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

User:   aes38@compute-18
Date:   Wed Aug  9 01:18:25 2023
Arch:   x86_64
Pid:    212348
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/sixthext
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 
 -0.641513   2.407896   2.458445   2.568599   2.608291   2.650498   2.753869   2.862534   2.896861   2.974220 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.072106   0.306983   0.266737   0.262863   0.269703   0.364639   0.258057    0.28598   0.285549    0.49041 
Dimensionality of Krylov space: 20

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.658010   1.314301   1.390446   1.428332   1.458854   1.493454   1.555075   1.593331   1.651774   2.783307 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.018254      0.261   0.227971   0.257387   0.203116   0.216735   0.255192   0.297805   0.269094   0.254183 
Dimensionality of Krylov space: 30

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659362   0.885825   0.910900   0.945142   0.977164   1.059864   1.147462   1.283968   1.352873   1.834647 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.010114   0.186121   0.187375   0.183923    0.16573   0.159969   0.194801   0.191074   0.139356   0.218848 
Dimensionality of Krylov space: 40

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659599   0.486678   0.530651   0.586249   0.687380   0.896937   0.958295   0.973032   1.074418   1.215073 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.004458   0.217216   0.153107   0.139414   0.148445   0.220169    0.12795   0.177493   0.173445   0.181405 
Dimensionality of Krylov space: 50

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659646   0.187311   0.282088   0.328567   0.412519   0.536046   0.676598   0.751087   0.977197   1.094723 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001983   0.155457   0.195477   0.163056   0.296123   0.172756   0.183099   0.194991   0.116708   0.173277 
Dimensionality of Krylov space: 60

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659655   0.026740   0.093044   0.117880   0.149562   0.210986   0.265960   0.498116   0.722386   0.899037 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001016   0.141349   0.104146   0.084505   0.094064    0.15962   0.173909   0.218408    0.14093   0.031104 
Dimensionality of Krylov space: 70

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.065986   0.028249   0.051269   0.067688   0.089374   0.124067   0.408371   0.553744   0.563959 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000414c   0.111163   0.077223   0.070081   0.078888   0.061366   0.082296   0.113834   0.103681   0.092456 
Dimensionality of Krylov space: 79

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.131204   0.005673   0.018178   0.029710   0.038137   0.059136   0.224626   0.274426   0.363297 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000374c   0.090027   0.036387   0.041605   0.041404    0.06401   0.052758   0.192571     0.1901   0.193246 
Dimensionality of Krylov space: 88

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.207796  -0.005765   0.002456   0.008867   0.012055   0.026544   0.089561   0.114091   0.143979 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000339c   0.086464   0.024912   0.028458   0.033136   0.038381   0.051316   0.058491   0.111152   0.107248 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.236903  -0.023798  -0.007124  -0.000822   0.002166   0.008730   0.037064   0.042288   0.083777 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000324c   0.035286   0.044076   0.024817   0.020088   0.013583    0.02297   0.061514   0.067991   0.080102 
Dimensionality of Krylov space: 106

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.240891  -0.048126  -0.027776  -0.021879   0.000506   0.001821   0.004414   0.009018   0.016840 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000309c   0.013858   0.025237   0.052106   0.052808   0.006129   0.012869   0.026646   0.029788   0.027777 
Dimensionality of Krylov space: 115

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.241775  -0.055336  -0.050256  -0.044670   0.000122   0.000357   0.000638   0.002249   0.003316 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000278c   0.004765   0.028294   0.030337   0.012777   0.003243   0.007446   0.006911    0.01833   0.015685 
Dimensionality of Krylov space: 124

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.241971  -0.062958  -0.052565  -0.046015   0.000031   0.000103   0.000185   0.000558   0.000785 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000272c    0.00252   0.011948   0.007286   0.005603   0.001318   0.002007   0.002431   0.008718   0.010009 
Dimensionality of Krylov space: 133

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.242027  -0.064321  -0.052890  -0.046318   0.000003   0.000034   0.000078   0.000163   0.000229 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000251c   0.001234   0.004581   0.004869   0.002372  0.000854c   0.001316   0.001859   0.003598   0.004776 
Dimensionality of Krylov space: 141

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.242045  -0.064641  -0.052978  -0.046404  -0.000003   0.000016   0.000024   0.000040   0.000118 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000225c  0.000565c   0.002988   0.002961   0.001331  0.000843c  0.000786c    0.00124   0.001901   0.001099 
Dimensionality of Krylov space: 147

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.242046  -0.064761  -0.053015  -0.046431  -0.000006   0.000002   0.000006   0.000018   0.000101 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000214c   0.00059c   0.001396   0.001359  0.000805c  0.000877c  0.000735c  0.000992c  0.000717c  0.000565c 
Dimensionality of Krylov space: 149

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.659657  -0.242046  -0.064807  -0.053028  -0.046433  -0.000006   0.000001   0.000006   0.000017   0.000100 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000211c  0.000707c  0.000945c  0.000701c  0.000879c  0.000858c  0.000692c   0.00093c  0.000667c  0.000666c 
Memory usage: 784.89 MiB
Date: Wed Aug  9 02:14:04 2023
