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

User:   aes38@compute-10
Date:   Wed Aug  9 01:18:38 2023
Arch:   x86_64
Pid:    2188947
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/secondext
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 7 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 7

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.577640   2.478255   2.542212   2.616532   2.700811   2.737410   2.902355 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.018141   0.234463   0.278694    0.31491    0.26257   0.289276   0.288191 
Dimensionality of Krylov space: 14

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.578702   1.335246   1.499890   1.527743   1.611332   2.186993   2.474915 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.010232   0.191471   0.225123   0.210625   0.256484   0.327222   0.493225 
Dimensionality of Krylov space: 21

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.578983   0.818350   1.138328   1.160829   1.321132   1.414048   1.590193 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.004457   0.164112    0.19621   0.227164   0.193118   0.133412   0.182173 
Dimensionality of Krylov space: 28

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579036   0.633711   0.675729   0.813898   0.944691   0.987619   1.159760 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.002379   0.166739    0.28818   0.223519   0.144576   0.161031   0.181596 
Dimensionality of Krylov space: 35

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579049   0.242230   0.298869   0.621209   0.805532   0.815043   0.847049 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.001614   0.116288   0.134185   0.241611   0.054314   0.088405   0.113791 
Dimensionality of Krylov space: 42

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579054   0.137036   0.212138   0.326541   0.374965   0.470078   0.519816 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000951c   0.063542   0.061808   0.108198   0.151412   0.182644   0.149191 
Dimensionality of Krylov space: 48

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579055   0.090260   0.108441   0.146059   0.183794   0.274577   0.348280 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000696c   0.075845   0.072977   0.061298   0.094918   0.073934   0.113935 
Dimensionality of Krylov space: 54

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579056   0.032408   0.053179   0.112506   0.138458   0.162943   0.203120 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000374c   0.069781   0.066816   0.023747   0.067099   0.033408   0.091303 
Dimensionality of Krylov space: 60

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.015097   0.014498   0.105620   0.111650   0.116482   0.155663 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000183c   0.068579   0.032506   0.024963   0.037384   0.064199   0.019176 
Dimensionality of Krylov space: 66

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.063577   0.004489   0.075504   0.094964   0.103558   0.112652 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000141c   0.067339   0.018665   0.056526   0.075274   0.014183   0.027481 
Dimensionality of Krylov space: 72

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.116493   0.001296   0.029847   0.074520   0.102521   0.108518 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000145c   0.067601   0.010312   0.053788   0.035784   0.009487   0.054726 
Dimensionality of Krylov space: 78

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.139507   0.000334   0.008823   0.033521   0.076784   0.101929 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000132c   0.030048   0.004471   0.042125   0.059965   0.017479   0.006572 
Dimensionality of Krylov space: 84

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.143303   0.000093   0.002038   0.005045   0.075217   0.099644 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000135c   0.009739   0.001877   0.012271    0.02173    0.00526   0.038756 
Dimensionality of Krylov space: 90

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.143999   0.000025   0.000508   0.001100   0.070618   0.075381 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000136c   0.004407   0.001212   0.004351    0.01157   0.023161   0.007421 
Dimensionality of Krylov space: 96

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144170   0.000006   0.000150   0.000273   0.063568   0.075051 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.00014c   0.002642  0.000604c   0.002745   0.005267   0.015095   0.003266 
Dimensionality of Krylov space: 101

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144218   0.000005   0.000042   0.000085   0.061024   0.074635 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.00014c    0.00134  0.000677c   0.001782   0.002593   0.015528    0.01408 
Dimensionality of Krylov space: 106

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144233   0.000005   0.000012   0.000027   0.058718   0.064180 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.00014c  0.000748c   0.00061c  0.000932c   0.001467   0.014573   0.022601 
Dimensionality of Krylov space: 109

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144233   0.000005   0.000007   0.000011   0.051514   0.060088 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000139c   0.00077c  0.000617c   0.00084c  0.000791c    0.02646   0.009924 
Dimensionality of Krylov space: 111

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144233   0.000005   0.000007   0.000010   0.027540   0.058907 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000139c   0.00076c  0.000544c  0.000722c   0.00076c    0.03061   0.006665 
Dimensionality of Krylov space: 113

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144233   0.000004   0.000006   0.000010   0.006900   0.058208 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000139c  0.000775c  0.000591c   0.00077c  0.000862c    0.02686   0.007587 
Dimensionality of Krylov space: 115

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144233   0.000004   0.000006   0.000010   0.001537   0.057729 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000138c  0.000791c  0.000591c  0.000613c  0.000798c   0.014112   0.005822 
Dimensionality of Krylov space: 117

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144233   0.000004   0.000006   0.000010   0.000362   0.057157 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000138c    0.0008c  0.000583c  0.000636c  0.000781c    0.00633   0.008906 
Dimensionality of Krylov space: 119

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000010   0.000097   0.032502 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000139c  0.000784c  0.000597c  0.000636c  0.000785c   0.002879     0.0412 
Dimensionality of Krylov space: 121

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000010   0.000027   0.010613 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000137c  0.000746c  0.000509c  0.000597c  0.000821c   0.001503   0.028114 
Dimensionality of Krylov space: 123

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000007   0.000010   0.003019 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000137c  0.000685c  0.000651c  0.000634c  0.000699c  0.000815c   0.015038 
Dimensionality of Krylov space: 124

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000007   0.000010   0.000796 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000134c   0.00068c  0.000721c  0.000627c  0.000657c  0.000748c   0.007537 
Dimensionality of Krylov space: 125

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000007   0.000010   0.000246 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000131c   0.00066c  0.000664c  0.000671c  0.000672c  0.000773c   0.004189 
Dimensionality of Krylov space: 126

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000006   0.000010   0.000064 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000131c  0.000631c  0.000701c  0.000664c  0.000666c  0.000701c   0.002194 
Dimensionality of Krylov space: 127

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.579057  -0.144234   0.000004   0.000006   0.000006   0.000009   0.000017 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000132c  0.000624c  0.000654c  0.000728c  0.000683c  0.000712c  0.000913c 
Memory usage: 782.42 MiB
Date: Wed Aug  9 02:14:36 2023
