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

User:   aes38@compute-8
Date:   Wed Aug  9 01:18:34 2023
Arch:   x86_64
Pid:    247937
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/eighthext
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 14 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 14

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.834265   2.296391   2.332817   2.466142   2.498848   2.513945   2.565074   2.603266   2.668360   2.704116   2.855959   2.935766   2.946843   3.028925 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.034298   0.276538   0.231786   0.245423   0.273842   0.241341   0.341175   0.230768   0.430627   0.394222   0.306906   0.289493   0.316978   0.284083 
Dimensionality of Krylov space: 28

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836167   1.270705   1.383360   1.394637   1.456642   1.482809   1.546884   1.583919   1.625621   1.666820   1.677689   1.725929   1.740390   1.890195 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.011496   0.186532     0.2245    0.28262    0.29871   0.224016   0.160578   0.203379   0.192299   0.212076   0.228027   0.304607   0.207828    0.33259 
Dimensionality of Krylov space: 42

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836526   0.743697   0.806993   0.869407   0.897570   1.024596   1.048817   1.161296   1.180717   1.205672   1.261821   1.293399   1.372621   1.507339 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.005064   0.210275   0.216618   0.181596   0.201944   0.203062   0.236648   0.157398   0.218061    0.14505   0.195456   0.183535   0.174367   0.214812 
Dimensionality of Krylov space: 56

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836562   0.294316   0.348145   0.398807   0.464178   0.646797   0.688987   0.741883   0.833576   0.893698   0.925892   0.942616   1.142695   1.259569 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.002448   0.259695   0.176126   0.217378   0.289392   0.181156   0.200858   0.206458   0.246131   0.199293   0.184299   0.181445   0.187549   0.145901 
Dimensionality of Krylov space: 70

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836570   0.014644   0.115351   0.152785   0.177858   0.304008   0.354818   0.374841   0.432504   0.443736   0.479985   0.611776   0.842121   0.918795 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.001024   0.186094    0.10416   0.119833   0.084484    0.18275   0.247299   0.255239   0.119454   0.213014   0.220946   0.184947   0.322695   0.230415 
Dimensionality of Krylov space: 84

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.087909  -0.006181   0.029495   0.058156   0.063793   0.138871   0.167677   0.232023   0.306868   0.314923   0.357790   0.373565   0.414248 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000339c   0.151662   0.082532   0.058065   0.125879   0.080789   0.098917   0.102564   0.145215   0.084665   0.073094    0.14593   0.080201   0.136523 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.185607  -0.078100  -0.029737  -0.007485   0.007322   0.020986   0.052722   0.066150   0.103373   0.130997   0.243705   0.312292   0.338354 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000337c   0.131219    0.09652   0.064015   0.067377   0.049708   0.073297   0.072176   0.125388   0.096003   0.072513   0.149784   0.047159   0.033706 
Dimensionality of Krylov space: 110

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.278970  -0.108686  -0.089912  -0.080584  -0.052275  -0.027069  -0.000029   0.009679   0.017090   0.056007   0.060756   0.110478   0.129485 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000337c   0.090414   0.017886   0.073268   0.102255    0.06446   0.043544   0.037295    0.02254   0.036174   0.041241   0.055829   0.144941   0.078756 
Dimensionality of Krylov space: 123

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.349017  -0.162052  -0.139625  -0.108065  -0.094493  -0.078185  -0.026330  -0.002091   0.003507   0.014740   0.022936   0.026268   0.037491 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000332c   0.068518   0.041455   0.073126   0.014621   0.043423   0.045052    0.03942    0.01986   0.015871    0.02623   0.049953   0.050608   0.059384 
Dimensionality of Krylov space: 136

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.382564  -0.200288  -0.182160  -0.150588  -0.108594  -0.086296  -0.062615  -0.019278   0.000815   0.002475   0.003503   0.008673   0.013867 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000323c   0.027176   0.038225   0.030882    0.04672   0.008346   0.012237   0.050743   0.016174   0.005567   0.020377   0.019302   0.046461   0.029052 
Dimensionality of Krylov space: 149

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.389163  -0.219458  -0.188503  -0.167186  -0.108749  -0.087315  -0.073299  -0.021811  -0.000710   0.000207   0.000646   0.001329   0.002696 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000307c   0.010394     0.0158    0.01085   0.014811   0.004044   0.005145   0.014808    0.00806   0.013011   0.003413   0.007771   0.009161   0.013317 
Dimensionality of Krylov space: 162

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390200  -0.220822  -0.189770  -0.169042  -0.108801  -0.087594  -0.075194  -0.022297  -0.001719   0.000018   0.000112   0.000235   0.000613 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.00029c    0.00391   0.005103   0.005315   0.005502   0.001385   0.002826   0.007434   0.004459   0.008761   0.002285    0.00406   0.003517   0.006054 
Dimensionality of Krylov space: 175

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390455  -0.221047  -0.190112  -0.169525  -0.108815  -0.087683  -0.075634  -0.022406  -0.002430  -0.000132  -0.000035   0.000031   0.000178 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000266c   0.002527   0.001858   0.003818    0.00361  0.000467c   0.001516   0.003047   0.002075   0.005558   0.003339   0.00096c   0.001998   0.002111 
Dimensionality of Krylov space: 186

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390510  -0.221096  -0.190230  -0.169652  -0.108817  -0.087708  -0.075747  -0.022439  -0.002988  -0.000232  -0.000063  -0.000021   0.000132 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.00024c   0.001322   0.001072   0.002251   0.002024  0.000434c   0.00089c   0.001614   0.001108   0.003484   0.001841   0.001076   0.00088c  0.000723c 
Dimensionality of Krylov space: 195

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390523  -0.221106  -0.190265  -0.169691  -0.108817  -0.087711  -0.075778  -0.022447  -0.003230  -0.000284  -0.000077  -0.000024   0.000129 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000228c   0.00058c   0.00094c   0.001242   0.001112   0.00035c  0.000619c  0.000705c  0.000726c   0.002019   0.001193  0.000556c  0.000843c  0.000762c 
Dimensionality of Krylov space: 199

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390524  -0.221107  -0.190275  -0.169702  -0.108817  -0.087713  -0.075781  -0.022448  -0.003269  -0.000318  -0.000077  -0.000026   0.000128 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000229c  0.000495c   0.00094c  0.000722c  0.000528c  0.000354c  0.000541c  0.000652c  0.000534c   0.002951   0.00099c  0.000575c  0.000674c  0.000921c 
Dimensionality of Krylov space: 200

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390524  -0.221107  -0.190275  -0.169703  -0.108817  -0.087713  -0.075781  -0.022448  -0.003330  -0.000333  -0.000078  -0.000028   0.000124 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000229c   0.00045c   0.00094c   0.00072c  0.000559c  0.000351c  0.000539c  0.000627c  0.000544c   0.001087   0.001404  0.000595c   0.001015  0.000986c 
Dimensionality of Krylov space: 203

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390524  -0.221107  -0.190275  -0.169703  -0.108817  -0.087713  -0.075781  -0.022448  -0.003348  -0.000351  -0.000079  -0.000036   0.000112 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000229c   0.00045c   0.00094c  0.000726c  0.000504c   0.00035c  0.000519c  0.000669c  0.000537c  0.000725c   0.001436  0.000591c  0.000557c   0.001946 
Dimensionality of Krylov space: 205

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390524  -0.221107  -0.190276  -0.169703  -0.108817  -0.087713  -0.075782  -0.022449  -0.003351  -0.000364  -0.000079  -0.000042   0.000038 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000228c  0.000457c   0.00094c  0.000733c  0.000558c  0.000367c  0.000528c  0.000573c  0.000552c  0.000465c   0.001322   0.00058c  0.000993c   0.001982 
Dimensionality of Krylov space: 207

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390525  -0.221107  -0.190276  -0.169703  -0.108817  -0.087713  -0.075783  -0.022449  -0.003352  -0.000374  -0.000080  -0.000050   0.000004 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000227c  0.000454c   0.00094c  0.000734c  0.000566c  0.000369c  0.000534c  0.000571c  0.000543c  0.000533c   0.001335  0.000591c  0.000575c  0.000924c 
Dimensionality of Krylov space: 208

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390525  -0.221107  -0.190276  -0.169703  -0.108817  -0.087713  -0.075783  -0.022449  -0.003352  -0.000381  -0.000081  -0.000051   0.000000 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000227c  0.000452c   0.00094c  0.000734c  0.000563c  0.000375c  0.000531c  0.000602c  0.000518c  0.000519c   0.001296  0.000597c  0.000457c  0.000671c 
Dimensionality of Krylov space: 209

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390525  -0.221107  -0.190276  -0.169703  -0.108817  -0.087713  -0.075784  -0.022449  -0.003352  -0.000389  -0.000081  -0.000051  -0.000001 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000227c   0.00045c  0.000939c  0.000732c  0.000549c  0.000355c  0.000533c  0.000633c  0.000505c  0.000524c   0.001218  0.000596c  0.000442c  0.000602c 
Dimensionality of Krylov space: 210

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390525  -0.221107  -0.190276  -0.169703  -0.108817  -0.087713  -0.075784  -0.022449  -0.003352  -0.000395  -0.000081  -0.000051  -0.000001 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000227c   0.00045c  0.000939c  0.000731c  0.000564c  0.000366c  0.000534c  0.000664c  0.000507c  0.000507c   0.001098  0.000613c   0.00044c  0.000581c 
Dimensionality of Krylov space: 211

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.836572  -0.390525  -0.221107  -0.190276  -0.169703  -0.108817  -0.087713  -0.075784  -0.022449  -0.003353  -0.000403  -0.000081  -0.000051  -0.000002 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000227c  0.000449c  0.000939c  0.000731c  0.000543c  0.000363c  0.000535c  0.000681c  0.000506c  0.000524c  0.000941c  0.000667c  0.000516c  0.000714c 
Memory usage: 777.92 MiB
Date: Wed Aug  9 02:15:44 2023
