
  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
 | | | | | . | | | | 
 |__ |  _|___|_____|  23.6.2b1
 |___|_|             

User:   aes38@compute-23
Date:   Wed Aug  9 01:21:17 2023
Arch:   x86_64
Pid:    204499
CWD:    /users/home/aes38/Rydberg/new/formaldehyde/reallcao/sixthext
Python: 3.9.6
gpaw:   /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/gpaw
_gpaw:  /users/home/aes38/new-gmf-gpaw/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (cebd99ec5b)
ase:    /hpcapps/source/ase_dev/ase (version 3.23.0b1-d4c62f2276)
numpy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/numpy (version 1.22.4)
scipy:  /hpcapps/libsci-gcc/software/Python/3.9.6-GCCcore-11.2.0/lib/python3.9/site-packages/scipy (version 1.8.1)
libxc:  5.1.6
units:  Angstrom and eV
cores: 8
OpenMP: False
OMP_NUM_THREADS: 1

|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 10 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 10

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.481841   2.676569   2.773015   2.808852   2.974882   3.043446   3.091568   3.182399   3.296400   3.347779 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.089878   0.324491   0.302047   0.307662   0.440639    0.47552   0.407411   0.439889   0.480191    0.49452 
Dimensionality of Krylov space: 20

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.491667   1.511578   1.538569   1.611546   1.653797   1.750131   1.787376   1.842818   1.894629   1.943185 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.039416    0.22102   0.294573   0.364989   0.266122   0.319169   0.246459   0.287849   0.260662   0.274787 
Dimensionality of Krylov space: 30

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.493622   0.724187   0.910808   0.974169   1.012536   1.115645   1.291904   1.363400   1.546217   1.607995 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.018012   0.231347   0.220809   0.235188   0.423932   0.219612   0.230103   0.233507   0.195489   0.140209 
Dimensionality of Krylov space: 40

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494194   0.333758   0.432248   0.514371   0.541153   0.623688   0.852035   0.979514   1.108736   1.273680 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.006209   0.283112   0.137623   0.203915   0.246748   0.218041    0.24541   0.274467   0.177547   0.209442 
Dimensionality of Krylov space: 50

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494331   0.141033   0.168696   0.232173   0.253985   0.278239   0.549381   0.619356   0.689784   1.010908 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
   0.00347   0.144318   0.105606   0.161181   0.150133   0.130796   0.189585   0.178917   0.206615   0.191752 
Dimensionality of Krylov space: 60

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494368   0.039154   0.063534   0.085583   0.117114   0.128950   0.341079   0.404427   0.452730   0.776857 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001487   0.064656   0.091626   0.089163   0.076102   0.129582   0.256498   0.143605   0.130727   0.084862 
Dimensionality of Krylov space: 70

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494375  -0.010655   0.020853   0.036521   0.039309   0.061586   0.119416   0.249631   0.301275   0.602983 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000706c   0.075872   0.065529    0.09103   0.057311   0.059771   0.086693   0.105822   0.156226   0.336198 
Dimensionality of Krylov space: 79

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494375  -0.048331  -0.011357   0.010108   0.012673   0.031992   0.049137   0.127970   0.205969   0.269727 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000667c   0.071495   0.034405   0.039488   0.037262   0.034755    0.05267   0.110734   0.055206    0.13871 
Dimensionality of Krylov space: 88

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494377  -0.095090  -0.038760  -0.000777   0.003603   0.016812   0.022464   0.041231   0.078907   0.115243 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000566c   0.057033   0.053813   0.024115   0.019382   0.037915   0.027191   0.054631   0.099786    0.11186 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494377  -0.128497  -0.116942  -0.069356  -0.013297   0.000995   0.003129   0.009879   0.015027   0.021170 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000529c   0.029862   0.025769    0.05173   0.068748   0.009753   0.020849   0.041415   0.044953   0.033828 
Dimensionality of Krylov space: 106

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494377  -0.147102  -0.130169  -0.118626  -0.048332   0.000256   0.000684   0.001760   0.004503   0.007451 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000488c   0.029745   0.066741   0.044565   0.051954   0.005551   0.007934   0.013739   0.034369   0.035239 
Dimensionality of Krylov space: 115

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494377  -0.151476  -0.149339  -0.121564  -0.053545   0.000066   0.000217   0.000364   0.001058   0.001576 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000474c   0.013787   0.041451   0.009897   0.015909   0.002668   0.005322   0.006233   0.011281   0.013781 
Dimensionality of Krylov space: 124

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494377  -0.153246  -0.152420  -0.121861  -0.054568   0.000015   0.000063   0.000093   0.000312   0.000437 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000452c   0.008015   0.009011   0.002651   0.006179   0.001234   0.002582    0.00296   0.005646    0.00531 
Dimensionality of Krylov space: 133

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494378  -0.154213  -0.152862  -0.121957  -0.054919   0.000004   0.000021   0.000028   0.000087   0.000141 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000429c   0.003985   0.003792   0.001519   0.002904  0.000729c   0.001167    0.00168   0.002663   0.003826 
Dimensionality of Krylov space: 141

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494378  -0.154469  -0.153000  -0.121985  -0.055012   0.000004   0.000007   0.000010   0.000017   0.000055 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000413c   0.002756   0.001816  0.000825c   0.002024    0.0006c   0.001096  0.000968c   0.001206   0.001426 
Dimensionality of Krylov space: 147

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494378  -0.154545  -0.153046  -0.121990  -0.055050  -0.000012   0.000004   0.000004   0.000011   0.000037 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000392c   0.001945   0.001185  0.000603c   0.001386  0.000771c  0.000517c  0.000487c  0.000344c  0.000514c 
Dimensionality of Krylov space: 150

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494378  -0.154571  -0.153061  -0.121991  -0.055067  -0.000017   0.000003   0.000004   0.000011   0.000037 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000395c   0.001215  0.000699c  0.000578c  0.000787c  0.000608c  0.000663c  0.000543c  0.000392c  0.000465c 
Dimensionality of Krylov space: 151

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.494378  -0.154580  -0.153062  -0.121991  -0.055071  -0.000017   0.000003   0.000004   0.000011   0.000037 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000399c  0.000717c  0.000684c  0.000511c  0.000662c  0.000544c   0.00062c  0.000564c    0.0003c   0.00047c 
Memory usage: 773.49 MiB
Date: Wed Aug  9 02:04:13 2023
