&CONTROl
   calculation='vc-relax'
   nstep = 200,
   prefix = 'x',
   pseudo_dir = '',
   outdir = './scratch'
   disk_io = 'low'
  /

&SYSTEM
  ibrav = 0,
  nat = 40,
  ntyp = 4,
  nbnd = 220,
  ecutwfc = 45.0,
  ecutrho = 350.0,
  occupations = 'smearing',
  smearing = 'gaussian',
  nspin = 2,
  starting_magnetization = 0.01,
  degauss = 0.005,
/

&ELECTRONS
  electron_maxstep = 300,
  conv_thr=1.D-7
  mixing_beta = 0.3,
/

&IONS
/

&CELL
   cell_dynamics='bfgs'
   press = 0.0
/

ATOMIC_SPECIES
Ba  137.327  Ba.pbe-spn-kjpaw_psl.0.2.3.upf
S   32.065   S.pbe-n-kjpaw_psl.0.1.upf
Zr  91.224   Zr.pbe-spn-kjpaw_psl.0.2.3.upf
Hf  178.49  Hf.pbe-spn-kjpaw_psl.0.2.upf.1 
CELL_PARAMETERS angstrom
 7.038759425   0.000044752  -0.000001440
 0.000283080  14.299714060  -0.000149519
 0.000005644  -0.000160368  10.038888707
ATOMIC_POSITIONS angstrom
Ba       3.656120831   4.086460178   7.554035270
Ba       0.137536470   6.963660069   2.534946099
Ba       3.506342873   3.386014429   2.535106532
Ba       7.023387642   0.511947769   7.554695855
Zr       0.057752343   3.738534270   5.043549090
Zr       0.058611727   3.741300455   0.023379385
S        5.056129663   2.219704434   5.360432204
S        1.556393211   1.672460074   4.719365373
S        2.092884804   5.252539434   0.363045368
S        5.609112142   5.810660781   9.726622398
S        2.092325691   5.251821837   4.705913166
S        5.609406983   5.810092614   5.379628399
S        5.056402979   2.220447091   9.745840467
S        1.555835208   1.672939642   0.349818758
S        0.494764435   3.692054557   7.553064117
S        3.998541613   0.198557957   2.533952086
S        6.653013662   3.780441916   2.533959383
S        3.117485265   7.270059159   7.552890663
Ba       3.639411134  11.266938246   7.554185675
Ba       0.119001301  14.142045314   2.534964242
Ba       3.490841770  10.566068772   2.535067074
Ba       7.009179793   7.686555555   7.554264827
Zr       3.572371945   7.325801586   5.042379651
Zr       0.047343469  10.914043691   5.043104534
Zr       3.572040026   7.328657259   0.023921669
Zr       0.048222149  10.916699095   0.023567144
S        5.051431679   9.399275265   5.380112275
S        1.533333305   8.841379701   4.706702328
S        2.090550799  12.433826019   0.340422927
S        5.585520695  12.977840883   9.736999570
S        2.089868753  12.433332597   4.728148038
S        5.585915134  12.977374487   5.369567537
S        5.051957997   9.399914014   9.725921628
S        1.532962933   8.841996098   0.362112894
S        0.490511514  10.868366440   7.552917730
S        4.025351372   7.380992456   2.533797042
S        6.650609934  10.961634498   2.533876112
S        3.143563779  14.452942349   7.552963233
Hf       3.570507161   0.180629393   0.023672700
Hf       3.570793961   0.177893455   5.043134125 
K_POINTS automatic
7 4 5 0 0 0