! Pwscf input file created with ciftopw.py 
! Compound: Rb2CaH4
&control
         calculation     = 'bands'
         prefix          = 'Rb2CaH4'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           15.2803618271966926
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.8446627844844871
         celldm(5)       =           -0.8446627844844871
         celldm(6)       =            0.6893255689689741
         nat             =        7
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      274.00000000
         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
 H   1.0079 H.rel-pbe-rrkjus_psl.1.0.0.UPF 
Ca  40.0780 Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Rb  85.4678 Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
306
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01000000 1.0 
      0.00000000       0.00000000       0.02000000 1.0 
     -0.00000000       0.00000000       0.03000000 1.0 
      0.00000000       0.00000000       0.04000000 1.0 
      0.00000000      -0.00000000       0.05000000 1.0 
     -0.00000000       0.00000000       0.06000000 1.0 
      0.00000000      -0.00000000       0.07000000 1.0 
      0.00000000       0.00000000       0.08000000 1.0 
      0.00000000      -0.00000000       0.09000000 1.0 
      0.00000000      -0.00000000       0.10000000 1.0 
      0.00000000      -0.00000000       0.11000000 1.0 
     -0.00000000       0.00000000       0.12000000 1.0 
      0.00000000       0.00000000       0.13000000 1.0 
      0.00000000      -0.00000000       0.14000000 1.0 
      0.00000000       0.00000000       0.15000000 1.0 
      0.00000000       0.00000000       0.16000000 1.0 
      0.00000000       0.00000000       0.17000000 1.0 
      0.00000000      -0.00000000       0.18000000 1.0 
      0.00000000       0.00000000       0.19000000 1.0 
      0.00000000      -0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.21000000 1.0 
      0.00000000      -0.00000000       0.22000000 1.0 
      0.00000000       0.00000000       0.23000000 1.0 
     -0.00000000       0.00000000       0.24000000 1.0 
      0.00000000       0.00000000       0.25000000 1.0 
      0.00000000       0.00000000       0.26000000 1.0 
      0.00000000       0.00000000       0.27000000 1.0 
      0.00000000      -0.00000000       0.28000000 1.0 
      0.00000000      -0.00000000       0.29000000 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.31000000 1.0 
      0.00000000       0.00000000       0.32000000 1.0 
      0.00000000       0.00000000       0.33000000 1.0 
      0.00000000       0.00000000       0.34000000 1.0 
      0.00000000       0.00000000       0.35000000 1.0 
      0.00000000      -0.00000000       0.36000000 1.0 
     -0.00000000       0.00000000       0.37000000 1.0 
      0.00000000       0.00000000       0.38000000 1.0 
      0.00000000       0.00000000       0.39000000 1.0 
      0.00000000      -0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.41000000 1.0 
      0.00000000       0.00000000       0.42000000 1.0 
      0.00000000      -0.00000000       0.43000000 1.0 
      0.00000000      -0.00000000       0.44000000 1.0 
     -0.00000000       0.00000000       0.45000000 1.0 
      0.00000000       0.00000000       0.46000000 1.0 
      0.00000000      -0.00000000       0.47000000 1.0 
     -0.00000000       0.00000000       0.48000000 1.0 
      0.00000000       0.00000000       0.49000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.00919522       0.00919522       0.50000000 1.0 
     -0.01839044       0.01839044       0.50000000 1.0 
     -0.02758566       0.02758566       0.50000000 1.0 
     -0.03678088       0.03678088       0.50000000 1.0 
     -0.04597610       0.04597610       0.50000000 1.0 
     -0.04597610       0.04597610       0.50000000 1.0 
     -0.05307023       0.05307023       0.49290588 1.0 
     -0.06016435       0.06016435       0.48581175 1.0 
     -0.06725847       0.06725847       0.47871763 1.0 
     -0.07435260       0.07435260       0.47162351 1.0 
     -0.08144672       0.08144672       0.46452938 1.0 
     -0.08854084       0.08854084       0.45743526 1.0 
     -0.09563497       0.09563497       0.45034114 1.0 
     -0.10272909       0.10272909       0.44324701 1.0 
     -0.10982321       0.10982321       0.43615289 1.0 
     -0.11691734       0.11691734       0.42905877 1.0 
     -0.12401146       0.12401146       0.42196464 1.0 
     -0.13110558       0.13110558       0.41487052 1.0 
     -0.13819971       0.13819971       0.40777640 1.0 
     -0.14529383       0.14529383       0.40068227 1.0 
     -0.15238795       0.15238795       0.39358815 1.0 
     -0.15948208       0.15948208       0.38649403 1.0 
     -0.16657620       0.16657620       0.37939990 1.0 
     -0.17367032       0.17367032       0.37230578 1.0 
     -0.18076445       0.18076445       0.36521166 1.0 
     -0.18785857       0.18785857       0.35811753 1.0 
     -0.19495269       0.19495269       0.35102341 1.0 
     -0.20204682       0.20204682       0.34392929 1.0 
     -0.20914094       0.20914094       0.33683516 1.0 
     -0.21623506       0.21623506       0.32974104 1.0 
     -0.22332919       0.22332919       0.32264692 1.0 
     -0.23042331       0.23042331       0.31555279 1.0 
     -0.23751744       0.23751744       0.30845867 1.0 
     -0.24461156       0.24461156       0.30136455 1.0 
     -0.25170568       0.25170568       0.29427042 1.0 
     -0.25879981       0.25879981       0.28717630 1.0 
     -0.26589393       0.26589393       0.28008218 1.0 
     -0.27298805       0.27298805       0.27298805 1.0 
     -0.27298805       0.27298805       0.27298805 1.0 
     -0.26598836       0.26598836       0.26598836 1.0 
     -0.25898866       0.25898866       0.25898866 1.0 
     -0.25198897       0.25198897       0.25198897 1.0 
     -0.24498928       0.24498928       0.24498928 1.0 
     -0.23798958       0.23798958       0.23798958 1.0 
     -0.23098989       0.23098989       0.23098989 1.0 
     -0.22399020       0.22399020       0.22399020 1.0 
     -0.21699050       0.21699050       0.21699050 1.0 
     -0.20999081       0.20999081       0.20999081 1.0 
     -0.20299112       0.20299112       0.20299112 1.0 
     -0.19599142       0.19599142       0.19599142 1.0 
     -0.18899173       0.18899173       0.18899173 1.0 
     -0.18199203       0.18199203       0.18199203 1.0 
     -0.17499234       0.17499234       0.17499234 1.0 
     -0.16799265       0.16799265       0.16799265 1.0 
     -0.16099295       0.16099295       0.16099295 1.0 
     -0.15399326       0.15399326       0.15399326 1.0 
     -0.14699357       0.14699357       0.14699357 1.0 
     -0.13999387       0.13999387       0.13999387 1.0 
     -0.13299418       0.13299418       0.13299418 1.0 
     -0.12599449       0.12599449       0.12599449 1.0 
     -0.11899479       0.11899479       0.11899479 1.0 
     -0.11199510       0.11199510       0.11199510 1.0 
     -0.10499540       0.10499540       0.10499540 1.0 
     -0.09799571       0.09799571       0.09799571 1.0 
     -0.09099602       0.09099602       0.09099602 1.0 
     -0.08399632       0.08399632       0.08399632 1.0 
     -0.07699663       0.07699663       0.07699663 1.0 
     -0.06999694       0.06999694       0.06999694 1.0 
     -0.06299724       0.06299724       0.06299724 1.0 
     -0.05599755       0.05599755       0.05599755 1.0 
     -0.04899786       0.04899786       0.04899786 1.0 
     -0.04199816       0.04199816       0.04199816 1.0 
     -0.03499847       0.03499847       0.03499847 1.0 
     -0.02799877       0.02799877       0.02799877 1.0 
     -0.02099908       0.02099908       0.02099908 1.0 
     -0.01399939       0.01399939       0.01399939 1.0 
     -0.00699969       0.00699969       0.00699969 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.02272727       0.02272727      -0.02272727 1.0 
      0.04545455       0.04545455      -0.04545455 1.0 
      0.06818182       0.06818182      -0.06818182 1.0 
      0.09090909       0.09090909      -0.09090909 1.0 
      0.11363636       0.11363636      -0.11363636 1.0 
      0.13636364       0.13636364      -0.13636364 1.0 
      0.15909091       0.15909091      -0.15909091 1.0 
      0.18181818       0.18181818      -0.18181818 1.0 
      0.20454545       0.20454545      -0.20454545 1.0 
      0.22727273       0.22727273      -0.22727273 1.0 
      0.25000000       0.25000000      -0.25000000 1.0 
      0.27272727       0.27272727      -0.27272727 1.0 
      0.29545455       0.29545455      -0.29545455 1.0 
      0.31818182       0.31818182      -0.31818182 1.0 
      0.34090909       0.34090909      -0.34090909 1.0 
      0.36363636       0.36363636      -0.36363636 1.0 
      0.38636364       0.38636364      -0.38636364 1.0 
      0.40909091       0.40909091      -0.40909091 1.0 
      0.43181818       0.43181818      -0.43181818 1.0 
      0.45454545       0.45454545      -0.45454545 1.0 
      0.47727273       0.47727273      -0.47727273 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
      0.49290588       0.50709412      -0.49290588 1.0 
      0.48581175       0.51418825      -0.48581175 1.0 
      0.47871763       0.52128237      -0.47871763 1.0 
      0.47162351       0.52837649      -0.47162351 1.0 
      0.46452938       0.53547062      -0.46452938 1.0 
      0.45743526       0.54256474      -0.45743526 1.0 
      0.45034114       0.54965886      -0.45034114 1.0 
      0.44324701       0.55675299      -0.44324701 1.0 
      0.43615289       0.56384711      -0.43615289 1.0 
      0.42905877       0.57094123      -0.42905877 1.0 
      0.42196464       0.57803536      -0.42196464 1.0 
      0.41487052       0.58512948      -0.41487052 1.0 
      0.40777640       0.59222360      -0.40777640 1.0 
      0.40068227       0.59931773      -0.40068227 1.0 
      0.39358815       0.60641185      -0.39358815 1.0 
      0.38649403       0.61350597      -0.38649403 1.0 
      0.37939990       0.62060010      -0.37939990 1.0 
      0.37230578       0.62769422      -0.37230578 1.0 
      0.36521166       0.63478834      -0.36521166 1.0 
      0.35811753       0.64188247      -0.35811753 1.0 
      0.35102341       0.64897659      -0.35102341 1.0 
      0.34392929       0.65607071      -0.34392929 1.0 
      0.33683516       0.66316484      -0.33683516 1.0 
      0.32974104       0.67025896      -0.32974104 1.0 
      0.32264692       0.67735308      -0.32264692 1.0 
      0.31555279       0.68444721      -0.31555279 1.0 
      0.30845867       0.69154133      -0.30845867 1.0 
      0.30136455       0.69863545      -0.30136455 1.0 
      0.29427042       0.70572958      -0.29427042 1.0 
      0.28717630       0.71282370      -0.28717630 1.0 
      0.28008218       0.71991782      -0.28008218 1.0 
      0.27298805       0.72701195      -0.27298805 1.0 
      0.27298805       0.72701195      -0.27298805 1.0 
      0.25023905       0.70809429      -0.25023905 1.0 
      0.22749004       0.68917662      -0.22749004 1.0 
      0.20474104       0.67025896      -0.20474104 1.0 
      0.18199203       0.65134130      -0.18199203 1.0 
      0.15924303       0.63242364      -0.15924303 1.0 
      0.13649403       0.61350597      -0.13649403 1.0 
      0.11374502       0.59458831      -0.11374502 1.0 
      0.09099602       0.57567065      -0.09099602 1.0 
      0.06824701       0.55675299      -0.06824701 1.0 
      0.04549801       0.53783532      -0.04549801 1.0 
      0.02274900       0.51891766      -0.02274900 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
      0.00714286       0.49285714       0.00714286 1.0 
      0.01428571       0.48571429       0.01428571 1.0 
      0.02142857       0.47857143       0.02142857 1.0 
      0.02857143       0.47142857       0.02857143 1.0 
      0.03571429       0.46428571       0.03571429 1.0 
      0.04285714       0.45714286       0.04285714 1.0 
      0.05000000       0.45000000       0.05000000 1.0 
      0.05714286       0.44285714       0.05714286 1.0 
      0.06428571       0.43571429       0.06428571 1.0 
      0.07142857       0.42857143       0.07142857 1.0 
      0.07857143       0.42142857       0.07857143 1.0 
      0.08571429       0.41428571       0.08571429 1.0 
      0.09285714       0.40714286       0.09285714 1.0 
      0.10000000       0.40000000       0.10000000 1.0 
      0.10714286       0.39285714       0.10714286 1.0 
      0.11428571       0.38571429       0.11428571 1.0 
      0.12142857       0.37857143       0.12142857 1.0 
      0.12857143       0.37142857       0.12857143 1.0 
      0.13571429       0.36428571       0.13571429 1.0 
      0.14285714       0.35714286       0.14285714 1.0 
      0.15000000       0.35000000       0.15000000 1.0 
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      0.16428571       0.33571429       0.16428571 1.0 
      0.17142857       0.32857143       0.17142857 1.0 
      0.17857143       0.32142857       0.17857143 1.0 
      0.18571429       0.31428571       0.18571429 1.0 
      0.19285714       0.30714286       0.19285714 1.0 
      0.20000000       0.30000000       0.20000000 1.0 
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      0.21428571       0.28571429       0.21428571 1.0 
      0.22142857       0.27857143       0.22142857 1.0 
      0.22857143       0.27142857       0.22857143 1.0 
      0.23571429       0.26428571       0.23571429 1.0 
      0.24285714       0.25714286       0.24285714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.27083333       0.27083333       0.22533532 1.0 
      0.29166667       0.29166667       0.20067065 1.0 
      0.31250000       0.31250000       0.17600597 1.0 
      0.33333333       0.33333333       0.15134130 1.0 
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      0.37500000       0.37500000       0.10201195 1.0 
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      0.41666667       0.41666667       0.05268260 1.0 
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      0.04545455       0.04545455       0.45454545 1.0 
      0.06818182       0.06818182       0.43181818 1.0 
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      0.15909091       0.15909091       0.34090909 1.0 
      0.18181818       0.18181818       0.31818182 1.0 
      0.20454545       0.20454545       0.29545455 1.0 
      0.22727273       0.22727273       0.27272727 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

