! Pwscf input file created with ciftopw.py 
! Compound: Ni2As2O7
&control
         calculation     = 'bands'
         prefix          = 'Ni2As2O7'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =           10.1334840107008688
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            0.8846210409522615
         celldm(4)       =            0.1391257142888835
         celldm(5)       =            0.1391257142888835
         celldm(6)       =           -0.2564912895984427
         nat             =       11
         ntyp            =        3
         ecutwfc         =       47.00000000
         ecutrho         =      324.00000000
         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
 O  15.9994 O.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
As  74.9216 As.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
323
      0.00000000       0.00000000       0.00000000 1.0 
      0.01020342       0.01020342       0.00125577 1.0 
      0.02040685       0.02040685       0.00251154 1.0 
      0.03061027       0.03061027       0.00376731 1.0 
      0.04081369       0.04081369       0.00502309 1.0 
      0.05101712       0.05101712       0.00627886 1.0 
      0.06122054       0.06122054       0.00753463 1.0 
      0.07142396       0.07142396       0.00879040 1.0 
      0.08162739       0.08162739       0.01004617 1.0 
      0.09183081       0.09183081       0.01130194 1.0 
      0.10203424       0.10203424       0.01255771 1.0 
      0.11223766       0.11223766       0.01381349 1.0 
      0.12244108       0.12244108       0.01506926 1.0 
      0.13264451       0.13264451       0.01632503 1.0 
      0.14284793       0.14284793       0.01758080 1.0 
      0.15305135       0.15305135       0.01883657 1.0 
      0.16325478       0.16325478       0.02009234 1.0 
      0.17345820       0.17345820       0.02134811 1.0 
      0.18366162       0.18366162       0.02260389 1.0 
      0.19386505       0.19386505       0.02385966 1.0 
      0.20406847       0.20406847       0.02511543 1.0 
      0.21427189       0.21427189       0.02637120 1.0 
      0.22447532       0.22447532       0.02762697 1.0 
      0.23467874       0.23467874       0.02888274 1.0 
      0.24488217       0.24488217       0.03013851 1.0 
      0.25508559       0.25508559       0.03139428 1.0 
      0.26528901       0.26528901       0.03265006 1.0 
      0.27549244       0.27549244       0.03390583 1.0 
      0.28569586       0.28569586       0.03516160 1.0 
      0.29589928       0.29589928       0.03641737 1.0 
      0.30610271       0.30610271       0.03767314 1.0 
      0.31630613       0.31630613       0.03892891 1.0 
      0.32650955       0.32650955       0.04018468 1.0 
      0.33671298       0.33671298       0.04144046 1.0 
      0.34691640       0.34691640       0.04269623 1.0 
      0.35711982       0.35711982       0.04395200 1.0 
      0.36732325       0.36732325       0.04520777 1.0 
      0.37752667       0.37752667       0.04646354 1.0 
      0.38773010       0.38773010       0.04771931 1.0 
      0.39793352       0.39793352       0.04897508 1.0 
      0.39793352       0.39793352       0.04897508 1.0 
      0.40024096       0.40024096       0.06364681 1.0 
      0.40254841       0.40254841       0.07831854 1.0 
      0.40485585       0.40485585       0.09299027 1.0 
      0.40716330       0.40716330       0.10766199 1.0 
      0.40947074       0.40947074       0.12233372 1.0 
      0.41177819       0.41177819       0.13700545 1.0 
      0.41408563       0.41408563       0.15167718 1.0 
      0.41639308       0.41639308       0.16634890 1.0 
      0.41870053       0.41870053       0.18102063 1.0 
      0.42100797       0.42100797       0.19569236 1.0 
      0.42331542       0.42331542       0.21036409 1.0 
      0.42562286       0.42562286       0.22503581 1.0 
      0.42793031       0.42793031       0.23970754 1.0 
      0.43023775       0.43023775       0.25437927 1.0 
      0.43254520       0.43254520       0.26905100 1.0 
      0.43485264       0.43485264       0.28372272 1.0 
      0.43716009       0.43716009       0.29839445 1.0 
      0.43946753       0.43946753       0.31306618 1.0 
      0.44177498       0.44177498       0.32773791 1.0 
      0.44408242       0.44408242       0.34240963 1.0 
      0.44638987       0.44638987       0.35708136 1.0 
      0.44869731       0.44869731       0.37175309 1.0 
      0.45100476       0.45100476       0.38642482 1.0 
      0.45331220       0.45331220       0.40109654 1.0 
      0.45561965       0.45561965       0.41576827 1.0 
      0.45792709       0.45792709       0.43044000 1.0 
      0.46023454       0.46023454       0.44511172 1.0 
      0.46254198       0.46254198       0.45978345 1.0 
      0.46484943       0.46484943       0.47445518 1.0 
      0.46715687       0.46715687       0.48912691 1.0 
      0.46715687       0.46715687       0.48912691 1.0 
      0.45946539       0.45946539       0.49577670 1.0 
      0.45177391       0.45177391       0.50242650 1.0 
      0.44408242       0.44408242       0.50907630 1.0 
      0.43639094       0.43639094       0.51572610 1.0 
      0.42869945       0.42869945       0.52237589 1.0 
      0.42100797       0.42100797       0.52902569 1.0 
      0.41331649       0.41331649       0.53567549 1.0 
      0.40562500       0.40562500       0.54232529 1.0 
      0.39793352       0.39793352       0.54897508 1.0 
      0.39024203       0.39024203       0.55562488 1.0 
      0.38255055       0.38255055       0.56227468 1.0 
      0.37485907       0.37485907       0.56892448 1.0 
      0.36716758       0.36716758       0.57557427 1.0 
      0.35947610       0.35947610       0.58222407 1.0 
      0.35178462       0.35178462       0.58887387 1.0 
      0.34409313       0.34409313       0.59552367 1.0 
      0.33640165       0.33640165       0.60217346 1.0 
      0.32871016       0.32871016       0.60882326 1.0 
      0.32871016       0.32871016       0.60882326 1.0 
      0.31843797       0.31843797       0.60542253 1.0 
      0.30816578       0.30816578       0.60202181 1.0 
      0.29789359       0.29789359       0.59862108 1.0 
      0.28762139       0.28762139       0.59522035 1.0 
      0.27734920       0.27734920       0.59181963 1.0 
      0.26707701       0.26707701       0.58841890 1.0 
      0.25680482       0.25680482       0.58501817 1.0 
      0.24653262       0.24653262       0.58161745 1.0 
      0.23626043       0.23626043       0.57821672 1.0 
      0.22598824       0.22598824       0.57481599 1.0 
      0.21571604       0.21571604       0.57141527 1.0 
      0.20544385       0.20544385       0.56801454 1.0 
      0.19517166       0.19517166       0.56461381 1.0 
      0.18489947       0.18489947       0.56121308 1.0 
      0.17462727       0.17462727       0.55781236 1.0 
      0.16435508       0.16435508       0.55441163 1.0 
      0.15408289       0.15408289       0.55101090 1.0 
      0.14381070       0.14381070       0.54761018 1.0 
      0.13353850       0.13353850       0.54420945 1.0 
      0.12326631       0.12326631       0.54080872 1.0 
      0.11299412       0.11299412       0.53740800 1.0 
      0.10272193       0.10272193       0.53400727 1.0 
      0.09244973       0.09244973       0.53060654 1.0 
      0.08217754       0.08217754       0.52720582 1.0 
      0.07190535       0.07190535       0.52380509 1.0 
      0.06163316       0.06163316       0.52040436 1.0 
      0.05136096       0.05136096       0.51700363 1.0 
      0.04108877       0.04108877       0.51360291 1.0 
      0.03081658       0.03081658       0.51020218 1.0 
      0.02054439       0.02054439       0.50680145 1.0 
      0.01027219       0.01027219       0.50340073 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.01351351      -0.01351351       0.50000000 1.0 
      0.02702703      -0.02702703       0.50000000 1.0 
      0.04054054      -0.04054054       0.50000000 1.0 
      0.05405405      -0.05405405       0.50000000 1.0 
      0.06756757      -0.06756757       0.50000000 1.0 
      0.08108108      -0.08108108       0.50000000 1.0 
      0.09459459      -0.09459459       0.50000000 1.0 
      0.10810811      -0.10810811       0.50000000 1.0 
      0.12162162      -0.12162162       0.50000000 1.0 
      0.13513514      -0.13513514       0.50000000 1.0 
      0.14864865      -0.14864865       0.50000000 1.0 
      0.16216216      -0.16216216       0.50000000 1.0 
      0.17567568      -0.17567568       0.50000000 1.0 
      0.18918919      -0.18918919       0.50000000 1.0 
      0.20270270      -0.20270270       0.50000000 1.0 
      0.21621622      -0.21621622       0.50000000 1.0 
      0.22972973      -0.22972973       0.50000000 1.0 
      0.24324324      -0.24324324       0.50000000 1.0 
      0.25675676      -0.25675676       0.50000000 1.0 
      0.27027027      -0.27027027       0.50000000 1.0 
      0.28378378      -0.28378378       0.50000000 1.0 
      0.29729730      -0.29729730       0.50000000 1.0 
      0.31081081      -0.31081081       0.50000000 1.0 
      0.32432432      -0.32432432       0.50000000 1.0 
      0.33783784      -0.33783784       0.50000000 1.0 
      0.35135135      -0.35135135       0.50000000 1.0 
      0.36486486      -0.36486486       0.50000000 1.0 
      0.37837838      -0.37837838       0.50000000 1.0 
      0.39189189      -0.39189189       0.50000000 1.0 
      0.40540541      -0.40540541       0.50000000 1.0 
      0.41891892      -0.41891892       0.50000000 1.0 
      0.43243243      -0.43243243       0.50000000 1.0 
      0.44594595      -0.44594595       0.50000000 1.0 
      0.45945946      -0.45945946       0.50000000 1.0 
      0.47297297      -0.47297297       0.50000000 1.0 
      0.48648649      -0.48648649       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50000000      -0.50000000       0.50000000 1.0 
      0.50821078      -0.49178922       0.50271827 1.0 
      0.51642156      -0.48357844       0.50543655 1.0 
      0.52463234      -0.47536766       0.50815482 1.0 
      0.53284313      -0.46715687       0.51087309 1.0 
      0.67128984      -0.32871016       0.39117674 1.0 
      0.66898239      -0.33101761       0.37650501 1.0 
      0.66667495      -0.33332505       0.36183328 1.0 
      0.66436750      -0.33563250       0.34716156 1.0 
      0.66206006      -0.33793994       0.33248983 1.0 
      0.65975261      -0.34024739       0.31781810 1.0 
      0.65744517      -0.34255483       0.30314637 1.0 
      0.65513772      -0.34486228       0.28847465 1.0 
      0.65283028      -0.34716972       0.27380292 1.0 
      0.65052283      -0.34947717       0.25913119 1.0 
      0.64821538      -0.35178462       0.24445946 1.0 
      0.64590794      -0.35409206       0.22978774 1.0 
      0.64360049      -0.35639951       0.21511601 1.0 
      0.64129305      -0.35870695       0.20044428 1.0 
      0.63898560      -0.36101440       0.18577255 1.0 
      0.63667816      -0.36332184       0.17110083 1.0 
      0.63437071      -0.36562929       0.15642910 1.0 
      0.63206327      -0.36793673       0.14175737 1.0 
      0.62975582      -0.37024418       0.12708564 1.0 
      0.62744838      -0.37255162       0.11241392 1.0 
      0.62514093      -0.37485907       0.09774219 1.0 
      0.62283349      -0.37716651       0.08307046 1.0 
      0.62052604      -0.37947396       0.06839873 1.0 
      0.61821860      -0.38178140       0.05372701 1.0 
      0.61591115      -0.38408885       0.03905528 1.0 
      0.61360371      -0.38639629       0.02438355 1.0 
      0.61129626      -0.38870374       0.00971183 1.0 
      0.60898882      -0.39101118      -0.00495990 1.0 
      0.60668137      -0.39331863      -0.01963163 1.0 
      0.60437393      -0.39562607      -0.03430336 1.0 
      0.60206648      -0.39793352      -0.04897508 1.0 
      0.60206648      -0.39793352      -0.04897508 1.0 
      0.59356094      -0.40643906      -0.04489383 1.0 
      0.58505540      -0.41494460      -0.04081257 1.0 
      0.57654986      -0.42345014      -0.03673131 1.0 
      0.56804432      -0.43195568      -0.03265006 1.0 
      0.55953878      -0.44046122      -0.02856880 1.0 
      0.55103324      -0.44896676      -0.02448754 1.0 
      0.54252770      -0.45747230      -0.02040629 1.0 
      0.53402216      -0.46597784      -0.01632503 1.0 
      0.52551662      -0.47448338      -0.01224377 1.0 
      0.51701108      -0.48298892      -0.00816251 1.0 
      0.50850554      -0.49149446      -0.00408126 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.50000000      -0.50000000       0.00000000 1.0 
      0.48648649      -0.48648649       0.00000000 1.0 
      0.47297297      -0.47297297       0.00000000 1.0 
      0.45945946      -0.45945946       0.00000000 1.0 
      0.44594595      -0.44594595       0.00000000 1.0 
      0.43243243      -0.43243243       0.00000000 1.0 
      0.41891892      -0.41891892       0.00000000 1.0 
      0.40540541      -0.40540541       0.00000000 1.0 
      0.39189189      -0.39189189       0.00000000 1.0 
      0.37837838      -0.37837838       0.00000000 1.0 
      0.36486486      -0.36486486       0.00000000 1.0 
      0.35135135      -0.35135135       0.00000000 1.0 
      0.33783784      -0.33783784       0.00000000 1.0 
      0.32432432      -0.32432432       0.00000000 1.0 
      0.31081081      -0.31081081       0.00000000 1.0 
      0.29729730      -0.29729730       0.00000000 1.0 
      0.28378378      -0.28378378       0.00000000 1.0 
      0.27027027      -0.27027027       0.00000000 1.0 
      0.25675676      -0.25675676       0.00000000 1.0 
      0.24324324      -0.24324324       0.00000000 1.0 
      0.22972973      -0.22972973       0.00000000 1.0 
      0.21621622      -0.21621622       0.00000000 1.0 
      0.20270270      -0.20270270       0.00000000 1.0 
      0.18918919      -0.18918919       0.00000000 1.0 
      0.17567568      -0.17567568       0.00000000 1.0 
      0.16216216      -0.16216216       0.00000000 1.0 
      0.14864865      -0.14864865       0.00000000 1.0 
      0.13513514      -0.13513514       0.00000000 1.0 
      0.12162162      -0.12162162       0.00000000 1.0 
      0.10810811      -0.10810811       0.00000000 1.0 
      0.09459459      -0.09459459       0.00000000 1.0 
      0.08108108      -0.08108108       0.00000000 1.0 
      0.06756757      -0.06756757       0.00000000 1.0 
      0.05405405      -0.05405405       0.00000000 1.0 
      0.04054054      -0.04054054       0.00000000 1.0 
      0.02702703      -0.02702703       0.00000000 1.0 
      0.01351351      -0.01351351       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.01612903       0.00000000       0.00000000 1.0 
      0.03225806       0.00000000       0.00000000 1.0 
      0.04838710      -0.00000000       0.00000000 1.0 
      0.06451613       0.00000000       0.00000000 1.0 
      0.08064516       0.00000000       0.00000000 1.0 
      0.09677419      -0.00000000       0.00000000 1.0 
      0.11290323      -0.00000000       0.00000000 1.0 
      0.12903226       0.00000000       0.00000000 1.0 
      0.14516129       0.00000000       0.00000000 1.0 
      0.16129032       0.00000000       0.00000000 1.0 
      0.17741935       0.00000000       0.00000000 1.0 
      0.19354839      -0.00000000       0.00000000 1.0 
      0.20967742       0.00000000       0.00000000 1.0 
      0.22580645      -0.00000000       0.00000000 1.0 
      0.24193548       0.00000000       0.00000000 1.0 
      0.25806452       0.00000000       0.00000000 1.0 
      0.27419355       0.00000000       0.00000000 1.0 
      0.29032258       0.00000000       0.00000000 1.0 
      0.30645161       0.00000000       0.00000000 1.0 
      0.32258065       0.00000000       0.00000000 1.0 
      0.33870968       0.00000000       0.00000000 1.0 
      0.35483871       0.00000000       0.00000000 1.0 
      0.37096774       0.00000000       0.00000000 1.0 
      0.38709677      -0.00000000       0.00000000 1.0 
      0.40322581       0.00000000       0.00000000 1.0 
      0.41935484       0.00000000       0.00000000 1.0 
      0.43548387       0.00000000       0.00000000 1.0 
      0.45161290      -0.00000000       0.00000000 1.0 
      0.46774194      -0.00000000       0.00000000 1.0 
      0.48387097       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.00000000 1.0 
      0.50000000       0.00000000       0.50000000 1.0 
      0.48809524       0.00000000       0.48809524 1.0 
      0.47619048       0.00000000       0.47619048 1.0 
      0.46428571       0.00000000       0.46428571 1.0 
      0.45238095       0.00000000       0.45238095 1.0 
      0.44047619       0.00000000       0.44047619 1.0 
      0.42857143       0.00000000       0.42857143 1.0 
      0.41666667       0.00000000       0.41666667 1.0 
      0.40476190       0.00000000       0.40476190 1.0 
      0.39285714       0.00000000       0.39285714 1.0 
      0.38095238       0.00000000       0.38095238 1.0 
      0.36904762       0.00000000       0.36904762 1.0 
      0.35714286       0.00000000       0.35714286 1.0 
      0.34523810      -0.00000000       0.34523810 1.0 
      0.33333333       0.00000000       0.33333333 1.0 
      0.32142857      -0.00000000       0.32142857 1.0 
      0.30952381       0.00000000       0.30952381 1.0 
      0.29761905       0.00000000       0.29761905 1.0 
      0.28571429       0.00000000       0.28571429 1.0 
      0.27380952       0.00000000       0.27380952 1.0 
      0.26190476       0.00000000       0.26190476 1.0 
      0.25000000       0.00000000       0.25000000 1.0 
      0.23809524       0.00000000       0.23809524 1.0 
      0.22619048       0.00000000       0.22619048 1.0 
      0.21428571       0.00000000       0.21428571 1.0 
      0.20238095       0.00000000       0.20238095 1.0 
      0.19047619       0.00000000       0.19047619 1.0 
      0.17857143       0.00000000       0.17857143 1.0 
      0.16666667       0.00000000       0.16666667 1.0 
      0.15476190       0.00000000       0.15476190 1.0 
      0.14285714       0.00000000       0.14285714 1.0 
      0.13095238       0.00000000       0.13095238 1.0 
      0.11904762      -0.00000000       0.11904762 1.0 
      0.10714286       0.00000000       0.10714286 1.0 
      0.09523810       0.00000000       0.09523810 1.0 
      0.08333333      -0.00000000       0.08333333 1.0 
      0.07142857       0.00000000       0.07142857 1.0 
      0.05952381       0.00000000       0.05952381 1.0 
      0.04761905       0.00000000       0.04761905 1.0 
      0.03571429       0.00000000       0.03571429 1.0 
      0.02380952       0.00000000       0.02380952 1.0 
      0.01190476      -0.00000000       0.01190476 1.0 
      0.00000000       0.00000000       0.00000000 1.0 

