! Pwscf input file created with ciftopw.py 
! Compound: Ni2B
&control
         calculation     = 'bands'
         prefix          = 'Ni2B'
         restart_mode    = 'from_scratch'
         outdir          = './'
         wf_collect      = .true.
         verbosity       = 'high'
       /
&system
         ibrav           =  14
         celldm(1)       =            7.7833527764920287
         celldm(2)       =            1.0000000000000000
         celldm(3)       =            1.0000000000000000
         celldm(4)       =           -0.2658084434436561
         celldm(5)       =           -0.2658084434436561
         celldm(6)       =           -0.4683831131126875
         nat             =        6
         ntyp            =        2
         ecutwfc         =       43.00000000
         ecutrho         =      325.00000000
         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
Ni  58.6934 Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
 B  10.8110 B.rel-pbe-n-rrkjus_psl.1.0.0.UPF 
ATOMIC_POSITIONS crystal
K_POINTS crystal
400
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.01111111 1.0 
      0.00000000       0.00000000       0.02222222 1.0 
      0.00000000       0.00000000       0.03333333 1.0 
      0.00000000       0.00000000       0.04444444 1.0 
      0.00000000       0.00000000       0.05555556 1.0 
      0.00000000       0.00000000       0.06666667 1.0 
      0.00000000       0.00000000       0.07777778 1.0 
      0.00000000       0.00000000       0.08888889 1.0 
      0.00000000       0.00000000       0.10000000 1.0 
      0.00000000       0.00000000       0.11111111 1.0 
      0.00000000       0.00000000       0.12222222 1.0 
      0.00000000       0.00000000       0.13333333 1.0 
      0.00000000       0.00000000       0.14444444 1.0 
      0.00000000       0.00000000       0.15555556 1.0 
      0.00000000       0.00000000       0.16666667 1.0 
      0.00000000       0.00000000       0.17777778 1.0 
      0.00000000       0.00000000       0.18888889 1.0 
      0.00000000       0.00000000       0.20000000 1.0 
      0.00000000       0.00000000       0.21111111 1.0 
      0.00000000       0.00000000       0.22222222 1.0 
      0.00000000       0.00000000       0.23333333 1.0 
      0.00000000       0.00000000       0.24444444 1.0 
      0.00000000       0.00000000       0.25555556 1.0 
      0.00000000       0.00000000       0.26666667 1.0 
      0.00000000       0.00000000       0.27777778 1.0 
      0.00000000       0.00000000       0.28888889 1.0 
      0.00000000       0.00000000       0.30000000 1.0 
      0.00000000       0.00000000       0.31111111 1.0 
      0.00000000       0.00000000       0.32222222 1.0 
      0.00000000       0.00000000       0.33333333 1.0 
      0.00000000       0.00000000       0.34444444 1.0 
      0.00000000       0.00000000       0.35555556 1.0 
      0.00000000       0.00000000       0.36666667 1.0 
      0.00000000       0.00000000       0.37777778 1.0 
      0.00000000       0.00000000       0.38888889 1.0 
      0.00000000       0.00000000       0.40000000 1.0 
      0.00000000       0.00000000       0.41111111 1.0 
      0.00000000       0.00000000       0.42222222 1.0 
      0.00000000       0.00000000       0.43333333 1.0 
      0.00000000       0.00000000       0.44444444 1.0 
      0.00000000       0.00000000       0.45555556 1.0 
      0.00000000       0.00000000       0.46666667 1.0 
      0.00000000       0.00000000       0.47777778 1.0 
      0.00000000       0.00000000       0.48888889 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
      0.00000000       0.00000000       0.50000000 1.0 
     -0.01111111       0.01111111       0.50000000 1.0 
     -0.02222222       0.02222222       0.50000000 1.0 
     -0.03333333       0.03333333       0.50000000 1.0 
     -0.04444444       0.04444444       0.50000000 1.0 
     -0.05555556       0.05555556       0.50000000 1.0 
     -0.06666667       0.06666667       0.50000000 1.0 
     -0.07777778       0.07777778       0.50000000 1.0 
     -0.08888889       0.08888889       0.50000000 1.0 
     -0.10000000       0.10000000       0.50000000 1.0 
     -0.11111111       0.11111111       0.50000000 1.0 
     -0.12222222       0.12222222       0.50000000 1.0 
     -0.13333333       0.13333333       0.50000000 1.0 
     -0.14444444       0.14444444       0.50000000 1.0 
     -0.15555556       0.15555556       0.50000000 1.0 
     -0.16666667       0.16666667       0.50000000 1.0 
     -0.17777778       0.17777778       0.50000000 1.0 
     -0.18888889       0.18888889       0.50000000 1.0 
     -0.20000000       0.20000000       0.50000000 1.0 
     -0.21111111       0.21111111       0.50000000 1.0 
     -0.22222222       0.22222222       0.50000000 1.0 
     -0.23333333       0.23333333       0.50000000 1.0 
     -0.24444444       0.24444444       0.50000000 1.0 
     -0.25555556       0.25555556       0.50000000 1.0 
     -0.26666667       0.26666667       0.50000000 1.0 
     -0.27777778       0.27777778       0.50000000 1.0 
     -0.28888889       0.28888889       0.50000000 1.0 
     -0.30000000       0.30000000       0.50000000 1.0 
     -0.31111111       0.31111111       0.50000000 1.0 
     -0.32222222       0.32222222       0.50000000 1.0 
     -0.33333333       0.33333333       0.50000000 1.0 
     -0.34444444       0.34444444       0.50000000 1.0 
     -0.35555556       0.35555556       0.50000000 1.0 
     -0.36666667       0.36666667       0.50000000 1.0 
     -0.37777778       0.37777778       0.50000000 1.0 
     -0.38888889       0.38888889       0.50000000 1.0 
     -0.40000000       0.40000000       0.50000000 1.0 
     -0.41111111       0.41111111       0.50000000 1.0 
     -0.42222222       0.42222222       0.50000000 1.0 
     -0.43333333       0.43333333       0.50000000 1.0 
     -0.44444444       0.44444444       0.50000000 1.0 
     -0.45555556       0.45555556       0.50000000 1.0 
     -0.46666667       0.46666667       0.50000000 1.0 
     -0.47777778       0.47777778       0.50000000 1.0 
     -0.48888889       0.48888889       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.50000000       0.50000000       0.50000000 1.0 
     -0.49206349       0.49206349       0.49206349 1.0 
     -0.48412698       0.48412698       0.48412698 1.0 
     -0.47619048       0.47619048       0.47619048 1.0 
     -0.46825397       0.46825397       0.46825397 1.0 
     -0.46031746       0.46031746       0.46031746 1.0 
     -0.45238095       0.45238095       0.45238095 1.0 
     -0.44444444       0.44444444       0.44444444 1.0 
     -0.43650794       0.43650794       0.43650794 1.0 
     -0.42857143       0.42857143       0.42857143 1.0 
     -0.42063492       0.42063492       0.42063492 1.0 
     -0.41269841       0.41269841       0.41269841 1.0 
     -0.40476190       0.40476190       0.40476190 1.0 
     -0.39682540       0.39682540       0.39682540 1.0 
     -0.38888889       0.38888889       0.38888889 1.0 
     -0.38095238       0.38095238       0.38095238 1.0 
     -0.37301587       0.37301587       0.37301587 1.0 
     -0.36507937       0.36507937       0.36507937 1.0 
     -0.35714286       0.35714286       0.35714286 1.0 
     -0.34920635       0.34920635       0.34920635 1.0 
     -0.34126984       0.34126984       0.34126984 1.0 
     -0.33333333       0.33333333       0.33333333 1.0 
     -0.32539683       0.32539683       0.32539683 1.0 
     -0.31746032       0.31746032       0.31746032 1.0 
     -0.30952381       0.30952381       0.30952381 1.0 
     -0.30158730       0.30158730       0.30158730 1.0 
     -0.29365079       0.29365079       0.29365079 1.0 
     -0.28571429       0.28571429       0.28571429 1.0 
     -0.27777778       0.27777778       0.27777778 1.0 
     -0.26984127       0.26984127       0.26984127 1.0 
     -0.26190476       0.26190476       0.26190476 1.0 
     -0.25396825       0.25396825       0.25396825 1.0 
     -0.24603175       0.24603175       0.24603175 1.0 
     -0.23809524       0.23809524       0.23809524 1.0 
     -0.23015873       0.23015873       0.23015873 1.0 
     -0.22222222       0.22222222       0.22222222 1.0 
     -0.21428571       0.21428571       0.21428571 1.0 
     -0.20634921       0.20634921       0.20634921 1.0 
     -0.19841270       0.19841270       0.19841270 1.0 
     -0.19047619       0.19047619       0.19047619 1.0 
     -0.18253968       0.18253968       0.18253968 1.0 
     -0.17460317       0.17460317       0.17460317 1.0 
     -0.16666667       0.16666667       0.16666667 1.0 
     -0.15873016       0.15873016       0.15873016 1.0 
     -0.15079365       0.15079365       0.15079365 1.0 
     -0.14285714       0.14285714       0.14285714 1.0 
     -0.13492063       0.13492063       0.13492063 1.0 
     -0.12698413       0.12698413       0.12698413 1.0 
     -0.11904762       0.11904762       0.11904762 1.0 
     -0.11111111       0.11111111       0.11111111 1.0 
     -0.10317460       0.10317460       0.10317460 1.0 
     -0.09523810       0.09523810       0.09523810 1.0 
     -0.08730159       0.08730159       0.08730159 1.0 
     -0.07936508       0.07936508       0.07936508 1.0 
     -0.07142857       0.07142857       0.07142857 1.0 
     -0.06349206       0.06349206       0.06349206 1.0 
     -0.05555556       0.05555556       0.05555556 1.0 
     -0.04761905       0.04761905       0.04761905 1.0 
     -0.03968254       0.03968254       0.03968254 1.0 
     -0.03174603       0.03174603       0.03174603 1.0 
     -0.02380952       0.02380952       0.02380952 1.0 
     -0.01587302       0.01587302       0.01587302 1.0 
     -0.00793651       0.00793651       0.00793651 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00000000       0.00000000       0.00000000 1.0 
      0.00673471       0.00673471      -0.00673471 1.0 
      0.01346941       0.01346941      -0.01346941 1.0 
      0.02020412       0.02020412      -0.02020412 1.0 
      0.02693882       0.02693882      -0.02693882 1.0 
      0.03367353       0.03367353      -0.03367353 1.0 
      0.04040824       0.04040824      -0.04040824 1.0 
      0.04714294       0.04714294      -0.04714294 1.0 
      0.05387765       0.05387765      -0.05387765 1.0 
      0.06061235       0.06061235      -0.06061235 1.0 
      0.06734706       0.06734706      -0.06734706 1.0 
      0.07408177       0.07408177      -0.07408177 1.0 
      0.08081647       0.08081647      -0.08081647 1.0 
      0.08755118       0.08755118      -0.08755118 1.0 
      0.09428588       0.09428588      -0.09428588 1.0 
      0.10102059       0.10102059      -0.10102059 1.0 
      0.10775529       0.10775529      -0.10775529 1.0 
      0.11449000       0.11449000      -0.11449000 1.0 
      0.12122471       0.12122471      -0.12122471 1.0 
      0.12795941       0.12795941      -0.12795941 1.0 
      0.13469412       0.13469412      -0.13469412 1.0 
      0.14142882       0.14142882      -0.14142882 1.0 
      0.14816353       0.14816353      -0.14816353 1.0 
      0.15489824       0.15489824      -0.15489824 1.0 
      0.16163294       0.16163294      -0.16163294 1.0 
      0.16836765       0.16836765      -0.16836765 1.0 
      0.17510235       0.17510235      -0.17510235 1.0 
      0.18183706       0.18183706      -0.18183706 1.0 
      0.18857177       0.18857177      -0.18857177 1.0 
      0.19530647       0.19530647      -0.19530647 1.0 
      0.20204118       0.20204118      -0.20204118 1.0 
      0.20877588       0.20877588      -0.20877588 1.0 
      0.21551059       0.21551059      -0.21551059 1.0 
      0.22224530       0.22224530      -0.22224530 1.0 
      0.22898000       0.22898000      -0.22898000 1.0 
      0.23571471       0.23571471      -0.23571471 1.0 
      0.24244941       0.24244941      -0.24244941 1.0 
      0.24918412       0.24918412      -0.24918412 1.0 
      0.25591883       0.25591883      -0.25591883 1.0 
      0.26265353       0.26265353      -0.26265353 1.0 
      0.26938824       0.26938824      -0.26938824 1.0 
      0.27612294       0.27612294      -0.27612294 1.0 
      0.28285765       0.28285765      -0.28285765 1.0 
      0.28959236       0.28959236      -0.28959236 1.0 
      0.29632706       0.29632706      -0.29632706 1.0 
      0.30306177       0.30306177      -0.30306177 1.0 
      0.30979647       0.30979647      -0.30979647 1.0 
      0.31653118       0.31653118      -0.31653118 1.0 
      0.32326588       0.32326588      -0.32326588 1.0 
      0.33000059       0.33000059      -0.33000059 1.0 
      0.33673530       0.33673530      -0.33673530 1.0 
      0.34347000       0.34347000      -0.34347000 1.0 
      0.35020471       0.35020471      -0.35020471 1.0 
      0.35693941       0.35693941      -0.35693941 1.0 
      0.36367412       0.36367412      -0.36367412 1.0 
      0.37040883       0.37040883      -0.37040883 1.0 
      0.37714353       0.37714353      -0.37714353 1.0 
      0.38387824       0.38387824      -0.38387824 1.0 
      0.39061294       0.39061294      -0.39061294 1.0 
      0.39734765       0.39734765      -0.39734765 1.0 
      0.40408236       0.40408236      -0.40408236 1.0 
      0.41081706       0.41081706      -0.41081706 1.0 
      0.41755177       0.41755177      -0.41755177 1.0 
      0.42428647       0.42428647      -0.42428647 1.0 
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      0.42754000       0.42754000      -0.41792462 1.0 
      0.42405883       0.42405883      -0.40482806 1.0 
      0.42057765       0.42057765      -0.39173150 1.0 
      0.41709647       0.41709647      -0.37863494 1.0 
      0.41361530       0.41361530      -0.36553837 1.0 
      0.41013412       0.41013412      -0.35244181 1.0 
      0.40665294       0.40665294      -0.33934525 1.0 
      0.40317177       0.40317177      -0.32624869 1.0 
      0.39969059       0.39969059      -0.31315213 1.0 
      0.39620941       0.39620941      -0.30005557 1.0 
      0.39272824       0.39272824      -0.28695901 1.0 
      0.38924706       0.38924706      -0.27386245 1.0 
      0.38576588       0.38576588      -0.26076588 1.0 
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      0.36836000       0.36836000      -0.19528308 1.0 
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      0.32310471       0.32310471      -0.02502778 1.0 
      0.31962353       0.31962353      -0.01193122 1.0 
      0.31614235       0.31614235       0.00116534 1.0 
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      0.30918000       0.30918000       0.02735846 1.0 
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      0.30221765       0.30221765       0.05355158 1.0 
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      0.28133059       0.28133059       0.13213095 1.0 
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      0.26740588       0.26740588       0.18451719 1.0 
      0.26392471       0.26392471       0.19761376 1.0 
      0.26044353       0.26044353       0.21071032 1.0 
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      0.25348118       0.25348118       0.23690344 1.0 
      0.25000000       0.25000000       0.25000000 1.0 
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      0.24218750       0.25781250       0.24218750 1.0 
      0.23437500       0.26562500       0.23437500 1.0 
      0.22656250       0.27343750       0.22656250 1.0 
      0.21875000       0.28125000       0.21875000 1.0 
      0.21093750       0.28906250       0.21093750 1.0 
      0.20312500       0.29687500       0.20312500 1.0 
      0.19531250       0.30468750       0.19531250 1.0 
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      0.17187500       0.32812500       0.17187500 1.0 
      0.16406250       0.33593750       0.16406250 1.0 
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      0.13281250       0.36718750       0.13281250 1.0 
      0.12500000       0.37500000       0.12500000 1.0 
      0.11718750       0.38281250       0.11718750 1.0 
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      0.10156250       0.39843750       0.10156250 1.0 
      0.09375000       0.40625000       0.09375000 1.0 
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      0.06250000       0.43750000       0.06250000 1.0 
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      0.04687500       0.45312500       0.04687500 1.0 
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      0.03125000       0.46875000       0.03125000 1.0 
      0.02343750       0.47656250       0.02343750 1.0 
      0.01562500       0.48437500       0.01562500 1.0 
      0.00781250       0.49218750       0.00781250 1.0 
      0.00000000       0.50000000      -0.00000000 1.0 
      0.00000000       0.50000000       0.00000000 1.0 
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     -0.09236168       0.51478118       0.09236168 1.0 
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     -0.13341132       0.52135059       0.13341132 1.0 
     -0.14367373       0.52299294       0.14367373 1.0 
     -0.15393614       0.52463529       0.15393614 1.0 
     -0.16419854       0.52627765       0.16419854 1.0 
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      0.24324324       0.24324324       0.25675676 1.0 
      0.25000000       0.25000000       0.25000000 1.0 

