! Pwscf input file created with ciftopw.py 
! Compound: Ca3SiBr2
&control
         calculation     = 'bands'
         prefix          = 'Ca3SiBr2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            8.6110818759199592
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            2.6613995670157666
         celldm(4)       =            0.1666389737739324
         celldm(5)       =            0.1666389737739324
         celldm(6)       =            0.4986359656087982
         nat             =        6
         ntyp            =        3
         ecutwfc         =       50.00000000
         ecutrho         =      274.00000000
         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
Br  79.9040 Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-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
324
      0.00000000       0.00000000       0.00000000 1.0 
      0.01219512       0.01219512      -0.00000000 1.0 
      0.02439024       0.02439024      -0.00000000 1.0 
      0.03658537       0.03658537      -0.00000000 1.0 
      0.04878049       0.04878049      -0.00000000 1.0 
      0.06097561       0.06097561       0.00000000 1.0 
      0.07317073       0.07317073      -0.00000000 1.0 
      0.08536585       0.08536585      -0.00000000 1.0 
      0.09756098       0.09756098      -0.00000000 1.0 
      0.10975610       0.10975610      -0.00000000 1.0 
      0.12195122       0.12195122       0.00000000 1.0 
      0.13414634       0.13414634      -0.00000000 1.0 
      0.14634146       0.14634146      -0.00000000 1.0 
      0.15853659       0.15853659       0.00000000 1.0 
      0.17073171       0.17073171      -0.00000000 1.0 
      0.18292683       0.18292683       0.00000000 1.0 
      0.19512195       0.19512195      -0.00000000 1.0 
      0.20731707       0.20731707      -0.00000000 1.0 
      0.21951220       0.21951220      -0.00000000 1.0 
      0.23170732       0.23170732      -0.00000000 1.0 
      0.24390244       0.24390244       0.00000000 1.0 
      0.25609756       0.25609756      -0.00000000 1.0 
      0.26829268       0.26829268      -0.00000000 1.0 
      0.28048780       0.28048780      -0.00000000 1.0 
      0.29268293       0.29268293      -0.00000000 1.0 
      0.30487805       0.30487805       0.00000000 1.0 
      0.31707317       0.31707317       0.00000000 1.0 
      0.32926829       0.32926829       0.00000000 1.0 
      0.34146341       0.34146341      -0.00000000 1.0 
      0.35365854       0.35365854      -0.00000000 1.0 
      0.36585366       0.36585366       0.00000000 1.0 
      0.37804878       0.37804878       0.00000000 1.0 
      0.39024390       0.39024390      -0.00000000 1.0 
      0.40243902       0.40243902      -0.00000000 1.0 
      0.41463415       0.41463415      -0.00000000 1.0 
      0.42682927       0.42682927      -0.00000000 1.0 
      0.43902439       0.43902439      -0.00000000 1.0 
      0.45121951       0.45121951       0.00000000 1.0 
      0.46341463       0.46341463      -0.00000000 1.0 
      0.47560976       0.47560976      -0.00000000 1.0 
      0.48780488       0.48780488       0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50221153       0.50221153       0.03532041 1.0 
      0.50442305       0.50442305       0.07064083 1.0 
      0.50663458       0.50663458       0.10596124 1.0 
      0.50884611       0.50884611       0.14128165 1.0 
      0.51105764       0.51105764       0.17660207 1.0 
      0.51326916       0.51326916       0.21192248 1.0 
      0.51326916       0.51326916       0.21192248 1.0 
      0.51161052       0.51161052       0.24793217 1.0 
      0.50995187       0.50995187       0.28394186 1.0 
      0.50829323       0.50829323       0.31995155 1.0 
      0.50663458       0.50663458       0.35596124 1.0 
      0.50497594       0.50497594       0.39197093 1.0 
      0.50331729       0.50331729       0.42798062 1.0 
      0.50165865       0.50165865       0.46399031 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50725088       0.49274912       0.50000000 1.0 
      0.51450176       0.48549824       0.50000000 1.0 
      0.52175264       0.47824736       0.50000000 1.0 
      0.52900353       0.47099647       0.50000000 1.0 
      0.53625441       0.46374559       0.50000000 1.0 
      0.54350529       0.45649471       0.50000000 1.0 
      0.55075617       0.44924383       0.50000000 1.0 
      0.55800705       0.44199295       0.50000000 1.0 
      0.56525793       0.43474207       0.50000000 1.0 
      0.57250882       0.42749118       0.50000000 1.0 
      0.57975970       0.42024030       0.50000000 1.0 
      0.58701058       0.41298942       0.50000000 1.0 
      0.59426146       0.40573854       0.50000000 1.0 
      0.60151234       0.39848766       0.50000000 1.0 
      0.60876322       0.39123678       0.50000000 1.0 
      0.61601410       0.38398590       0.50000000 1.0 
      0.62326499       0.37673501       0.50000000 1.0 
      0.63051587       0.36948413       0.50000000 1.0 
      0.63776675       0.36223325       0.50000000 1.0 
      0.64501763       0.35498237       0.50000000 1.0 
      0.65226851       0.34773149       0.50000000 1.0 
      0.65951939       0.34048061       0.50000000 1.0 
      0.66677027       0.33322973       0.50000000 1.0 
      0.67402116       0.32597884       0.50000000 1.0 
      0.32597884      -0.32597884       0.50000000 1.0 
      0.31873487      -0.31873487       0.50000000 1.0 
      0.31149090      -0.31149090       0.50000000 1.0 
      0.30424692      -0.30424692       0.50000000 1.0 
      0.29700295      -0.29700295       0.50000000 1.0 
      0.28975897      -0.28975897       0.50000000 1.0 
      0.28251500      -0.28251500       0.50000000 1.0 
      0.27527102      -0.27527102       0.50000000 1.0 
      0.26802705      -0.26802705       0.50000000 1.0 
      0.26078308      -0.26078308       0.50000000 1.0 
      0.25353910      -0.25353910       0.50000000 1.0 
      0.24629513      -0.24629513       0.50000000 1.0 
      0.23905115      -0.23905115       0.50000000 1.0 
      0.23180718      -0.23180718       0.50000000 1.0 
      0.22456320      -0.22456320       0.50000000 1.0 
      0.21731923      -0.21731923       0.50000000 1.0 
      0.21007525      -0.21007525       0.50000000 1.0 
      0.20283128      -0.20283128       0.50000000 1.0 
      0.19558731      -0.19558731       0.50000000 1.0 
      0.18834333      -0.18834333       0.50000000 1.0 
      0.18109936      -0.18109936       0.50000000 1.0 
      0.17385538      -0.17385538       0.50000000 1.0 
      0.16661141      -0.16661141       0.50000000 1.0 
      0.15936743      -0.15936743       0.50000000 1.0 
      0.15212346      -0.15212346       0.50000000 1.0 
      0.14487949      -0.14487949       0.50000000 1.0 
      0.13763551      -0.13763551       0.50000000 1.0 
      0.13039154      -0.13039154       0.50000000 1.0 
      0.12314756      -0.12314756       0.50000000 1.0 
      0.11590359      -0.11590359       0.50000000 1.0 
      0.10865961      -0.10865961       0.50000000 1.0 
      0.10141564      -0.10141564       0.50000000 1.0 
      0.09417167      -0.09417167       0.50000000 1.0 
      0.08692769      -0.08692769       0.50000000 1.0 
      0.07968372      -0.07968372       0.50000000 1.0 
      0.07243974      -0.07243974       0.50000000 1.0 
      0.06519577      -0.06519577       0.50000000 1.0 
      0.05795179      -0.05795179       0.50000000 1.0 
      0.05070782      -0.05070782       0.50000000 1.0 
      0.04346385      -0.04346385       0.50000000 1.0 
      0.03621987      -0.03621987       0.50000000 1.0 
      0.02897590      -0.02897590       0.50000000 1.0 
      0.02173192      -0.02173192       0.50000000 1.0 
      0.01448795      -0.01448795       0.50000000 1.0 
      0.00724397      -0.00724397       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01248028       0.01248028       0.50738660 1.0 
      0.02496056       0.02496056       0.51477321 1.0 
      0.03744083       0.03744083       0.52215981 1.0 
      0.04992111       0.04992111       0.52954641 1.0 
      0.06240139       0.06240139       0.53693302 1.0 
      0.07488167       0.07488167       0.54431962 1.0 
      0.08736195       0.08736195       0.55170622 1.0 
      0.09984222       0.09984222       0.55909282 1.0 
      0.11232250       0.11232250       0.56647943 1.0 
      0.12480278       0.12480278       0.57386603 1.0 
      0.13728306       0.13728306       0.58125263 1.0 
      0.14976333       0.14976333       0.58863924 1.0 
      0.16224361       0.16224361       0.59602584 1.0 
      0.17472389       0.17472389       0.60341244 1.0 
      0.18720417       0.18720417       0.61079905 1.0 
      0.19968445       0.19968445       0.61818565 1.0 
      0.21216472       0.21216472       0.62557225 1.0 
      0.22464500       0.22464500       0.63295886 1.0 
      0.23712528       0.23712528       0.64034546 1.0 
      0.24960556       0.24960556       0.64773206 1.0 
      0.26208584       0.26208584       0.65511867 1.0 
      0.27456611       0.27456611       0.66250527 1.0 
      0.28704639       0.28704639       0.66989187 1.0 
      0.29952667       0.29952667       0.67727847 1.0 
      0.31200695       0.31200695       0.68466508 1.0 
      0.32448722       0.32448722       0.69205168 1.0 
      0.33696750       0.33696750       0.69943828 1.0 
      0.34944778       0.34944778       0.70682489 1.0 
      0.36192806       0.36192806       0.71421149 1.0 
      0.37440834       0.37440834       0.72159809 1.0 
      0.38688861       0.38688861       0.72898470 1.0 
      0.39936889       0.39936889       0.73637130 1.0 
      0.41184917       0.41184917       0.74375790 1.0 
      0.42432945       0.42432945       0.75114451 1.0 
      0.43680973       0.43680973       0.75853111 1.0 
      0.44929000       0.44929000       0.76591771 1.0 
      0.46177028       0.46177028       0.77330431 1.0 
      0.47425056       0.47425056       0.78069092 1.0 
      0.48673084       0.48673084       0.78807752 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50709324       0.49290676      -0.00000000 1.0 
      0.51418648       0.48581352      -0.00000000 1.0 
      0.52127972       0.47872028      -0.00000000 1.0 
      0.52837296       0.47162704      -0.00000000 1.0 
      0.53546621       0.46453379      -0.00000000 1.0 
      0.54255945       0.45744055      -0.00000000 1.0 
      0.54965269       0.45034731      -0.00000000 1.0 
      0.55674593       0.44325407      -0.00000000 1.0 
      0.56383917       0.43616083      -0.00000000 1.0 
      0.57093241       0.42906759      -0.00000000 1.0 
      0.57802565       0.42197435      -0.00000000 1.0 
      0.58511889       0.41488111      -0.00000000 1.0 
      0.59221213       0.40778787      -0.00000000 1.0 
      0.59930538       0.40069462      -0.00000000 1.0 
      0.60639862       0.39360138      -0.00000000 1.0 
      0.61349186       0.38650814      -0.00000000 1.0 
      0.62058510       0.37941490      -0.00000000 1.0 
      0.62767834       0.37232166      -0.00000000 1.0 
      0.63477158       0.36522842      -0.00000000 1.0 
      0.64186482       0.35813518      -0.00000000 1.0 
      0.64895806       0.35104194      -0.00000000 1.0 
      0.65605130       0.34394870      -0.00000000 1.0 
      0.66314455       0.33685545      -0.00000000 1.0 
      0.33685545      -0.33685545       0.00000000 1.0 
      0.32968832      -0.32968832       0.00000000 1.0 
      0.32252118      -0.32252118       0.00000000 1.0 
      0.31535404      -0.31535404       0.00000000 1.0 
      0.30818691      -0.30818691       0.00000000 1.0 
      0.30101977      -0.30101977       0.00000000 1.0 
      0.29385263      -0.29385263       0.00000000 1.0 
      0.28668549      -0.28668549       0.00000000 1.0 
      0.27951836      -0.27951836       0.00000000 1.0 
      0.27235122      -0.27235122       0.00000000 1.0 
      0.26518408      -0.26518408       0.00000000 1.0 
      0.25801694      -0.25801694       0.00000000 1.0 
      0.25084981      -0.25084981       0.00000000 1.0 
      0.24368267      -0.24368267       0.00000000 1.0 
      0.23651553      -0.23651553       0.00000000 1.0 
      0.22934839      -0.22934839       0.00000000 1.0 
      0.22218126      -0.22218126       0.00000000 1.0 
      0.21501412      -0.21501412       0.00000000 1.0 
      0.20784698      -0.20784698       0.00000000 1.0 
      0.20067985      -0.20067985       0.00000000 1.0 
      0.19351271      -0.19351271       0.00000000 1.0 
      0.18634557      -0.18634557       0.00000000 1.0 
      0.17917843      -0.17917843       0.00000000 1.0 
      0.17201130      -0.17201130       0.00000000 1.0 
      0.16484416      -0.16484416       0.00000000 1.0 
      0.15767702      -0.15767702       0.00000000 1.0 
      0.15050988      -0.15050988       0.00000000 1.0 
      0.14334275      -0.14334275       0.00000000 1.0 
      0.13617561      -0.13617561       0.00000000 1.0 
      0.12900847      -0.12900847       0.00000000 1.0 
      0.12184133      -0.12184133       0.00000000 1.0 
      0.11467420      -0.11467420       0.00000000 1.0 
      0.10750706      -0.10750706       0.00000000 1.0 
      0.10033992      -0.10033992       0.00000000 1.0 
      0.09317279      -0.09317279       0.00000000 1.0 
      0.08600565      -0.08600565       0.00000000 1.0 
      0.07883851      -0.07883851       0.00000000 1.0 
      0.07167137      -0.07167137       0.00000000 1.0 
      0.06450424      -0.06450424       0.00000000 1.0 
      0.05733710      -0.05733710       0.00000000 1.0 
      0.05016996      -0.05016996       0.00000000 1.0 
      0.04300282      -0.04300282       0.00000000 1.0 
      0.03583569      -0.03583569       0.00000000 1.0 
      0.02866855      -0.02866855       0.00000000 1.0 
      0.02150141      -0.02150141       0.00000000 1.0 
      0.01433427      -0.01433427       0.00000000 1.0 
      0.00716714      -0.00716714       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01250000       0.00000000       0.00000000 1.0 
      0.02500000       0.00000000       0.00000000 1.0 
      0.03750000       0.00000000       0.00000000 1.0 
      0.05000000       0.00000000       0.00000000 1.0 
      0.06250000       0.00000000       0.00000000 1.0 
      0.07500000       0.00000000       0.00000000 1.0 
      0.08750000       0.00000000       0.00000000 1.0 
      0.10000000       0.00000000       0.00000000 1.0 
      0.11250000       0.00000000       0.00000000 1.0 
      0.12500000       0.00000000       0.00000000 1.0 
      0.13750000       0.00000000       0.00000000 1.0 
      0.15000000       0.00000000       0.00000000 1.0 
      0.16250000       0.00000000       0.00000000 1.0 
      0.17500000       0.00000000       0.00000000 1.0 
      0.18750000       0.00000000       0.00000000 1.0 
      0.20000000       0.00000000       0.00000000 1.0 
      0.21250000       0.00000000       0.00000000 1.0 
      0.22500000       0.00000000       0.00000000 1.0 
      0.23750000       0.00000000       0.00000000 1.0 
      0.25000000       0.00000000       0.00000000 1.0 
      0.26250000       0.00000000       0.00000000 1.0 
      0.27500000       0.00000000       0.00000000 1.0 
      0.28750000       0.00000000       0.00000000 1.0 
      0.30000000       0.00000000       0.00000000 1.0 
      0.31250000       0.00000000       0.00000000 1.0 
      0.32500000       0.00000000       0.00000000 1.0 
      0.33750000       0.00000000       0.00000000 1.0 
      0.35000000       0.00000000       0.00000000 1.0 
      0.36250000       0.00000000       0.00000000 1.0 
      0.37500000       0.00000000       0.00000000 1.0 
      0.38750000       0.00000000       0.00000000 1.0 
      0.40000000       0.00000000       0.00000000 1.0 
      0.41250000       0.00000000       0.00000000 1.0 
      0.42500000       0.00000000       0.00000000 1.0 
      0.43750000       0.00000000       0.00000000 1.0 
      0.45000000       0.00000000       0.00000000 1.0 
      0.46250000       0.00000000       0.00000000 1.0 
      0.47500000       0.00000000       0.00000000 1.0 
      0.48750000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48780488       0.00000000       0.48780488 1.0 
      0.47560976       0.00000000       0.47560976 1.0 
      0.46341463       0.00000000       0.46341463 1.0 
      0.45121951       0.00000000       0.45121951 1.0 
      0.43902439       0.00000000       0.43902439 1.0 
      0.42682927       0.00000000       0.42682927 1.0 
      0.41463415       0.00000000       0.41463415 1.0 
      0.40243902       0.00000000       0.40243902 1.0 
      0.39024390       0.00000000       0.39024390 1.0 
      0.37804878       0.00000000       0.37804878 1.0 
      0.36585366       0.00000000       0.36585366 1.0 
      0.35365854       0.00000000       0.35365854 1.0 
      0.34146341       0.00000000       0.34146341 1.0 
      0.32926829       0.00000000       0.32926829 1.0 
      0.31707317       0.00000000       0.31707317 1.0 
      0.30487805       0.00000000       0.30487805 1.0 
      0.29268293       0.00000000       0.29268293 1.0 
      0.28048780       0.00000000       0.28048780 1.0 
      0.26829268       0.00000000       0.26829268 1.0 
      0.25609756       0.00000000       0.25609756 1.0 
      0.24390244       0.00000000       0.24390244 1.0 
      0.23170732       0.00000000       0.23170732 1.0 
      0.21951220       0.00000000       0.21951220 1.0 
      0.20731707       0.00000000       0.20731707 1.0 
      0.19512195       0.00000000       0.19512195 1.0 
      0.18292683       0.00000000       0.18292683 1.0 
      0.17073171      -0.00000000       0.17073171 1.0 
      0.15853659      -0.00000000       0.15853659 1.0 
      0.14634146       0.00000000       0.14634146 1.0 
      0.13414634       0.00000000       0.13414634 1.0 
      0.12195122       0.00000000       0.12195122 1.0 
      0.10975610       0.00000000       0.10975610 1.0 
      0.09756098       0.00000000       0.09756098 1.0 
      0.08536585       0.00000000       0.08536585 1.0 
      0.07317073       0.00000000       0.07317073 1.0 
      0.06097561       0.00000000       0.06097561 1.0 
      0.04878049       0.00000000       0.04878049 1.0 
      0.03658537       0.00000000       0.03658537 1.0 
      0.02439024      -0.00000000       0.02439024 1.0 
      0.01219512       0.00000000       0.01219512 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

