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

User:   aes38@compute-10
Date:   Wed Aug  9 01:18:38 2023
Arch:   x86_64
Pid:    2188951
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/seventhext
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 
 -0.714581   2.366751   2.430079   2.572941   2.613041   2.677128   2.699317   2.724418   2.798104   2.860812 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.010345    0.27643    0.27814   0.279684   0.393023   0.368991   0.263881   0.287805   0.344825   0.279851 
Dimensionality of Krylov space: 20

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.714956   1.256398   1.379337   1.434552   1.488257   1.520873   1.571211   1.595858   1.677606   2.085501 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
   0.00422   0.229842   0.253853   0.211953   0.256891   0.190885   0.292395   0.319259   0.413837   0.340582 
Dimensionality of Krylov space: 30

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715027   0.777460   0.857649   1.038348   1.085057   1.129212   1.268110   1.296799   1.356466   1.368892 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.003039   0.211448   0.245111   0.279291   0.245396   0.203574    0.29884   0.146361   0.200703   0.124824 
Dimensionality of Krylov space: 40

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715043   0.396295   0.590409   0.678020   0.708313   0.727512   0.750815   0.803114   0.830218   1.011637 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001922   0.226954   0.178507   0.183073   0.030205   0.259133   0.212342    0.18996    0.18418   0.180631 
Dimensionality of Krylov space: 50

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715049   0.168294   0.289927   0.370073   0.391349   0.401997   0.466349   0.504530   0.683562   0.701394 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001053   0.122584   0.128973    0.22034   0.203189   0.286914   0.153652   0.175371   0.157943   0.027435 
Dimensionality of Krylov space: 60

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715051   0.036662   0.124842   0.139772   0.173227   0.183042   0.235950   0.272272   0.437522   0.609380 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000529c   0.101429    0.09505   0.123061   0.210851   0.129786   0.136372   0.143893   0.123737   0.080801 
Dimensionality of Krylov space: 69

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715051  -0.022555   0.019133   0.044104   0.050648   0.063272   0.111637   0.128964   0.313798   0.319987 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000191c   0.090448   0.078183   0.087242   0.081205   0.082842   0.093346   0.113209   0.072298   0.243059 
Dimensionality of Krylov space: 78

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.104770  -0.035914  -0.005315   0.000006   0.004092   0.024107   0.050291   0.058467   0.120290 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  7.7e-05c   0.110858    0.02184    0.04537    0.03311   0.067222   0.058855   0.048923   0.027685   0.079361 
Dimensionality of Krylov space: 87

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.198239  -0.057863  -0.038782  -0.023279  -0.004524   0.004882   0.019322   0.039502   0.081376 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.6e-05c   0.099302   0.060228   0.015034    0.03853   0.015131   0.029351   0.036642   0.060775    0.05926 
Dimensionality of Krylov space: 96

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.250038  -0.106470  -0.068874  -0.040023  -0.008090  -0.004983   0.006101   0.009122   0.018872 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  5.2e-05c   0.058482   0.039559   0.081244   0.010266   0.024505   0.013646   0.016599   0.040427   0.039948 
Dimensionality of Krylov space: 105

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.268271  -0.130729  -0.101002  -0.040483  -0.023485  -0.006589   0.001330   0.001871   0.002832 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  4.9e-05c   0.028171   0.031596   0.024905   0.004649   0.040344   0.007342    0.01285   0.012617   0.018652 
Dimensionality of Krylov space: 114

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.270754  -0.136339  -0.103371  -0.042735  -0.040566  -0.007017   0.000304   0.000409   0.000499 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  4.2e-05c     0.0088   0.010077   0.008286   0.030222   0.004057   0.004009   0.006074   0.006028   0.005353 
Dimensionality of Krylov space: 123

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.271194  -0.137319  -0.103794  -0.047761  -0.040651  -0.007210   0.000069   0.000097   0.000134 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  3.5e-05c   0.003113   0.005171   0.005575   0.013313   0.001198   0.002551   0.002239   0.002771   0.003045 
Dimensionality of Krylov space: 132

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.271326  -0.137575  -0.103906  -0.048962  -0.040666  -0.007281   0.000014   0.000023   0.000043 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  3.1e-05c   0.002147   0.003103   0.003508   0.005623  0.000659c   0.001686   0.001475   0.001386   0.001924 
Dimensionality of Krylov space: 140

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.271376  -0.137683  -0.103948  -0.049263  -0.040667  -0.007303   0.000002   0.000006   0.000013 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  2.8e-05c   0.001838   0.002052   0.001851    0.00315  0.000667c   0.001031  0.000446c   0.00066c  0.000816c 
Dimensionality of Krylov space: 145

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.271395  -0.137735  -0.103965  -0.049353  -0.040668  -0.007310   0.000002   0.000006   0.000011 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  2.6e-05c   0.001046   0.001258  0.000854c   0.001862  0.000608c  0.000712c  0.000403c  0.000562c  0.000853c 
Dimensionality of Krylov space: 148

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.271400  -0.137756  -0.103965  -0.049385  -0.040668  -0.007311   0.000002   0.000006   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  2.6e-05c   0.00052c  0.000851c  0.000768c   0.001243  0.000526c  0.000701c  0.000452c  0.000573c  0.000669c 
Dimensionality of Krylov space: 149

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.715052  -0.271401  -0.137757  -0.103965  -0.049400  -0.040668  -0.007311   0.000002   0.000006   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  2.6e-05c  0.000475c  0.000842c  0.000747c  0.000808c  0.000572c  0.000658c  0.000415c  0.000585c  0.000713c 
Memory usage: 776.58 MiB
Date: Wed Aug  9 02:20:12 2023
