    <><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
                                ___
                             .-'   `'.
                            /         \
                            |         ;
                            |         |           ___.--,
                   _.._     |0) ~ (0) |    _.---'`__.-( (_.
            __.--'`_.. '.__.\    '--. \_.-' ,.--'`     `""`
           ( ,.--'`   ',__ /./;   ;, '.__.'`    __
           _`) )  .---.__.' / |   |\   \__..--""  """--.,_
          `---' .'.''-._.-'`_./  /\ '.  \ _.-~~~````~~~-._`-.__.'
                | |  .' _.-' |  |  \  \  '.               `~---`
                 \ \/ .'     \  \   '. '-._)
                  \/ /        \  \    `=.__`~-.
             jgs  / /\         `) )    / / `"".`\
            , _.-'.'\ \        / /    ( (     / /
             `--~`   ) )    .-'.'      '.'.  | (
                    (/`    ( (`          ) )  '-;
                     `      '-;         (-'

    This program is free software; you can redistribute it and/or modify
    it under the terms of the GNU General Public License as published by
    the Free Software Foundation; either version 2, or (at your option)
    any later version.

    This program is distributed in the hope that it will be useful,
    but WITHOUT ANY WARRANTY; without even the implied warranty of
    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
    GNU General Public License for more details.

    You should have received a copy of the GNU General Public License
    along with this program; if not, write to the Free Software
    Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA

    <><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>

                           Running octopus

Version                : wolfi
Commit                 : b4d3709b98e92daed1b0e032723039dd58cb42f5
Build time             : Thu Feb  8 21:26:11 CET 2018
Configuration options  : max-dim=3 mpi sse2
Optional libraries     : metis mpi2 pfft
Architecture           : x86_64
C compiler             : mpicc (gcc)
C compiler flags       : -g -O2
Fortran compiler       : mpif90 (gfortran) (GCC version 6.3.0 20170516)
Fortran compiler flags : -g -fbounds-check -ffree-line-length-none -fbacktrace -Wall -Wl,-rpath=/home/askhl/install/fftw-3.3.4/lib -Wl,-rpath=/home/askhl/i

            The octopus is swimming in jormungandr (Linux)


            Calculation started on 2018/02/12 at 16:14:20


************************** Calculation Mode **************************
Input: [CalculationMode = gs]
**********************************************************************

Reading Coordinates from Coordinates block
Input: [PseudopotentialSet = standard]

****************************** Species *******************************
Reading pseudopotential from file:
      '/home/askhl/install/octopus/share/octopus/pseudopotentials/PSF/Si.psf'
      Calculating atomic pseudo-eigenfunctions for species Si....
Info: l =  0 component used as local potential.
Info: l =  2 is maximum angular momentum considered.
Number of orbitals: total =     16, bound =      4
**********************************************************************

Identity has a fractional translation    -0.500000   -0.500000   -0.500000
Disabling fractional translations. System appears to be a supercell.

***************************** Symmetries *****************************
Space group No.  227
International: Fd-3m
Schoenflies: Oh^7
  Index                Rotation matrix                      Fractional translations
    1 :     1   0   0     0   1   0     0   0   1      0.000000    0.000000    0.000000
    2 :    -1   0   0     0  -1   0     0   0   1      0.000000   -0.000000    0.000000
    3 :    -1   0   0     0   1   0     0   0   1      0.000000    0.000000    0.000000
    4 :     1   0   0     0  -1   0     0   0   1      0.000000   -0.000000    0.000000
    5 :     0  -1   0    -1   0   0     0   0  -1      0.000000    0.000000   -0.000000
    6 :     0   1   0     1   0   0     0   0  -1      0.000000   -0.000000   -0.000000
    7 :     0  -1   0     1   0   0     0   0  -1      0.000000    0.000000   -0.000000
    8 :     0   1   0    -1   0   0     0   0  -1      0.000000   -0.000000   -0.000000
Info: The system has     8 symmetries that can be used.
**********************************************************************

Checking if the generated full k-point grid is symmetric

    18 k-points generated from parameters :
 ---------------------------------------------------
    n =    4    4    4

    s1  =  0.00  0.00  0.00

 index |    weight    |             coordinates              |
     1 |     0.015625 |    0.000000    0.000000    0.000000  |
     2 |     0.062500 |    0.250000    0.000000    0.000000  |
     3 |     0.031250 |    0.000000    0.000000    0.250000  |
     4 |     0.062500 |    0.250000    0.250000    0.000000  |
     5 |     0.125000 |    0.250000    0.000000    0.250000  |
     6 |     0.125000 |    0.250000    0.250000    0.250000  |
     7 |     0.031250 |    0.500000    0.000000    0.000000  |
     8 |     0.015625 |    0.000000    0.000000    0.500000  |
     9 |     0.062500 |    0.500000    0.250000    0.000000  |
    10 |     0.062500 |    0.500000    0.000000    0.250000  |
    11 |     0.062500 |    0.250000    0.000000    0.500000  |
    12 |     0.125000 |    0.500000    0.250000    0.250000  |
    13 |     0.062500 |    0.250000    0.250000    0.500000  |
    14 |     0.015625 |    0.500000    0.500000    0.000000  |
    15 |     0.031250 |    0.500000    0.000000    0.500000  |
    16 |     0.031250 |    0.500000    0.500000    0.250000  |
    17 |     0.062500 |    0.500000    0.250000    0.500000  |
    18 |     0.015625 |    0.500000    0.500000    0.500000  |

Input: [SpinComponents = unpolarized]
Input: [SmearingFunction = semiconducting]
Input: [SymmetrizeDensity = yes]

******************************* States *******************************
Total electronic charge  =       16.000
Number of states         =        8
States block-size        =        4
**********************************************************************

Input: [CurvMethod = curv_uniform]
Input: [DerivativesStencil = stencil_star]

************************** Parallelization ***************************
Info: Octopus will run in *serial*
**********************************************************************

Info: Generating weights for finite-difference discretization of x-gradient
Info: Generating weights for finite-difference discretization of y-gradient
Info: Generating weights for finite-difference discretization of z-gradient
Info: Generating weights for finite-difference discretization of Laplacian
Checking if the real-space grid is symmetric

******************************** Grid ********************************
Simulation Box:
  Type = parallelepiped
  Lengths [b] = (   3.628,   3.628,   5.131)
  Octopus will run in 3 dimension(s).
  Octopus will treat the system as periodic in 3 dimension(s).

  Lattice Vectors [b]
    7.255773    0.000000    0.000000
    0.000000    7.255773    0.000000
    0.000000    0.000000   10.261213
  Cell volume =           540.2143 [b^3]
  Reciprocal-Lattice Vectors [b^-1]
    0.865957    0.000000    0.000000
    0.000000    0.865957    0.000000
    0.000000    0.000000    0.612324
Main mesh:
  Spacing [b] = ( 0.279, 0.279, 0.285)    volume/point [b^3] =      0.02220
  # inner mesh =      24336
  # total mesh =      46192
  Grid Cutoff [H] =    60.740359    Grid Cutoff [Ry] =   121.480718
**********************************************************************

Info: states-block size = 1.4 MiB
Input: [StatesOrthogonalization = gram_schmidt]

****************************** Hartree *******************************
The chosen Poisson solver is 'fast Fourier transform'
Input: [PoissonFFTKernel = fft_nocut]
**********************************************************************

Input: [FFTLibrary = fftw]
Info: FFT grid dimensions       = 26 x 26 x 36
      Total grid size           = 24336 (   0.2 MiB )

**************************** Theory Level ****************************
Input: [TheoryLevel = dft]

Exchange-correlation:
  Exchange
    Slater exchange (LDA)
    [1] P. A. M. Dirac, Math. Proc. Cambridge Philos. Soc. 26, 376 (1930)
    [2] F. Bloch, Z. Phys. 57, 545 (1929)
  Correlation
    Perdew & Zunger (Modified) (LDA)
    [1] J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981), modified to improve the matching between the low- and high-rs

Input: [SICCorrection = sic_none]
**********************************************************************

Input: [FilterPotentials = filter_TS]
Info: Pseudopotential for Si
  Radii for localized parts:
    local part     =  2.4 b
    non-local part =  2.3 b
    orbitals       = 10.8 b

Input: [RelativisticCorrection = non_relativistic]

****************** Approximate memory requirements *******************
Mesh
  global  :       0.7 MiB
  local   :       1.1 MiB
  total   :       1.8 MiB

States
  real    :      50.7 MiB (par_kpoints + par_states + par_domains)
  complex :     101.5 MiB (par_kpoints + par_states + par_domains)

**********************************************************************

Info: Generating external potential
      done.
Info: Octopus initialization completed.
Info: Starting calculation mode.
Info: Allocating ground state wave-functions
Info: Blocks of states
      Block       1 contains       4 states:       1 -       4
      Block       2 contains       4 states:       5 -       8
Info: Ground-state allocation done.
Input: [MixField = potential] (what to mix during SCF cycles)
Input: [MixingScheme = broyden]

**************************** Eigensolver *****************************
Input: [Eigensolver = cg]
Input: [Preconditioner = pre_filter]
Input: [PreconditionerFilterFactor = 0.6000]
Input: [SubspaceDiagonalization = standard]
**********************************************************************

Input: [EigensolverSkipKpoints = no]
Input: [LCAOStart = lcao_full]
Input: [LCAOScaleFactor = 1.000]
Input: [LCAOMaximumOrbitalRadius = 20.00 b]
Info: Unnormalized total charge =     16.004569
Info: Renormalized total charge =     16.000000
Info: Setting up Hamiltonian.
Info: Performing initial LCAO calculation with     16 orbitals.
Info: Getting Hamiltonian matrix elements.

Eigenvalues [H]
 #st  Spin   Eigenvalue      Occupation
#k =   1, k = (  0.000000,  0.000000,  0.000000)
   1   --    -0.297608       2.000000
   2   --    -0.146345       2.000000
   3   --    -0.146345       2.000000
   4   --     0.034451       2.000000
   5   --     0.034451       2.000000
   6   --     0.151152       2.000000
   7   --     0.151167       2.000000
   8   --     0.151167       2.000000
#k =   2, k = (  0.250000,  0.000000,  0.000000)
   1   --    -0.275476       2.000000
   2   --    -0.152445       2.000000
   3   --    -0.123483       2.000000
   4   --     0.012581       2.000000
   5   --     0.056319       2.000000
   6   --     0.071021       2.000000
   7   --     0.123994       2.000000
   8   --     0.172299       2.000000
#k =   3, k = (  0.000000,  0.000000,  0.250000)
   1   --    -0.286527       2.000000
   2   --    -0.211198       2.000000
   3   --    -0.062384       2.000000
   4   --     0.044878       2.000000
   5   --     0.044878       2.000000
   6   --     0.117542       2.000000
   7   --     0.133877       2.000000
   8   --     0.133877       2.000000
#k =   4, k = (  0.250000,  0.250000,  0.000000)
   1   --    -0.253285       2.000000
   2   --    -0.129551       2.000000
   3   --    -0.129551       2.000000
   4   --     0.033653       2.000000
   5   --     0.033653       2.000000
   6   --     0.074580       2.000000
   7   --     0.112884       2.000000
   8   --     0.112895       2.000000
#k =   5, k = (  0.250000,  0.000000,  0.250000)
   1   --    -0.264467       2.000000
   2   --    -0.197339       2.000000
   3   --    -0.071639       2.000000
   4   --     0.036392       2.000000
   5   --     0.040639       2.000000
   6   --     0.066753       2.000000
   7   --     0.154968       2.000000
   8   --     0.154978       2.000000
#k =   6, k = (  0.250000,  0.250000,  0.250000)
   1   --    -0.242328       2.000000
   2   --    -0.181339       2.000000
   3   --    -0.073316       2.000000
   4   --     0.032031       2.000000
   5   --     0.032276       2.000000
   6   --     0.072943       2.000000
   7   --     0.110395       2.000000
   8   --     0.170544       2.000000
#k =   7, k = (  0.500000,  0.000000,  0.000000)
   1   --    -0.209477       2.000000
   2   --    -0.181331       2.000000
   3   --    -0.055093       2.000000
   4   --    -0.006333       2.000000
   5   --     0.040128       2.000000
   6   --     0.108462       2.000000
   7   --     0.122050       2.000000
   8   --     0.235884       2.000000
#k =   8, k = (  0.000000,  0.000000,  0.500000)
   1   --    -0.255296       2.000000
   2   --    -0.253284       2.000000
   3   --     0.037606       2.000000
   4   --     0.074594       2.000000
   5   --     0.076177       2.000000
   6   --     0.076177       2.000000
   7   --     0.112892       2.000000
   8   --     0.112892       2.000000
#k =   9, k = (  0.500000,  0.250000,  0.000000)
   1   --    -0.187102       2.000000
   2   --    -0.158693       2.000000
   3   --    -0.061008       2.000000
   4   --     0.012230       2.000000
   5   --     0.061145       2.000000
   6   --     0.096860       2.000000
   7   --     0.109131       2.000000
   8   --     0.163936       2.000000
#k =  10, k = (  0.500000,  0.000000,  0.250000)
   1   --    -0.198937       2.000000
   2   --    -0.185505       2.000000
   3   --    -0.064534       2.000000
   4   --    -0.022936       2.000000
   5   --     0.085299       2.000000
   6   --     0.132506       2.000000
   7   --     0.138608       2.000000
   8   --     0.218474       2.000000
#k =  11, k = (  0.250000,  0.000000,  0.500000)
   1   --    -0.237614       2.000000
   2   --    -0.231458       2.000000
   3   --    -0.012939       2.000000
   4   --     0.007197       2.000000
   5   --     0.098074       2.000000
   6   --     0.109255       2.000000
   7   --     0.133986       2.000000
   8   --     0.177034       2.000000
#k =  12, k = (  0.500000,  0.250000,  0.250000)
   1   --    -0.176539       2.000000
   2   --    -0.163676       2.000000
   3   --    -0.061246       2.000000
   4   --    -0.009117       2.000000
   5   --     0.071544       2.000000
   6   --     0.128629       2.000000
   7   --     0.134794       2.000000
   8   --     0.183844       2.000000
#k =  13, k = (  0.250000,  0.250000,  0.500000)
   1   --    -0.219298       2.000000
   2   --    -0.209476       2.000000
   3   --    -0.017726       2.000000
   4   --    -0.006320       2.000000
   5   --     0.059979       2.000000
   6   --     0.108470       2.000000
   7   --     0.154196       2.000000
   8   --     0.235869       2.000000
#k =  14, k = (  0.500000,  0.500000,  0.000000)
   1   --    -0.120338       2.000000
   2   --    -0.090850       2.000000
   3   --    -0.090850       2.000000
   4   --     0.045957       2.000000
   5   --     0.121583       2.000000
   6   --     0.121594       2.000000
   7   --     0.124154       2.000000
   8   --     0.124154       2.000000
#k =  15, k = (  0.500000,  0.000000,  0.500000)
   1   --    -0.197284       2.000000
   2   --    -0.167772       2.000000
   3   --    -0.053156       2.000000
   4   --    -0.044875       2.000000
   5   --     0.163890       2.000000
   6   --     0.179585       2.000000
   7   --     0.197446       2.000000
   8   --     0.197460       2.000000
#k =  16, k = (  0.500000,  0.500000,  0.250000)
   1   --    -0.109848       2.000000
   2   --    -0.108139       2.000000
   3   --    -0.066396       2.000000
   4   --     0.013578       2.000000
   5   --     0.090074       2.000000
   6   --     0.125849       2.000000
   7   --     0.174575       2.000000
   8   --     0.194763       2.000000
#k =  17, k = (  0.500000,  0.250000,  0.500000)
   1   --    -0.176469       2.000000
   2   --    -0.145219       2.000000
   3   --    -0.041996       2.000000
   4   --    -0.036255       2.000000
   5   --     0.103798       2.000000
   6   --     0.142611       2.000000
   7   --     0.225183       2.000000
   8   --     0.250814       2.000000
#k =  18, k = (  0.500000,  0.500000,  0.500000)
   1   --    -0.121459       2.000000
   2   --    -0.078485       2.000000
   3   --    -0.028501       2.000000
   4   --    -0.021391       2.000000
   5   --     0.095805       2.000000
   6   --     0.139717       2.000000
   7   --     0.270796       2.000000
   8   --     0.295481       2.000000
Info: SCF using complex wavefunctions.
Info: Starting SCF iteration.


*********************** SCF CYCLE ITER #    1 ************************
 etot  = -1.58814890E+01 abs_ev   =  6.90E-01 rel_ev   =  1.15E+00
 ediff =       -7.08E-01 abs_dens =  1.57E+00 rel_dens =  9.81E-02
Matrix vector products:   3888
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.290347    2.000000   (3.2E-04)
      1       3       -0.280329    2.000000   (1.5E-03)
      1       2       -0.270504    2.000000   (2.9E-03)
      1       5       -0.260967    2.000000   (5.2E-03)
      1       8       -0.250633    2.000000   (2.1E-03)
      2       8       -0.250633    2.000000   (1.9E-03)
      1       4       -0.250626    2.000000   (2.1E-03)
      1       6       -0.241515    2.000000   (5.6E-03)

  [output of 127 eigenvalues skipped: maximum error = 1.1E-01]

      8      15        0.105589    2.000000   (8.4E-02)
      7       3        0.117955    2.000000   (2.1E-02)
      8       3        0.117955    2.000000   (2.1E-02)
      7       5        0.119233    2.000000   (1.7E-02)
      8       5        0.119706    2.000000   (1.6E-02)
      8       2        0.136742    2.000000   (1.6E-02)
      6       1        0.146543    2.000000   (1.7E-03)
      7       1        0.147304    2.000000   (1.4E-03)
      8       1        0.147304    2.000000   (1.4E-03)

Density of states:

-------------------------------------------------%--------------------
-------------------------------------------------%--------------------
-----------------------------------------------%-%--------------------
------------------------%----------------------%-%---%----------------
------------------------%----------------------%-%---%----%-----------
------------------------%%---------------------%-%---%----%--%%-------
------------------------%%------%--------------%-%---%----%--%%-------
------------%-----------%%------%----%---------%-%---%%---%--%%-------
------%-----%-%-%-------%%------%----%------%--%-%---%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%-%%--%%%%%%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     1:         42.56
**********************************************************************



*********************** SCF CYCLE ITER #    2 ************************
 etot  = -1.58786724E+01 abs_ev   =  3.78E-03 rel_ev   =  6.32E-03
 ediff =        2.82E-03 abs_dens =  3.30E-02 rel_dens =  2.06E-03
Matrix vector products:   3888
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.290023    2.000000   (3.4E-06)
      1       3       -0.280003    2.000000   (1.5E-05)
      1       2       -0.270177    2.000000   (1.5E-05)
      1       5       -0.260639    2.000000   (3.3E-05)
      1       8       -0.250300    2.000000   (1.6E-05)
      2       8       -0.250300    2.000000   (3.2E-05)
      1       4       -0.250295    2.000000   (1.6E-05)
      1       6       -0.241184    2.000000   (3.6E-05)

  [output of 127 eigenvalues skipped: maximum error = 1.4E-02]

      8      15        0.104051    2.000000   (3.3E-03)
      7       3        0.118277    2.000000   (9.7E-04)
      8       3        0.118277    2.000000   (9.7E-04)
      7       5        0.119723    2.000000   (6.7E-04)
      8       5        0.120064    2.000000   (6.4E-04)
      8       2        0.137146    2.000000   (3.9E-04)
      6       1        0.147213    2.000000   (2.6E-05)
      7       1        0.147758    2.000000   (2.2E-05)
      8       1        0.147758    2.000000   (2.2E-05)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%---%----------------
------------------------%----------------------%-%---%----%-----------
------------------------%----------------------%-%---%----%-----------
------------------------%%---------------------%-%---%----%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%---%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%---%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%---%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     2:         42.37
**********************************************************************



*********************** SCF CYCLE ITER #    3 ************************
 etot  = -1.58600251E+01 abs_ev   =  1.45E-02 rel_ev   =  2.48E-02
 ediff =        1.86E-02 abs_dens =  3.72E-02 rel_dens =  2.32E-03
Matrix vector products:   3888
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.289233    2.000000   (4.3E-06)
      1       3       -0.279206    2.000000   (1.9E-05)
      1       2       -0.269375    2.000000   (1.7E-05)
      1       5       -0.259830    2.000000   (2.3E-05)
      1       8       -0.249485    2.000000   (2.6E-05)
      2       8       -0.249485    2.000000   (3.0E-05)
      1       4       -0.249483    2.000000   (2.7E-05)
      1       6       -0.240364    2.000000   (2.3E-05)

  [output of 127 eigenvalues skipped: maximum error = 2.1E-03]

      8      15        0.105064    2.000000   (2.4E-04)
      7       3        0.119272    2.000000   (1.8E-04)
      8       3        0.119272    2.000000   (1.8E-04)
      7       5        0.121020    2.000000   (2.1E-04)
      8       5        0.121094    2.000000   (1.5E-04)
      8       2        0.138244    2.000000   (8.5E-05)
      6       1        0.148779    2.000000   (2.4E-05)
      7       1        0.148889    2.000000   (1.8E-05)
      8       1        0.148889    2.000000   (1.8E-05)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%--------%-----------
------------------------%----------------------%-%--------%-----------
------------------------%%---------------------%-%--------%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%--%%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%--%%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%--%%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     3:         42.97
**********************************************************************



*********************** SCF CYCLE ITER #    4 ************************
 etot  = -1.58609154E+01 abs_ev   =  6.92E-04 rel_ev   =  1.18E-03
 ediff =       -8.90E-04 abs_dens =  1.10E-03 rel_dens =  6.86E-05
Matrix vector products:   3787
Converged eigenvectors:     30

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.289273    2.000000   (9.5E-07)
      1       3       -0.279247    2.000000   (7.2E-07)
      1       2       -0.269416    2.000000   (7.3E-07)
      1       5       -0.259871    2.000000   (8.5E-07)
      1       8       -0.249526    2.000000   (9.6E-07)
      2       8       -0.249526    2.000000   (7.7E-07)
      1       4       -0.249525    2.000000   (6.9E-07)
      1       6       -0.240406    2.000000   (8.1E-07)

  [output of 127 eigenvalues skipped: maximum error = 2.4E-04]

      8      15        0.105015    2.000000   (9.1E-06)
      7       3        0.119225    2.000000   (4.4E-06)
      8       3        0.119225    2.000000   (4.3E-06)
      7       5        0.120970    2.000000   (1.3E-05)
      8       5        0.121044    2.000000   (1.3E-05)
      8       2        0.138190    2.000000   (7.1E-07)
      6       1        0.148724    2.000000   (8.2E-07)
      7       1        0.148834    2.000000   (9.1E-07)
      8       1        0.148834    2.000000   (9.1E-07)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%--------%-----------
------------------------%----------------------%-%--------%-----------
------------------------%%---------------------%-%--------%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%--%%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%--%%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%--%%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     4:         42.07
**********************************************************************



*********************** SCF CYCLE ITER #    5 ************************
 etot  = -1.58642883E+01 abs_ev   =  2.55E-03 rel_ev   =  4.34E-03
 ediff =       -3.37E-03 abs_dens =  4.44E-03 rel_dens =  2.77E-04
Matrix vector products:   3883
Converged eigenvectors:      2

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.289419    2.000000   (9.0E-07)
      1       3       -0.279395    2.000000   (2.1E-06)
      1       2       -0.269565    2.000000   (2.1E-06)
      1       5       -0.260022    2.000000   (3.8E-06)
      1       8       -0.249678    2.000000   (2.1E-06)
      2       8       -0.249678    2.000000   (4.6E-06)
      1       4       -0.249677    2.000000   (4.3E-06)
      1       6       -0.240560    2.000000   (3.3E-06)

  [output of 127 eigenvalues skipped: maximum error = 5.7E-05]

      8      15        0.104837    2.000000   (2.6E-06)
      7       3        0.119053    2.000000   (2.0E-05)
      8       3        0.119053    2.000000   (2.9E-05)
      7       5        0.120778    2.000000   (2.5E-05)
      8       5        0.120863    2.000000   (2.3E-05)
      8       2        0.137994    2.000000   (1.0E-05)
      6       1        0.148510    2.000000   (1.1E-06)
      7       1        0.148633    2.000000   (2.1E-06)
      8       1        0.148633    2.000000   (2.1E-06)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%---%----------------
------------------------%----------------------%-%---%----%-----------
------------------------%----------------------%-%---%----%-----------
------------------------%%---------------------%-%---%----%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%---%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%---%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%---%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     5:         42.37
**********************************************************************



*********************** SCF CYCLE ITER #    6 ************************
 etot  = -1.58636450E+01 abs_ev   =  4.61E-04 rel_ev   =  7.87E-04
 ediff =        6.43E-04 abs_dens =  9.63E-04 rel_dens =  6.02E-05
Matrix vector products:   3651
Converged eigenvectors:     43

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.289393    2.000000   (6.9E-07)
      1       3       -0.279368    2.000000   (1.0E-06)
      1       2       -0.269538    2.000000   (8.8E-07)
      1       5       -0.259995    2.000000   (9.4E-07)
      1       8       -0.249650    2.000000   (8.8E-07)
      2       8       -0.249650    2.000000   (5.7E-07)
      1       4       -0.249649    2.000000   (8.3E-07)
      1       6       -0.240531    2.000000   (7.6E-07)

  [output of 127 eigenvalues skipped: maximum error = 2.2E-05]

      8      15        0.104871    2.000000   (7.9E-07)
      7       3        0.119085    2.000000   (3.9E-06)
      8       3        0.119085    2.000000   (5.1E-06)
      7       5        0.120811    2.000000   (3.3E-06)
      8       5        0.120897    2.000000   (2.9E-06)
      8       2        0.138031    2.000000   (1.2E-06)
      6       1        0.148546    2.000000   (8.6E-07)
      7       1        0.148670    2.000000   (7.8E-07)
      8       1        0.148670    2.000000   (7.8E-07)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%---%----------------
------------------------%----------------------%-%---%----%-----------
------------------------%----------------------%-%---%----%-----------
------------------------%%---------------------%-%---%----%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%---%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%---%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%---%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     6:         40.38
**********************************************************************



*********************** SCF CYCLE ITER #    7 ************************
 etot  = -1.58638980E+01 abs_ev   =  1.91E-04 rel_ev   =  3.26E-04
 ediff =       -2.53E-04 abs_dens =  3.29E-04 rel_dens =  2.05E-05
Matrix vector products:   3134
Converged eigenvectors:     85

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.289404    2.000000   (9.5E-07)
      1       3       -0.279379    2.000000   (7.8E-07)
      1       2       -0.269549    2.000000   (7.5E-07)
      1       5       -0.260006    2.000000   (8.9E-07)
      1       8       -0.249662    2.000000   (9.2E-07)
      2       8       -0.249662    2.000000   (9.1E-07)
      1       4       -0.249660    2.000000   (9.8E-07)
      1       6       -0.240543    2.000000   (9.8E-07)

  [output of 127 eigenvalues skipped: maximum error = 4.4E-06]

      8      15        0.104857    2.000000   (9.7E-07)
      7       3        0.119072    2.000000   (1.8E-06)
      8       3        0.119072    2.000000   (1.1E-06)
      7       5        0.120796    2.000000   (8.9E-07)
      8       5        0.120884    2.000000   (2.1E-06)
      8       2        0.138016    2.000000   (9.2E-07)
      6       1        0.148530    2.000000   (9.7E-07)
      7       1        0.148655    2.000000   (7.7E-07)
      8       1        0.148655    2.000000   (7.7E-07)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%---%----------------
------------------------%----------------------%-%---%----%-----------
------------------------%----------------------%-%---%----%-----------
------------------------%%---------------------%-%---%----%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%---%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%---%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%---%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     7:         35.95
**********************************************************************



*********************** SCF CYCLE ITER #    8 ************************
 etot  = -1.58639029E+01 abs_ev   =  4.01E-06 rel_ev   =  6.84E-06
 ediff =       -4.89E-06 abs_dens =  4.83E-06 rel_dens =  3.02E-07
Matrix vector products:    547
Converged eigenvectors:    144

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.289404    2.000000   (8.0E-07)
      1       3       -0.279379    2.000000   (6.6E-07)
      1       2       -0.269549    2.000000   (6.8E-07)
      1       5       -0.260006    2.000000   (6.6E-07)
      1       8       -0.249662    2.000000   (5.0E-07)
      2       8       -0.249662    2.000000   (3.4E-07)
      1       4       -0.249660    2.000000   (3.9E-07)
      1       6       -0.240543    2.000000   (6.4E-07)

  [output of 127 eigenvalues skipped: maximum error = 1.0E-06]

      8      15        0.104857    2.000000   (4.3E-07)
      7       3        0.119072    2.000000   (7.7E-07)
      8       3        0.119072    2.000000   (8.9E-07)
      7       5        0.120796    2.000000   (5.4E-07)
      8       5        0.120883    2.000000   (8.2E-07)
      8       2        0.138016    2.000000   (5.0E-07)
      6       1        0.148530    2.000000   (6.5E-07)
      7       1        0.148654    2.000000   (2.7E-07)
      8       1        0.148654    2.000000   (2.7E-07)

Density of states:

-------------------------------------------------%--------------------
------------------------%----------------------%-%--------------------
------------------------%----------------------%-%---%----------------
------------------------%----------------------%-%---%----%-----------
------------------------%----------------------%-%---%----%-----------
------------------------%%---------------------%-%---%----%--%%-------
------------------------%%------%--------------%-%---%--%-%--%%-------
------------%-----------%%------%----%---------%-%---%%-%-%--%%-------
------%-----%-%-%-------%%------%----%------%--%%%---%%%%-%-%%%------%
------%--%--%%%%%%------%%---%%-%--%-%%-----%--%%%---%%%%-%-%%%-%%---%
                                                                     ^


Elapsed time for SCF step     8:          9.42
**********************************************************************

Info: SCF converged in    8 iterations

Info: Writing output to static/

             Calculation ended on 2018/02/12 at 16:19:39

                        Walltime:  05m 18.732s

Octopus emitted 11 warnings.

Octopus used 2 experimental features:

  Since you used one or more experimental features, results are likely
  wrong and should not  be considered as valid scientific data.  Check

  http://octopus-code.org/experimental_features

  or contact the octopus developers for details.

