##############################################################################
                              Environment setting
##############################################################################

 Job setting:
    
    Call arguments   are    --cpp --inp=4c --nt=4 --scratch=/scratch 
    Input file name   is   4c.inp
    Binary  directory is   /home/repisky/devel/ReSpect/build_omp
    Work    directory is   /home/repisky/devel/ReSpect/build_omp/tutorial/cpp/uvvis-eas/
    Scratch directory is   /scratch/tmp43987.ir4mp224.repisky
    Machine name      is   
    OMP stack memory size  512m
    OMP parallel job with  4 threads
    Output  file will be   /home/repisky/devel/ReSpect/build_omp/tutorial/cpp/uvvis-eas/4c.out_cpp


 System setting:

    core file size          (blocks, -c) 0
    data seg size           (kbytes, -d) unlimited
    scheduling priority             (-e) 0
    file size               (blocks, -f) unlimited
    pending signals                 (-i) 62844
    max locked memory       (kbytes, -l) 65536
    max memory size         (kbytes, -m) unlimited
    open files                      (-n) 1024
    pipe size            (512 bytes, -p) 8
    POSIX message queues     (bytes, -q) 819200
    real-time priority              (-r) 0
    stack size              (kbytes, -s) unlimited
    cpu time               (seconds, -t) unlimited
    max user processes              (-u) 62844
    virtual memory          (kbytes, -v) unlimited
    file locks                      (-x) unlimited
    omp_thread_limit:
    omp_stacksize:512m
    

##############################################################################
                               Program ReSpect
##############################################################################
::

 Version:       5.2.0 (2022)
 Released:      beta (in testing period)

 Branch:        master-web
 Commit hash:   075a29ab0
 Commit author: Michal Repisky
 Commit date:   Wed Apr 10 18:06:10 2024 +0200

 Webpage:       http://www.respectprogram.org 
 Copyright:     ReSpect is distributed as proprietary software at no cost
                and is currently available as OpenMP parallel static binaries
                for Linux OS and x86_64 architecture at the program webpage.
                The program is limited to non-commercial, academic, and non-profit
                private use and its further copy and redistribution is not permitted.
                The specific terms of use are available at:
                http://www.respectprogram.org/download.html.
                The program is distributed AS IS in a hope it becomes useful.
                The experimental nature of the program means that authors accept
                no responsibility for the correctness of results nor fitness for
                a particular purpose.

 Reference(s):  If results obtained with ReSpect are published in the scientific
                literature or publicly accessible reports, the users shall reference
                the program as:

                ReSpect: Relativistic Spectroscopy DFT Program Package
                M. Repisky, S. Komorovsky, M. Kadek, L. Konecny, U. Ekstrom,
                E. Malkin, M. Kaupp, K. Ruud, O. L. Malkina, and V. G. Malkin,
                J. Chem. Phys. 152, 184101 (2020) [DOI: https://doi.org/10.1063/5.0005094]
                Version: 5.2.0 (2022), Program webpage: http://www.respectprogram.org

                Using specific theoretical methods included in ReSpect may require citing
                additional articles, as described in this output file as "REQUIRED REFERENCES".


 -------
 Authors
 -------
 Repisky Michal
 Komorovsky Stanislav


 --------
 Founders
 --------
 Ruud Kenneth
 Kaupp Martin
 Malkina Olga L.
 Malkin Vladimir G.


 ------------
 Contributors
 ------------
 Bast Radovan         - AutoCMake library
 Di Remigio Roberto   - PCMSolver library
 Ekstrom Ulf          - XCFun library
 Joosten Marc         - NQCC/EFG library
 Kadek Marius         - real-time TDDFT library
                      - solid-state pSCF library
 Knecht Stefan        - pilot MPI parallelization
 Konecny Lukas        - real-time TDDFT (RT-TDDFT) library
                      - damped-response TDDFT (DR-TDDFT) library
 Malkin Elena         - one-component molecular properties
                      - finite size nucleus and magnetic moment models
 Malkin-Ondik Irina   - Douglas-Kroll-Hess (DKH) Hamiltonians




##############################################################################
                    Configuration, build, and runtime info
##############################################################################
::

 -----------------------------------
 Configuration and build information
 -----------------------------------

 Who compiled           | repisky
 Compiled on server     | 
 Operating system       | Linux-5.15.0-92-generic
 CMake version          | 3.16.3
 CMake generator        | Unix Makefiles
 CMake build type       | release
 Configuration time     | 2024-04-11 09:13:53.528517
 Python version         | 3.9.1
 Fortran compiler       | /opt/intel/oneapi/2023.1/compiler/2023.1.0/linux/bin/intel64/ifort
 Fortran compiler flags |  -w -fpp -assume byterecl -qopenmp -w -fpp -assume byterecl -qopenmp -O2 -march=native -xW -ip
 C compiler             | /opt/intel/oneapi/2023.1/compiler/2023.1.0/linux/bin/intel64/icc
 C compiler flags       |  -g -wd981 -wd279 -wd383 -wd1572 -wd1777 -restrict -DRESTRICT=restrict -qopenmp -g -wd981 -wd279 -wd383 -wd1572 -wd1777 -restrict -DRESTRICT=restrict -qopenmp -O2 -ip
 C++ compiler           | /opt/intel/oneapi/2023.1/compiler/2023.1.0/linux/bin/intel64/icpc
 C++ compiler flags     |  -Wno-unknown-pragmas -fno-exceptions -qopenmp -Wno-unknown-pragmas -fno-exceptions -qopenmp -O3
 Static linking         | False
 MPI parallelization    | False
 OMP parallelization    | True
 Math libraries         | unknown
 Explicit libraries     | unknown


 ------------
 Runtime info
 ------------

 Parallelization model: OpenMP
   Master process has 4 threads of total 8

 Initial time:
   11:14:52, 11 April, 2024


##############################################################################
                            Input processing info
##############################################################################
::

 ----------
 Input file
 ----------

 cpp:
     property:      eas
     maxiterations: 30
     convergence:   1.0e-4
 
     units:       ev
     damping:     0.1
     frequencies: 9.0 21x0.1  #21 frequency points with step 0.1 starting from 9.0 eV


 ----------------
 Input processing
 ----------------

 ... type of property: EAS

 ... maximum number of iterations: 30

 ... convergence criterion:   1.00E-04

 ... units of frequancies and damping parameter (if present): eV



##############################################################################
                             REQUIRED REFERENCES
##############################################################################

 The theoretical foundation and first benchmark data of the relativistic
 four-component damped-response time-dependent DFT (DR-TDDFT) approach 
 for the calculation of electronic absorption and circular dichroism spectra
 were presented in the reference:

 [1] L. Konecny, M. Repisky, K. Ruud, and S. Komorovsky, J. Chem. Phys. 151, 194112 (2019)
     [DOI: https://doi.org/10.1063/1.5128564]

 XCFun: a library of DFT exchange-correlation functionals

 [2] U. Ekström, et al., J. Chem. Theory Comput. 6, 1971-1980 (2010)
     [DOI: https://doi.org/10.1021/ct100117s]


##############################################################################
                                Initialization
##############################################################################
::

 Initialize modules necessary for calculation of your property.



##############################################################################
                                  Input data
##############################################################################
::

 -----------------------------------------------------------------------------
                    4-component linear response calculation
 -----------------------------------------------------------------------------
    Coupled perturbation theory:
    DFT kernel is calculated analytically
      using PBE0 functional 
        with amount of HF exchange =   0.25
     Solving the linear response equation using SUBSPACE solver. 
    Maximum number of scf cycles =   30
    Convergence criterion        =  1.0E-04
  Long debugging info on output

 -----------------------------------------------------------------------------
                      Periodic radiation field from input
 -----------------------------------------------------------------------------
     No.          nm             eV             au            cm^-1
       1      137.76021        9.00000        0.33074    72589.89862
       2      136.24637        9.10000        0.33442    73396.45305
       3      134.76543        9.20000        0.33809    74203.00748
       4      133.31634        9.30000        0.34177    75009.56190
       5      131.89808        9.40000        0.34544    75816.11633
       6      130.50968        9.50000        0.34912    76622.67076
       7      129.15020        9.60000        0.35279    77429.22519
       8      127.81876        9.70000        0.35647    78235.77962
       9      126.51448        9.80000        0.36014    79042.33405
      10      125.23656        9.90000        0.36382    79848.88848
      11      123.98419       10.00000        0.36749    80655.44291
      12      122.75663       10.10000        0.37117    81461.99734
      13      121.55313       10.20000        0.37484    82268.55177
      14      120.37300       10.30000        0.37852    83075.10619
      15      119.21557       10.40000        0.38219    83881.66062
      16      118.08018       10.50000        0.38587    84688.21505
      17      116.96622       10.60000        0.38954    85494.76948
      18      115.87308       10.70000        0.39322    86301.32391
      19      114.80018       10.80000        0.39689    87107.87834
      20      113.74697       10.90000        0.40057    87914.43277
      21      112.71290       11.00000        0.40424    88720.98720



 -----------------------------------------------------------------------------
                         Damping parameter from input
 -----------------------------------------------------------------------------
                  nm             eV             au            cm^-1
            12398.41930        0.10000        0.00367      806.55443

 -----------------------------------------------------------------------------
                      Common gauge origin  (in Angstroms)
 -----------------------------------------------------------------------------
  GO is in the center of charge of the system 
  GO =      0.0741724     0.0000000     0.0715024


Atomic orbital basis
--------------------
::

 atom  label     prim    cont     orbital basis set details     
 ---------------------------------------------------------------
  S      1         41      41     [12s8p1d]  ucc-pvdz
  H      2          7       7     [4s1p]     ucc-pvdz
  H      3          7       7     [4s1p]     ucc-pvdz

 Total number of           GTO shells =      31
 Total number of spherical GTO functions =   55
 Total number of cartesian GTO functions =   56



Molecular geometry [A]
----------------------
::

 atom    label                 cartesian coordinates            
 -------------------------------------------------------------- 
  S        1         0.000000         0.000000         0.000000
  H        2         0.000000         0.000000         1.336000
  H        3         1.335103         0.000000        -0.048956

 
  TwoFock setting (ERI)
  ---------------------
  number atoms:                                 3
  matrix dimension:                            56
  number GTO shells:                           31
  ERI classes (up to):                       SSSS (one-center approximation)
  ERI screening threshold:             1.0000E-10
  inverse fine-structure constant:   137.03599907
 
  DFT setting
  -----------
  number atoms:                                   3
  number matrices:                                2
  matrix dimension:                              56
  number GTO shells:                             31
  DFT XC library:                             xcfun
  DFT functional ID:                              6
  DFT noncollinearity ID:                         3
  DFT screening threshold:               1.0000E-12
  DFT regularization cutoff:             1.0000E-30
  inverse fine-structure constant:     137.03599907
  HF global exchange scaling factor:     0.25000000
  HF range-separated scaling factor:     0.00000000
  HF range-separated erf w-argument:     0.00000000
 
  DFT kernel setting
  ------------------
  number atoms:                                   3
  closed(1) or open(2) -shell:                    1
  matrix dimension:                              56
  number GTO shells:                             31
  DFT functional ID:                              6
  DFT noncollinearity ID:                         3
  DFT screening threshold:               1.0000E-12
  DFT regularization cutoff:             1.0000E-30
  inverse fine-structure constant:     137.03599907
  HF global exchange scaling factor:     0.25000000
  HF range-separated scaling factor:     0.00000000
  HF range-separated erf w-argument:     0.00000000

  Information about energy degeneracies 
  ------------------------------------- 

  Highest 4 occupied degenerate energy levels, with degeneracy    2   2   2   2

  and energies:         -0.766505      -0.456185      -0.376674      -0.269528
                        -0.766505      -0.456185      -0.376674      -0.269528
 

  Lowest 4 virtual degenerate energy levels, with degeneracy    2   2   2   2

  and energies:          0.037272       0.044101       0.276306       0.332357
                         0.037272       0.044101       0.276306       0.332357



##############################################################################
                      Linear response iterative solution
##############################################################################


=====================================================
SCF procedure of the 1. component of the perturbation
=====================================================
::

 
 Iteration    1
  - subspace structure:           12          12
  - time for integrals only: 16.0s
  - time for sigma constructions: 16.0s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   1  Frequency:   1  |res| = 2.4281743E+00   |res|/|x| = 1.2216445E-01
  Cycle:   1  Frequency:   2  |res| = 2.5410116E+00   |res|/|x| = 1.1851796E-01
  Cycle:   1  Frequency:   3  |res| = 2.6739918E+00   |res|/|x| = 1.1454456E-01
  Cycle:   1  Frequency:   4  |res| = 2.8339071E+00   |res|/|x| = 1.1017687E-01
  Cycle:   1  Frequency:   5  |res| = 3.0312391E+00   |res|/|x| = 1.0532950E-01
  Cycle:   1  Frequency:   6  |res| = 3.2831617E+00   |res|/|x| = 9.9894634E-02
  Cycle:   1  Frequency:   7  |res| = 3.6200716E+00   |res|/|x| = 9.3739476E-02
  Cycle:   1  Frequency:   8  |res| = 4.1014370E+00   |res|/|x| = 8.6714424E-02
  Cycle:   1  Frequency:   9  |res| = 4.8591800E+00   |res|/|x| = 7.8704481E-02
  Cycle:   1  Frequency:  10  |res| = 6.2206172E+00   |res|/|x| = 6.9843613E-02
  Cycle:   1  Frequency:  11  |res| = 8.6633401E+00   |res|/|x| = 6.1311766E-02
  Cycle:   1  Frequency:  12  |res| = 8.5929540E+00   |res|/|x| = 5.7596926E-02
  Cycle:   1  Frequency:  13  |res| = 6.6967292E+00   |res|/|x| = 6.7196826E-02
  Cycle:   1  Frequency:  14  |res| = 7.3759484E+00   |res|/|x| = 8.9817926E-02
  Cycle:   1  Frequency:  15  |res| = 1.0421730E+01   |res|/|x| = 1.0922924E-01
  Cycle:   1  Frequency:  16  |res| = 1.5219062E+01   |res|/|x| = 1.1446951E-01
  Cycle:   1  Frequency:  17  |res| = 1.1762244E+01   |res|/|x| = 1.0993228E-01
  Cycle:   1  Frequency:  18  |res| = 7.1889625E+00   |res|/|x| = 1.0233748E-01
  Cycle:   1  Frequency:  19  |res| = 4.9877064E+00   |res|/|x| = 9.5042801E-02
  Cycle:   1  Frequency:  20  |res| = 3.8774898E+00   |res|/|x| = 8.9275189E-02
  Cycle:   1  Frequency:  21  |res| = 3.2865883E+00   |res|/|x| = 8.5321564E-02
 
 Iteration    2
  - subspace structure:           29          29
  - time for integrals only: 26.5s
  - time for sigma constructions: 26.5s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   2  Frequency:   1  |res| = 6.0785173E-01   |res|/|x| = 2.6755769E-02
  Cycle:   2  Frequency:   2  |res| = 6.3751613E-01   |res|/|x| = 2.5838443E-02
  Cycle:   2  Frequency:   3  |res| = 6.7397739E-01   |res|/|x| = 2.4881097E-02
  Cycle:   2  Frequency:   4  |res| = 7.1909196E-01   |res|/|x| = 2.3854998E-02
  Cycle:   2  Frequency:   5  |res| = 7.7670563E-01   |res|/|x| = 2.2749872E-02
  Cycle:   2  Frequency:   6  |res| = 8.5410047E-01   |res|/|x| = 2.1569044E-02
  Cycle:   2  Frequency:   7  |res| = 9.6616024E-01   |res|/|x| = 2.0339955E-02
  Cycle:   2  Frequency:   8  |res| = 1.1477824E+00   |res|/|x| = 1.9151773E-02
  Cycle:   2  Frequency:   9  |res| = 1.4960004E+00   |res|/|x| = 1.8262501E-02
  Cycle:   2  Frequency:  10  |res| = 2.3024644E+00   |res|/|x| = 1.8369898E-02
  Cycle:   2  Frequency:  11  |res| = 3.5351643E+00   |res|/|x| = 2.0837441E-02
  Cycle:   2  Frequency:  12  |res| = 3.5312607E+00   |res|/|x| = 2.4903299E-02
  Cycle:   2  Frequency:  13  |res| = 3.7788828E+00   |res|/|x| = 2.3569568E-02
  Cycle:   2  Frequency:  14  |res| = 2.5592534E+00   |res|/|x| = 1.8579939E-02
  Cycle:   2  Frequency:  15  |res| = 1.3337912E+00   |res|/|x| = 1.4937378E-02
  Cycle:   2  Frequency:  16  |res| = 8.6340638E-01   |res|/|x| = 1.3347138E-02
  Cycle:   2  Frequency:  17  |res| = 6.0417803E-01   |res|/|x| = 1.1695052E-02
  Cycle:   2  Frequency:  18  |res| = 5.3357335E-01   |res|/|x| = 1.2095448E-02
  Cycle:   2  Frequency:  19  |res| = 5.8859124E-01   |res|/|x| = 1.4876509E-02
  Cycle:   2  Frequency:  20  |res| = 7.6860477E-01   |res|/|x| = 2.0817142E-02
  Cycle:   2  Frequency:  21  |res| = 1.1779578E+00   |res|/|x| = 3.2955492E-02
 
 Iteration    3
  - subspace structure:           49          49
  - time for integrals only: 28.0s
  - time for sigma constructions: 28.0s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   3  Frequency:   1  |res| = 6.4434661E-02   |res|/|x| = 2.8325323E-03
  Cycle:   3  Frequency:   2  |res| = 6.8150114E-02   |res|/|x| = 2.7579124E-03
  Cycle:   3  Frequency:   3  |res| = 7.2868599E-02   |res|/|x| = 2.6860379E-03
  Cycle:   3  Frequency:   4  |res| = 7.8915483E-02   |res|/|x| = 2.6144392E-03
  Cycle:   3  Frequency:   5  |res| = 8.6938786E-02   |res|/|x| = 2.5439872E-03
  Cycle:   3  Frequency:   6  |res| = 9.8139246E-02   |res|/|x| = 2.4777125E-03
  Cycle:   3  Frequency:   7  |res| = 1.1489953E-01   |res|/|x| = 2.4216425E-03
  Cycle:   3  Frequency:   8  |res| = 1.4249535E-01   |res|/|x| = 2.3870862E-03
  Cycle:   3  Frequency:   9  |res| = 1.9429807E-01   |res|/|x| = 2.3949029E-03
  Cycle:   3  Frequency:  10  |res| = 3.0605460E-01   |res|/|x| = 2.4803695E-03
  Cycle:   3  Frequency:  11  |res| = 4.6801127E-01   |res|/|x| = 2.6735250E-03
  Cycle:   3  Frequency:  12  |res| = 4.1154190E-01   |res|/|x| = 2.8158727E-03
  Cycle:   3  Frequency:  13  |res| = 4.1475652E-01   |res|/|x| = 2.6825333E-03
  Cycle:   3  Frequency:  14  |res| = 3.3878267E-01   |res|/|x| = 2.4804455E-03
  Cycle:   3  Frequency:  15  |res| = 1.4797284E-01   |res|/|x| = 1.6578820E-03
  Cycle:   3  Frequency:  16  |res| = 8.3663498E-02   |res|/|x| = 1.2973645E-03
  Cycle:   3  Frequency:  17  |res| = 7.7373135E-02   |res|/|x| = 1.5023617E-03
  Cycle:   3  Frequency:  18  |res| = 1.1501495E-01   |res|/|x| = 2.6135653E-03
  Cycle:   3  Frequency:  19  |res| = 1.6437665E-01   |res|/|x| = 4.1613220E-03
  Cycle:   3  Frequency:  20  |res| = 2.3003027E-01   |res|/|x| = 6.2323537E-03
  Cycle:   3  Frequency:  21  |res| = 2.1920679E-01   |res|/|x| = 6.1794773E-03
 
 Iteration    4
  - subspace structure:           72          71
  - time for integrals only: 31.0s
  - time for sigma constructions: 31.0s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   4  Frequency:   1  |res| = 3.5139890E-03   |res|/|x| = 1.5447150E-04
  Cycle:   4  Frequency:   2  |res| = 3.6380195E-03   |res|/|x| = 1.4722074E-04
  Cycle:   4  Frequency:   3  |res| = 3.8515141E-03   |res|/|x| = 1.4196816E-04
  Cycle:   4  Frequency:   4  |res| = 4.1636370E-03   |res|/|x| = 1.3793487E-04
  Cycle:   4  Frequency:   5  |res| = 4.6166421E-03   |res|/|x| = 1.3508541E-04
  Cycle:   4  Frequency:   6  |res| = 5.3075548E-03   |res|/|x| = 1.3399157E-04
  Cycle:   4  Frequency:   7  |res| = 6.4556964E-03   |res|/|x| = 1.3605036E-04
  Cycle:   4  Frequency:   8  |res| = 8.5969735E-03   |res|/|x| = 1.4399928E-04
  Cycle:   4  Frequency:   9  |res| = 1.3201139E-02   |res|/|x| = 1.6268466E-04
  Cycle:   4  Frequency:  10  |res| = 2.4652503E-02   |res|/|x| = 1.9973644E-04
  Cycle:   4  Frequency:  11  |res| = 4.6050997E-02   |res|/|x| = 2.6310789E-04
  Cycle:   4  Frequency:  12  |res| = 4.9135177E-02   |res|/|x| = 3.3630508E-04
  Cycle:   4  Frequency:  13  |res| = 6.1160603E-02   |res|/|x| = 3.9559061E-04
  Cycle:   4  Frequency:  14  |res| = 5.7403667E-02   |res|/|x| = 4.2011056E-04
  Cycle:   4  Frequency:  15  |res| = 2.4961926E-02   |res|/|x| = 2.7968283E-04
  Cycle:   4  Frequency:  16  |res| = 1.3226084E-02   |res|/|x| = 2.0509019E-04
  Cycle:   4  Frequency:  17  |res| = 1.3273238E-02   |res|/|x| = 2.5768944E-04
  Cycle:   4  Frequency:  18  |res| = 2.0983951E-02   |res|/|x| = 4.7656330E-04
  Cycle:   4  Frequency:  19  |res| = 3.6439026E-02   |res|/|x| = 9.2036275E-04
  Cycle:   4  Frequency:  20  |res| = 3.6692749E-02   |res|/|x| = 9.9490202E-04
  Cycle:   4  Frequency:  21  |res| = 2.3597089E-02   |res|/|x| = 6.6728742E-04
 
 Iteration    5
  - subspace structure:           91          90
  - time for integrals only: 27.7s
  - time for sigma constructions: 27.8s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.1s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   5  Frequency:   1  |res| = 3.4431610E-04   |res|/|x| = 1.5135797E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   2  |res| = 3.5506740E-04   |res|/|x| = 1.4368608E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   3  |res| = 3.8142734E-04   |res|/|x| = 1.4059543E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   4  |res| = 4.2356464E-04   |res|/|x| = 1.4032039E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   5  |res| = 4.8661877E-04   |res|/|x| = 1.4238719E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   6  |res| = 5.8295549E-04   |res|/|x| = 1.4716961E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   7  |res| = 7.4019118E-04   |res|/|x| = 1.5599121E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   8  |res| = 1.0248039E-03   |res|/|x| = 1.7165440E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   9  |res| = 1.6186775E-03   |res|/|x| = 1.9947778E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  10  |res| = 3.0702330E-03   |res|/|x| = 2.4875173E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  11  |res| = 5.7950255E-03   |res|/|x| = 3.3109409E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  12  |res| = 6.2798832E-03   |res|/|x| = 4.2982822E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  13  |res| = 7.7398681E-03   |res|/|x| = 5.0061991E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  14  |res| = 6.9705178E-03   |res|/|x| = 5.1013386E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  15  |res| = 3.0367291E-03   |res|/|x| = 3.4024827E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  16  |res| = 1.8389179E-03   |res|/|x| = 2.8515209E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  17  |res| = 2.1778652E-03   |res|/|x| = 4.2281394E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  18  |res| = 3.6204573E-03   |res|/|x| = 8.2222153E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  19  |res| = 6.4555842E-03   |res|/|x| = 1.6304608E-04
  Cycle:   5  Frequency:  20  |res| = 6.5407302E-03   |res|/|x| = 1.7736303E-04
  Cycle:   5  Frequency:  21  |res| = 4.3750028E-03   |res|/|x| = 1.2372252E-04
 
 Iteration    6
  - subspace structure:           97          96
  - time for integrals only: 8.3s
  - time for sigma constructions: 8.4s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   6  Frequency:  19  |res| = 9.8165269E-04   |res|/|x| = 2.4793190E-05 Converged! Final space =   386
  Cycle:   6  Frequency:  20  |res| = 9.8322226E-04   |res|/|x| = 2.6661787E-05 Converged! Final space =   386
  Cycle:   6  Frequency:  21  |res| = 6.5148230E-04   |res|/|x| = 1.8423551E-05 Converged! Final space =   386

  Happy end 



=====================================================
SCF procedure of the 2. component of the perturbation
=====================================================
::

 
 Iteration    1
  - subspace structure:           11          11
  - time for integrals only: 15.7s
  - time for sigma constructions: 15.8s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   1  Frequency:   1  |res| = 9.1849765E-01   |res|/|x| = 1.6010573E-01
  Cycle:   1  Frequency:   2  |res| = 9.1667317E-01   |res|/|x| = 1.6075113E-01
  Cycle:   1  Frequency:   3  |res| = 9.1427916E-01   |res|/|x| = 1.6244435E-01
  Cycle:   1  Frequency:   4  |res| = 9.1295417E-01   |res|/|x| = 1.6366157E-01
  Cycle:   1  Frequency:   5  |res| = 9.1242837E-01   |res|/|x| = 1.6440752E-01
  Cycle:   1  Frequency:   6  |res| = 9.1247075E-01   |res|/|x| = 1.6487764E-01
  Cycle:   1  Frequency:   7  |res| = 9.1299872E-01   |res|/|x| = 1.6513924E-01
  Cycle:   1  Frequency:   8  |res| = 9.1396726E-01   |res|/|x| = 1.6522430E-01
  Cycle:   1  Frequency:   9  |res| = 9.1534497E-01   |res|/|x| = 1.6515328E-01
  Cycle:   1  Frequency:  10  |res| = 9.1710774E-01   |res|/|x| = 1.6494164E-01
  Cycle:   1  Frequency:  11  |res| = 9.1923630E-01   |res|/|x| = 1.6460191E-01
  Cycle:   1  Frequency:  12  |res| = 9.2171491E-01   |res|/|x| = 1.6414452E-01
  Cycle:   1  Frequency:  13  |res| = 9.2453039E-01   |res|/|x| = 1.6357806E-01
  Cycle:   1  Frequency:  14  |res| = 9.2767125E-01   |res|/|x| = 1.6290935E-01
  Cycle:   1  Frequency:  15  |res| = 9.3112649E-01   |res|/|x| = 1.6214314E-01
  Cycle:   1  Frequency:  16  |res| = 9.3488400E-01   |res|/|x| = 1.6128131E-01
  Cycle:   1  Frequency:  17  |res| = 9.3892816E-01   |res|/|x| = 1.6032079E-01
  Cycle:   1  Frequency:  18  |res| = 9.4323696E-01   |res|/|x| = 1.5924822E-01
  Cycle:   1  Frequency:  19  |res| = 9.4778848E-01   |res|/|x| = 1.5802407E-01
  Cycle:   1  Frequency:  20  |res| = 9.5268025E-01   |res|/|x| = 1.5653410E-01
  Cycle:   1  Frequency:  21  |res| = 9.5944848E-01   |res|/|x| = 1.5459789E-01
 
 Iteration    2
  - subspace structure:           26          26
  - time for integrals only: 20.6s
  - time for sigma constructions: 20.7s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   2  Frequency:   1  |res| = 6.1454770E-02   |res|/|x| = 1.0610113E-02
  Cycle:   2  Frequency:   2  |res| = 6.1273612E-02   |res|/|x| = 1.0667426E-02
  Cycle:   2  Frequency:   3  |res| = 6.1380064E-02   |res|/|x| = 1.0746300E-02
  Cycle:   2  Frequency:   4  |res| = 6.1613328E-02   |res|/|x| = 1.0824695E-02
  Cycle:   2  Frequency:   5  |res| = 6.1922071E-02   |res|/|x| = 1.0896654E-02
  Cycle:   2  Frequency:   6  |res| = 6.2286499E-02   |res|/|x| = 1.0960702E-02
  Cycle:   2  Frequency:   7  |res| = 6.2697908E-02   |res|/|x| = 1.1016814E-02
  Cycle:   2  Frequency:   8  |res| = 6.3152208E-02   |res|/|x| = 1.1065474E-02
  Cycle:   2  Frequency:   9  |res| = 6.3647567E-02   |res|/|x| = 1.1107340E-02
  Cycle:   2  Frequency:  10  |res| = 6.4183512E-02   |res|/|x| = 1.1143126E-02
  Cycle:   2  Frequency:  11  |res| = 6.4760814E-02   |res|/|x| = 1.1173605E-02
  Cycle:   2  Frequency:  12  |res| = 6.5382735E-02   |res|/|x| = 1.1199824E-02
  Cycle:   2  Frequency:  13  |res| = 6.6063231E-02   |res|/|x| = 1.1224467E-02
  Cycle:   2  Frequency:  14  |res| = 6.6881773E-02   |res|/|x| = 1.1260895E-02
  Cycle:   2  Frequency:  15  |res| = 6.7998732E-02   |res|/|x| = 1.1335241E-02
  Cycle:   2  Frequency:  16  |res| = 6.8943866E-02   |res|/|x| = 1.1370557E-02
  Cycle:   2  Frequency:  17  |res| = 6.9650724E-02   |res|/|x| = 1.1355861E-02
  Cycle:   2  Frequency:  18  |res| = 7.0572435E-02   |res|/|x| = 1.1363190E-02
  Cycle:   2  Frequency:  19  |res| = 7.1445600E-02   |res|/|x| = 1.1346374E-02
  Cycle:   2  Frequency:  20  |res| = 7.1587863E-02   |res|/|x| = 1.1214722E-02
  Cycle:   2  Frequency:  21  |res| = 7.2505754E-02   |res|/|x| = 1.1202915E-02
 
 Iteration    3
  - subspace structure:           44          44
  - time for integrals only: 24.9s
  - time for sigma constructions: 24.9s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   3  Frequency:   1  |res| = 2.4802809E-03   |res|/|x| = 4.2836105E-04
  Cycle:   3  Frequency:   2  |res| = 2.3627717E-03   |res|/|x| = 4.1139144E-04
  Cycle:   3  Frequency:   3  |res| = 2.3189095E-03   |res|/|x| = 4.0600138E-04
  Cycle:   3  Frequency:   4  |res| = 2.3100461E-03   |res|/|x| = 4.0584300E-04
  Cycle:   3  Frequency:   5  |res| = 2.3200675E-03   |res|/|x| = 4.0825963E-04
  Cycle:   3  Frequency:   6  |res| = 2.3419808E-03   |res|/|x| = 4.1210779E-04
  Cycle:   3  Frequency:   7  |res| = 2.3723620E-03   |res|/|x| = 4.1683429E-04
  Cycle:   3  Frequency:   8  |res| = 2.4094271E-03   |res|/|x| = 4.2215507E-04
  Cycle:   3  Frequency:   9  |res| = 2.4522867E-03   |res|/|x| = 4.2793100E-04
  Cycle:   3  Frequency:  10  |res| = 2.5006149E-03   |res|/|x| = 4.3411225E-04
  Cycle:   3  Frequency:  11  |res| = 2.5640081E-03   |res|/|x| = 4.4235253E-04
  Cycle:   3  Frequency:  12  |res| = 2.6592710E-03   |res|/|x| = 4.5548234E-04
  Cycle:   3  Frequency:  13  |res| = 2.7640046E-03   |res|/|x| = 4.6955419E-04
  Cycle:   3  Frequency:  14  |res| = 2.8262542E-03   |res|/|x| = 4.7580542E-04
  Cycle:   3  Frequency:  15  |res| = 2.8554466E-03   |res|/|x| = 4.7601812E-04
  Cycle:   3  Frequency:  16  |res| = 2.9307368E-03   |res|/|x| = 4.8336359E-04
  Cycle:   3  Frequency:  17  |res| = 3.0339982E-03   |res|/|x| = 4.9463225E-04
  Cycle:   3  Frequency:  18  |res| = 3.1665731E-03   |res|/|x| = 5.0980476E-04
  Cycle:   3  Frequency:  19  |res| = 3.2577158E-03   |res|/|x| = 5.1727131E-04
  Cycle:   3  Frequency:  20  |res| = 3.0728888E-03   |res|/|x| = 4.8135551E-04
  Cycle:   3  Frequency:  21  |res| = 3.1187755E-03   |res|/|x| = 4.8184006E-04
 
 Iteration    4
  - subspace structure:           61          61
  - time for integrals only: 23.4s
  - time for sigma constructions: 23.4s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   4  Frequency:   1  |res| = 3.4239897E-04   |res|/|x| = 5.9134780E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   2  |res| = 3.1801366E-04   |res|/|x| = 5.5370680E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   3  |res| = 3.1454534E-04   |res|/|x| = 5.5071544E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   4  |res| = 3.3011873E-04   |res|/|x| = 5.7997292E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   5  |res| = 3.7843195E-04   |res|/|x| = 6.6592248E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   6  |res| = 3.7908754E-04   |res|/|x| = 6.6706326E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   7  |res| = 3.3737172E-04   |res|/|x| = 5.9277673E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   8  |res| = 3.2657530E-04   |res|/|x| = 5.7219167E-05 Converged! Final space =   244
  Cycle:   4  Frequency:   9  |res| = 3.2762505E-04   |res|/|x| = 5.7171495E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  10  |res| = 3.3319274E-04   |res|/|x| = 5.7842980E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  11  |res| = 3.4162771E-04   |res|/|x| = 5.8938905E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  12  |res| = 3.5325991E-04   |res|/|x| = 6.0506624E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  13  |res| = 3.7448572E-04   |res|/|x| = 6.3618188E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  14  |res| = 3.9983238E-04   |res|/|x| = 6.7312603E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  15  |res| = 4.0485782E-04   |res|/|x| = 6.7491964E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  16  |res| = 4.1598575E-04   |res|/|x| = 6.8608115E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  17  |res| = 4.3374600E-04   |res|/|x| = 7.0713511E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  18  |res| = 4.5826697E-04   |res|/|x| = 7.3778957E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  19  |res| = 4.7304747E-04   |res|/|x| = 7.5111972E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  20  |res| = 4.2373639E-04   |res|/|x| = 6.6376587E-05 Converged! Final space =   244
  Cycle:   4  Frequency:  21  |res| = 4.2792656E-04   |res|/|x| = 6.6113168E-05 Converged! Final space =   244

  Happy end 



=====================================================
SCF procedure of the 3. component of the perturbation
=====================================================
::

 
 Iteration    1
  - subspace structure:           13          12
  - time for integrals only: 17.1s
  - time for sigma constructions: 17.1s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   1  Frequency:   1  |res| = 2.3908344E+00   |res|/|x| = 1.2084344E-01
  Cycle:   1  Frequency:   2  |res| = 2.5032022E+00   |res|/|x| = 1.1742267E-01
  Cycle:   1  Frequency:   3  |res| = 2.6355202E+00   |res|/|x| = 1.1368633E-01
  Cycle:   1  Frequency:   4  |res| = 2.7944487E+00   |res|/|x| = 1.0956563E-01
  Cycle:   1  Frequency:   5  |res| = 2.9902288E+00   |res|/|x| = 1.0497178E-01
  Cycle:   1  Frequency:   6  |res| = 3.2395727E+00   |res|/|x| = 9.9790088E-02
  Cycle:   1  Frequency:   7  |res| = 3.5719409E+00   |res|/|x| = 9.3874766E-02
  Cycle:   1  Frequency:   8  |res| = 4.0447666E+00   |res|/|x| = 8.7053173E-02
  Cycle:   1  Frequency:   9  |res| = 4.7852189E+00   |res|/|x| = 7.9173642E-02
  Cycle:   1  Frequency:  10  |res| = 6.1094650E+00   |res|/|x| = 7.0331844E-02
  Cycle:   1  Frequency:  11  |res| = 8.4884243E+00   |res|/|x| = 6.1775685E-02
  Cycle:   1  Frequency:  12  |res| = 8.5060347E+00   |res|/|x| = 5.8554690E-02
  Cycle:   1  Frequency:  13  |res| = 6.8752479E+00   |res|/|x| = 6.9777418E-02
  Cycle:   1  Frequency:  14  |res| = 7.8566547E+00   |res|/|x| = 9.2796911E-02
  Cycle:   1  Frequency:  15  |res| = 1.1400150E+01   |res|/|x| = 1.0956131E-01
  Cycle:   1  Frequency:  16  |res| = 1.5754762E+01   |res|/|x| = 1.1243170E-01
  Cycle:   1  Frequency:  17  |res| = 1.1078145E+01   |res|/|x| = 1.0738640E-01
  Cycle:   1  Frequency:  18  |res| = 6.8753664E+00   |res|/|x| = 1.0019199E-01
  Cycle:   1  Frequency:  19  |res| = 4.8600107E+00   |res|/|x| = 9.3433817E-02
  Cycle:   1  Frequency:  20  |res| = 3.8229696E+00   |res|/|x| = 8.8048114E-02
  Cycle:   1  Frequency:  21  |res| = 3.2620463E+00   |res|/|x| = 8.4257417E-02
 
 Iteration    2
  - subspace structure:           30          29
  - time for integrals only: 24.2s
  - time for sigma constructions: 24.2s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   2  Frequency:   1  |res| = 7.7987203E-01   |res|/|x| = 3.4141415E-02
  Cycle:   2  Frequency:   2  |res| = 1.1920849E+00   |res|/|x| = 4.7420958E-02
  Cycle:   2  Frequency:   3  |res| = 2.1844117E+00   |res|/|x| = 7.6814368E-02
  Cycle:   2  Frequency:   4  |res| = 2.4589008E+00   |res|/|x| = 7.9690369E-02
  Cycle:   2  Frequency:   5  |res| = 2.0360304E+00   |res|/|x| = 6.0159289E-02
  Cycle:   2  Frequency:   6  |res| = 1.8946605E+00   |res|/|x| = 4.8934133E-02
  Cycle:   2  Frequency:   7  |res| = 1.9743062E+00   |res|/|x| = 4.2979366E-02
  Cycle:   2  Frequency:   8  |res| = 2.2700424E+00   |res|/|x| = 3.9741229E-02
  Cycle:   2  Frequency:   9  |res| = 2.9227349E+00   |res|/|x| = 3.8323578E-02
  Cycle:   2  Frequency:  10  |res| = 4.3878846E+00   |res|/|x| = 3.8675288E-02
  Cycle:   2  Frequency:  11  |res| = 7.0813505E+00   |res|/|x| = 4.1132339E-02
  Cycle:   2  Frequency:  12  |res| = 6.7830908E+00   |res|/|x| = 4.4065236E-02
  Cycle:   2  Frequency:  13  |res| = 5.6931939E+00   |res|/|x| = 3.8346176E-02
  Cycle:   2  Frequency:  14  |res| = 3.7436442E+00   |res|/|x| = 2.6420906E-02
  Cycle:   2  Frequency:  15  |res| = 1.7585784E+00   |res|/|x| = 1.8950612E-02
  Cycle:   2  Frequency:  16  |res| = 1.0078632E+00   |res|/|x| = 1.5195005E-02
  Cycle:   2  Frequency:  17  |res| = 6.9976422E-01   |res|/|x| = 1.3318364E-02
  Cycle:   2  Frequency:  18  |res| = 5.9540697E-01   |res|/|x| = 1.3334862E-02
  Cycle:   2  Frequency:  19  |res| = 5.7136596E-01   |res|/|x| = 1.4310845E-02
  Cycle:   2  Frequency:  20  |res| = 5.8398844E-01   |res|/|x| = 1.5726600E-02
  Cycle:   2  Frequency:  21  |res| = 6.1605181E-01   |res|/|x| = 1.7270697E-02
 
 Iteration    3
  - subspace structure:           50          49
  - time for integrals only: 28.3s
  - time for sigma constructions: 28.3s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   3  Frequency:   1  |res| = 5.9143378E-02   |res|/|x| = 2.6169603E-03
  Cycle:   3  Frequency:   2  |res| = 6.1884045E-02   |res|/|x| = 2.5231657E-03
  Cycle:   3  Frequency:   3  |res| = 6.5087656E-02   |res|/|x| = 2.4199780E-03
  Cycle:   3  Frequency:   4  |res| = 6.9089118E-02   |res|/|x| = 2.3117765E-03
  Cycle:   3  Frequency:   5  |res| = 7.4220092E-02   |res|/|x| = 2.1970475E-03
  Cycle:   3  Frequency:   6  |res| = 8.1200500E-02   |res|/|x| = 2.0779527E-03
  Cycle:   3  Frequency:   7  |res| = 9.1793696E-02   |res|/|x| = 1.9657725E-03
  Cycle:   3  Frequency:   8  |res| = 1.1133302E-01   |res|/|x| = 1.9008825E-03
  Cycle:   3  Frequency:   9  |res| = 1.6084961E-01   |res|/|x| = 2.0284647E-03
  Cycle:   3  Frequency:  10  |res| = 3.4460998E-01   |res|/|x| = 2.8695929E-03
  Cycle:   3  Frequency:  11  |res| = 9.0701221E-01   |res|/|x| = 5.3328225E-03
  Cycle:   3  Frequency:  12  |res| = 1.5437118E+00   |res|/|x| = 1.0667944E-02
  Cycle:   3  Frequency:  13  |res| = 1.8415141E+00   |res|/|x| = 1.1676604E-02
  Cycle:   3  Frequency:  14  |res| = 7.4948333E-01   |res|/|x| = 5.3448379E-03
  Cycle:   3  Frequency:  15  |res| = 2.5724358E-01   |res|/|x| = 2.8201766E-03
  Cycle:   3  Frequency:  16  |res| = 1.2495695E-01   |res|/|x| = 1.9050019E-03
  Cycle:   3  Frequency:  17  |res| = 9.6076699E-02   |res|/|x| = 1.8400251E-03
  Cycle:   3  Frequency:  18  |res| = 1.4690827E-01   |res|/|x| = 3.2981863E-03
  Cycle:   3  Frequency:  19  |res| = 2.9242417E-01   |res|/|x| = 7.3171991E-03
  Cycle:   3  Frequency:  20  |res| = 3.5539986E-01   |res|/|x| = 9.5546855E-03
  Cycle:   3  Frequency:  21  |res| = 3.5906357E-01   |res|/|x| = 1.0035733E-02
 
 Iteration    4
  - subspace structure:           72          71
  - time for integrals only: 31.4s
  - time for sigma constructions: 31.5s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   4  Frequency:   1  |res| = 2.8747853E-03   |res|/|x| = 1.2720203E-04
  Cycle:   4  Frequency:   2  |res| = 3.0319119E-03   |res|/|x| = 1.2361718E-04
  Cycle:   4  Frequency:   3  |res| = 3.2594153E-03   |res|/|x| = 1.2118438E-04
  Cycle:   4  Frequency:   4  |res| = 3.5793291E-03   |res|/|x| = 1.1976541E-04
  Cycle:   4  Frequency:   5  |res| = 4.0288508E-03   |res|/|x| = 1.1925929E-04
  Cycle:   4  Frequency:   6  |res| = 4.6850833E-03   |res|/|x| = 1.1989112E-04
  Cycle:   4  Frequency:   7  |res| = 5.7072798E-03   |res|/|x| = 1.2222005E-04
  Cycle:   4  Frequency:   8  |res| = 7.4568099E-03   |res|/|x| = 1.2731480E-04
  Cycle:   4  Frequency:   9  |res| = 1.0878656E-02   |res|/|x| = 1.3719018E-04
  Cycle:   4  Frequency:  10  |res| = 1.8698559E-02   |res|/|x| = 1.5570512E-04
  Cycle:   4  Frequency:  11  |res| = 3.2233870E-02   |res|/|x| = 1.8945711E-04
  Cycle:   4  Frequency:  12  |res| = 3.5008213E-02   |res|/|x| = 2.4211040E-04
  Cycle:   4  Frequency:  13  |res| = 4.9661479E-02   |res|/|x| = 3.1476988E-04
  Cycle:   4  Frequency:  14  |res| = 4.5510441E-02   |res|/|x| = 3.2450127E-04
  Cycle:   4  Frequency:  15  |res| = 2.0040759E-02   |res|/|x| = 2.1975228E-04
  Cycle:   4  Frequency:  16  |res| = 1.1267426E-02   |res|/|x| = 1.7179193E-04
  Cycle:   4  Frequency:  17  |res| = 9.0402597E-03   |res|/|x| = 1.7314396E-04
  Cycle:   4  Frequency:  18  |res| = 1.0275139E-02   |res|/|x| = 2.3070105E-04
  Cycle:   4  Frequency:  19  |res| = 1.5083799E-02   |res|/|x| = 3.7713806E-04
  Cycle:   4  Frequency:  20  |res| = 1.4716649E-02   |res|/|x| = 3.9517324E-04
  Cycle:   4  Frequency:  21  |res| = 1.0320506E-02   |res|/|x| = 2.8887985E-04
 
 Iteration    5
  - subspace structure:           91          90
  - time for integrals only: 26.9s
  - time for sigma constructions: 27.0s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.1s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   5  Frequency:   1  |res| = 2.7864664E-04   |res|/|x| = 1.2329414E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   2  |res| = 2.9945455E-04   |res|/|x| = 1.2209366E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   3  |res| = 3.3641898E-04   |res|/|x| = 1.2507985E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   4  |res| = 3.9151672E-04   |res|/|x| = 1.3100261E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   5  |res| = 4.7173295E-04   |res|/|x| = 1.3963913E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   6  |res| = 5.9130168E-04   |res|/|x| = 1.5131383E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   7  |res| = 7.7911791E-04   |res|/|x| = 1.6684617E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   8  |res| = 1.0996474E-03   |res|/|x| = 1.8774955E-05 Converged! Final space =   362
  Cycle:   5  Frequency:   9  |res| = 1.7185510E-03   |res|/|x| = 2.1672532E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  10  |res| = 3.1037784E-03   |res|/|x| = 2.5845486E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  11  |res| = 5.4248680E-03   |res|/|x| = 3.1885160E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  12  |res| = 5.7030951E-03   |res|/|x| = 3.9441500E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  13  |res| = 7.9911346E-03   |res|/|x| = 5.0650557E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  14  |res| = 8.2375647E-03   |res|/|x| = 5.8735318E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  15  |res| = 4.3894016E-03   |res|/|x| = 4.8131176E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  16  |res| = 2.4696835E-03   |res|/|x| = 3.7654803E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  17  |res| = 2.0010497E-03   |res|/|x| = 3.8325204E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  18  |res| = 2.3820121E-03   |res|/|x| = 5.3481583E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  19  |res| = 3.7422547E-03   |res|/|x| = 9.3566246E-05 Converged! Final space =   362
  Cycle:   5  Frequency:  20  |res| = 3.9017045E-03   |res|/|x| = 1.0477109E-04
  Cycle:   5  Frequency:  21  |res| = 2.8801256E-03   |res|/|x| = 8.0617855E-05 Converged! Final space =   362
 
 Iteration    6
  - subspace structure:           93          92
  - time for integrals only: 2.8s
  - time for sigma constructions: 2.8s
  - time for subspace construction: 0.0s
  - time for reduced equations: 0.0s (0.0s per frequency)

  - time for residue calculations: 0.0s
  - time for linear combinations: 0.0s

  Cycle:   6  Frequency:  20  |res| = 7.4447997E-04   |res|/|x| = 1.9991272E-05 Converged! Final space =   370

  Happy end 



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.33074

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             40.1979697760        0.0000133418        0.3854627270
  Ey              0.0000595125       11.2730316943       -0.0001121683
  Ez              0.3854701745        0.0000734536       40.1696596248

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.273032        -0.0000    1.0000    0.0000
  E_22            39.798088         0.6940    0.0000   -0.7200
  E_33            40.569541        -0.7200   -0.0000   -0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   30.546887

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              1.8875929521        0.0000132960        0.3366034576
  Ey              0.0000010946        0.1087767229       -0.0000008831
  Ez              0.3366033550       -0.0000059284        1.8629022861

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.108777        -0.0000    1.0000    0.0000
  Im_22            1.538418        -0.6940   -0.0000    0.7199
  Im_33            2.212077         0.7199    0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    1.286424



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.33442

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             42.2164106854        0.0000227483        0.7629402607
  Ey              0.0000631053       11.3805753348       -0.0001186592
  Ez              0.7629476187        0.0000702969       42.1604118202

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.380575        -0.0000    1.0000    0.0000
  E_22            41.424954        -0.6940   -0.0000    0.7200
  E_33            42.951869         0.7200    0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   31.919133

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              2.2300058100        0.0000095800        0.4556474522
  Ey              0.0000045369        0.1069465346       -0.0000091626
  Ez              0.4556472188       -0.0000024638        2.1965834101

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.106947        -0.0000    1.0000    0.0000
  Im_22            1.757341        -0.6940   -0.0000    0.7199
  Im_33            2.669248         0.7199    0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    1.511179



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.33809

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             44.6157147068        0.0000307826        1.2759897703
  Ey              0.0000690900       11.4866909139       -0.0001313188
  Ez              1.2759968284        0.0000690353       44.5220830642

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.486691        -0.0000    1.0000    0.0000
  E_22            43.292047        -0.6940   -0.0000    0.7200
  E_33            45.845751         0.7200    0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   33.541496

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              2.6904360464        0.0000093331        0.6314239626
  Ey              0.0000070727        0.1057619974       -0.0000161974
  Ez              0.6314234059       -0.0000000748        2.6441206310

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.105762        -0.0000    1.0000    0.0000
  Im_22            2.035430        -0.6940   -0.0000    0.7199
  Im_33            3.299127         0.7199    0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    1.813440



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.34177

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             47.5306997954        0.0000387168        1.9902285373
  Ey              0.0000773359       11.5919212109       -0.0001507281
  Ez              1.9902348927        0.0000691324       47.3846783595

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.591921        -0.0000    1.0000    0.0000
  E_22            45.466119        -0.6940   -0.0000    0.7200
  E_33            49.449260         0.7200    0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   35.502433

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              3.3333978128        0.0000132317        0.9021412562
  Ey              0.0000094966        0.1050944698       -0.0000243258
  Ez              0.9021400886        0.0000034109        3.2672255852

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.105094        -0.0000    1.0000    0.0000
  Im_22            2.397565        -0.6940   -0.0000    0.7199
  Im_33            4.203059         0.7199    0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    2.235239



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.34544

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             51.1703918867        0.0000410893        3.0150355997
  Ey              0.0000880137       11.6967304185       -0.0001788198
  Ez              3.0150405267        0.0000666080       50.9492008226

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.696730        -0.0000    1.0000    0.0000
  E_22            48.042731        -0.6940   -0.0000    0.7200
  E_33            54.076862         0.7200    0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   37.938774

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              4.2755981978        0.0000268165        1.3416323597
  Ey              0.0000121735        0.1048672837       -0.0000355474
  Ez              1.3416300627        0.0000118860        4.1771898013

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.104867        -0.0000    1.0000    0.0000
  Im_22            2.883861        -0.6940   -0.0000    0.7199
  Im_33            5.568927         0.7199    0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    2.852552



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.34912

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             55.8756499264        0.0000231664        4.5421459148
  Ey              0.0001015348       11.8015249621       -0.0002194004
  Ez              4.5421481015        0.0000522617       55.5424458743

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.801525        -0.0000    1.0000    0.0000
  E_22            51.163847        -0.6940   -0.0000    0.7199
  E_33            60.254249         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   41.073207

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              5.7464071990        0.0000268603        2.1055675171
  Ey              0.0000153336        0.1050277656       -0.0000529508
  Ez              2.1055630564        0.0000118690        5.5919650431

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.105028        -0.0000    1.0000    0.0000
  Im_22            3.562205        -0.6940   -0.0000    0.7199
  Im_33            7.776167         0.7199    0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    3.814467



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.35279

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             62.2336731232        0.0000265503        6.9253602559
  Ey              0.0001185323       11.9066684344       -0.0002794737
  Ez              6.9253572679        0.0000502233       61.7256618608

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.906668        -0.0000    1.0000    0.0000
  E_22            55.049652        -0.6940   -0.0000    0.7199
  E_33            68.909683         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   45.288668

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              8.2487426506        0.0000144515        3.5609166516
  Ey              0.0000190880        0.1055374735       -0.0000829194
  Ez              3.5609077434        0.0000040506        7.9875522960

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.105537        -0.0000    1.0000    0.0000
  Im_22            4.554841        -0.6940   -0.0000    0.7199
  Im_33           11.681454         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    5.447277



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.35647

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             71.2961573090        0.0000361162       10.8323965959
  Ey              0.0001398813       12.0124922182       -0.0003719491
  Ez             10.8323838141        0.0000511081       70.5015682843

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            12.012492        -0.0000    1.0000    0.0000
  E_22            60.059189        -0.6940   -0.0000    0.7199
  E_33            81.738536         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   51.270073

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             13.0605071542        0.0000124758        6.7100313574
  Ey              0.0000231018        0.1063677809       -0.0001414200
  Ez              6.7100122522        0.0000018879       12.5683326922

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.106368        -0.0000    1.0000    0.0000
  Im_22            6.099887        -0.6940   -0.0000    0.7199
  Im_33           19.528953         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    8.578403



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.36014

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             84.7205926936        0.0000472299       17.2644420125
  Ey              0.0001671173       12.1193035426       -0.0005176919
  Ez             17.2644114776        0.0000514903       83.4542195315

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            12.119304        -0.0000    1.0000    0.0000
  E_22            66.811372        -0.6940   -0.0000    0.7199
  E_33           101.363440         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   60.098039

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             24.1309024336        0.0000172453       14.8651286679
  Ey              0.0000248580        0.1074974600       -0.0002773495
  Ez             14.8650820792        0.0000031935       23.0405600335

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.107497        -0.0000    1.0000    0.0000
  Im_22            8.710632        -0.6940   -0.0000    0.7199
  Im_33           38.460830         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   15.759653



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.36382

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             99.8769578426        0.0000592339       22.6065902394
  Ey              0.0002097511       12.2273918492       -0.0006883800
  Ez             22.6065462955        0.0000487226       98.2187452769

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            12.227392        -0.0000    1.0000    0.0000
  E_22            76.426084        -0.6940   -0.0000    0.7199
  E_33           121.669619         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   70.107698

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             55.8306817886        0.0000349661       40.6600313412
  Ey              0.0000115874        0.1089112600       -0.0006674450
  Ez             40.6598957245        0.0000123624       52.8483085886

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.108911        -0.0000    1.0000    0.0000
  Im_22           13.652197        -0.6940   -0.0000    0.7199
  Im_33           95.026794         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   36.262634



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.36749

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             59.2402935271        0.0000426473      -30.4735072151
  Ey              0.0003509690       12.3370340420       -0.0002065480
  Ez            -30.4733603219        0.0000111818       61.4754629419

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            12.337034         0.0000   -1.0000    0.0000
  E_22            29.863958         0.7199    0.0000    0.6940
  E_33            90.851798        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   44.350930

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex            112.2349174557        0.0000697517       84.4295663685
  Ey             -0.0000093641        0.1105991732       -0.0013860727
  Ez             84.4292720270        0.0000263612      106.0420963436

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.110599        -0.0000    1.0000    0.0000
  Im_22           24.652327        -0.6940   -0.0000    0.7199
  Im_33          193.624687         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   72.795871



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.37117

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             16.8332116324        0.0000240200      -90.3826301940
  Ey              0.0005489039       12.4484986656        0.0003499458
  Ez            -90.3822430068       -0.0000343814       23.4626682130

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11           -70.295259        -0.7199    0.0000   -0.6940
  E_22            12.448499         0.0000    1.0000    0.0000
  E_33           110.591139        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   17.581460

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             78.0325541994        0.0000669048       22.0702745643
  Ey              0.0001422833        0.1125568861       -0.0011822276
  Ez             22.0701811586       -0.0000344560       76.4137335411

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.112557        -0.0000    1.0000    0.0000
  Im_22           55.138079        -0.6940   -0.0000    0.7199
  Im_33           99.308209         0.7199   -0.0000    0.6940
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   51.519615



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.37484

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             17.1995374681       -0.0000103470      -70.6173835598
  Ey              0.0007902594       12.5620438751        0.0012802937
  Ez            -70.6169333166        0.0000138531       22.3792752988

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11           -50.875228        -0.7199    0.0000   -0.6940
  E_22            12.562044         0.0000    1.0000    0.0000
  E_33            90.454040        -0.6940    0.0000    0.7199
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   17.380286

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             87.0427568976        0.0001141244      -48.8310671933
  Ey              0.0005253486        0.1147884143       -0.0014304086
  Ez            -48.8308298138       -0.0001500409       90.6245900566

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.114788        -0.0000   -1.0000   -0.0000
  Im_22           39.969894         0.7199   -0.0000    0.6940
  Im_33          137.697453        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   59.260712



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.37852

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex            -30.6790077896       -0.0000888370       -0.0298485655
  Ey              0.0000352537       12.6779125055        0.0007156405
  Ez             -0.0298316256        0.0001586392      -30.6769750502

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11           -30.707849        -0.7190    0.0000   -0.6950
  E_22           -30.648134         0.6950    0.0000   -0.7190
  E_33            12.677913        -0.0000    1.0000    0.0000
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =  -16.226023

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             67.8945499544        0.0000013863      -49.3885010007
  Ey              0.0011970621        0.1172725580        0.0003440178
  Ez            -49.3881988080       -0.0000460755       71.5171916334

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.117273        -0.0000    1.0000   -0.0000
  Im_22           20.284317        -0.7199   -0.0000   -0.6940
  Im_33          119.127425        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   46.509671



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.38219

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex            -24.6502410188       -0.0000149777        7.5740802045
  Ey             -0.0003365120       12.7964163900        0.0007678077
  Ez              7.5740725631        0.0000907124      -25.2059289943

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11           -32.507256        -0.6940   -0.0000    0.7200
  E_22           -17.348914         0.7200   -0.0000    0.6940
  E_33            12.796416         0.0000   -1.0000   -0.0000
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =  -12.353251

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             28.9633750311       -0.0000100353      -17.3314200921
  Ey              0.0005673204        0.1200070927       -0.0003687476
  Ez            -17.3312811045       -0.0000060110       30.2346492287

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.120007         0.0000   -1.0000   -0.0000
  Im_22           12.256009         0.7199    0.0000    0.6940
  Im_33           46.942015        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   19.772677



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.38587

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex            -10.3805802913       -0.0000048844        2.2946915665
  Ey             -0.0001285819       12.9178121115        0.0008628251
  Ez              2.2947409463        0.0000742986      -10.5490306564

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11           -12.761067        -0.6940   -0.0000    0.7200
  E_22            -8.168544         0.7200   -0.0000    0.6940
  E_33            12.917812        -0.0000    1.0000    0.0000
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   -2.670600

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             15.1249526986        0.0000016157       -7.0381748568
  Ey              0.0003302737        0.1230313437       -0.0001155544
  Ez             -7.0380863760       -0.0000092057       15.6412059184

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.123031         0.0000   -1.0000    0.0000
  Im_22            8.340217         0.7199    0.0000    0.6940
  Im_33           22.425942        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =   10.296397



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.38954

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             -0.0777170797       -0.0000002846       -1.3923292199
  Ey              0.0001136205       13.0423728541        0.0008509100
  Ez             -1.3922115253        0.0000643877        0.0242731956

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            -1.419926        -0.7199    0.0000   -0.6940
  E_22             1.366482        -0.6940   -0.0000    0.7199
  E_33            13.042373        -0.0000   -1.0000   -0.0000
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =    4.329643

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              9.6528056607        0.0000071254       -3.5906869225
  Ey              0.0003534169        0.1263580099        0.0000224159
  Ez             -3.5905833275       -0.0000108642        9.9161801925

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.126358        -0.0000    1.0000   -0.0000
  Im_22            6.191444        -0.7199   -0.0000   -0.6940
  Im_33           13.377542        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    6.565115



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.39322

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              7.4928607429        0.0000049488       -3.7704455738
  Ey              0.0003780999       13.1703866528        0.0008855693
  Ez             -3.7702489331        0.0000545022        7.7692803334

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11             3.858191        -0.7199    0.0000   -0.6940
  E_22            11.403950        -0.6940   -0.0001    0.7199
  E_33            13.170387         0.0000   -1.0000   -0.0001
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =    9.477509

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              7.0582061233        0.0000185452       -2.2074829419
  Ey              0.0006505686        0.1300346796        0.0001899870
  Ez             -2.2072822973       -0.0000158461        7.2201206730

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.130035        -0.0001    1.0000   -0.0000
  Im_22            4.930297        -0.7199   -0.0001   -0.6940
  Im_33            9.348030        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    4.802787



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.39689

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             13.4756211971       -0.0000068543       -5.4875799177
  Ey             -0.0000108154       13.3020252942        0.0007765343
  Ez             -5.4875888285        0.0000510488       13.8779911757

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11             8.185535        -0.7199    0.0001   -0.6940
  E_22            13.302025         0.0001    1.0000    0.0000
  E_33            19.168077        -0.6940    0.0001    0.7199
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   13.551879

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              5.7114457667        0.0000510665       -1.5788495897
  Ey              0.0000232755        0.1341735828        0.0005686151
  Ez             -1.5788586741       -0.0000302621        5.8272413682

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.134174        -0.0000    1.0000   -0.0001
  Im_22            4.189428        -0.7199   -0.0001   -0.6940
  Im_33            7.349259        -0.6940    0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    3.890954



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.40057

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             18.5248339857       -0.0000629004       -6.9210330698
  Ey             -0.0000279499       13.4374107896       -0.0001554478
  Ez             -6.9210266594        0.0000647443       19.0323337429

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            11.852904         0.7199    0.0000    0.6940
  E_22            13.437411         0.0000   -1.0000    0.0000
  E_33            25.704264        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   16.998193

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              4.9594517464        0.0000416912       -1.3307908666
  Ey              0.0000187191        0.1383406017       -0.0001493145
  Ez             -1.3308404165       -0.0000278414        5.0570540405

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.138341         0.0000   -1.0000   -0.0000
  Im_22            3.676543         0.7199   -0.0000    0.6940
  Im_33            6.339963        -0.6940   -0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    3.384949



==============================================================================
                Electric dipole - electric dipole tensor [au]
==============================================================================

  Frequency =    0.40424

 -----------------------------------------------------------------------------
                                   Real part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex             23.1304025954       -0.0000703444       -8.1953949797
  Ey             -0.0000266448       13.5775416210        0.0002257913
  Ez             -8.1953950728        0.0000565288       23.7313593889

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  E_11            13.577542        -0.0000    1.0000   -0.0000
  E_22            15.229979        -0.7199   -0.0000   -0.6940
  E_33            31.631783        -0.6940    0.0000    0.7199
 ----------------------------------------------------------------------

  Isotropic value (electric-electric) =   20.146435

 -----------------------------------------------------------------------------
                                Imaginary part
 -----------------------------------------------------------------------------
                       Ex                 Ey                 Ez
  Ex              4.5647948585        0.0000104756       -1.2872383704
  Ey              0.0000079053        0.1426997032        0.0002014371
  Ez             -1.2872491645       -0.0000168911        4.6592015073

 Principal components
 --------------------

  Component         Value                Principal Axes 
 ----------------------------------------------------------------------
  Im_11            0.142700        -0.0000    1.0000   -0.0000
  Im_22            3.323889        -0.7199   -0.0000   -0.6940
  Im_33            5.900107        -0.6940    0.0000    0.7199
 ----------------------------------------------------------------------

  Imaginary isotropic value (electric-electric) =    3.122232



==============================================================================
 Final isotropic values of electric dipole--electric dipole response function 
                       and corresponding spectroscopies                       
==============================================================================

       Freq           Freq        Real part      Imag part     Polarizability     EAS
       [au]           [eV]           [au]           [au]           [au]           [au]
   -------------------------------------------------------------------------------------
      0.33074        9.00000       30.54689        1.28642       30.54689        0.03902
      0.33442        9.10000       31.91913        1.51118       31.91913        0.04634
      0.33809        9.20000       33.54150        1.81344       33.54150        0.05622
      0.34177        9.30000       35.50243        2.23524       35.50243        0.07005
      0.34544        9.40000       37.93877        2.85255       37.93877        0.09036
      0.34912        9.50000       41.07321        3.81447       41.07321        0.12212
      0.35279        9.60000       45.28867        5.44728       45.28867        0.17623
      0.35647        9.70000       51.27007        8.57840       51.27007        0.28042
      0.36014        9.80000       60.09804       15.75965       60.09804        0.52047
      0.36382        9.90000       70.10770       36.26263       70.10770        1.20982
      0.36749       10.00000       44.35093       72.79587       44.35093        2.45319
      0.37117       10.10000       17.58146       51.51961       17.58146        1.75355
      0.37484       10.20000       17.38029       59.26071       17.38029        2.03700
      0.37852       10.30000      -16.22602       46.50967      -16.22602        1.61438
      0.38219       10.40000      -12.35325       19.77268      -12.35325        0.69298
      0.38587       10.50000       -2.67060       10.29640       -2.67060        0.36433
      0.38954       10.60000        4.32964        6.56511        4.32964        0.23452
      0.39322       10.70000        9.47751        4.80279        9.47751        0.17318
      0.39689       10.80000       13.55188        3.89095       13.55188        0.14161
      0.40057       10.90000       16.99819        3.38495       16.99819        0.12434
      0.40424       11.00000       20.14643        3.12223       20.14643        0.11574




 ***************************************************
 * Well, here we are. How does it look for you ??? *
 ***************************************************

 Total user time: 5m 53.8s



##############################################################################
                              Finalization info
##############################################################################
 
*M*  rank =   0   top mem =            31.402 MB   sub = kernel_4comp   arr = grid2atom_dist

 Final time:
   11:20:46, 11 April, 2024

 Successful termination of ReSpect!


real	5m53,828s
user	23m33,241s
sys	0m1,200s
