! Pwscf input file created with ciftopw.py 
! Compound: Na3YBr6
&control
         calculation     = 'bands'
         prefix          = 'Na3YBr6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.5490003893109989
         celldm(2)       =            0.9368749188206262
         celldm(3)       =            1.6730898283344662
         celldm(4)       =            0.5512292442320992
         celldm(5)       =            0.0000000000000001
         celldm(6)       =            0.0000000000000001
         nat             =       20
         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-05 
         mixing_beta     =        3.00000000e-01    
   /
ATOMIC_SPECIES
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Na  22.9898 Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF 
 Y  88.9059 Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
180
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.03333333 1.0 
      0.00000000       0.00000000       0.06666667 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.13333333 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.23333333 1.0 
      0.00000000       0.00000000       0.26666667 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.36666667 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.43333333 1.0 
      0.00000000       0.00000000       0.46666667 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.02257003       0.52221785 1.0 
      0.00000000       0.04514006       0.54443570 1.0 
      0.00000000       0.06771009       0.56665355 1.0 
      0.00000000       0.09028012       0.58887140 1.0 
      0.00000000       0.11285014       0.61108924 1.0 
      0.00000000       0.13542017       0.63330709 1.0 
      0.00000000       0.15799020       0.65552494 1.0 
      0.00000000       0.18056023       0.67774279 1.0 
      0.00000000       0.20313026       0.69996064 1.0 
      0.00000000       0.22570029       0.72217849 1.0 
      0.00000000       0.24827032       0.74439634 1.0 
      0.00000000       0.27084035       0.76661419 1.0 
      0.00000000       0.29341037       0.78883204 1.0 
      0.00000000       0.31598040       0.81104989 1.0 
      0.00000000       0.33855043       0.83326773 1.0 
      0.00000000       0.36112046       0.85548558 1.0 
      0.00000000       0.38369049       0.87770343 1.0 
      0.00000000       0.40626052       0.89992128 1.0 
      0.00000000       0.42883055       0.92213913 1.0 
      0.00000000       0.45140058       0.94435698 1.0 
      0.00000000       0.47397061       0.96657483 1.0 
      0.00000000       0.49654063       0.98879268 1.0 
      0.00000000       0.49654063       0.98879268 1.0 
      0.00000000       0.49677126       0.95620650 1.0 
      0.00000000       0.49700188       0.92362032 1.0 
      0.00000000       0.49723251       0.89103414 1.0 
      0.00000000       0.49746313       0.85844796 1.0 
      0.00000000       0.49769376       0.82586178 1.0 
      0.00000000       0.49792438       0.79327561 1.0 
      0.00000000       0.49815500       0.76068943 1.0 
      0.00000000       0.49838563       0.72810325 1.0 
      0.00000000       0.49861625       0.69551707 1.0 
      0.00000000       0.49884688       0.66293089 1.0 
      0.00000000       0.49907750       0.63034471 1.0 
      0.00000000       0.49930813       0.59775854 1.0 
      0.00000000       0.49953875       0.56517236 1.0 
      0.00000000       0.49976938       0.53258618 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.00000000       0.50000000       0.50000000 1.0 
      0.02380952       0.50000000       0.50000000 1.0 
      0.04761905       0.50000000       0.50000000 1.0 
      0.07142857       0.50000000       0.50000000 1.0 
      0.09523810       0.50000000       0.50000000 1.0 
      0.11904762       0.50000000       0.50000000 1.0 
      0.14285714       0.50000000       0.50000000 1.0 
      0.16666667       0.50000000       0.50000000 1.0 
      0.19047619       0.50000000       0.50000000 1.0 
      0.21428571       0.50000000       0.50000000 1.0 
      0.23809524       0.50000000       0.50000000 1.0 
      0.26190476       0.50000000       0.50000000 1.0 
      0.28571429       0.50000000       0.50000000 1.0 
      0.30952381       0.50000000       0.50000000 1.0 
      0.33333333       0.50000000       0.50000000 1.0 
      0.35714286       0.50000000       0.50000000 1.0 
      0.38095238       0.50000000       0.50000000 1.0 
      0.40476190       0.50000000       0.50000000 1.0 
      0.42857143       0.50000000       0.50000000 1.0 
      0.45238095       0.50000000       0.50000000 1.0 
      0.47619048       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50023062       0.46741382 1.0 
      0.50000000       0.50046125       0.43482764 1.0 
      0.50000000       0.50069187       0.40224146 1.0 
      0.50000000       0.50092250       0.36965529 1.0 
      0.50000000       0.50115312       0.33706911 1.0 
      0.50000000       0.50138375       0.30448293 1.0 
      0.50000000       0.50161437       0.27189675 1.0 
      0.50000000       0.50184500       0.23931057 1.0 
      0.50000000       0.50207562       0.20672439 1.0 
      0.50000000       0.50230624       0.17413822 1.0 
      0.50000000       0.50253687       0.14155204 1.0 
      0.50000000       0.50276749       0.10896586 1.0 
      0.50000000       0.50299812       0.07637968 1.0 
      0.50000000       0.50322874       0.04379350 1.0 
      0.50000000       0.50345937       0.01120732 1.0 
      0.50000000       0.50345937       0.01120732 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.47619048       0.50000000      -0.00000000 1.0 
      0.45238095       0.50000000      -0.00000000 1.0 
      0.42857143       0.50000000      -0.00000000 1.0 
      0.40476190       0.50000000      -0.00000000 1.0 
      0.38095238       0.50000000      -0.00000000 1.0 
      0.35714286       0.50000000      -0.00000000 1.0 
      0.33333333       0.50000000      -0.00000000 1.0 
      0.30952381       0.50000000      -0.00000000 1.0 
      0.28571429       0.50000000      -0.00000000 1.0 
      0.26190476       0.50000000      -0.00000000 1.0 
      0.23809524       0.50000000      -0.00000000 1.0 
      0.21428571       0.50000000      -0.00000000 1.0 
      0.19047619       0.50000000      -0.00000000 1.0 
      0.16666667       0.50000000      -0.00000000 1.0 
      0.14285714       0.50000000      -0.00000000 1.0 
      0.11904762       0.50000000      -0.00000000 1.0 
      0.09523810       0.50000000      -0.00000000 1.0 
      0.07142857       0.50000000      -0.00000000 1.0 
      0.04761905       0.50000000      -0.00000000 1.0 
      0.02380952       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50345937       0.01120732 1.0 
      0.50000000       0.49654063       0.98879268 1.0 
      0.50000000       0.47397061       0.96657483 1.0 
      0.50000000       0.45140058       0.94435698 1.0 
      0.50000000       0.42883055       0.92213913 1.0 
      0.50000000       0.40626052       0.89992128 1.0 
      0.50000000       0.38369049       0.87770343 1.0 
      0.50000000       0.36112046       0.85548558 1.0 
      0.50000000       0.33855043       0.83326773 1.0 
      0.50000000       0.31598040       0.81104989 1.0 
      0.50000000       0.29341037       0.78883204 1.0 
      0.50000000       0.27084035       0.76661419 1.0 
      0.50000000       0.24827032       0.74439634 1.0 
      0.50000000       0.22570029       0.72217849 1.0 
      0.50000000       0.20313026       0.69996064 1.0 
      0.50000000       0.18056023       0.67774279 1.0 
      0.50000000       0.15799020       0.65552494 1.0 
      0.50000000       0.13542017       0.63330709 1.0 
      0.50000000       0.11285014       0.61108924 1.0 
      0.50000000       0.09028012       0.58887140 1.0 
      0.50000000       0.06771009       0.56665355 1.0 
      0.50000000       0.04514006       0.54443570 1.0 
      0.50000000       0.02257003       0.52221785 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.46666667 1.0 
      0.50000000       0.00000000       0.43333333 1.0 
      0.50000000       0.00000000       0.40000000 1.0 
      0.50000000       0.00000000       0.36666667 1.0 
      0.50000000       0.00000000       0.33333333 1.0 
      0.50000000       0.00000000       0.30000000 1.0 
      0.50000000       0.00000000       0.26666667 1.0 
      0.50000000       0.00000000       0.23333333 1.0 
      0.50000000       0.00000000       0.20000000 1.0 
      0.50000000       0.00000000       0.16666667 1.0 
      0.50000000       0.00000000       0.13333333 1.0 
      0.50000000       0.00000000       0.10000000 1.0 
      0.50000000       0.00000000       0.06666667 1.0 
      0.50000000       0.00000000       0.03333333 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.02380952       0.00000000       0.50000000 1.0 
      0.04761905       0.00000000       0.50000000 1.0 
      0.07142857       0.00000000       0.50000000 1.0 
      0.09523810       0.00000000       0.50000000 1.0 
      0.11904762       0.00000000       0.50000000 1.0 
      0.14285714       0.00000000       0.50000000 1.0 
      0.16666667       0.00000000       0.50000000 1.0 
      0.19047619       0.00000000       0.50000000 1.0 
      0.21428571       0.00000000       0.50000000 1.0 
      0.23809524       0.00000000       0.50000000 1.0 
      0.26190476       0.00000000       0.50000000 1.0 
      0.28571429       0.00000000       0.50000000 1.0 
      0.30952381       0.00000000       0.50000000 1.0 
      0.33333333       0.00000000       0.50000000 1.0 
      0.35714286       0.00000000       0.50000000 1.0 
      0.38095238       0.00000000       0.50000000 1.0 
      0.40476190       0.00000000       0.50000000 1.0 
      0.42857143       0.00000000       0.50000000 1.0 
      0.45238095       0.00000000       0.50000000 1.0 
      0.47619048       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

