    <><><><><><><><><><><><><><><><><><><><><><><><><><><><><><><>
                                ___
                             .-'   `'.
                            /         \
                            |         ;
                            |         |           ___.--,
                   _.._     |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                : 16.0
Commit                 : a2bd91f071
Configuration time     : 2025-04-03T13:41:02
Configuration options  :  mpi libxc_fxc libxc_kxc
Optional libraries     : cgal metis
Architecture           : x86_64
C compiler             : /usr/bin/cc
C compiler flags       : -O3 -g
C++ compiler           : /usr/bin/c++
C++ compiler flags     : -O3 -g
Fortran compiler       : /usr/bin/gfortran (GCC version 12.2.0)
Fortran compiler flags : -march=native -O3 -g -fno-var-tracking-assignments -ffree-line-length-none -ffree-line-length-none

          The octopus is swimming in cfelm-pcx65043 (Linux)


            Calculation started on 2025/04/03 at 22:58:41


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

Input: [SpinComponents = unpolarized]

******************************* Space ********************************
Octopus will run in 3 dimension(s).
Octopus will treat the system as periodic in 3 dimension(s).
**********************************************************************

Input: [AllElectronType = no]
Input: [PseudopotentialSet = standard]
Reading Coordinates from ReducedCoordinates block

****************************** Species *******************************
  Species 'Si'
    type             : pseudopotential
    file             : '/opt/octopus/share/octopus/pseudopotentials/PSF/Si.psf'
    file format      : PSF
    valence charge   : 4.0
    atomic number    :  14
    form on file     : semilocal
    orbital origin   : calculated
    lmax             : 2
    llocal           : 0
    projectors per l : 1
    total projectors : 2
    application form : kleinman-bylander
    orbitals         : 16
    bound orbitals   :  4

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


***************************** Symmetries *****************************
Space group No.  227
International: Fd-3m
Schoenflies: Oh^7
Info: The system has    24 symmorphic symmetries that can be used.
  Index                Rotation matrix                      Fractional translations
    1 :     1   0   0     0   1   0     0   0   1      0.000000    0.000000    0.000000
    2 :     0   1  -1     1   0  -1     0   0  -1      0.000000    0.000000    0.000000
    3 :    -1   0   0    -1   0   1    -1   1   0      0.000000    0.000000    0.000000
    4 :     0  -1   1     0  -1   0     1  -1   0      0.000000    0.000000    0.000000
    5 :     0   1   0     0   0   1     1   0   0      0.000000    0.000000    0.000000
    6 :    -1   0   1    -1   1   0    -1   0   0      0.000000    0.000000    0.000000
    7 :     0  -1   0     1  -1   0     0  -1   1      0.000000    0.000000    0.000000
    8 :     1   0  -1     0   0  -1     0   1  -1      0.000000    0.000000    0.000000
    9 :     0   0   1     1   0   0     0   1   0      0.000000    0.000000    0.000000
   10 :     1  -1   0     0  -1   1     0  -1   0      0.000000    0.000000    0.000000
   11 :     0   0  -1     0   1  -1     1   0  -1      0.000000    0.000000    0.000000
   12 :    -1   1   0    -1   0   0    -1   0   1      0.000000    0.000000    0.000000
   13 :    -1   0   1    -1   0   0    -1   1   0      0.000000    0.000000    0.000000
   14 :     0  -1   0     0  -1   1     1  -1   0      0.000000    0.000000    0.000000
   15 :     0   1   0     1   0   0     0   0   1      0.000000    0.000000    0.000000
   16 :     1   0  -1     0   1  -1     0   0  -1      0.000000    0.000000    0.000000
   17 :     1  -1   0     0  -1   0     0  -1   1      0.000000    0.000000    0.000000
   18 :     0   0  -1     1   0  -1     0   1  -1      0.000000    0.000000    0.000000
   19 :     0   0   1     0   1   0     1   0   0      0.000000    0.000000    0.000000
   20 :    -1   1   0    -1   0   1    -1   0   0      0.000000    0.000000    0.000000
   21 :     0   1  -1     0   0  -1     1   0  -1      0.000000    0.000000    0.000000
   22 :    -1   0   0    -1   1   0    -1   0   1      0.000000    0.000000    0.000000
   23 :     1   0   0     0   0   1     0   1   0      0.000000    0.000000    0.000000
   24 :     0  -1   1     1  -1   0     0  -1   0      0.000000    0.000000    0.000000
Info: The system also has    24 nonsymmorphic symmetries (not used for electrons).
    1 :     1   0  -1     1   0   0     1  -1   0      0.250000    0.250000    0.250000
    2 :     0   1   0     0   1  -1    -1   1   0      0.250000    0.250000    0.250000
    3 :     0  -1   0    -1   0   0     0   0  -1      0.250000    0.250000    0.250000
    4 :    -1   0   1     0  -1   1     0   0   1      0.250000    0.250000    0.250000
    5 :    -1   1   0     0   1   0     0   1  -1      0.250000    0.250000    0.250000
    6 :     0   0   1    -1   0   1     0  -1   1      0.250000    0.250000    0.250000
    7 :     0   0  -1     0  -1   0    -1   0   0      0.250000    0.250000    0.250000
    8 :     1  -1   0     1   0  -1     1   0   0      0.250000    0.250000    0.250000
    9 :     0  -1   1     0   0   1    -1   0   1      0.250000    0.250000    0.250000
   10 :     1   0   0     1  -1   0     1   0  -1      0.250000    0.250000    0.250000
   11 :    -1   0   0     0   0  -1     0  -1   0      0.250000    0.250000    0.250000
   12 :     0   1  -1    -1   1   0     0   1   0      0.250000    0.250000    0.250000
   13 :    -1   0   0     0  -1   0     0   0  -1      0.250000    0.250000    0.250000
   14 :     0  -1   1    -1   0   1     0   0   1      0.250000    0.250000    0.250000
   15 :     1   0   0     1   0  -1     1  -1   0      0.250000    0.250000    0.250000
   16 :     0   1  -1     0   1   0    -1   1   0      0.250000    0.250000    0.250000
   17 :     0  -1   0     0   0  -1    -1   0   0      0.250000    0.250000    0.250000
   18 :     1   0  -1     1  -1   0     1   0   0      0.250000    0.250000    0.250000
   19 :     0   1   0    -1   1   0     0   1  -1      0.250000    0.250000    0.250000
   20 :    -1   0   1     0   0   1     0  -1   1      0.250000    0.250000    0.250000
   21 :     0   0  -1    -1   0   0     0  -1   0      0.250000    0.250000    0.250000
   22 :    -1   1   0     0   1  -1     0   1   0      0.250000    0.250000    0.250000
   23 :     0   0   1     0  -1   1    -1   0   1      0.250000    0.250000    0.250000
   24 :     1  -1   0     1   0   0     1   0  -1      0.250000    0.250000    0.250000
**********************************************************************

Input: [CurvMethod = curv_affine]
Input: [DerivativesStencil = stencil_stargeneral]

****************************** Lattice *******************************
  Lattice Vectors [b]
    0.000000    5.090000    5.090000
    5.090000    0.000000    5.090000
    5.090000    5.090000    0.000000
  Cell volume =           263.7445 [b^3]
  Reciprocal-Lattice Vectors [b^-1]
   -0.617209    0.617209    0.617209
    0.617209   -0.617209    0.617209
    0.617209    0.617209   -0.617209
  Cell angles [degree]
    alpha =   60.000
    beta  =   60.000
    gamma =   60.000
**********************************************************************

Checking if the generated full k-point grid is symmetric

     2 k-points generated from parameters :
 ---------------------------------------------------
    n =    2    2    2

    s1  =  0.50  0.50  0.50

    s2  =  0.50  0.00  0.00

    s3  =  0.00  0.50  0.00

    s4  =  0.00  0.00  0.50

   index |      weight  |             coordinates              |
       1 |     0.250000 |    0.250000    0.000000    0.000000  |
       2 |     0.750000 |   -0.250000    0.250000    0.250000  |

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

******************************* States *******************************
Total electronic charge  =        8.000
Number of states         =        8
States block-size        =        4
**********************************************************************


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

******************************** Grid ********************************
Simulation Box:
  Type = parallelepiped
  Lengths [b] = (   7.198,   7.198,   7.198)
Main mesh:
  Spacing [b] = ( 0.514, 0.514, 0.514)    volume/point [b^3] =      0.09612
  # inner mesh =       2744
  # total mesh =       9192
  Grid Cutoff [H] =    18.666387    Grid Cutoff [Ry] =    37.332774
**********************************************************************

Info: states-block size = 0.3 MiB
Input: [StatesPack = yes]
Input: [StatesOrthogonalization = cholesky_serial]
Info: the XCFunctional has been selected to match the pseudopotentials
      used in the calculation.

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

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)

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


****************************** Hartree *******************************
Input: [DressedOrbitals = no]
The chosen Poisson solver is 'fast Fourier transform'
Input: [PoissonFFTKernel = fft_nocut]
**********************************************************************

Info: FFT grid dimensions       = 14 x 14 x 14
      Total grid size           = 2744 (      0.0 MiB )
Input: [FilterPotentials = filter_TS]
Info: Pseudopotential for Si
  Radii for localized parts:
    local part     =  2.9 b
    non-local part =  2.6 b
    orbitals       = 10.8 b

Input: [RelativisticCorrection = non_relativistic]
Input: [DFTULevel = dft_u_none]
Input: [MagneticConstrain = 0]

****************** Approximate memory requirements *******************
Mesh
  global  :       0.1 MiB
  local   :       0.3 MiB
  total   :       0.4 MiB

States
  real    :       1.1 MiB (par_kpoints + par_states + par_domains)
  complex :       2.2 MiB (par_kpoints + par_states + par_domains)

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

Info: Generating external potential
      done.
Input: [InteractionTiming = timing_exact]
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.
Info: Could not find 'restart/gs' directory for restart.
Info: No restart information will be read.

**************************** Eigensolver *****************************
Input: [Eigensolver = chebyshev_filter]
Input: [SubspaceDiagonalization = standard]
**********************************************************************

Input: [MixField = potential] (what to mix during SCF cycles)
Input: [MixingScheme = broyden]
Info: Mixing uses    4 steps and restarts after   20 steps.
Input: [LCAOStart = lcao_states]
Input: [LCAOScaleFactor = 1.000]
Input: [LCAOMaximumOrbitalRadius = 20.00 b]
Info: Unnormalized total charge =      8.006197
Info: Renormalized total charge =      8.000000
Info: Setting up Hamiltonian.
Info: Performing initial LCAO calculation with      8 orbitals.
Info: Getting Hamiltonian matrix elements.
ETA: .......1......2.......3......4......5.......6......7.......8......9......0

Eigenvalues [H]
 #st  Spin   Eigenvalue      Occupation
#k =       1, k = (  0.250000,  0.000000,  0.000000)
   1   --    -0.261842       2.000000
   2   --     0.048488       2.000000
   3   --     0.162290       2.000000
   4   --     0.162290       2.000000
   5   --     0.309501       0.000000
   6   --     0.328997       0.000000
   7   --     0.328997       0.000000
   8   --     0.454242       0.000000
#k =       2, k = ( -0.250000,  0.250000,  0.250000)
   1   --    -0.172270       2.000000
   2   --    -0.001396       2.000000
   3   --     0.134556       2.000000
   4   --     0.192425       2.000000
   5   --     0.387502       0.000000
   6   --     0.481309       0.000000
   7   --     0.529010       0.000000
   8   --     0.679488       0.000000
Info: Ground-state restart information will be written to 'restart/gs'.
Info: SCF using complex wavefunctions.
Info: Starting SCF iteration.

*********************** SCF CYCLE ITER #    1 ************************
 etot  = -8.11473948E+00 abs_ev   =  6.69E-01 rel_ev   =  1.74E+00
 ediff =        8.11E+00 abs_dens =  1.49E+00 rel_dens =  1.87E-01
Matrix vector products:     50
Converged eigenvectors:      3

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.273202    2.000000   ( 7.0E-10)
      1       2       -0.202645    2.000000   ( 3.5E-09)
      2       2       -0.097031    2.000000   ( 8.5E-08)
      2       1       -0.006384    2.000000   ( 4.0E-07)
      3       2        0.009113    2.000000   ( 1.2E-06)
      4       2        0.056216    2.000000   ( 4.8E-07)
      3       1        0.107664    2.000000   ( 2.0E-06)
      4       1        0.107664    2.000000   ( 2.0E-06)
      5       2        0.201566    0.000000   ( 4.3E-05)
      5       1        0.218457    0.000000   ( 4.6E-05)
      6       1        0.272565    0.000000   ( 5.0E-05)
      7       1        0.272565    0.000000   ( 5.0E-05)
      6       2        0.307511    0.000000   ( 2.3E-03)
      7       2        0.353411    0.000000   ( 9.0E-03)
      8       2        0.364487    0.000000   ( 2.8E-02)
      8       1        0.407588    0.000000   ( 5.2E-01)

Density of states:

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


Elapsed time for SCF step     1:          0.11
**********************************************************************


*********************** SCF CYCLE ITER #    2 ************************
 etot  = -8.03831705E+00 abs_ev   =  5.62E-02 rel_ev   =  1.72E-01
 ediff =        7.64E-02 abs_dens =  1.03E-01 rel_dens =  1.29E-02
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.266613    2.000000   ( 1.1E-04)
      1       2       -0.195342    2.000000   ( 1.9E-04)
      2       2       -0.089749    2.000000   ( 2.5E-04)
      2       1        0.000666    2.000000   ( 3.6E-04)
      3       2        0.014851    2.000000   ( 3.3E-04)
      4       2        0.063309    2.000000   ( 5.0E-04)
      3       1        0.115909    2.000000   ( 5.6E-04)
      4       1        0.115909    2.000000   ( 5.6E-04)
      5       2        0.204583    0.000000   ( 1.0E-03)
      5       1        0.224033    0.000000   ( 9.6E-04)
      6       1        0.277578    0.000000   ( 1.2E-03)
      7       1        0.277578    0.000000   ( 1.2E-03)
      6       2        0.311667    0.000000   ( 2.9E-03)
      7       2        0.359869    0.000000   ( 9.0E-03)
      8       2        0.369574    0.000000   ( 2.7E-02)
      8       1        0.410192    0.000000   ( 4.2E-01)

Density of states:

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


Elapsed time for SCF step     2:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #    3 ************************
 etot  = -7.92581170E+00 abs_ev   =  8.28E-02 rel_ev   =  3.38E-01
 ediff =        1.13E-01 abs_dens =  1.55E-01 rel_dens =  1.94E-02
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.256925    2.000000   ( 1.7E-04)
      1       2       -0.184566    2.000000   ( 3.1E-04)
      2       2       -0.079060    2.000000   ( 4.1E-04)
      2       1        0.011007    2.000000   ( 5.6E-04)
      3       2        0.023282    2.000000   ( 5.3E-04)
      4       2        0.073773    2.000000   ( 8.3E-04)
      3       1        0.128128    2.000000   ( 9.2E-04)
      4       1        0.128128    2.000000   ( 9.2E-04)
      5       2        0.208913    0.000000   ( 1.5E-03)
      5       1        0.232284    0.000000   ( 1.5E-03)
      6       1        0.284991    0.000000   ( 2.1E-03)
      7       1        0.284991    0.000000   ( 2.1E-03)
      6       2        0.317835    0.000000   ( 3.6E-03)
      7       2        0.369500    0.000000   ( 1.2E-02)
      8       2        0.376661    0.000000   ( 2.6E-02)
      8       1        0.419248    0.000000   ( 3.8E-01)

Density of states:

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


Elapsed time for SCF step     3:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #    4 ************************
 etot  = -7.93059898E+00 abs_ev   =  2.77E-03 rel_ev   =  1.12E-02
 ediff =        4.79E-03 abs_dens =  1.05E-02 rel_dens =  1.31E-03
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257270    2.000000   ( 3.8E-05)
      1       2       -0.184970    2.000000   ( 5.9E-05)
      2       2       -0.079453    2.000000   ( 8.5E-05)
      2       1        0.010645    2.000000   ( 1.1E-04)
      3       2        0.023039    2.000000   ( 1.3E-04)
      4       2        0.073459    2.000000   ( 1.8E-04)
      3       1        0.127741    2.000000   ( 2.0E-04)
      4       1        0.127741    2.000000   ( 2.0E-04)
      5       2        0.208793    0.000000   ( 3.7E-04)
      5       1        0.231873    0.000000   ( 3.3E-04)
      6       1        0.284743    0.000000   ( 5.3E-04)
      7       1        0.284743    0.000000   ( 5.3E-04)
      6       2        0.317654    0.000000   ( 1.6E-03)
      7       2        0.368992    0.000000   ( 9.6E-03)
      8       2        0.375686    0.000000   ( 2.2E-02)
      8       1        0.416174    0.000000   ( 3.0E-01)

Density of states:

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


Elapsed time for SCF step     4:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #    5 ************************
 etot  = -7.92913240E+00 abs_ev   =  1.00E-03 rel_ev   =  4.07E-03
 ediff =        1.47E-03 abs_dens =  2.43E-03 rel_dens =  3.04E-04
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257152    2.000000   ( 1.9E-06)
      1       2       -0.184838    2.000000   ( 4.4E-06)
      2       2       -0.079323    2.000000   ( 6.9E-06)
      2       1        0.010771    2.000000   ( 1.1E-05)
      3       2        0.023140    2.000000   ( 1.3E-05)
      4       2        0.073585    2.000000   ( 2.4E-05)
      3       1        0.127889    2.000000   ( 2.8E-05)
      4       1        0.127889    2.000000   ( 2.8E-05)
      5       2        0.208844    0.000000   ( 7.7E-05)
      5       1        0.231977    0.000000   ( 6.0E-05)
      6       1        0.284833    0.000000   ( 1.4E-04)
      7       1        0.284833    0.000000   ( 1.4E-04)
      6       2        0.317727    0.000000   ( 7.4E-04)
      7       2        0.369068    0.000000   ( 8.1E-03)
      8       2        0.375334    0.000000   ( 1.9E-02)
      8       1        0.415009    0.000000   ( 2.5E-01)

Density of states:

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


Elapsed time for SCF step     5:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #    6 ************************
 etot  = -7.92937530E+00 abs_ev   =  1.74E-04 rel_ev   =  7.05E-04
 ediff =        2.43E-04 abs_dens =  3.82E-04 rel_dens =  4.78E-05
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257172    2.000000   ( 2.9E-07)
      1       2       -0.184860    2.000000   ( 6.5E-07)
      2       2       -0.079345    2.000000   ( 9.5E-07)
      2       1        0.010749    2.000000   ( 1.4E-06)
      3       2        0.023122    2.000000   ( 1.6E-06)
      4       2        0.073563    2.000000   ( 3.1E-06)
      3       1        0.127863    2.000000   ( 4.1E-06)
      4       1        0.127863    2.000000   ( 4.1E-06)
      5       2        0.208835    0.000000   ( 1.5E-05)
      5       1        0.231961    0.000000   ( 9.5E-06)
      6       1        0.284817    0.000000   ( 3.3E-05)
      7       1        0.284817    0.000000   ( 3.3E-05)
      6       2        0.317714    0.000000   ( 3.3E-04)
      7       2        0.369018    0.000000   ( 6.8E-03)
      8       2        0.375000    0.000000   ( 1.6E-02)
      8       1        0.414192    0.000000   ( 2.1E-01)

Density of states:

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


Elapsed time for SCF step     6:          0.03
**********************************************************************


*********************** SCF CYCLE ITER #    7 ************************
 etot  = -7.92920424E+00 abs_ev   =  1.16E-04 rel_ev   =  4.72E-04
 ediff =        1.71E-04 abs_dens =  2.94E-04 rel_dens =  3.68E-05
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257158    2.000000   ( 3.0E-07)
      1       2       -0.184844    2.000000   ( 5.5E-07)
      2       2       -0.079329    2.000000   ( 6.8E-07)
      2       1        0.010764    2.000000   ( 9.3E-07)
      3       2        0.023133    2.000000   ( 9.8E-07)
      4       2        0.073577    2.000000   ( 1.5E-06)
      3       1        0.127880    2.000000   ( 1.8E-06)
      4       1        0.127880    2.000000   ( 1.8E-06)
      5       2        0.208840    0.000000   ( 4.7E-06)
      5       1        0.231975    0.000000   ( 3.7E-06)
      6       1        0.284828    0.000000   ( 1.1E-05)
      7       1        0.284828    0.000000   ( 1.1E-05)
      6       2        0.317722    0.000000   ( 1.5E-04)
      7       2        0.369012    0.000000   ( 5.9E-03)
      8       2        0.374780    0.000000   ( 1.4E-02)
      8       1        0.413689    0.000000   ( 1.8E-01)

Density of states:

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


Elapsed time for SCF step     7:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #    8 ************************
 etot  = -7.92929977E+00 abs_ev   =  6.82E-05 rel_ev   =  2.77E-04
 ediff =        9.55E-05 abs_dens =  1.43E-04 rel_dens =  1.79E-05
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257166    2.000000   ( 1.1E-07)
      1       2       -0.184853    2.000000   ( 2.4E-07)
      2       2       -0.079338    2.000000   ( 2.9E-07)
      2       1        0.010755    2.000000   ( 4.0E-07)
      3       2        0.023126    2.000000   ( 3.6E-07)
      4       2        0.073568    2.000000   ( 5.9E-07)
      3       1        0.127870    2.000000   ( 6.9E-07)
      4       1        0.127870    2.000000   ( 6.9E-07)
      5       2        0.208837    0.000000   ( 1.6E-06)
      5       1        0.231968    0.000000   ( 9.0E-07)
      6       1        0.284822    0.000000   ( 2.3E-06)
      7       1        0.284822    0.000000   ( 2.3E-06)
      6       2        0.317717    0.000000   ( 6.9E-05)
      7       2        0.368988    0.000000   ( 5.1E-03)
      8       2        0.374600    0.000000   ( 1.3E-02)
      8       1        0.413323    0.000000   ( 1.5E-01)

Density of states:

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


Elapsed time for SCF step     8:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #    9 ************************
 etot  = -7.92930437E+00 abs_ev   =  3.67E-06 rel_ev   =  1.49E-05
 ediff =        4.60E-06 abs_dens =  5.22E-06 rel_dens =  6.53E-07
Matrix vector products:     50
Converged eigenvectors:      8

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257166    2.000000   ( 6.5E-09)
      1       2       -0.184854    2.000000   ( 1.5E-08)
      2       2       -0.079338    2.000000   ( 2.1E-08)
      2       1        0.010755    2.000000   ( 2.9E-08)
      3       2        0.023126    2.000000   ( 3.5E-08)
      4       2        0.073568    2.000000   ( 5.9E-08)
      3       1        0.127870    2.000000   ( 8.0E-08)
      4       1        0.127870    2.000000   ( 8.0E-08)
      5       2        0.208837    0.000000   ( 2.4E-07)
      5       1        0.231968    0.000000   ( 1.5E-07)
      6       1        0.284821    0.000000   ( 5.5E-07)
      7       1        0.284821    0.000000   ( 5.5E-07)
      6       2        0.317717    0.000000   ( 3.1E-05)
      7       2        0.368976    0.000000   ( 4.4E-03)
      8       2        0.374469    0.000000   ( 1.1E-02)
      8       1        0.413071    0.000000   ( 1.3E-01)

Density of states:

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


Elapsed time for SCF step     9:          0.02
**********************************************************************


*********************** SCF CYCLE ITER #   10 ************************
 etot  = -7.92930513E+00 abs_ev   =  5.87E-07 rel_ev   =  2.38E-06
 ediff =        7.63E-07 abs_dens =  9.08E-07 rel_dens =  1.14E-07
Matrix vector products:     50
Converged eigenvectors:      0

#  State  KPoint  Eigenvalue [H]  Occupation    Error
      1       1       -0.257166    2.000000   ( 1.5E-07)
      1       2       -0.184854    2.000000   ( 1.4E-07)
      2       2       -0.079338    2.000000   ( 1.4E-07)
      2       1        0.010755    2.000000   ( 1.6E-07)
      3       2        0.023126    2.000000   ( 1.5E-07)
      4       2        0.073568    2.000000   ( 1.7E-07)
      3       1        0.127870    2.000000   ( 2.0E-07)
      4       1        0.127870    2.000000   ( 2.0E-07)
      5       2        0.208837    0.000000   ( 9.1E-08)
      5       1        0.231967    0.000000   ( 1.5E-07)
      6       1        0.284821    0.000000   ( 2.5E-07)
      7       1        0.284821    0.000000   ( 2.5E-07)
      6       2        0.317717    0.000000   ( 1.5E-05)
      7       2        0.368948    0.000000   ( 2.0E-03)
      8       2        0.374076    0.000000   ( 4.8E-03)
      8       1        0.412807    0.000000   ( 1.0E-01)

Density of states:

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


Elapsed time for SCF step    10:          0.01
**********************************************************************


             Info: Writing states. 2025/04/03 at 22:58:42


        Info: Finished writing states. 2025/04/03 at 22:58:42

Info: SCF converged in   10 iterations

Info: Number of matrix-vector products:        500
Info: Writing output to static/
Info: Finished writing information to 'restart/gs'.

             Calculation ended on 2025/04/03 at 22:58:42

                          Walltime:  00.788s

Octopus emitted 14 warnings.
