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

User:   aes38@compute-21
Date:   Wed Aug  9 01:21:25 2023
Arch:   x86_64
Pid:    206855
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/fifthext
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 9 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 9

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.410652   2.452620   2.518347   2.604711   2.666985   2.698184   2.776389   2.806820   2.849323 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.008337   0.309977   0.279662   0.251873   0.284416   0.317708   0.296594   0.278482   0.305239 
Dimensionality of Krylov space: 18

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.410877   1.299284   1.458419   1.545083   1.576354   1.613746   1.629066   1.648620   2.405355 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
   0.00645   0.257459   0.232023    0.21853   0.210891   0.243745   0.242209    0.30951   0.237952 
Dimensionality of Krylov space: 27

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.410987   0.677683   0.852627   0.874366   1.005739   1.053571   1.138155   1.188665   1.264087 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.003177   0.237994   0.240121   0.274953   0.223664    0.21612    0.18299   0.219269   0.169202 
Dimensionality of Krylov space: 36

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411019   0.302438   0.399981   0.525902   0.570004   0.609972   0.713343   0.796316   0.925717 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.001681   0.198035   0.257511   0.157582   0.193524    0.24047   0.229319   0.192863   0.360345 
Dimensionality of Krylov space: 45

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411030   0.125595   0.170839   0.276389   0.287165   0.376855   0.494386   0.512543   0.560069 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000927c   0.088759   0.089502   0.181387   0.167029   0.084985   0.227445   0.217188   0.129644 
Dimensionality of Krylov space: 53

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411031   0.056120   0.059593   0.104657   0.124366   0.198941   0.312417   0.344672   0.444372 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000801c   0.044676   0.072262   0.118647   0.112037   0.156538   0.093516   0.087594   0.191141 
Dimensionality of Krylov space: 61

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411032   0.018592   0.026104   0.034984   0.052039   0.108385   0.193333   0.273946   0.336982 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000638c   0.048444   0.034056   0.050172   0.057216   0.079601   0.105035   0.114103   0.054102 
Dimensionality of Krylov space: 69

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.004960   0.005875   0.009379   0.020673   0.027320   0.068225   0.106851   0.161983 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000339c   0.022132   0.042586   0.032213   0.050517   0.033629   0.061963   0.060777   0.108065 
Dimensionality of Krylov space: 77

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.024818  -0.006115  -0.003111   0.000468   0.011201   0.042079   0.061910   0.095400 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000318c   0.057789   0.014027   0.021007   0.025665   0.021056   0.050064   0.057392   0.046866 
Dimensionality of Krylov space: 85

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.081043  -0.019688  -0.006510  -0.004032   0.003706   0.017349   0.023605   0.035368 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000306c   0.065431   0.055802   0.006194   0.014734   0.017151    0.03663   0.040773   0.051645 
Dimensionality of Krylov space: 93

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.120617  -0.057013  -0.023385  -0.006319   0.001203   0.003243   0.006065   0.014802 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.00029c    0.03673   0.038116   0.071942   0.004341   0.010921   0.018863   0.035654   0.033092 
Dimensionality of Krylov space: 101

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.127003  -0.066079  -0.058340  -0.006425   0.000325   0.001008   0.001678   0.003059 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000307c   0.016442   0.025484   0.031199   0.002203   0.007253   0.008349    0.01171   0.015706 
Dimensionality of Krylov space: 109

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128286  -0.069320  -0.064537  -0.006467   0.000041   0.000415   0.000609   0.000701 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000277c   0.005713   0.010983   0.009828   0.001152   0.002532   0.004568   0.005335    0.00452 
Dimensionality of Krylov space: 117

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128539  -0.070259  -0.065410  -0.006484  -0.000033   0.000209   0.000401   0.000491 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000229c   0.003313   0.003445   0.006874  0.000861c   0.001446   0.002769   0.002348    0.00212 
Dimensionality of Krylov space: 124

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128612  -0.070499  -0.065695  -0.006486  -0.000047   0.000129   0.000353   0.000446 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000218c   0.002496    0.00232   0.003254  0.000886c  0.000947c    0.00153   0.001048    0.00126 
Dimensionality of Krylov space: 130

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128640  -0.070611  -0.065808  -0.006489  -0.000052   0.000091   0.000343   0.000425 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000216c   0.001765   0.001782   0.001808  0.000979c  0.000848c   0.001271  0.000436c   0.001219 
Dimensionality of Krylov space: 135

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128652  -0.070648  -0.065846  -0.006491  -0.000059   0.000053   0.000342   0.000386 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000215c   0.001113   0.001377  0.000903c  0.000787c  0.000974c   0.001509  0.000452c   0.002166 
Dimensionality of Krylov space: 139

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070663  -0.065852  -0.006493  -0.000074  -0.000001   0.000267   0.000342 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000216c  0.000761c  0.000954c   0.001274  0.000753c   0.001089   0.001545   0.001939  0.000379c 
Dimensionality of Krylov space: 143

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070664  -0.065862  -0.006495  -0.000092  -0.000021   0.000201   0.000342 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000214c  0.000763c  0.000953c   0.00055c  0.000755c  0.000809c  0.000718c   0.001821  0.000358c 
Dimensionality of Krylov space: 144

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070664  -0.065862  -0.006496  -0.000099  -0.000024   0.000175   0.000342 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000215c  0.000763c  0.000952c  0.000558c  0.000774c   0.00059c  0.000441c   0.001125  0.000357c 
Dimensionality of Krylov space: 145

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070665  -0.065862  -0.006498  -0.000101  -0.000024   0.000142   0.000342 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000213c  0.000763c   0.00095c  0.000574c  0.000698c  0.000626c  0.000435c   0.001369  0.000351c 
Dimensionality of Krylov space: 146

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070665  -0.065862  -0.006499  -0.000103  -0.000027   0.000062   0.000342 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000207c   0.00076c  0.000949c  0.000523c  0.000655c  0.000604c  0.000696c   0.002102  0.000375c 
Dimensionality of Krylov space: 147

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070665  -0.065862  -0.006499  -0.000105  -0.000045   0.000002   0.000315 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000206c   0.00076c  0.000947c  0.000525c  0.000633c  0.000627c   0.001322   0.001167   0.001541 
Dimensionality of Krylov space: 150

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.411033  -0.128658  -0.070666  -0.065862  -0.006500  -0.000106  -0.000061  -0.000008   0.000298 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000203c  0.000761c  0.000947c  0.000491c  0.000594c  0.000485c  0.000681c  0.000351c  0.000488c 
Memory usage: 787.05 MiB
Date: Wed Aug  9 02:18:52 2023
