! Pwscf input file created with ciftopw.py 
! Compound: BaYAgTe3
&control
         calculation     = 'bands'
         prefix          = 'BaYAgTe3'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           14.6605153928513889
         celldm(2)       =            1.0000000000000002
         celldm(3)       =            1.4611992305365709
         celldm(4)       =            0.0000000000000001
         celldm(5)       =            0.0000000000000001
         celldm(6)       =           -0.8334665076123632
         nat             =       12
         ntyp            =        4
         ecutwfc         =       46.00000000
         ecutrho         =      258.00000000
         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
Ba 137.3270 Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Ag 107.8682 Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-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
278
      0.00000000       0.00000000       0.00000000 1.0 
      0.00699250       0.00699250       0.00000000 1.0 
      0.01398500       0.01398500       0.00000000 1.0 
      0.02097750       0.02097750       0.00000000 1.0 
      0.02797000       0.02797000       0.00000000 1.0 
      0.03496250       0.03496250       0.00000000 1.0 
      0.04195499       0.04195499       0.00000000 1.0 
      0.04894749       0.04894749       0.00000000 1.0 
      0.05593999       0.05593999       0.00000000 1.0 
      0.06293249       0.06293249       0.00000000 1.0 
      0.06992499       0.06992499       0.00000000 1.0 
      0.07691749       0.07691749       0.00000000 1.0 
      0.08390999       0.08390999       0.00000000 1.0 
      0.09090249       0.09090249       0.00000000 1.0 
      0.09789499       0.09789499       0.00000000 1.0 
      0.10488749       0.10488749       0.00000000 1.0 
      0.11187998       0.11187998       0.00000000 1.0 
      0.11887248       0.11887248       0.00000000 1.0 
      0.12586498       0.12586498       0.00000000 1.0 
      0.13285748       0.13285748       0.00000000 1.0 
      0.13984998       0.13984998       0.00000000 1.0 
      0.14684248       0.14684248       0.00000000 1.0 
      0.15383498       0.15383498       0.00000000 1.0 
      0.16082748       0.16082748       0.00000000 1.0 
      0.16781998       0.16781998       0.00000000 1.0 
      0.17481248       0.17481248       0.00000000 1.0 
      0.18180498       0.18180498       0.00000000 1.0 
      0.18879747       0.18879747       0.00000000 1.0 
      0.19578997       0.19578997       0.00000000 1.0 
      0.20278247       0.20278247       0.00000000 1.0 
      0.20977497       0.20977497       0.00000000 1.0 
      0.21676747       0.21676747       0.00000000 1.0 
      0.22375997       0.22375997       0.00000000 1.0 
      0.23075247       0.23075247       0.00000000 1.0 
      0.23774497       0.23774497       0.00000000 1.0 
      0.24473747       0.24473747       0.00000000 1.0 
      0.25172997       0.25172997       0.00000000 1.0 
      0.25872247       0.25872247       0.00000000 1.0 
      0.26571496       0.26571496       0.00000000 1.0 
      0.27270746       0.27270746       0.00000000 1.0 
      0.27270746       0.27270746       0.00000000 1.0 
      0.24998184       0.29164851       0.00000000 1.0 
      0.22725622       0.31058955       0.00000000 1.0 
      0.20453060       0.32953060       0.00000000 1.0 
      0.18180498       0.34847164       0.00000000 1.0 
      0.15907935       0.36741269       0.00000000 1.0 
      0.13635373       0.38635373       0.00000000 1.0 
      0.11362811       0.40529478       0.00000000 1.0 
      0.09090249       0.42423582       0.00000000 1.0 
      0.06817687       0.44317687       0.00000000 1.0 
      0.04545124       0.46211791       0.00000000 1.0 
      0.02272562       0.48105896       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.03571429 1.0 
     -0.00000000       0.50000000       0.07142857 1.0 
     -0.00000000       0.50000000       0.10714286 1.0 
     -0.00000000       0.50000000       0.14285714 1.0 
     -0.00000000       0.50000000       0.17857143 1.0 
     -0.00000000       0.50000000       0.21428571 1.0 
     -0.00000000       0.50000000       0.25000000 1.0 
     -0.00000000       0.50000000       0.28571429 1.0 
     -0.00000000       0.50000000       0.32142857 1.0 
     -0.00000000       0.50000000       0.35714286 1.0 
     -0.00000000       0.50000000       0.39285714 1.0 
     -0.00000000       0.50000000       0.42857143 1.0 
     -0.00000000       0.50000000       0.46428571 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
     -0.00000000       0.50000000       0.50000000 1.0 
      0.02272562       0.48105896       0.50000000 1.0 
      0.04545124       0.46211791       0.50000000 1.0 
      0.06817687       0.44317687       0.50000000 1.0 
      0.09090249       0.42423582       0.50000000 1.0 
      0.11362811       0.40529478       0.50000000 1.0 
      0.13635373       0.38635373       0.50000000 1.0 
      0.15907935       0.36741269       0.50000000 1.0 
      0.18180498       0.34847164       0.50000000 1.0 
      0.20453060       0.32953060       0.50000000 1.0 
      0.22725622       0.31058955       0.50000000 1.0 
      0.24998184       0.29164851       0.50000000 1.0 
      0.27270746       0.27270746       0.50000000 1.0 
      0.27270746       0.27270746       0.50000000 1.0 
      0.26571496       0.26571496       0.50000000 1.0 
      0.25872247       0.25872247       0.50000000 1.0 
      0.25172997       0.25172997       0.50000000 1.0 
      0.24473747       0.24473747       0.50000000 1.0 
      0.23774497       0.23774497       0.50000000 1.0 
      0.23075247       0.23075247       0.50000000 1.0 
      0.22375997       0.22375997       0.50000000 1.0 
      0.21676747       0.21676747       0.50000000 1.0 
      0.20977497       0.20977497       0.50000000 1.0 
      0.20278247       0.20278247       0.50000000 1.0 
      0.19578997       0.19578997       0.50000000 1.0 
      0.18879747       0.18879747       0.50000000 1.0 
      0.18180498       0.18180498       0.50000000 1.0 
      0.17481248       0.17481248       0.50000000 1.0 
      0.16781998       0.16781998       0.50000000 1.0 
      0.16082748       0.16082748       0.50000000 1.0 
      0.15383498       0.15383498       0.50000000 1.0 
      0.14684248       0.14684248       0.50000000 1.0 
      0.13984998       0.13984998       0.50000000 1.0 
      0.13285748       0.13285748       0.50000000 1.0 
      0.12586498       0.12586498       0.50000000 1.0 
      0.11887248       0.11887248       0.50000000 1.0 
      0.11187998       0.11187998       0.50000000 1.0 
      0.10488749       0.10488749       0.50000000 1.0 
      0.09789499       0.09789499       0.50000000 1.0 
      0.09090249       0.09090249       0.50000000 1.0 
      0.08390999       0.08390999       0.50000000 1.0 
      0.07691749       0.07691749       0.50000000 1.0 
      0.06992499       0.06992499       0.50000000 1.0 
      0.06293249       0.06293249       0.50000000 1.0 
      0.05593999       0.05593999       0.50000000 1.0 
      0.04894749       0.04894749       0.50000000 1.0 
      0.04195499       0.04195499       0.50000000 1.0 
      0.03496250       0.03496250       0.50000000 1.0 
      0.02797000       0.02797000       0.50000000 1.0 
      0.02097750       0.02097750       0.50000000 1.0 
      0.01398500       0.01398500       0.50000000 1.0 
      0.00699250       0.00699250       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.00000000      -0.00000000       0.46428571 1.0 
      0.00000000       0.00000000       0.42857143 1.0 
     -0.00000000       0.00000000       0.39285714 1.0 
      0.00000000       0.00000000       0.35714286 1.0 
     -0.00000000       0.00000000       0.32142857 1.0 
     -0.00000000      -0.00000000       0.28571429 1.0 
     -0.00000000       0.00000000       0.25000000 1.0 
     -0.00000000       0.00000000       0.21428571 1.0 
     -0.00000000       0.00000000       0.17857143 1.0 
     -0.00000000       0.00000000       0.14285714 1.0 
      0.00000000      -0.00000000       0.10714286 1.0 
      0.00000000      -0.00000000       0.07142857 1.0 
     -0.00000000       0.00000000       0.03571429 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
     -0.02272727       0.02272727       0.00000000 1.0 
     -0.04545455       0.04545455       0.00000000 1.0 
     -0.06818182       0.06818182       0.00000000 1.0 
     -0.09090909       0.09090909       0.00000000 1.0 
     -0.11363636       0.11363636       0.00000000 1.0 
     -0.13636364       0.13636364       0.00000000 1.0 
     -0.15909091       0.15909091       0.00000000 1.0 
     -0.18181818       0.18181818       0.00000000 1.0 
     -0.20454545       0.20454545       0.00000000 1.0 
     -0.22727273       0.22727273       0.00000000 1.0 
     -0.25000000       0.25000000       0.00000000 1.0 
     -0.27272727       0.27272727       0.00000000 1.0 
     -0.29545455       0.29545455       0.00000000 1.0 
     -0.31818182       0.31818182       0.00000000 1.0 
     -0.34090909       0.34090909       0.00000000 1.0 
     -0.36363636       0.36363636       0.00000000 1.0 
     -0.38636364       0.38636364       0.00000000 1.0 
     -0.40909091       0.40909091       0.00000000 1.0 
     -0.43181818       0.43181818       0.00000000 1.0 
     -0.45454545       0.45454545       0.00000000 1.0 
     -0.47727273       0.47727273       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.49289711       0.50710289       0.00000000 1.0 
     -0.48579422       0.51420578       0.00000000 1.0 
     -0.47869132       0.52130868       0.00000000 1.0 
     -0.47158843       0.52841157       0.00000000 1.0 
     -0.46448554       0.53551446       0.00000000 1.0 
     -0.45738265       0.54261735       0.00000000 1.0 
     -0.45027976       0.54972024       0.00000000 1.0 
     -0.44317687       0.55682313       0.00000000 1.0 
     -0.43607397       0.56392603       0.00000000 1.0 
     -0.42897108       0.57102892       0.00000000 1.0 
     -0.42186819       0.57813181       0.00000000 1.0 
     -0.41476530       0.58523470       0.00000000 1.0 
     -0.40766241       0.59233759       0.00000000 1.0 
     -0.40055952       0.59944048       0.00000000 1.0 
     -0.39345662       0.60654338       0.00000000 1.0 
     -0.38635373       0.61364627       0.00000000 1.0 
     -0.37925084       0.62074916       0.00000000 1.0 
     -0.37214795       0.62785205       0.00000000 1.0 
     -0.36504506       0.63495494       0.00000000 1.0 
     -0.35794216       0.64205784       0.00000000 1.0 
     -0.35083927       0.64916073       0.00000000 1.0 
     -0.34373638       0.65626362       0.00000000 1.0 
     -0.33663349       0.66336651       0.00000000 1.0 
     -0.32953060       0.67046940       0.00000000 1.0 
     -0.32242771       0.67757229       0.00000000 1.0 
     -0.31532481       0.68467519       0.00000000 1.0 
     -0.30822192       0.69177808       0.00000000 1.0 
     -0.30111903       0.69888097       0.00000000 1.0 
     -0.29401614       0.70598386       0.00000000 1.0 
     -0.28691325       0.71308675       0.00000000 1.0 
     -0.27981035       0.72018965       0.00000000 1.0 
     -0.27270746       0.72729254       0.00000000 1.0 
     -0.27270746       0.72729254       0.00000000 1.0 
     -0.27270746       0.72729254       0.03571429 1.0 
     -0.27270746       0.72729254       0.07142857 1.0 
     -0.27270746       0.72729254       0.10714286 1.0 
     -0.27270746       0.72729254       0.14285714 1.0 
     -0.27270746       0.72729254       0.17857143 1.0 
     -0.27270746       0.72729254       0.21428571 1.0 
     -0.27270746       0.72729254       0.25000000 1.0 
     -0.27270746       0.72729254       0.28571429 1.0 
     -0.27270746       0.72729254       0.32142857 1.0 
     -0.27270746       0.72729254       0.35714286 1.0 
     -0.27270746       0.72729254       0.39285714 1.0 
     -0.27270746       0.72729254       0.42857143 1.0 
     -0.27270746       0.72729254       0.46428571 1.0 
     -0.27270746       0.72729254       0.50000000 1.0 
     -0.27270746       0.72729254       0.50000000 1.0 
     -0.27981035       0.72018965       0.50000000 1.0 
     -0.28691325       0.71308675       0.50000000 1.0 
     -0.29401614       0.70598386       0.50000000 1.0 
     -0.30111903       0.69888097       0.50000000 1.0 
     -0.30822192       0.69177808       0.50000000 1.0 
     -0.31532481       0.68467519       0.50000000 1.0 
     -0.32242771       0.67757229       0.50000000 1.0 
     -0.32953060       0.67046940       0.50000000 1.0 
     -0.33663349       0.66336651       0.50000000 1.0 
     -0.34373638       0.65626362       0.50000000 1.0 
     -0.35083927       0.64916073       0.50000000 1.0 
     -0.35794216       0.64205784       0.50000000 1.0 
     -0.36504506       0.63495494       0.50000000 1.0 
     -0.37214795       0.62785205       0.50000000 1.0 
     -0.37925084       0.62074916       0.50000000 1.0 
     -0.38635373       0.61364627       0.50000000 1.0 
     -0.39345662       0.60654338       0.50000000 1.0 
     -0.40055952       0.59944048       0.50000000 1.0 
     -0.40766241       0.59233759       0.50000000 1.0 
     -0.41476530       0.58523470       0.50000000 1.0 
     -0.42186819       0.57813181       0.50000000 1.0 
     -0.42897108       0.57102892       0.50000000 1.0 
     -0.43607397       0.56392603       0.50000000 1.0 
     -0.44317687       0.55682313       0.50000000 1.0 
     -0.45027976       0.54972024       0.50000000 1.0 
     -0.45738265       0.54261735       0.50000000 1.0 
     -0.46448554       0.53551446       0.50000000 1.0 
     -0.47158843       0.52841157       0.50000000 1.0 
     -0.47869132       0.52130868       0.50000000 1.0 
     -0.48579422       0.51420578       0.50000000 1.0 
     -0.49289711       0.50710289       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.46428571 1.0 
     -0.50000000       0.50000000       0.42857143 1.0 
     -0.50000000       0.50000000       0.39285714 1.0 
     -0.50000000       0.50000000       0.35714286 1.0 
     -0.50000000       0.50000000       0.32142857 1.0 
     -0.50000000       0.50000000       0.28571429 1.0 
     -0.50000000       0.50000000       0.25000000 1.0 
     -0.50000000       0.50000000       0.21428571 1.0 
     -0.50000000       0.50000000       0.17857143 1.0 
     -0.50000000       0.50000000       0.14285714 1.0 
     -0.50000000       0.50000000       0.10714286 1.0 
     -0.50000000       0.50000000       0.07142857 1.0 
     -0.50000000       0.50000000       0.03571429 1.0 
     -0.50000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.02272727       0.02272727       0.50000000 1.0 
     -0.04545455       0.04545455       0.50000000 1.0 
     -0.06818182       0.06818182       0.50000000 1.0 
     -0.09090909       0.09090909       0.50000000 1.0 
     -0.11363636       0.11363636       0.50000000 1.0 
     -0.13636364       0.13636364       0.50000000 1.0 
     -0.15909091       0.15909091       0.50000000 1.0 
     -0.18181818       0.18181818       0.50000000 1.0 
     -0.20454545       0.20454545       0.50000000 1.0 
     -0.22727273       0.22727273       0.50000000 1.0 
     -0.25000000       0.25000000       0.50000000 1.0 
     -0.27272727       0.27272727       0.50000000 1.0 
     -0.29545455       0.29545455       0.50000000 1.0 
     -0.31818182       0.31818182       0.50000000 1.0 
     -0.34090909       0.34090909       0.50000000 1.0 
     -0.36363636       0.36363636       0.50000000 1.0 
     -0.38636364       0.38636364       0.50000000 1.0 
     -0.40909091       0.40909091       0.50000000 1.0 
     -0.43181818       0.43181818       0.50000000 1.0 
     -0.45454545       0.45454545       0.50000000 1.0 
     -0.47727273       0.47727273       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 

