! Pwscf input file created with ciftopw.py 
! Compound: Cs2CrF6
&control
         calculation     = 'bands'
         prefix          = 'Cs2CrF6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           12.0555397900081349
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000002
         celldm(4)       =            0.5000000000000001
         celldm(5)       =            0.5000000000000001
         celldm(6)       =            0.5000000000000001
         nat             =        9
         ntyp            =        3
         ecutwfc         =       80.00000000
         ecutrho         =      320.00000000
         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
Cr  51.9961 Cr.rel-pbe-oncvpsp.UPF 
 F  18.9984 F.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Cs 132.9055 Cs.rel-pbe-oncvpsp.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
239
      0.00000000       0.00000000       0.00000000 1.0 
      0.01428571      -0.00000000       0.01428571 1.0 
      0.02857143      -0.00000000       0.02857143 1.0 
      0.04285714       0.00000000       0.04285714 1.0 
      0.05714286      -0.00000000       0.05714286 1.0 
      0.07142857       0.00000000       0.07142857 1.0 
      0.08571429       0.00000000       0.08571429 1.0 
      0.10000000       0.00000000       0.10000000 1.0 
      0.11428571      -0.00000000       0.11428571 1.0 
      0.12857143       0.00000000       0.12857143 1.0 
      0.14285714       0.00000000       0.14285714 1.0 
      0.15714286       0.00000000       0.15714286 1.0 
      0.17142857       0.00000000       0.17142857 1.0 
      0.18571429       0.00000000       0.18571429 1.0 
      0.20000000       0.00000000       0.20000000 1.0 
      0.21428571       0.00000000       0.21428571 1.0 
      0.22857143      -0.00000000       0.22857143 1.0 
      0.24285714       0.00000000       0.24285714 1.0 
      0.25714286       0.00000000       0.25714286 1.0 
      0.27142857       0.00000000       0.27142857 1.0 
      0.28571429       0.00000000       0.28571429 1.0 
      0.30000000       0.00000000       0.30000000 1.0 
      0.31428571       0.00000000       0.31428571 1.0 
      0.32857143       0.00000000       0.32857143 1.0 
      0.34285714       0.00000000       0.34285714 1.0 
      0.35714286       0.00000000       0.35714286 1.0 
      0.37142857       0.00000000       0.37142857 1.0 
      0.38571429       0.00000000       0.38571429 1.0 
      0.40000000       0.00000000       0.40000000 1.0 
      0.41428571       0.00000000       0.41428571 1.0 
      0.42857143       0.00000000       0.42857143 1.0 
      0.44285714       0.00000000       0.44285714 1.0 
      0.45714286      -0.00000000       0.45714286 1.0 
      0.47142857       0.00000000       0.47142857 1.0 
      0.48571429       0.00000000       0.48571429 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.50000000       0.01388889       0.51388889 1.0 
      0.50000000       0.02777778       0.52777778 1.0 
      0.50000000       0.04166667       0.54166667 1.0 
      0.50000000       0.05555556       0.55555556 1.0 
      0.50000000       0.06944444       0.56944444 1.0 
      0.50000000       0.08333333       0.58333333 1.0 
      0.50000000       0.09722222       0.59722222 1.0 
      0.50000000       0.11111111       0.61111111 1.0 
      0.50000000       0.12500000       0.62500000 1.0 
      0.50000000       0.13888889       0.63888889 1.0 
      0.50000000       0.15277778       0.65277778 1.0 
      0.50000000       0.16666667       0.66666667 1.0 
      0.50000000       0.18055556       0.68055556 1.0 
      0.50000000       0.19444444       0.69444444 1.0 
      0.50000000       0.20833333       0.70833333 1.0 
      0.50000000       0.22222222       0.72222222 1.0 
      0.50000000       0.23611111       0.73611111 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.49038462       0.25961538       0.75000000 1.0 
      0.48076923       0.26923077       0.75000000 1.0 
      0.47115385       0.27884615       0.75000000 1.0 
      0.46153846       0.28846154       0.75000000 1.0 
      0.45192308       0.29807692       0.75000000 1.0 
      0.44230769       0.30769231       0.75000000 1.0 
      0.43269231       0.31730769       0.75000000 1.0 
      0.42307692       0.32692308       0.75000000 1.0 
      0.41346154       0.33653846       0.75000000 1.0 
      0.40384615       0.34615385       0.75000000 1.0 
      0.39423077       0.35576923       0.75000000 1.0 
      0.38461538       0.36538462       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.36486486       0.36486486       0.72972973 1.0 
      0.35472973       0.35472973       0.70945946 1.0 
      0.34459459       0.34459459       0.68918919 1.0 
      0.33445946       0.33445946       0.66891892 1.0 
      0.32432432       0.32432432       0.64864865 1.0 
      0.31418919       0.31418919       0.62837838 1.0 
      0.30405405       0.30405405       0.60810811 1.0 
      0.29391892       0.29391892       0.58783784 1.0 
      0.28378378       0.28378378       0.56756757 1.0 
      0.27364865       0.27364865       0.54729730 1.0 
      0.26351351       0.26351351       0.52702703 1.0 
      0.25337838       0.25337838       0.50675676 1.0 
      0.24324324       0.24324324       0.48648649 1.0 
      0.23310811       0.23310811       0.46621622 1.0 
      0.22297297       0.22297297       0.44594595 1.0 
      0.21283784       0.21283784       0.42567568 1.0 
      0.20270270       0.20270270       0.40540541 1.0 
      0.19256757       0.19256757       0.38513514 1.0 
      0.18243243       0.18243243       0.36486486 1.0 
      0.17229730       0.17229730       0.34459459 1.0 
      0.16216216       0.16216216       0.32432432 1.0 
      0.15202703       0.15202703       0.30405405 1.0 
      0.14189189       0.14189189       0.28378378 1.0 
      0.13175676       0.13175676       0.26351351 1.0 
      0.12162162       0.12162162       0.24324324 1.0 
      0.11148649       0.11148649       0.22297297 1.0 
      0.10135135       0.10135135       0.20270270 1.0 
      0.09121622       0.09121622       0.18243243 1.0 
      0.08108108       0.08108108       0.16216216 1.0 
      0.07094595       0.07094595       0.14189189 1.0 
      0.06081081       0.06081081       0.12162162 1.0 
      0.05067568       0.05067568       0.10135135 1.0 
      0.04054054       0.04054054       0.08108108 1.0 
      0.03040541       0.03040541       0.06081081 1.0 
      0.02027027       0.02027027       0.04054054 1.0 
      0.01013514       0.01013514       0.02027027 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.01612903       0.01612903 1.0 
      0.03225806       0.03225806       0.03225806 1.0 
      0.04838710       0.04838710       0.04838710 1.0 
      0.06451613       0.06451613       0.06451613 1.0 
      0.08064516       0.08064516       0.08064516 1.0 
      0.09677419       0.09677419       0.09677419 1.0 
      0.11290323       0.11290323       0.11290323 1.0 
      0.12903226       0.12903226       0.12903226 1.0 
      0.14516129       0.14516129       0.14516129 1.0 
      0.16129032       0.16129032       0.16129032 1.0 
      0.17741935       0.17741935       0.17741935 1.0 
      0.19354839       0.19354839       0.19354839 1.0 
      0.20967742       0.20967742       0.20967742 1.0 
      0.22580645       0.22580645       0.22580645 1.0 
      0.24193548       0.24193548       0.24193548 1.0 
      0.25806452       0.25806452       0.25806452 1.0 
      0.27419355       0.27419355       0.27419355 1.0 
      0.29032258       0.29032258       0.29032258 1.0 
      0.30645161       0.30645161       0.30645161 1.0 
      0.32258065       0.32258065       0.32258065 1.0 
      0.33870968       0.33870968       0.33870968 1.0 
      0.35483871       0.35483871       0.35483871 1.0 
      0.37096774       0.37096774       0.37096774 1.0 
      0.38709677       0.38709677       0.38709677 1.0 
      0.40322581       0.40322581       0.40322581 1.0 
      0.41935484       0.41935484       0.41935484 1.0 
      0.43548387       0.43548387       0.43548387 1.0 
      0.45161290       0.45161290       0.45161290 1.0 
      0.46774194       0.46774194       0.46774194 1.0 
      0.48387097       0.48387097       0.48387097 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50568182       0.48863636       0.50568182 1.0 
      0.51136364       0.47727273       0.51136364 1.0 
      0.51704545       0.46590909       0.51704545 1.0 
      0.52272727       0.45454545       0.52272727 1.0 
      0.52840909       0.44318182       0.52840909 1.0 
      0.53409091       0.43181818       0.53409091 1.0 
      0.53977273       0.42045455       0.53977273 1.0 
      0.54545455       0.40909091       0.54545455 1.0 
      0.55113636       0.39772727       0.55113636 1.0 
      0.55681818       0.38636364       0.55681818 1.0 
      0.56250000       0.37500000       0.56250000 1.0 
      0.56818182       0.36363636       0.56818182 1.0 
      0.57386364       0.35227273       0.57386364 1.0 
      0.57954545       0.34090909       0.57954545 1.0 
      0.58522727       0.32954545       0.58522727 1.0 
      0.59090909       0.31818182       0.59090909 1.0 
      0.59659091       0.30681818       0.59659091 1.0 
      0.60227273       0.29545455       0.60227273 1.0 
      0.60795455       0.28409091       0.60795455 1.0 
      0.61363636       0.27272727       0.61363636 1.0 
      0.61931818       0.26136364       0.61931818 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61538462       0.25000000       0.63461538 1.0 
      0.60576923       0.25000000       0.64423077 1.0 
      0.59615385       0.25000000       0.65384615 1.0 
      0.58653846       0.25000000       0.66346154 1.0 
      0.57692308       0.25000000       0.67307692 1.0 
      0.56730769       0.25000000       0.68269231 1.0 
      0.55769231       0.25000000       0.69230769 1.0 
      0.54807692       0.25000000       0.70192308 1.0 
      0.53846154       0.25000000       0.71153846 1.0 
      0.52884615       0.25000000       0.72115385 1.0 
      0.51923077       0.25000000       0.73076923 1.0 
      0.50961538       0.25000000       0.74038462 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.25000000       0.75000000 1.0 
      0.50000000       0.26000000       0.74000000 1.0 
      0.50000000       0.27000000       0.73000000 1.0 
      0.50000000       0.28000000       0.72000000 1.0 
      0.50000000       0.29000000       0.71000000 1.0 
      0.50000000       0.30000000       0.70000000 1.0 
      0.50000000       0.31000000       0.69000000 1.0 
      0.50000000       0.32000000       0.68000000 1.0 
      0.50000000       0.33000000       0.67000000 1.0 
      0.50000000       0.34000000       0.66000000 1.0 
      0.50000000       0.35000000       0.65000000 1.0 
      0.50000000       0.36000000       0.64000000 1.0 
      0.50000000       0.37000000       0.63000000 1.0 
      0.50000000       0.38000000       0.62000000 1.0 
      0.50000000       0.39000000       0.61000000 1.0 
      0.50000000       0.40000000       0.60000000 1.0 
      0.50000000       0.41000000       0.59000000 1.0 
      0.50000000       0.42000000       0.58000000 1.0 
      0.50000000       0.43000000       0.57000000 1.0 
      0.50000000       0.44000000       0.56000000 1.0 
      0.50000000       0.45000000       0.55000000 1.0 
      0.50000000       0.46000000       0.54000000 1.0 
      0.50000000       0.47000000       0.53000000 1.0 
      0.50000000       0.48000000       0.52000000 1.0 
      0.50000000       0.49000000       0.51000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.49431818       0.49431818       0.51136364 1.0 
      0.48863636       0.48863636       0.52272727 1.0 
      0.48295455       0.48295455       0.53409091 1.0 
      0.47727273       0.47727273       0.54545455 1.0 
      0.47159091       0.47159091       0.55681818 1.0 
      0.46590909       0.46590909       0.56818182 1.0 
      0.46022727       0.46022727       0.57954545 1.0 
      0.45454545       0.45454545       0.59090909 1.0 
      0.44886364       0.44886364       0.60227273 1.0 
      0.44318182       0.44318182       0.61363636 1.0 
      0.43750000       0.43750000       0.62500000 1.0 
      0.43181818       0.43181818       0.63636364 1.0 
      0.42613636       0.42613636       0.64772727 1.0 
      0.42045455       0.42045455       0.65909091 1.0 
      0.41477273       0.41477273       0.67045455 1.0 
      0.40909091       0.40909091       0.68181818 1.0 
      0.40340909       0.40340909       0.69318182 1.0 
      0.39772727       0.39772727       0.70454545 1.0 
      0.39204545       0.39204545       0.71590909 1.0 
      0.38636364       0.38636364       0.72727273 1.0 
      0.38068182       0.38068182       0.73863636 1.0 
      0.37500000       0.37500000       0.75000000 1.0 
      0.62500000       0.25000000       0.62500000 1.0 
      0.61538462       0.23076923       0.61538462 1.0 
      0.60576923       0.21153846       0.60576923 1.0 
      0.59615385       0.19230769       0.59615385 1.0 
      0.58653846       0.17307692       0.58653846 1.0 
      0.57692308       0.15384615       0.57692308 1.0 
      0.56730769       0.13461538       0.56730769 1.0 
      0.55769231       0.11538462       0.55769231 1.0 
      0.54807692       0.09615385       0.54807692 1.0 
      0.53846154       0.07692308       0.53846154 1.0 
      0.52884615       0.05769231       0.52884615 1.0 
      0.51923077       0.03846154       0.51923077 1.0 
      0.50961538       0.01923077       0.50961538 1.0 
      0.50000000       0.00000000       0.50000000 1.0 

