! Pwscf input file created with ciftopw.py 
! Compound: K2TeCl6
&control
         calculation     = 'bands'
         prefix          = 'K2TeCl6'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           13.5493946420249891
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.5000043766357676
         celldm(5)       =           -0.5000043766357676
         celldm(6)       =            0.0000087532715353
         nat             =        9
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      278.00000000
         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
Cl  35.4530 Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 K  39.0983 K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Te 127.6000 Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
239
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01612903 1.0 
      0.00000000       0.00000000       0.03225806 1.0 
     -0.00000000       0.00000000       0.04838710 1.0 
      0.00000000       0.00000000       0.06451613 1.0 
      0.00000000       0.00000000       0.08064516 1.0 
     -0.00000000       0.00000000       0.09677419 1.0 
      0.00000000       0.00000000       0.11290323 1.0 
      0.00000000       0.00000000       0.12903226 1.0 
      0.00000000       0.00000000       0.14516129 1.0 
      0.00000000       0.00000000       0.16129032 1.0 
     -0.00000000       0.00000000       0.17741935 1.0 
     -0.00000000       0.00000000       0.19354839 1.0 
     -0.00000000       0.00000000       0.20967742 1.0 
      0.00000000       0.00000000       0.22580645 1.0 
      0.00000000       0.00000000       0.24193548 1.0 
      0.00000000       0.00000000       0.25806452 1.0 
      0.00000000       0.00000000       0.27419355 1.0 
      0.00000000       0.00000000       0.29032258 1.0 
     -0.00000000       0.00000000       0.30645161 1.0 
      0.00000000       0.00000000       0.32258065 1.0 
     -0.00000000       0.00000000       0.33870968 1.0 
     -0.00000000       0.00000000       0.35483871 1.0 
      0.00000000       0.00000000       0.37096774 1.0 
     -0.00000000       0.00000000       0.38709677 1.0 
      0.00000000       0.00000000       0.40322581 1.0 
     -0.00000000       0.00000000       0.41935484 1.0 
     -0.00000000       0.00000000       0.43548387 1.0 
      0.00000000       0.00000000       0.45161290 1.0 
     -0.00000000       0.00000000       0.46774194 1.0 
      0.00000000       0.00000000       0.48387097 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
     -0.01562473       0.01562473       0.50000000 1.0 
     -0.03124945       0.03124945       0.50000000 1.0 
     -0.04687418       0.04687418       0.50000000 1.0 
     -0.06249891       0.06249891       0.50000000 1.0 
     -0.07812363       0.07812363       0.50000000 1.0 
     -0.09374836       0.09374836       0.50000000 1.0 
     -0.10937309       0.10937309       0.50000000 1.0 
     -0.12499781       0.12499781       0.50000000 1.0 
     -0.14062254       0.14062254       0.50000000 1.0 
     -0.15624726       0.15624726       0.50000000 1.0 
     -0.17187199       0.17187199       0.50000000 1.0 
     -0.18749672       0.18749672       0.50000000 1.0 
     -0.20312144       0.20312144       0.50000000 1.0 
     -0.21874617       0.21874617       0.50000000 1.0 
     -0.23437090       0.23437090       0.50000000 1.0 
     -0.24999562       0.24999562       0.50000000 1.0 
     -0.24999562       0.24999562       0.50000000 1.0 
     -0.26135946       0.26135946       0.48863616 1.0 
     -0.27272329       0.27272329       0.47727233 1.0 
     -0.28408713       0.28408713       0.46590849 1.0 
     -0.29545096       0.29545096       0.45454466 1.0 
     -0.30681480       0.30681480       0.44318082 1.0 
     -0.31817864       0.31817864       0.43181699 1.0 
     -0.32954247       0.32954247       0.42045315 1.0 
     -0.34090631       0.34090631       0.40908932 1.0 
     -0.35227014       0.35227014       0.39772548 1.0 
     -0.36363398       0.36363398       0.38636165 1.0 
     -0.37499781       0.37499781       0.37499781 1.0 
     -0.37499781       0.37499781       0.37499781 1.0 
     -0.36363424       0.36363424       0.36363424 1.0 
     -0.35227067       0.35227067       0.35227067 1.0 
     -0.34090710       0.34090710       0.34090710 1.0 
     -0.32954353       0.32954353       0.32954353 1.0 
     -0.31817996       0.31817996       0.31817996 1.0 
     -0.30681639       0.30681639       0.30681639 1.0 
     -0.29545282       0.29545282       0.29545282 1.0 
     -0.28408925       0.28408925       0.28408925 1.0 
     -0.27272568       0.27272568       0.27272568 1.0 
     -0.26136211       0.26136211       0.26136211 1.0 
     -0.24999854       0.24999854       0.24999854 1.0 
     -0.23863497       0.23863497       0.23863497 1.0 
     -0.22727140       0.22727140       0.22727140 1.0 
     -0.21590783       0.21590783       0.21590783 1.0 
     -0.20454426       0.20454426       0.20454426 1.0 
     -0.19318069       0.19318069       0.19318069 1.0 
     -0.18181712       0.18181712       0.18181712 1.0 
     -0.17045355       0.17045355       0.17045355 1.0 
     -0.15908998       0.15908998       0.15908998 1.0 
     -0.14772641       0.14772641       0.14772641 1.0 
     -0.13636284       0.13636284       0.13636284 1.0 
     -0.12499927       0.12499927       0.12499927 1.0 
     -0.11363570       0.11363570       0.11363570 1.0 
     -0.10227213       0.10227213       0.10227213 1.0 
     -0.09090856       0.09090856       0.09090856 1.0 
     -0.07954499       0.07954499       0.07954499 1.0 
     -0.06818142       0.06818142       0.06818142 1.0 
     -0.05681785       0.05681785       0.05681785 1.0 
     -0.04545428       0.04545428       0.04545428 1.0 
     -0.03409071       0.03409071       0.03409071 1.0 
     -0.02272714       0.02272714       0.02272714 1.0 
     -0.01136357       0.01136357       0.01136357 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 
      0.48863616       0.51136384      -0.48863616 1.0 
      0.47727233       0.52272767      -0.47727233 1.0 
      0.46590849       0.53409151      -0.46590849 1.0 
      0.45454466       0.54545534      -0.45454466 1.0 
      0.44318082       0.55681918      -0.44318082 1.0 
      0.43181699       0.56818301      -0.43181699 1.0 
      0.42045315       0.57954685      -0.42045315 1.0 
      0.40908932       0.59091068      -0.40908932 1.0 
      0.39772548       0.60227452      -0.39772548 1.0 
      0.38636165       0.61363835      -0.38636165 1.0 
      0.37499781       0.62500219      -0.37499781 1.0 
      0.37499781       0.62500219      -0.37499781 1.0 
      0.35526108       0.61842313      -0.35526108 1.0 
      0.33552436       0.61184406      -0.33552436 1.0 
      0.31578763       0.60526500      -0.31578763 1.0 
      0.29605090       0.59868594      -0.29605090 1.0 
      0.27631418       0.59210688      -0.27631418 1.0 
      0.25657745       0.58552781      -0.25657745 1.0 
      0.23684072       0.57894875      -0.23684072 1.0 
      0.21710400       0.57236969      -0.21710400 1.0 
      0.19736727       0.56579063      -0.19736727 1.0 
      0.17763054       0.55921156      -0.17763054 1.0 
      0.15789382       0.55263250      -0.15789382 1.0 
      0.13815709       0.54605344      -0.13815709 1.0 
      0.11842036       0.53947438      -0.11842036 1.0 
      0.09868363       0.53289531      -0.09868363 1.0 
      0.07894691       0.52631625      -0.07894691 1.0 
      0.05921018       0.51973719      -0.05921018 1.0 
      0.03947345       0.51315813      -0.03947345 1.0 
      0.01973673       0.50657906      -0.01973673 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
     -0.00000000       0.50000000       0.00000000 1.0 
      0.01136364       0.48863636       0.01136364 1.0 
      0.02272727       0.47727273       0.02272727 1.0 
      0.03409091       0.46590909       0.03409091 1.0 
      0.04545455       0.45454545       0.04545455 1.0 
      0.05681818       0.44318182       0.05681818 1.0 
      0.06818182       0.43181818       0.06818182 1.0 
      0.07954545       0.42045455       0.07954545 1.0 
      0.09090909       0.40909091       0.09090909 1.0 
      0.10227273       0.39772727       0.10227273 1.0 
      0.11363636       0.38636364       0.11363636 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.13636364       0.36363636       0.13636364 1.0 
      0.14772727       0.35227273       0.14772727 1.0 
      0.15909091       0.34090909       0.15909091 1.0 
      0.17045455       0.32954545       0.17045455 1.0 
      0.18181818       0.31818182       0.18181818 1.0 
      0.19318182       0.30681818       0.19318182 1.0 
      0.20454545       0.29545455       0.20454545 1.0 
      0.21590909       0.28409091       0.21590909 1.0 
      0.22727273       0.27272727       0.22727273 1.0 
      0.23863636       0.26136364       0.23863636 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.26136364       0.26136364       0.22727293 1.0 
      0.27272727       0.27272727       0.20454585 1.0 
      0.28409091       0.28409091       0.18181878 1.0 
      0.29545455       0.29545455       0.15909170 1.0 
      0.30681818       0.30681818       0.13636463 1.0 
      0.31818182       0.31818182       0.11363756 1.0 
      0.32954545       0.32954545       0.09091048 1.0 
      0.34090909       0.34090909       0.06818341 1.0 
      0.35227273       0.35227273       0.04545634 1.0 
      0.36363636       0.36363636       0.02272926 1.0 
      0.37500000       0.37500000       0.00000219 1.0 
      0.38636364       0.38636364      -0.02272489 1.0 
      0.39772727       0.39772727      -0.04545196 1.0 
      0.40909091       0.40909091      -0.06817903 1.0 
      0.42045455       0.42045455      -0.09090611 1.0 
      0.43181818       0.43181818      -0.11363318 1.0 
      0.44318182       0.44318182      -0.13636025 1.0 
      0.45454545       0.45454545      -0.15908733 1.0 
      0.46590909       0.46590909      -0.18181440 1.0 
      0.47727273       0.47727273      -0.20454148 1.0 
      0.48863636       0.48863636      -0.22726855 1.0 
      0.50000000       0.50000000      -0.24999562 1.0 
      0.50000000       0.50000000      -0.24999562 1.0 
      0.50000000       0.50000000      -0.26562090 1.0 
      0.50000000       0.50000000      -0.28124617 1.0 
      0.50000000       0.50000000      -0.29687144 1.0 
      0.50000000       0.50000000      -0.31249672 1.0 
      0.50000000       0.50000000      -0.32812199 1.0 
      0.50000000       0.50000000      -0.34374726 1.0 
      0.50000000       0.50000000      -0.35937254 1.0 
      0.50000000       0.50000000      -0.37499781 1.0 
      0.50000000       0.50000000      -0.39062309 1.0 
      0.50000000       0.50000000      -0.40624836 1.0 
      0.50000000       0.50000000      -0.42187363 1.0 
      0.50000000       0.50000000      -0.43749891 1.0 
      0.50000000       0.50000000      -0.45312418 1.0 
      0.50000000       0.50000000      -0.46874945 1.0 
      0.50000000       0.50000000      -0.48437473 1.0 
      0.50000000       0.50000000      -0.50000000 1.0 
     -0.00000000       0.00000000       0.50000000 1.0 
      0.01562500       0.01562500       0.48437500 1.0 
      0.03125000       0.03125000       0.46875000 1.0 
      0.04687500       0.04687500       0.45312500 1.0 
      0.06250000       0.06250000       0.43750000 1.0 
      0.07812500       0.07812500       0.42187500 1.0 
      0.09375000       0.09375000       0.40625000 1.0 
      0.10937500       0.10937500       0.39062500 1.0 
      0.12500000       0.12500000       0.37500000 1.0 
      0.14062500       0.14062500       0.35937500 1.0 
      0.15625000       0.15625000       0.34375000 1.0 
      0.17187500       0.17187500       0.32812500 1.0 
      0.18750000       0.18750000       0.31250000 1.0 
      0.20312500       0.20312500       0.29687500 1.0 
      0.21875000       0.21875000       0.28125000 1.0 
      0.23437500       0.23437500       0.26562500 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

