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

User:   aes38@compute-81
Date:   Wed Aug  9 02:29:52 2023
Arch:   x86_64
Pid:    318867
CWD:    /users/home/aes38/Rydberg/new/ethylene/complex/lcao/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 15 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 15

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.380221  -0.373648   2.421442   2.486424   2.501724   2.525760   2.558724   2.589914   2.605437   2.666939   2.700423   2.775210   2.797102   2.847863   2.884348 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.011188  0.000247c   0.195822   0.238016   0.256962   0.225584   0.194831   0.238411    0.28906   0.243723   0.212104   0.264695   0.217688   0.288175   0.226829 
Dimensionality of Krylov space: 29

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.380765  -0.373648   1.293609   1.353872   1.400849   1.430346   1.446965   1.458854   1.482386   1.522636   1.584908   1.681121   2.520148   2.542993   2.620224 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.008209  0.000249c    0.19196   0.234779   0.223107   0.166408   0.209336   0.187278   0.270858   0.258034   0.226112   0.357599   0.456447   0.139687   0.185075 
Dimensionality of Krylov space: 43

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.380917  -0.373648   0.695137   0.838930   0.850153   0.882871   0.907329   0.952117   0.975651   1.025489   1.240753   1.312146   1.321713   1.373444   1.395143 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.005153  0.000251c   0.166124   0.289275   0.141697   0.201753   0.180179   0.228347   0.187673   0.214457   0.275678   0.120983   0.300179   0.161586   0.109291 
Dimensionality of Krylov space: 57

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.380965  -0.373648   0.313148   0.438542   0.453493   0.463075   0.507721   0.605475   0.628566   0.646335   0.790086   0.840917   0.909293   0.990247   1.281879 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.004717  0.000256c   0.135764    0.25602   0.182472   0.186882   0.159109   0.123335   0.174645   0.193608   0.390488   0.202723   0.149162   0.189414   0.122376 
Dimensionality of Krylov space: 71

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.380989  -0.373648   0.164959   0.174651   0.187081   0.208457   0.257118   0.311360   0.364476   0.397518   0.416041   0.501868   0.535572   0.720158   0.737686 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.002089  0.000257c   0.141447   0.065886    0.12371   0.148292   0.165391   0.170788   0.192306   0.203828   0.211874   0.174319   0.186843   0.198851    0.13441 
Dimensionality of Krylov space: 85

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.380998  -0.373648   0.052873   0.063871   0.082203   0.085262   0.108880   0.136638   0.162194   0.185412   0.231765   0.256720   0.297007   0.335800   0.377439 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.001181  0.000258c   0.054726    0.06235   0.073903   0.063792   0.046652   0.082904   0.066008   0.127912   0.093071   0.083654   0.135716    0.08767   0.145814 
Dimensionality of Krylov space: 99

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381004  -0.373648   0.005303   0.013217   0.017389   0.031250   0.045204   0.056712   0.077213   0.090894   0.109334   0.116839   0.149401   0.162858   0.199756 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000406c  0.000255c    0.04254   0.038351   0.053203   0.042553    0.03753   0.062675   0.050694   0.061751   0.068243   0.086092    0.04777   0.071054   0.084314 
Dimensionality of Krylov space: 112

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.019970  -0.009989  -0.002325   0.005123   0.013279   0.018821   0.021745   0.039043   0.052211   0.056014   0.070774   0.107242   0.145547 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000205c  0.000255c   0.033547   0.024789   0.021969   0.051997   0.037219   0.051395   0.039605   0.038188   0.050672   0.042905   0.068875   0.020213   0.012771 
Dimensionality of Krylov space: 125

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.049856  -0.036289  -0.018985  -0.013945   0.000978   0.002809   0.006807   0.011976   0.020170   0.031564   0.035045   0.056013   0.104478 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.00015c  0.000251c   0.065552   0.032728   0.035545   0.027929    0.01698   0.023835   0.020543   0.040842   0.043444   0.049923   0.046669   0.019215   0.018671 
Dimensionality of Krylov space: 138

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.094926  -0.073478  -0.054687  -0.042789  -0.011509  -0.003333   0.000480   0.001686   0.002540   0.004001   0.010266   0.023592   0.034399 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000115c  0.000252c   0.047922   0.043307   0.045672   0.015065   0.021348   0.018112   0.021196   0.011899   0.014123   0.017319   0.034359   0.043628   0.059735 
Dimensionality of Krylov space: 151

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.123674  -0.101939  -0.082817  -0.065061  -0.044761  -0.014524  -0.005403   0.000274   0.000421   0.000737   0.000994   0.001329   0.003600 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  9.6e-05c  0.000258c   0.031453   0.021605   0.023051   0.029968   0.007599   0.035659   0.010215   0.007373    0.00449    0.00629     0.0085   0.010607   0.014481 
Dimensionality of Krylov space: 164

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.137140  -0.115557  -0.102261  -0.076514  -0.051091  -0.044905  -0.007126  -0.002098   0.000043   0.000164   0.000172   0.000232   0.000732 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  8.7e-05c  0.000261c   0.011417   0.019033   0.013572   0.008581   0.036335   0.005159   0.017262   0.019303   0.003248   0.004053   0.002788   0.004707    0.00732 
Dimensionality of Krylov space: 177

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138064  -0.121267  -0.103430  -0.078440  -0.064116  -0.046577  -0.045094  -0.006980  -0.000083   0.000035   0.000050   0.000061   0.000160 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  8.7e-05c  0.000271c   0.008323   0.010504   0.005719    0.00371   0.015627   0.020218   0.001787   0.004738   0.002226   0.002641   0.001828   0.002016   0.002503 
Dimensionality of Krylov space: 190

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138300  -0.122265  -0.103674  -0.078818  -0.066357  -0.050283  -0.045134  -0.007260  -0.000479   0.000008   0.000014   0.000017   0.000034 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
    8e-05c  0.000276c   0.004762   0.006417   0.003587    0.00249   0.006489    0.01162    0.00106   0.003418   0.009386   0.00096c  0.000893c  0.000911c    0.00155 
Dimensionality of Krylov space: 200

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138378  -0.122503  -0.103763  -0.078894  -0.066794  -0.051220  -0.045148  -0.007394  -0.001337   0.000007   0.000008   0.000013   0.000014 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  7.8e-05c  0.000274c   0.002029   0.003307   0.002172   0.001177   0.002688   0.007043  0.000654c   0.002213   0.006046  0.000624c  0.000719c   0.001118  0.000881c 
Dimensionality of Krylov space: 209

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138403  -0.122558  -0.103797  -0.078910  -0.066885  -0.051499  -0.045149  -0.007453  -0.001569   0.000003   0.000005   0.000007   0.000012 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  7.8e-05c  0.000277c  0.000944c   0.001439   0.001293  0.000616c    0.00103   0.003878  0.000664c   0.001596   0.002159  0.000392c  0.000745c  0.000857c  0.000766c 
Dimensionality of Krylov space: 215

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138405  -0.122572  -0.103810  -0.078912  -0.066904  -0.051610  -0.045150  -0.007476  -0.001609   0.000003   0.000005   0.000006   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  7.7e-05c  0.000273c  0.000651c  0.000551c  0.000668c  0.000532c  0.000555c    0.00174  0.000645c  0.000849c  0.000793c  0.000353c  0.000647c  0.000646c   0.00065c 
Dimensionality of Krylov space: 216

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138405  -0.122573  -0.103810  -0.078912  -0.066904  -0.051648  -0.045150  -0.007477  -0.001610   0.000003   0.000005   0.000006   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  7.7e-05c  0.000274c  0.000671c  0.000493c  0.000669c  0.000498c  0.000555c   0.001103  0.000647c  0.000763c  0.000732c  0.000339c  0.000632c  0.000657c  0.000653c 
Dimensionality of Krylov space: 217

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.381005  -0.373648  -0.138405  -0.122573  -0.103810  -0.078912  -0.066904  -0.051662  -0.045150  -0.007477  -0.001610   0.000003   0.000005   0.000006   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  7.6e-05c  0.000273c  0.000699c  0.000512c  0.000666c  0.000499c  0.000551c  0.000614c  0.000651c  0.000819c  0.000742c  0.000339c  0.000643c  0.000641c   0.00067c 
Memory usage: 794.50 MiB
Date: Wed Aug  9 03:14:07 2023
