! Pwscf input file created with ciftopw.py 
! Compound: TaCuN2
&control
         calculation     = 'bands'
         prefix          = 'TaCuN2'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           11.5048869652159045
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =            0.8673353938991902
         celldm(5)       =            0.8673353938991902
         celldm(6)       =            0.8673353938991902
         nat             =        4
         ntyp            =        3
         ecutwfc         =       46.00000000
         ecutrho         =      321.00000000
         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
Ta 180.9479 Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF 
Cu  63.5460 Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF 
 N  14.0067 N.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
383
      0.00000000       0.00000000       0.00000000 1.0 
      0.00847458       0.00000000      -0.00000000 1.0 
      0.01694915       0.00000000      -0.00000000 1.0 
      0.02542373       0.00000000      -0.00000000 1.0 
      0.03389831       0.00000000      -0.00000000 1.0 
      0.04237288       0.00000000       0.00000000 1.0 
      0.05084746       0.00000000      -0.00000000 1.0 
      0.05932203       0.00000000       0.00000000 1.0 
      0.06779661       0.00000000      -0.00000000 1.0 
      0.07627119       0.00000000       0.00000000 1.0 
      0.08474576       0.00000000       0.00000000 1.0 
      0.09322034       0.00000000       0.00000000 1.0 
      0.10169492       0.00000000      -0.00000000 1.0 
      0.11016949       0.00000000       0.00000000 1.0 
      0.11864407       0.00000000       0.00000000 1.0 
      0.12711864       0.00000000      -0.00000000 1.0 
      0.13559322       0.00000000      -0.00000000 1.0 
      0.14406780       0.00000000      -0.00000000 1.0 
      0.15254237       0.00000000       0.00000000 1.0 
      0.16101695       0.00000000       0.00000000 1.0 
      0.16949153       0.00000000       0.00000000 1.0 
      0.17796610       0.00000000      -0.00000000 1.0 
      0.18644068       0.00000000       0.00000000 1.0 
      0.19491525       0.00000000      -0.00000000 1.0 
      0.20338983       0.00000000      -0.00000000 1.0 
      0.21186441      -0.00000000      -0.00000000 1.0 
      0.22033898       0.00000000       0.00000000 1.0 
      0.22881356       0.00000000       0.00000000 1.0 
      0.23728814       0.00000000       0.00000000 1.0 
      0.24576271      -0.00000000      -0.00000000 1.0 
      0.25423729       0.00000000      -0.00000000 1.0 
      0.26271186      -0.00000000      -0.00000000 1.0 
      0.27118644       0.00000000      -0.00000000 1.0 
      0.27966102       0.00000000       0.00000000 1.0 
      0.28813559       0.00000000      -0.00000000 1.0 
      0.29661017       0.00000000       0.00000000 1.0 
      0.30508475       0.00000000       0.00000000 1.0 
      0.31355932       0.00000000       0.00000000 1.0 
      0.32203390       0.00000000       0.00000000 1.0 
      0.33050847      -0.00000000      -0.00000000 1.0 
      0.33898305       0.00000000       0.00000000 1.0 
      0.34745763       0.00000000       0.00000000 1.0 
      0.35593220       0.00000000      -0.00000000 1.0 
      0.36440678       0.00000000       0.00000000 1.0 
      0.37288136       0.00000000       0.00000000 1.0 
      0.38135593       0.00000000       0.00000000 1.0 
      0.38983051       0.00000000      -0.00000000 1.0 
      0.39830508      -0.00000000       0.00000000 1.0 
      0.40677966       0.00000000      -0.00000000 1.0 
      0.41525424       0.00000000       0.00000000 1.0 
      0.42372881      -0.00000000      -0.00000000 1.0 
      0.43220339       0.00000000       0.00000000 1.0 
      0.44067797       0.00000000       0.00000000 1.0 
      0.44915254       0.00000000      -0.00000000 1.0 
      0.45762712       0.00000000       0.00000000 1.0 
      0.46610169      -0.00000000      -0.00000000 1.0 
      0.47457627       0.00000000       0.00000000 1.0 
      0.48305085       0.00000000       0.00000000 1.0 
      0.49152542      -0.00000000      -0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00494155      -0.00494155 1.0 
      0.50000000       0.00988310      -0.00988310 1.0 
      0.50000000       0.01482465      -0.01482465 1.0 
      0.50000000       0.01976620      -0.01976620 1.0 
      0.50000000       0.02470775      -0.02470775 1.0 
      0.50000000       0.02964930      -0.02964930 1.0 
      0.50000000       0.03459085      -0.03459085 1.0 
      0.50000000       0.03953240      -0.03953240 1.0 
      0.50000000       0.04447395      -0.04447395 1.0 
      0.50000000       0.04941550      -0.04941550 1.0 
      0.50000000       0.05435705      -0.05435705 1.0 
      0.50000000       0.05929860      -0.05929860 1.0 
      0.50000000       0.06424016      -0.06424016 1.0 
      0.50000000       0.06918171      -0.06918171 1.0 
      0.50000000       0.07412326      -0.07412326 1.0 
      0.50000000       0.07906481      -0.07906481 1.0 
      0.50000000       0.08400636      -0.08400636 1.0 
      0.50000000       0.08894791      -0.08894791 1.0 
      0.50000000       0.09388946      -0.09388946 1.0 
      0.50000000       0.09883101      -0.09883101 1.0 
      0.50000000       0.10377256      -0.10377256 1.0 
      0.50000000       0.10871411      -0.10871411 1.0 
      0.50000000       0.11365566      -0.11365566 1.0 
      0.50000000       0.11859721      -0.11859721 1.0 
      0.50000000       0.12353876      -0.12353876 1.0 
      0.50000000       0.12848031      -0.12848031 1.0 
      0.50000000       0.13342186      -0.13342186 1.0 
      0.50000000       0.13836341      -0.13836341 1.0 
      0.50000000       0.14330496      -0.14330496 1.0 
      0.50000000       0.14824651      -0.14824651 1.0 
      0.50000000       0.15318806      -0.15318806 1.0 
      0.50000000       0.15812961      -0.15812961 1.0 
      0.50000000       0.16307116      -0.16307116 1.0 
      0.50000000       0.16801271      -0.16801271 1.0 
      0.50000000       0.17295426      -0.17295426 1.0 
      0.50000000       0.17789581      -0.17789581 1.0 
      0.50000000       0.18283736      -0.18283736 1.0 
      0.81716264       0.50000000       0.18283736 1.0 
      0.81220697       0.50000000       0.18779303 1.0 
      0.80725130       0.50000000       0.19274870 1.0 
      0.80229564       0.50000000       0.19770436 1.0 
      0.79733997       0.50000000       0.20266003 1.0 
      0.79238430       0.50000000       0.20761570 1.0 
      0.78742864       0.50000000       0.21257136 1.0 
      0.78247297       0.50000000       0.21752703 1.0 
      0.77751731       0.50000000       0.22248269 1.0 
      0.77256164       0.50000000       0.22743836 1.0 
      0.76760597       0.50000000       0.23239403 1.0 
      0.76265031       0.50000000       0.23734969 1.0 
      0.75769464       0.50000000       0.24230536 1.0 
      0.75273898       0.50000000       0.24726102 1.0 
      0.74778331       0.50000000       0.25221669 1.0 
      0.74282764       0.50000000       0.25717236 1.0 
      0.73787198       0.50000000       0.26212802 1.0 
      0.73291631       0.50000000       0.26708369 1.0 
      0.72796064       0.50000000       0.27203936 1.0 
      0.72300498       0.50000000       0.27699502 1.0 
      0.71804931       0.50000000       0.28195069 1.0 
      0.71309365       0.50000000       0.28690635 1.0 
      0.70813798       0.50000000       0.29186202 1.0 
      0.70318231       0.50000000       0.29681769 1.0 
      0.69822665       0.50000000       0.30177335 1.0 
      0.69327098       0.50000000       0.30672902 1.0 
      0.68831531       0.50000000       0.31168469 1.0 
      0.68335965       0.50000000       0.31664035 1.0 
      0.67840398       0.50000000       0.32159602 1.0 
      0.67344832       0.50000000       0.32655168 1.0 
      0.66849265       0.50000000       0.33150735 1.0 
      0.66353698       0.50000000       0.33646302 1.0 
      0.65858132       0.50000000       0.34141868 1.0 
      0.65362565       0.50000000       0.34637435 1.0 
      0.64866999       0.50000000       0.35133001 1.0 
      0.64371432       0.50000000       0.35628568 1.0 
      0.63875865       0.50000000       0.36124135 1.0 
      0.63380299       0.50000000       0.36619701 1.0 
      0.62884732       0.50000000       0.37115268 1.0 
      0.62389165       0.50000000       0.37610835 1.0 
      0.61893599       0.50000000       0.38106401 1.0 
      0.61398032       0.50000000       0.38601968 1.0 
      0.60902466       0.50000000       0.39097534 1.0 
      0.60406899       0.50000000       0.39593101 1.0 
      0.59911332       0.50000000       0.40088668 1.0 
      0.59415766       0.50000000       0.40584234 1.0 
      0.58920199       0.50000000       0.41079801 1.0 
      0.58424633       0.50000000       0.41575367 1.0 
      0.57929066       0.50000000       0.42070934 1.0 
      0.57433499       0.50000000       0.42566501 1.0 
      0.56937933       0.50000000       0.43062067 1.0 
      0.56442366       0.50000000       0.43557634 1.0 
      0.55946799       0.50000000       0.44053201 1.0 
      0.55451233       0.50000000       0.44548767 1.0 
      0.54955666       0.50000000       0.45044334 1.0 
      0.54460100       0.50000000       0.45539900 1.0 
      0.53964533       0.50000000       0.46035467 1.0 
      0.53468966       0.50000000       0.46531034 1.0 
      0.52973400       0.50000000       0.47026600 1.0 
      0.52477833       0.50000000       0.47522167 1.0 
      0.51982266       0.50000000       0.48017734 1.0 
      0.51486700       0.50000000       0.48513300 1.0 
      0.50991133       0.50000000       0.49008867 1.0 
      0.50495567       0.50000000       0.49504433 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.48214286       0.48214286       0.48214286 1.0 
      0.46428571       0.46428571       0.46428571 1.0 
      0.44642857       0.44642857       0.44642857 1.0 
      0.42857143       0.42857143       0.42857143 1.0 
      0.41071429       0.41071429       0.41071429 1.0 
      0.39285714       0.39285714       0.39285714 1.0 
      0.37500000       0.37500000       0.37500000 1.0 
      0.35714286       0.35714286       0.35714286 1.0 
      0.33928571       0.33928571       0.33928571 1.0 
      0.32142857       0.32142857       0.32142857 1.0 
      0.30357143       0.30357143       0.30357143 1.0 
      0.28571429       0.28571429       0.28571429 1.0 
      0.26785714       0.26785714       0.26785714 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
      0.23214286       0.23214286       0.23214286 1.0 
      0.21428571       0.21428571       0.21428571 1.0 
      0.19642857       0.19642857       0.19642857 1.0 
      0.17857143       0.17857143       0.17857143 1.0 
      0.16071429       0.16071429       0.16071429 1.0 
      0.14285714       0.14285714       0.14285714 1.0 
      0.12500000       0.12500000       0.12500000 1.0 
      0.10714286       0.10714286       0.10714286 1.0 
      0.08928571       0.08928571       0.08928571 1.0 
      0.07142857       0.07142857       0.07142857 1.0 
      0.05357143       0.05357143       0.05357143 1.0 
      0.03571429       0.03571429       0.03571429 1.0 
      0.01785714       0.01785714       0.01785714 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00494810      -0.00000000      -0.00494810 1.0 
      0.00989619      -0.00000000      -0.00989619 1.0 
      0.01484429      -0.00000000      -0.01484429 1.0 
      0.01979239      -0.00000000      -0.01979239 1.0 
      0.02474048      -0.00000000      -0.02474048 1.0 
      0.02968858      -0.00000000      -0.02968858 1.0 
      0.03463668      -0.00000000      -0.03463668 1.0 
      0.03958477      -0.00000000      -0.03958477 1.0 
      0.04453287       0.00000000      -0.04453287 1.0 
      0.04948097      -0.00000000      -0.04948097 1.0 
      0.05442907      -0.00000000      -0.05442907 1.0 
      0.05937716      -0.00000000      -0.05937716 1.0 
      0.06432526       0.00000000      -0.06432526 1.0 
      0.06927336      -0.00000000      -0.06927336 1.0 
      0.07422145      -0.00000000      -0.07422145 1.0 
      0.07916955      -0.00000000      -0.07916955 1.0 
      0.08411765       0.00000000      -0.08411765 1.0 
      0.08906574       0.00000000      -0.08906574 1.0 
      0.09401384      -0.00000000      -0.09401384 1.0 
      0.09896194      -0.00000000      -0.09896194 1.0 
      0.10391003      -0.00000000      -0.10391003 1.0 
      0.10885813      -0.00000000      -0.10885813 1.0 
      0.11380623      -0.00000000      -0.11380623 1.0 
      0.11875432      -0.00000000      -0.11875432 1.0 
      0.12370242      -0.00000000      -0.12370242 1.0 
      0.12865052       0.00000000      -0.12865052 1.0 
      0.13359861      -0.00000000      -0.13359861 1.0 
      0.13854671      -0.00000000      -0.13854671 1.0 
      0.14349481      -0.00000000      -0.14349481 1.0 
      0.14844291      -0.00000000      -0.14844291 1.0 
      0.15339100      -0.00000000      -0.15339100 1.0 
      0.15833910      -0.00000000      -0.15833910 1.0 
      0.16328720      -0.00000000      -0.16328720 1.0 
      0.16823529       0.00000000      -0.16823529 1.0 
      0.17318339      -0.00000000      -0.17318339 1.0 
      0.17813149       0.00000000      -0.17813149 1.0 
      0.18307958      -0.00000000      -0.18307958 1.0 
      0.18802768      -0.00000000      -0.18802768 1.0 
      0.19297578      -0.00000000      -0.19297578 1.0 
      0.19792387      -0.00000000      -0.19792387 1.0 
      0.20287197      -0.00000000      -0.20287197 1.0 
      0.20782007      -0.00000000      -0.20782007 1.0 
      0.21276816      -0.00000000      -0.21276816 1.0 
      0.21771626      -0.00000000      -0.21771626 1.0 
      0.22266436      -0.00000000      -0.22266436 1.0 
      0.22761245      -0.00000000      -0.22761245 1.0 
      0.23256055      -0.00000000      -0.23256055 1.0 
      0.23750865      -0.00000000      -0.23750865 1.0 
      0.24245675      -0.00000000      -0.24245675 1.0 
      0.24740484      -0.00000000      -0.24740484 1.0 
      0.25235294      -0.00000000      -0.25235294 1.0 
      0.25730104       0.00000000      -0.25730104 1.0 
      0.26224913      -0.00000000      -0.26224913 1.0 
      0.26719723      -0.00000000      -0.26719723 1.0 
      0.27214533      -0.00000000      -0.27214533 1.0 
      0.27709342      -0.00000000      -0.27709342 1.0 
      0.28204152       0.00000000      -0.28204152 1.0 
      0.28698962      -0.00000000      -0.28698962 1.0 
      0.29193771       0.00000000      -0.29193771 1.0 
      0.29688581      -0.00000000      -0.29688581 1.0 
      0.30183391      -0.00000000      -0.30183391 1.0 
      0.30678200      -0.00000000      -0.30678200 1.0 
      0.31173010      -0.00000000      -0.31173010 1.0 
      0.31667820      -0.00000000      -0.31667820 1.0 
      0.32162629      -0.00000000      -0.32162629 1.0 
      0.32657439      -0.00000000      -0.32657439 1.0 
      0.33152249      -0.00000000      -0.33152249 1.0 
      0.33647059       0.00000000      -0.33647059 1.0 
      0.34141868      -0.00000000      -0.34141868 1.0 
      0.65858132       0.34141868      -0.00000000 1.0 
      0.65362565       0.34637435      -0.00000000 1.0 
      0.64866999       0.35133001      -0.00000000 1.0 
      0.64371432       0.35628568      -0.00000000 1.0 
      0.63875865       0.36124135      -0.00000000 1.0 
      0.63380299       0.36619701      -0.00000000 1.0 
      0.62884732       0.37115268      -0.00000000 1.0 
      0.62389165       0.37610835      -0.00000000 1.0 
      0.61893599       0.38106401      -0.00000000 1.0 
      0.61398032       0.38601968      -0.00000000 1.0 
      0.60902466       0.39097534      -0.00000000 1.0 
      0.60406899       0.39593101      -0.00000000 1.0 
      0.59911332       0.40088668      -0.00000000 1.0 
      0.59415766       0.40584234      -0.00000000 1.0 
      0.58920199       0.41079801      -0.00000000 1.0 
      0.58424633       0.41575367      -0.00000000 1.0 
      0.57929066       0.42070934      -0.00000000 1.0 
      0.57433499       0.42566501      -0.00000000 1.0 
      0.56937933       0.43062067      -0.00000000 1.0 
      0.56442366       0.43557634      -0.00000000 1.0 
      0.55946799       0.44053201      -0.00000000 1.0 
      0.55451233       0.44548767      -0.00000000 1.0 
      0.54955666       0.45044334      -0.00000000 1.0 
      0.54460100       0.45539900      -0.00000000 1.0 
      0.53964533       0.46035467      -0.00000000 1.0 
      0.53468966       0.46531034      -0.00000000 1.0 
      0.52973400       0.47026600      -0.00000000 1.0 
      0.52477833       0.47522167      -0.00000000 1.0 
      0.51982266       0.48017734      -0.00000000 1.0 
      0.51486700       0.48513300      -0.00000000 1.0 
      0.50991133       0.49008867      -0.00000000 1.0 
      0.50495567       0.49504433      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.50000000       0.50000000      -0.00000000 1.0 
      0.51585813       0.51585813       0.01828374 1.0 
      0.53171626       0.53171626       0.03656747 1.0 
      0.54757440       0.54757440       0.05485121 1.0 
      0.56343253       0.56343253       0.07313495 1.0 
      0.57929066       0.57929066       0.09141868 1.0 
      0.59514879       0.59514879       0.10970242 1.0 
      0.61100692       0.61100692       0.12798616 1.0 
      0.62686505       0.62686505       0.14626989 1.0 
      0.64272319       0.64272319       0.16455363 1.0 
      0.65858132       0.65858132       0.18283736 1.0 
      0.65858132       0.65858132       0.18283736 1.0 
      0.65574951       0.65574951       0.18850098 1.0 
      0.65291770       0.65291770       0.19416460 1.0 
      0.65008589       0.65008589       0.19982822 1.0 
      0.64725408       0.64725408       0.20549184 1.0 
      0.64442227       0.64442227       0.21115546 1.0 
      0.64159046       0.64159046       0.21681908 1.0 
      0.63875865       0.63875865       0.22248269 1.0 
      0.63592684       0.63592684       0.22814631 1.0 
      0.63309503       0.63309503       0.23380993 1.0 
      0.63026323       0.63026323       0.23947355 1.0 
      0.62743142       0.62743142       0.24513717 1.0 
      0.62459961       0.62459961       0.25080079 1.0 
      0.62176780       0.62176780       0.25646440 1.0 
      0.61893599       0.61893599       0.26212802 1.0 
      0.61610418       0.61610418       0.26779164 1.0 
      0.61327237       0.61327237       0.27345526 1.0 
      0.61044056       0.61044056       0.27911888 1.0 
      0.60760875       0.60760875       0.28478250 1.0 
      0.60477694       0.60477694       0.29044612 1.0 
      0.60194513       0.60194513       0.29610973 1.0 
      0.59911332       0.59911332       0.30177335 1.0 
      0.59628151       0.59628151       0.30743697 1.0 
      0.59344971       0.59344971       0.31310059 1.0 
      0.59061790       0.59061790       0.31876421 1.0 
      0.58778609       0.58778609       0.32442783 1.0 
      0.58495428       0.58495428       0.33009145 1.0 
      0.58212247       0.58212247       0.33575506 1.0 
      0.57929066       0.57929066       0.34141868 1.0 
      0.57645885       0.57645885       0.34708230 1.0 
      0.57362704       0.57362704       0.35274592 1.0 
      0.57079523       0.57079523       0.35840954 1.0 
      0.56796342       0.56796342       0.36407316 1.0 
      0.56513161       0.56513161       0.36973677 1.0 
      0.56229980       0.56229980       0.37540039 1.0 
      0.55946799       0.55946799       0.38106401 1.0 
      0.55663618       0.55663618       0.38672763 1.0 
      0.55380438       0.55380438       0.39239125 1.0 
      0.55097257       0.55097257       0.39805487 1.0 
      0.54814076       0.54814076       0.40371849 1.0 
      0.54530895       0.54530895       0.40938210 1.0 
      0.54247714       0.54247714       0.41504572 1.0 
      0.53964533       0.53964533       0.42070934 1.0 
      0.53681352       0.53681352       0.42637296 1.0 
      0.53398171       0.53398171       0.43203658 1.0 
      0.53114990       0.53114990       0.43770020 1.0 
      0.52831809       0.52831809       0.44336382 1.0 
      0.52548628       0.52548628       0.44902743 1.0 
      0.52265447       0.52265447       0.45469105 1.0 
      0.51982266       0.51982266       0.46035467 1.0 
      0.51699086       0.51699086       0.46601829 1.0 
      0.51415905       0.51415905       0.47168191 1.0 
      0.51132724       0.51132724       0.47734553 1.0 
      0.50849543       0.50849543       0.48300914 1.0 
      0.50566362       0.50566362       0.48867276 1.0 
      0.50283181       0.50283181       0.49433638 1.0 
      0.50000000       0.50000000       0.50000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.51669277       0.01796940       0.01796940 1.0 
      0.53338554       0.03593881       0.03593881 1.0 
      0.55007831       0.05390821       0.05390821 1.0 
      0.56677108       0.07187762       0.07187762 1.0 
      0.58346385       0.08984702       0.08984702 1.0 
      0.60015662       0.10781643       0.10781643 1.0 
      0.61684939       0.12578583       0.12578583 1.0 
      0.63354216       0.14375523       0.14375523 1.0 
      0.65023493       0.16172464       0.16172464 1.0 
      0.66692770       0.17969404       0.17969404 1.0 
      0.68362047       0.19766345       0.19766345 1.0 
      0.70031324       0.21563285       0.21563285 1.0 
      0.71700601       0.23360226       0.23360226 1.0 
      0.73369878       0.25157166       0.25157166 1.0 
      0.75039155       0.26954106       0.26954106 1.0 
      0.76708432       0.28751047       0.28751047 1.0 
      0.78377709       0.30547987       0.30547987 1.0 
      0.80046987       0.32344928       0.32344928 1.0 
      0.81716264       0.34141868       0.34141868 1.0 

