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     Program PWSCF v.6.3MaX starts on 16May2019 at 17:26:49 

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org", 
     in publications or presentations arising from this work. More details at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI & OpenMP), running on      12 processor cores
     Number of MPI processes:                12
     Threads/MPI process:                     1

     MPI processes distributed on     1 nodes
     R & G space division:  proc/nbgrp/npool/nimage =      12
     Waiting for input...
     Reading input from standard input

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     Atomic positions and unit cell read from directory:
     ./7agnr_1uc.save/
 
     Message from routine read_upf::
     Pseudo file ../pseudo/H.pbe-rrkjus_psl.0.1.UPF has been successfully fixed on the fly.
To avoid this message in the future you can permanently fix 
 your pseudo files following instructions given in: 
https://gitlab.com/QEF/q-e/blob/master/upftools/how_to_fix_upf.md

     Subspace diagonalization in iterative solution of the eigenvalue problem:
     one sub-group per band group will be used
     scalapack distributed-memory algorithm (size of sub-group:  2*  2 procs)

 
     Parallelization info
     --------------------
     sticks:   dense  smooth     PW     G-vecs:    dense   smooth      PW
     Min         488     245     70                45526    16099    2474
     Max         489     246     71                45529    16103    2480
     Sum        5859    2943    841               546337   193213   29729
 


     bravais-lattice index     =            8
     lattice parameter (alat)  =       8.1256  a.u.
     unit-cell volume          =    8705.1007 (a.u.)^3
     number of atoms/cell      =           18
     number of atomic types    =            2
     number of electrons       =        60.00
     number of Kohn-Sham states=           50
     kinetic-energy cutoff     =      30.0000  Ry
     charge density cutoff     =     240.0000  Ry
     Exchange-correlation      = PBE ( 1  4  3  4 0 0)

     celldm(1)=   8.125588  celldm(2)=   4.651297  celldm(3)=   3.488473
     celldm(4)=   0.000000  celldm(5)=   0.000000  celldm(6)=   0.000000

     crystal axes: (cart. coord. in units of alat)
               a(1) = (   1.000000   0.000000   0.000000 )  
               a(2) = (   0.000000   4.651297   0.000000 )  
               a(3) = (   0.000000   0.000000   3.488473 )  

     reciprocal axes: (cart. coord. in units 2 pi/alat)
               b(1) = (  1.000000  0.000000  0.000000 )  
               b(2) = (  0.000000  0.214994  0.000000 )  
               b(3) = (  0.000000  0.000000  0.286658 )  


     PseudoPot. # 1 for C  read from file:
     ../pseudo/C_pbe_v1.2.uspp.F.UPF
     MD5 check sum: d1aef80898a10debaa0f26306b886e00
     Pseudo is Ultrasoft + core correction, Zval =  4.0
     Generated by new atomic code, or converted to UPF format
     Using radial grid of  721 points,  4 beta functions with: 
                l(1) =   0
                l(2) =   0
                l(3) =   1
                l(4) =   1
     Q(r) pseudized with  8 coefficients,  rinner =    1.100   1.100   1.100


     PseudoPot. # 2 for H  read from file:
     ../pseudo/H.pbe-rrkjus_psl.0.1.UPF
     MD5 check sum: 36633979392af7100e6f6632747262d3
     Pseudo is Ultrasoft, Zval =  1.0
     Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869
     Using radial grid of  929 points,  2 beta functions with: 
                l(1) =   0
                l(2) =   0
     Q(r) pseudized with 0 coefficients 


     atomic species   valence    mass     pseudopotential
        C              4.00    12.01070     C ( 1.00)
        H              1.00     1.00794     H ( 1.00)

      4 Sym. Ops. (no inversion) found



   Cartesian axes

     site n.     atom                  positions (alat units)
         1           C   tau(   1) = (   0.3406392   1.9866609   1.7442363  )
         2           C   tau(   2) = (   0.6593608   1.9866609   1.7442363  )
         3           C   tau(   3) = (   0.1675068   2.2670657   1.7442363  )
         4           C   tau(   4) = (   0.3330752   2.5529775   1.7442363  )
         5           C   tau(   5) = (   0.6669248   2.5529775   1.7442363  )
         6           C   tau(   6) = (   0.8324932   2.2670657   1.7442363  )
         7           C   tau(   7) = (   0.8346651   2.8405148   1.7442363  )
         8           C   tau(   8) = (   0.6669248   3.1280522   1.7442363  )
         9           C   tau(   9) = (   0.3330752   3.1280522   1.7442363  )
        10           C   tau(  10) = (   0.1653349   2.8405148   1.7442363  )
        11           C   tau(  11) = (   0.1675068   3.4139640   1.7442363  )
        12           C   tau(  12) = (   0.3406392   3.6943687   1.7442363  )
        13           C   tau(  13) = (   0.6593608   3.6943687   1.7442363  )
        14           C   tau(  14) = (   0.8324932   3.4139640   1.7442363  )
        15           H   tau(  15) = (   0.2210777   3.9172489   1.7442363  )
        16           H   tau(  16) = (   0.7789223   3.9172489   1.7442363  )
        17           H   tau(  17) = (   0.2210777   1.7637807   1.7442363  )
        18           H   tau(  18) = (   0.7789223   1.7637807   1.7442363  )

     number of k points=    30  gaussian smearing, width (Ry)=  0.0010
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.0666667
        k(    2) = (   0.0172410   0.0000000   0.0000000), wk =   0.0666667
        k(    3) = (   0.0344830   0.0000000   0.0000000), wk =   0.0666667
        k(    4) = (   0.0517240   0.0000000   0.0000000), wk =   0.0666667
        k(    5) = (   0.0689660   0.0000000   0.0000000), wk =   0.0666667
        k(    6) = (   0.0862070   0.0000000   0.0000000), wk =   0.0666667
        k(    7) = (   0.1034480   0.0000000   0.0000000), wk =   0.0666667
        k(    8) = (   0.1206900   0.0000000   0.0000000), wk =   0.0666667
        k(    9) = (   0.1379310   0.0000000   0.0000000), wk =   0.0666667
        k(   10) = (   0.1551720   0.0000000   0.0000000), wk =   0.0666667
        k(   11) = (   0.1724140   0.0000000   0.0000000), wk =   0.0666667
        k(   12) = (   0.1896550   0.0000000   0.0000000), wk =   0.0666667
        k(   13) = (   0.2068970   0.0000000   0.0000000), wk =   0.0666667
        k(   14) = (   0.2241380   0.0000000   0.0000000), wk =   0.0666667
        k(   15) = (   0.2413790   0.0000000   0.0000000), wk =   0.0666667
        k(   16) = (   0.2586210   0.0000000   0.0000000), wk =   0.0666667
        k(   17) = (   0.2758620   0.0000000   0.0000000), wk =   0.0666667
        k(   18) = (   0.2931030   0.0000000   0.0000000), wk =   0.0666667
        k(   19) = (   0.3103450   0.0000000   0.0000000), wk =   0.0666667
        k(   20) = (   0.3275860   0.0000000   0.0000000), wk =   0.0666667
        k(   21) = (   0.3448280   0.0000000   0.0000000), wk =   0.0666667
        k(   22) = (   0.3620690   0.0000000   0.0000000), wk =   0.0666667
        k(   23) = (   0.3793100   0.0000000   0.0000000), wk =   0.0666667
        k(   24) = (   0.3965520   0.0000000   0.0000000), wk =   0.0666667
        k(   25) = (   0.4137930   0.0000000   0.0000000), wk =   0.0666667
        k(   26) = (   0.4310340   0.0000000   0.0000000), wk =   0.0666667
        k(   27) = (   0.4482760   0.0000000   0.0000000), wk =   0.0666667
        k(   28) = (   0.4655170   0.0000000   0.0000000), wk =   0.0666667
        k(   29) = (   0.4827590   0.0000000   0.0000000), wk =   0.0666667
        k(   30) = (   0.5000000   0.0000000   0.0000000), wk =   0.0666667

     Dense  grid:   546337 G-vectors     FFT dimensions: (  45, 192, 144)

     Smooth grid:   193213 G-vectors     FFT dimensions: (  30, 135, 100)

     Estimated max dynamical RAM per process >      60.35 MB

     Estimated total dynamical RAM >     724.20 MB

     The potential is recalculated from file :
     ./7agnr_1uc.save/charge-density.dat


     negative rho (up, down):  1.180E-03 0.000E+00
     Starting wfcs are   60 randomized atomic wfcs

     Band Structure Calculation
     Davidson diagonalization with overlap
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged
     c_bands:  1 eigenvalues not converged

     ethr =  1.67E-11,  avg # of iterations = 48.6

     total cpu time spent up to now is       64.8 secs

     End of band structure calculation

          k = 0.0000 0.0000 0.0000 ( 24103 PWs)   bands (ev):

   -21.9336 -21.0898 -19.7109 -17.9685 -16.8338 -16.1936 -16.0776 -15.7085
   -15.2938 -14.7809 -13.1057 -12.7844 -12.7405 -11.2033 -11.1957 -11.1075
   -10.0260  -9.6068  -9.3594  -9.1474  -9.0730  -7.6568  -7.5554  -7.3056
    -6.3809  -6.1245  -5.6321  -4.8342  -3.7996  -3.6182  -2.0472  -1.9678
    -1.2810   0.1741   0.2437   0.4364   0.6803   1.1353   1.1782   1.3200
     1.3999   1.6166   1.7154   1.8592   1.8948   2.4332   2.4866   2.6794
     2.6826   2.7426

          k = 0.0172 0.0000 0.0000 ( 24115 PWs)   bands (ev):

   -21.9319 -21.0881 -19.7094 -17.9674 -16.8632 -16.1928 -16.1090 -15.6800
   -15.2623 -14.7877 -13.1240 -12.7724 -12.7281 -11.2262 -11.1926 -11.0835
   -10.0240  -9.6068  -9.3530  -9.1530  -9.0710  -7.6546  -7.5536  -7.3112
    -6.3844  -6.1284  -5.6312  -4.8463  -3.8168  -3.6256  -2.0413  -1.9501
    -1.2668   0.1702   0.2460   0.4387   0.6826   1.1378   1.1806   1.3224
     1.4027   1.6190   1.7178   1.8616   1.8972   2.4356   2.4882   2.6818
     2.6850   2.7383

          k = 0.0345 0.0000 0.0000 ( 24105 PWs)   bands (ev):

   -21.9267 -21.0830 -19.7046 -17.9638 -16.9427 -16.1937 -16.1913 -15.6004
   -15.1797 -14.8072 -13.1729 -12.7418 -12.6917 -11.2854 -11.1614 -11.0430
   -10.0178  -9.6068  -9.3341  -9.1692  -9.0651  -7.6483  -7.5483  -7.3281
    -6.3950  -6.1400  -5.6287  -4.8818  -3.8664  -3.6474  -2.0241  -1.8988
    -1.2247   0.1584   0.2529   0.4456   0.6897   1.1453   1.1877   1.3295
     1.4110   1.6262   1.7249   1.8687   1.9044   2.4426   2.4927   2.6889
     2.6921   2.7256

          k = 0.0517 0.0000 0.0000 ( 24099 PWs)   bands (ev):

   -21.9181 -21.0746 -19.6967 -17.9580 -17.0552 -16.3038 -16.2006 -15.4828
   -15.0670 -14.8371 -13.2419 -12.7011 -12.6333 -11.3556 -11.1112 -11.0027
   -10.0075  -9.6080  -9.3038  -9.1942  -9.0551  -7.6388  -7.5394  -7.3556
    -6.4129  -6.1592  -5.6244  -4.9391  -3.9436  -3.6826  -1.9962  -1.8188
    -1.1564   0.1391   0.2645   0.4572   0.7015   1.1577   1.1996   1.3413
     1.4249   1.6382   1.7367   1.8806   1.9163   2.4542   2.4986   2.7009
     2.7040   2.7062

          k = 0.0690 0.0000 0.0000 ( 24119 PWs)   bands (ev):

   -21.9061 -21.0628 -19.6857 -17.9500 -17.1868 -16.4320 -16.2154 -15.3401
   -14.9389 -14.8738 -13.3239 -12.6548 -12.5555 -11.4337 -11.0447 -10.9643
    -9.9932  -9.6120  -9.2638  -9.2252  -9.0412  -7.6274  -7.5271  -7.3934
    -6.4385  -6.1859  -5.6186  -5.0158  -4.0424  -3.7301  -1.9590  -1.7160
    -1.0644   0.1126   0.2807   0.4734   0.7179   1.1750   1.2162   1.3577
     1.4441   1.6550   1.7533   1.8973   1.9330   2.4706   2.5025   2.6839
     2.7177   2.7206

          k = 0.0862 0.0000 0.0000 ( 24110 PWs)   bands (ev):

   -21.8906 -21.0477 -19.6715 -17.9399 -17.3290 -16.5681 -16.2386 -15.1826
   -14.9124 -14.8040 -13.4142 -12.6039 -12.4616 -11.5181 -10.9646 -10.9274
    -9.9747  -9.6218  -9.2575  -9.2160  -9.0233  -7.6155  -7.5112  -7.4409
    -6.4721  -6.2196  -5.6112  -5.1090  -4.1572  -3.7882  -1.9137  -1.5961
    -0.9514   0.0794   0.3015   0.4942   0.7391   1.1973   1.2377   1.3790
     1.4687   1.6766   1.7746   1.9188   1.9545   2.4916   2.4974   2.6664
     2.7392   2.7420

          k = 0.1034 0.0000 0.0000 ( 24098 PWs)   bands (ev):

   -21.8717 -21.0292 -19.6542 -17.9281 -17.4767 -16.7076 -16.2705 -15.0300
   -14.9351 -14.6674 -13.5095 -12.5484 -12.3546 -11.6075 -10.8912 -10.8737
    -9.9521  -9.6416  -9.2856  -9.1624  -9.0014  -7.6049  -7.4971  -7.4918
    -6.5141  -6.2603  -5.6023  -5.2161  -4.2835  -3.8555  -1.8615  -1.4636
    -0.8204   0.0402   0.3270   0.5195   0.7651   1.2244   1.2638   1.4049
     1.4985   1.7030   1.8007   1.9450   1.9807   2.4736   2.5173   2.6638
     2.7655   2.7681

          k = 0.1207 0.0000 0.0000 ( 24094 PWs)   bands (ev):

   -21.8493 -21.0073 -19.6338 -17.9148 -17.6270 -16.8480 -16.3115 -15.0092
   -14.8149 -14.5332 -13.6064 -12.4875 -12.2378 -11.7003 -10.8548 -10.7746
    -9.9255  -9.6753  -9.3042  -9.1051  -8.9756  -7.5969  -7.5614  -7.4689
    -6.5649  -6.3074  -5.5921  -5.3343  -4.4177  -3.9306  -1.8038  -1.3220
    -0.6740  -0.0044   0.3571   0.5495   0.7957   1.2563   1.2948   1.4355
     1.5335   1.7341   1.8316   1.9759   2.0118   2.4291   2.5476   2.6790
     2.7966   2.7989

          k = 0.1379 0.0000 0.0000 ( 24126 PWs)   bands (ev):

   -21.8236 -20.9821 -19.6104 -17.9009 -17.7782 -16.9872 -16.3618 -15.0372
   -14.6346 -14.4067 -13.7001 -12.4203 -12.1164 -11.7926 -10.8176 -10.6695
    -9.8947  -9.7243  -9.3103  -9.0460  -8.9458  -7.6328  -7.5932  -7.4426
    -6.6247  -6.3606  -5.5808  -5.4612  -4.5572  -4.0122  -1.7414  -1.1739
    -0.5149  -0.0536   0.3919   0.5840   0.8311   1.2930   1.3304   1.4708
     1.5735   1.7701   1.8672   2.0117   2.0476   2.3690   2.5826   2.7075
     2.8324   2.8344

          k = 0.1552 0.0000 0.0000 ( 24128 PWs)   bands (ev):

   -21.7943 -20.9536 -19.5841 -17.9291 -17.8874 -17.1233 -16.4212 -15.0617
   -14.4463 -14.2975 -13.7812 -12.3459 -12.0148 -11.8609 -10.7791 -10.5605
    -9.8599  -9.7869  -9.3041  -8.9867  -8.9121  -7.7105  -7.5949  -7.4128
    -6.6936  -6.4195  -5.5948  -5.5686  -4.7000  -4.0992  -1.6751  -1.0213
    -0.3450  -0.1067   0.4312   0.6230   0.8712   1.3341   1.3709   1.5109
     1.6185   1.8108   1.9076   2.0521   2.0881   2.2982   2.6222   2.7452
     2.8730   2.8746

          k = 0.1724 0.0000 0.0000 ( 24116 PWs)   bands (ev):

   -21.7617 -20.9217 -19.5548 -18.0788 -17.8767 -17.2534 -16.4894 -15.0789
   -14.2536 -14.2282 -13.8270 -12.2636 -12.0405 -11.7983 -10.7388 -10.4497
    -9.8594  -9.8211  -9.2879  -8.9290  -8.8744  -7.7937  -7.6032  -7.3797
    -6.7717  -6.4835  -5.7334  -5.5561  -4.8443  -4.1906  -1.6054  -0.8658
    -0.1662  -0.1626   0.4752   0.6665   0.9161   1.3796   1.4161   1.5556
     1.6685   1.8562   1.9527   2.0974   2.1334   2.2196   2.6664   2.7903
     2.9182   2.9195

          k = 0.1897 0.0000 0.0000 ( 24114 PWs)   bands (ev):

   -21.7257 -20.8865 -19.5228 -18.2267 -17.8730 -17.3728 -16.5655 -15.0881
   -14.2293 -14.0578 -13.8072 -12.1731 -12.1336 -11.6654 -10.6964 -10.3399
    -9.9371  -9.7782  -9.2638  -8.8742  -8.8328  -7.8817  -7.6189  -7.3433
    -6.8587  -6.5522  -5.8755  -5.5440  -4.9883  -4.2856  -1.5329  -0.7089
    -0.2201   0.0199   0.5238   0.7146   0.9656   1.4290   1.4660   1.6051
     1.7234   1.9063   2.0027   2.1355   2.1474   2.1835   2.7152   2.8415
     2.9682   2.9690

          k = 0.2069 0.0000 0.0000 ( 24108 PWs)   bands (ev):

   -21.6862 -20.8481 -19.4883 -18.3724 -17.8853 -17.4726 -16.6485 -15.0891
   -14.2902 -13.8597 -13.7323 -12.2357 -12.0740 -11.5209 -10.6517 -10.2392
   -10.0108  -9.7312  -9.2334  -8.8239  -8.7874  -7.9734  -7.6429  -7.3037
    -6.9545  -6.6252  -6.0199  -5.5345  -5.1293  -4.3836  -1.4579  -0.5540
    -0.2761   0.2119   0.5770   0.7671   1.0200   1.4814   1.5206   1.6593
     1.7831   1.9600   2.0490   2.0573   2.2021   2.2383   2.7685   2.8984
     3.0228   3.0233

          k = 0.2241 0.0000 0.0000 ( 24126 PWs)   bands (ev):

   -21.6434 -20.8063 -19.4516 -18.5151 -17.9262 -17.5399 -16.7372 -15.0825
   -14.3775 -13.6600 -13.6353 -12.3398 -11.9664 -11.3720 -10.6045 -10.1918
   -10.0352  -9.6802  -9.1978  -8.7795  -8.7381  -8.0681  -7.6756  -7.2609
    -7.0587  -6.7019  -6.1656  -5.5334  -5.2609  -4.4839  -1.3805  -0.4243
    -0.3071   0.4086   0.6347   0.8242   1.0790   1.5344   1.5800   1.7182
     1.8478   1.9558   2.0251   2.1168   2.2616   2.2978   2.8263   2.9607
     3.0820   3.0821

          k = 0.2414 0.0000 0.0000 ( 24140 PWs)   bands (ev):

   -21.5971 -20.7613 -19.4133 -18.6542 -18.0014 -17.5689 -16.8304 -15.0689
   -14.4744 -13.5328 -13.4597 -12.4434 -11.8508 -11.2211 -10.5547 -10.2464
    -9.9612  -9.6252  -9.1578  -8.7430  -8.6849  -8.1645  -7.7176  -7.2152
    -7.1705  -6.7821  -6.3116  -5.5617  -5.3620  -4.5860  -1.3010  -0.4289
    -0.2038   0.6090   0.6970   0.8858   1.1428   1.5807   1.6440   1.7819
     1.8777   1.9172   2.0879   2.1810   2.3258   2.3620   2.8883   3.0281
     3.1456   3.1457

          k = 0.2586 0.0000 0.0000 ( 24138 PWs)   bands (ev):

   -21.5474 -20.7130 -19.3748 -18.7880 -18.1014 -17.5693 -16.9271 -15.0490
   -14.5742 -13.4307 -13.2604 -12.5442 -11.7282 -11.0694 -10.5021 -10.3302
    -9.8606  -9.5663  -9.1138  -8.7165  -8.6279  -8.2605  -7.7689  -7.2895
    -7.1670  -6.8651  -6.4569  -5.6489  -5.4026  -4.6894  -1.2195  -0.4837
    -0.0499   0.7637   0.8118   0.9518   1.2113   1.5968   1.7128   1.8306
     1.8504   1.9914   2.1571   2.2499   2.3947   2.4308   2.9545   3.1007
     3.2135   3.2136

          k = 0.2759 0.0000 0.0000 ( 24144 PWs)   bands (ev):

   -21.4944 -20.6616 -19.3396 -18.9131 -18.2140 -17.5533 -17.0261 -15.0235
   -14.6741 -13.3312 -13.0677 -12.6365 -11.6000 -10.9179 -10.4469 -10.4179
    -9.7579  -9.5033  -9.0663  -8.7044  -8.5670  -8.3525  -7.8296  -7.4146
    -7.1171  -6.9506  -6.6002  -5.7731  -5.4047  -4.7937  -1.1360  -0.5428
     0.1088   0.8350   1.0156   1.0222   1.2846   1.5528   1.7862   1.8471
     1.9236   2.0704   2.2313   2.3235   2.4684   2.5043   3.0246   3.1782
     3.2854   3.2858

          k = 0.2931 0.0000 0.0000 ( 24152 PWs)   bands (ev):

   -21.4380 -20.6069 -19.3180 -19.0191 -18.3319 -17.5283 -17.1266 -14.9931
   -14.7722 -13.2351 -12.9150 -12.6866 -11.4689 -10.7677 -10.5032 -10.3887
    -9.6575  -9.4364  -9.0156  -8.7142  -8.5024  -8.4333  -7.8998  -7.5450
    -7.0684  -7.0381  -6.7381  -5.9077  -5.3946  -4.8986  -1.0506  -0.6016
     0.2683   0.9107   1.0971   1.2162   1.3625   1.4721   1.8642   1.9078
     2.0015   2.1539   2.3103   2.4017   2.5468   2.5824   3.0982   3.2607
     3.3600   3.3619

          k = 0.3103 0.0000 0.0000 ( 24180 PWs)   bands (ev):

   -21.3783 -20.5492 -19.3374 -19.0787 -18.4513 -17.4984 -17.2278 -14.9585
   -14.8676 -13.1427 -12.9138 -12.5828 -11.3397 -10.6201 -10.5806 -10.3273
    -9.5613  -9.3656  -8.9620  -8.7559  -8.4932  -8.4341  -7.9791  -7.6795
    -7.1271  -7.0360  -6.8554  -6.0447  -5.3806  -5.0035  -0.9634  -0.6587
     0.4276   0.9908   1.1764   1.3353   1.4451   1.4576   1.9469   1.9883
     2.0841   2.2419   2.3942   2.4847   2.6300   2.6650   3.1739   3.3482
     3.4339   3.4401

          k = 0.3276 0.0000 0.0000 ( 24202 PWs)   bands (ev):

   -21.3152 -20.4884 -19.4139 -19.0757 -18.5705 -17.4656 -17.3289 -14.9592
   -14.9205 -13.0539 -12.9920 -12.3970 -11.2224 -10.6399 -10.4773 -10.2619
    -9.4705  -9.2909  -8.9056  -8.8304  -8.5314  -8.3621  -8.0671  -7.8169
    -7.2173  -7.0855  -6.8861  -6.1813  -5.3651  -5.1083  -0.8743  -0.7133
     0.5863   1.0753   1.2475   1.2600   1.5324   1.6416   2.0341   2.0816
     2.1715   2.3342   2.4830   2.5723   2.7178   2.7521   3.2483   3.4405
     3.4884   3.5132

          k = 0.3448 0.0000 0.0000 ( 24204 PWs)   bands (ev):

   -21.2487 -20.4246 -19.5194 -19.0385 -18.6883 -17.4314 -17.4293 -15.0463
   -14.8796 -13.0806 -12.9687 -12.1980 -11.1384 -10.6599 -10.3438 -10.1891
    -9.3861  -9.2124  -8.9266  -8.8468  -8.5590  -8.2864  -8.1634  -7.9557
    -7.3081  -7.2050  -6.8419  -6.3165  -5.3495  -5.2125  -0.7833  -0.7646
     0.7443   1.1402   1.1642   1.3479   1.6244   1.8365   2.1259   2.1874
     2.2634   2.4302   2.5765   2.6643   2.8103   2.8432   3.3041   3.4506
     3.5290   3.5377

          k = 0.3621 0.0000 0.0000 ( 24168 PWs)   bands (ev):

   -21.1790 -20.3580 -19.6333 -18.9877 -18.8039 -17.5284 -17.3967 -15.1279
   -14.8367 -13.1690 -12.8872 -11.9962 -11.1135 -10.6148 -10.2295 -10.1014
    -9.3092  -9.1300  -9.0337  -8.7858  -8.5859  -8.2670  -8.2072  -8.0941
    -7.3991  -7.3368  -6.7805  -6.4496  -5.3342  -5.3159  -0.8122  -0.6906
     0.9014   1.0297   1.2574   1.4399   1.7210   2.0228   2.2222   2.3092
     2.3598   2.5291   2.6750   2.7607   2.9075   2.9376   3.2742   3.3372
     3.4295   3.5188

          k = 0.3793 0.0000 0.0000 ( 24200 PWs)   bands (ev):

   -21.1060 -20.2887 -19.7486 -18.9305 -18.9170 -17.6255 -17.3628 -15.2034
   -14.7927 -13.2541 -12.8096 -11.7945 -11.1416 -10.5108 -10.1435  -9.9930
    -9.2412  -9.1453  -9.0438  -8.7229  -8.6171  -8.3768  -8.2305  -8.1245
    -7.4898  -7.4697  -6.7129  -6.5804  -5.4180  -5.3199  -0.8555  -0.5963
     0.9181   1.0576   1.3548   1.5359   1.8222   2.1925   2.3226   2.4526
     2.4605   2.6285   2.7784   2.8605   3.0092   3.0276   3.1692   3.2099
     3.2982   3.5844

          k = 0.3966 0.0000 0.0000 ( 24222 PWs)   bands (ev):

   -21.0297 -20.2170 -19.8631 -19.0269 -18.8699 -17.7198 -17.3304 -15.2717
   -14.7486 -13.3343 -12.7365 -11.5942 -11.1951 -10.3753 -10.0812  -9.8739
    -9.2554  -9.1840  -8.9538  -8.6598  -8.6544  -8.4896  -8.3627  -8.0385
    -7.6015  -7.5795  -6.7083  -6.6417  -5.5185  -5.3068  -0.8940  -0.5003
     0.8062   1.2127   1.4563   1.6359   1.9281   2.3431   2.4268   2.5648
     2.6190   2.7196   2.8868   2.9476   3.0182   3.0894   3.1137   3.1643
     3.1667   3.5601

          k = 0.4138 0.0000 0.0000 ( 24234 PWs)   bands (ev):

   -20.9502 -20.1434 -19.9757 -19.1331 -18.8076 -17.8102 -17.3007 -15.3320
   -14.7057 -13.4078 -12.6689 -11.3964 -11.2559 -10.2257 -10.0410  -9.7557
    -9.3553  -9.1410  -8.8602  -8.6984  -8.6275  -8.5714  -8.4880  -7.9494
    -7.7310  -7.6673  -6.8331  -6.5679  -5.6169  -5.2952  -0.9273  -0.4030
     0.6948   1.3668   1.5618   1.7394   2.0385   2.4803   2.5326   2.6703
     2.7634   2.8015   2.8617   3.0008   3.0180   3.0285   3.0874   3.2278
     3.2670   3.4010

          k = 0.4310 0.0000 0.0000 ( 24226 PWs)   bands (ev):

   -20.8676 -20.0856 -20.0687 -19.2345 -18.7454 -17.8953 -17.2744 -15.3832
   -14.6659 -13.4727 -12.6083 -11.3154 -11.2024 -10.0700 -10.0330  -9.6465
    -9.4297  -9.1196  -8.7629  -8.7482  -8.7232  -8.6036  -8.5185  -7.8580
    -7.8575  -7.7521  -6.9543  -6.4926  -5.7123  -5.2854  -0.9550  -0.3048
     0.5847   1.5196   1.6710   1.8461   2.1533   2.6115   2.6205   2.6959
     2.7533   2.7593   2.9192   2.9906   3.0604   3.1213   3.2002   3.2424
     3.3430   3.3820

          k = 0.4483 0.0000 0.0000 ( 24226 PWs)   bands (ev):

   -20.7820 -20.1927 -19.9946 -19.3295 -18.6859 -17.9726 -17.2527 -15.4243
   -14.6311 -13.5272 -12.5568 -11.3679 -11.0141 -10.0711  -9.9122  -9.5615
    -9.4537  -9.1351  -8.8094  -8.8016  -8.7058  -8.6620  -8.4543  -7.9821
    -7.8317  -7.7638  -7.0709  -6.4172  -5.8033  -5.2776  -0.9769  -0.2063
     0.4768   1.6708   1.7834   1.9552   2.2719   2.5626   2.5720   2.7207
     2.7417   2.7956   2.9455   3.0917   3.1625   3.1751   3.2531   3.3193
     3.4620   3.4948

          k = 0.4655 0.0000 0.0000 ( 24188 PWs)   bands (ev):

   -20.6939 -20.2962 -19.9250 -19.4141 -18.6336 -18.0376 -17.2365 -15.4544
   -14.6036 -13.5687 -12.5169 -11.4094 -10.8351 -10.1558  -9.7551  -9.5238
    -9.4107  -9.2039  -8.8574  -8.8533  -8.7893  -8.5577  -8.3944  -8.1030
    -7.9021  -7.6702  -7.1808  -6.3450  -5.8867  -5.2718  -0.9928  -0.1100
     0.3735   1.8193   1.8976   2.0644   2.3837   2.4352   2.4520   2.6073
     2.8731   2.9078   2.9476   3.0574   3.2813   3.3330   3.3933   3.4313
     3.4642   3.4687

          k = 0.4828 0.0000 0.0000 ( 24200 PWs)   bands (ev):

   -20.6052 -20.3943 -19.8690 -19.4790 -18.5956 -18.0832 -17.2264 -15.4728
   -14.5859 -13.5948 -12.4914 -11.4361 -10.6757 -10.2657  -9.6011  -9.5062
    -9.3561  -9.3167  -8.8934  -8.8742  -8.8470  -8.4506  -8.3478  -8.2202
    -7.9550  -7.5846  -7.2763  -6.2847  -5.9537  -5.2684  -1.0023  -0.0233
     0.2826   1.9607   2.0078   2.1661   2.2992   2.3136   2.4987   2.5320
     2.8015   3.0061   3.0359   3.1830   3.2875   3.3125   3.4041   3.4511
     3.4806   3.5749

          k = 0.5000 0.0000 0.0000 ( 24218 PWs)   bands (ev):

   -20.5418 -20.4607 -19.8456 -19.5054 -18.5813 -18.1000 -17.2230 -15.4790
   -14.5798 -13.6038 -12.4826 -11.4453 -10.5902 -10.3360  -9.4990  -9.4577
    -9.4485  -9.3336  -8.9089  -8.8776  -8.8685  -8.3585  -8.3291  -8.3157
    -7.9757  -7.5402  -7.3239  -6.2582  -5.9824  -5.2672  -1.0055   0.0209
     0.2371   2.0505   2.0739   2.2111   2.2209   2.2459   2.4412   2.6555
     2.6723   3.1185   3.1383   3.1738   3.2058   3.3145   3.3154   3.4893
     3.6067   3.6196

     Writing output data file 7agnr_1uc.save/
 
     init_run     :      0.51s CPU      0.65s WALL (       1 calls)
     electrons    :     62.06s CPU     63.34s WALL (       1 calls)

     Called by init_run:
     wfcinit      :      0.00s CPU      0.00s WALL (       1 calls)
     potinit      :      0.10s CPU      0.17s WALL (       1 calls)
     hinit0       :      0.24s CPU      0.26s WALL (       1 calls)

     Called by electrons:
     c_bands      :     62.06s CPU     63.34s WALL (       1 calls)
     v_of_rho     :      0.07s CPU      0.08s WALL (       1 calls)
     newd         :      0.04s CPU      0.08s WALL (       1 calls)

     Called by c_bands:
     init_us_2    :      0.03s CPU      0.06s WALL (      30 calls)
     cegterg      :     59.39s CPU     60.48s WALL (      82 calls)

     Called by sum_band:

     Called by *egterg:
     h_psi        :     33.44s CPU     34.05s WALL (    1569 calls)
     s_psi        :      2.77s CPU      2.84s WALL (    1569 calls)
     g_psi        :      0.39s CPU      0.47s WALL (    1457 calls)
     cdiaghg      :      9.92s CPU     10.27s WALL (    1487 calls)

     Called by h_psi:
     h_psi:pot    :     33.00s CPU     33.61s WALL (    1569 calls)
     h_psi:calbec :      2.93s CPU      2.97s WALL (    1569 calls)
     vloc_psi     :     27.26s CPU     27.86s WALL (    1569 calls)
     add_vuspsi   :      2.78s CPU      2.77s WALL (    1569 calls)

     General routines
     calbec       :      2.93s CPU      2.96s WALL (    1569 calls)
     fft          :      0.08s CPU      0.10s WALL (      14 calls)
     ffts         :      0.00s CPU      0.00s WALL (       1 calls)
     fftw         :     23.91s CPU     24.50s WALL (   63096 calls)
     interpolate  :      0.01s CPU      0.01s WALL (       1 calls)
     davcio       :      0.04s CPU      0.11s WALL (      60 calls)
 
     Parallel routines
     fft_scatt_xy :      3.72s CPU      3.96s WALL (   63111 calls)
     fft_scatt_yz :      7.24s CPU      7.33s WALL (   63111 calls)
 
     PWSCF        :  1m 3.06s CPU     1m 6.99s WALL

 
   This run was terminated on:  17:27:56  16May2019            

=------------------------------------------------------------------------------=
   JOB DONE.
=------------------------------------------------------------------------------=