.0 
     -0.33386772       0.66613228       0.13636364 1.0 
     -0.33386772       0.66613228       0.15151515 1.0 
     -0.33386772       0.66613228       0.16666667 1.0 
     -0.33386772       0.66613228       0.18181818 1.0 
     -0.33386772       0.66613228       0.19696970 1.0 
     -0.33386772       0.66613228       0.21212121 1.0 
     -0.33386772       0.66613228       0.22727273 1.0 
     -0.33386772       0.66613228       0.24242424 1.0 
     -0.33386772       0.66613228       0.25757576 1.0 
     -0.33386772       0.66613228       0.27272727 1.0 
     -0.33386772       0.66613228       0.28787879 1.0 
     -0.33386772       0.66613228       0.30303030 1.0 
     -0.33386772       0.66613228       0.31818182 1.0 
     -0.33386772       0.66613228       0.33333333 1.0 
     -0.33386772       0.66613228       0.34848485 1.0 
     -0.33386772       0.66613228       0.36363636 1.0 
     -0.33386772       0.66613228       0.37878788 1.0 
     -0.33386772       0.66613228       0.39393939 1.0 
     -0.33386772       0.66613228       0.40909091 1.0 
     -0.33386772       0.66613228       0.42424242 1.0 
     -0.33386772       0.66613228       0.43939394 1.0 
     -0.33386772       0.66613228       0.45454545 1.0 
     -0.33386772       0.66613228       0.46969697 1.0 
     -0.33386772       0.66613228       0.48484848 1.0 
     -0.33386772       0.66613228       0.50000000 1.0 
     -0.33386772       0.66613228       0.50000000 1.0 
     -0.34309729       0.65690271       0.50000000 1.0 
     -0.35232686       0.64767314       0.50000000 1.0 
     -0.36155643       0.63844357       0.50000000 1.0 
     -0.37078600       0.62921400       0.50000000 1.0 
     -0.38001557       0.61998443       0.50000000 1.0 
     -0.38924515       0.61075485       0.50000000 1.0 
     -0.39847472       0.60152528       0.50000000 1.0 
     -0.40770429       0.59229571       0.50000000 1.0 
     -0.41693386       0.58306614       0.50000000 1.0 
     -0.42616343       0.57383657       0.50000000 1.0 
     -0.43539300       0.56460700       0.50000000 1.0 
     -0.44462257       0.55537743       0.50000000 1.0 
     -0.45385214       0.54614786       0.50000000 1.0 
     -0.46308172       0.53691828       0.50000000 1.0 
     -0.47231129       0.52768871       0.50000000 1.0 
     -0.48154086       0.51845914       0.50000000 1.0 
     -0.49077043       0.50922957       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.48484848 1.0 
     -0.50000000       0.50000000       0.46969697 1.0 
     -0.50000000       0.50000000       0.45454545 1.0 
     -0.50000000       0.50000000       0.43939394 1.0 
     -0.50000000       0.50000000       0.42424242 1.0 
     -0.50000000       0.50000000       0.40909091 1.0 
     -0.50000000       0.50000000       0.39393939 1.0 
     -0.50000000       0.50000000       0.37878788 1.0 
     -0.50000000       0.50000000       0.36363636 1.0 
     -0.50000000       0.50000000       0.34848485 1.0 
     -0.50000000       0.50000000       0.33333333 1.0 
     -0.50000000       0.50000000       0.31818182 1.0 
     -0.50000000       0.50000000       0.30303030 1.0 
     -0.50000000       0.50000000       0.28787879 1.0 
     -0.50000000       0.50000000       0.27272727 1.0 
     -0.50000000       0.50000000       0.25757576 1.0 
     -0.50000000       0.50000000       0.24242424 1.0 
     -0.50000000       0.50000000       0.22727273 1.0 
     -0.50000000       0.50000000       0.21212121 1.0 
     -0.50000000       0.50000000       0.19696970 1.0 
     -0.50000000       0.50000000       0.18181818 1.0 
     -0.50000000       0.50000000       0.16666667 1.0 
     -0.50000000       0.50000000       0.15151515 1.0 
     -0.50000000       0.50000000       0.13636364 1.0 
     -0.50000000       0.50000000       0.12121212 1.0 
     -0.50000000       0.50000000       0.10606061 1.0 
     -0.50000000       0.50000000       0.09090909 1.0 
     -0.50000000       0.50000000       0.07575758 1.0 
     -0.50000000       0.50000000       0.06060606 1.0 
     -0.50000000       0.50000000       0.04545455 1.0 
     -0.50000000       0.50000000       0.03030303 1.0 
     -0.50000000       0.50000000       0.01515152 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01666667       0.01666667       0.50000000 1.0 
     -0.03333333       0.03333333       0.50000000 1.0 
     -0.05000000       0.05000000       0.50000000 1.0 
     -0.06666667       0.06666667       0.50000000 1.0 
     -0.08333333       0.08333333       0.50000000 1.0 
     -0.10000000       0.10000000       0.50000000 1.0 
     -0.11666667       0.11666667       0.50000000 1.0 
     -0.13333333       0.13333333       0.50000000 1.0 
     -0.15000000       0.15000000       0.50000000 1.0 
     -0.16666667       0.16666667       0.50000000 1.0 
     -0.18333333       0.18333333       0.50000000 1.0 
     -0.20000000       0.20000000       0.50000000 1.0 
     -0.21666667       0.21666667       0.50000000 1.0 
     -0.23333333       0.23333333       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.26666667       0.26666667       0.50000000 1.0 
     -0.28333333       0.28333333       0.50000000 1.0 
     -0.30000000       0.30000000       0.50000000 1.0 
     -0.31666667       0.31666667       0.50000000 1.0 
     -0.33333333       0.33333333       0.50000000 1.0 
     -0.35000000       0.35000000       0.50000000 1.0 
     -0.36666667       0.36666667       0.50000000 1.0 
     -0.38333333       0.38333333       0.50000000 1.0 
     -0.40000000       0.40000000       0.50000000 1.0 
     -0.41666667       0.41666667       0.50000000 1.0 
     -0.43333333       0.43333333       0.50000000 1.0 
     -0.45000000       0.45000000       0.50000000 1.0 
     -0.46666667       0.46666667       0.50000000 1.0 
     -0.48333333       0.48333333       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

