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

User:   aes38@compute-22
Date:   Wed Aug  9 01:21:22 2023
Arch:   x86_64
Pid:    212338
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 
 -0.380222   2.417240   2.480085   2.530350   2.608790   2.632546   2.662685   2.770409   2.807596   2.857890 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.011378   0.355686   0.253999   0.265562   0.262691   0.355409   0.248612   0.380659   0.266826   0.250903 
Dimensionality of Krylov space: 20

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.380766   1.336850   1.385209   1.423124   1.484739   1.524439   1.547345   1.576531   1.642874   1.809175 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.007884   0.252006   0.218763   0.240391   0.193911   0.251783    0.30421   0.217943   0.269026   0.362616 
Dimensionality of Krylov space: 30

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.380918   0.819331   0.871742   0.918945   0.989009   1.042546   1.198836   1.258474   1.318750   1.391025 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
   0.00476   0.184158   0.207364   0.196257   0.199006   0.257718   0.147292   0.202626   0.252478   0.193025 
Dimensionality of Krylov space: 40

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.380967   0.454808   0.484958   0.492244   0.634837   0.657162   0.694779   0.795427   0.863201   1.152638 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.004363   0.257965   0.174282   0.295181   0.146381   0.156005   0.311063   0.324437   0.181978   0.122022 
Dimensionality of Krylov space: 50

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.380990   0.143888   0.212658   0.242169   0.328873   0.348714   0.415187   0.487371   0.537034   0.620159 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001952   0.120511   0.097778   0.211048   0.167601   0.191456   0.160693   0.179819   0.158572   0.068212 
Dimensionality of Krylov space: 60

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.380999   0.032394   0.085775   0.097409   0.103899   0.142418   0.189500   0.257512   0.309173   0.420825 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  0.001031   0.077819    0.07787   0.062553   0.114117   0.111593   0.221316   0.123975   0.113872    0.11128 
Dimensionality of Krylov space: 70

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.010390   0.025481   0.034182   0.040881   0.053794   0.069691   0.119354   0.161011   0.258966 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000323c   0.048315   0.049666   0.040353   0.043729   0.041886   0.064542   0.093581   0.083562   0.169564 
Dimensionality of Krylov space: 79

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.051833  -0.000109   0.003324   0.007598   0.024853   0.040995   0.049934   0.058046   0.078722 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
 0.000105c   0.067701   0.054187   0.044519   0.031828   0.054768   0.049259   0.051495   0.052214   0.136294 
Dimensionality of Krylov space: 88

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.097831  -0.043476  -0.006928  -0.003417   0.002369   0.012198   0.016764   0.022434   0.045541 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  8.7e-05c   0.042896   0.021167   0.031143   0.017876   0.017755   0.048564   0.041658   0.054199   0.057064 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.115287  -0.056431  -0.043365  -0.008225  -0.006216   0.000702   0.003325   0.005551   0.006527 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  8.7e-05c   0.032606   0.059466   0.023664   0.023393   0.011755   0.007037   0.012883   0.022553   0.020746 
Dimensionality of Krylov space: 106

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.132319  -0.095830  -0.044806  -0.027518  -0.007048   0.000141   0.000889   0.001558   0.001636 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  8.8e-05c   0.030142    0.03154   0.008191   0.050671   0.004943   0.003471   0.008813   0.011593   0.010831 
Dimensionality of Krylov space: 115

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.137223  -0.102484  -0.045208  -0.045063  -0.007308   0.000036   0.000210   0.000453   0.000498 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
    8e-05c   0.011707   0.015443   0.019571   0.003702   0.003101   0.001679   0.005172   0.005098   0.004972 
Dimensionality of Krylov space: 124

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.138093  -0.103437  -0.049633  -0.045130  -0.007402   0.000009   0.000046   0.000113   0.000157 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.6e-05c   0.005847   0.005352   0.009596   0.001235   0.002481   0.00075c   0.001571   0.002456   0.003494 
Dimensionality of Krylov space: 132

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.138319  -0.103698  -0.051016  -0.045149  -0.007449   0.000008   0.000011   0.000026   0.000037 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.7e-05c   0.003695   0.002786   0.006604   0.00079c   0.001604  0.000643c  0.000756c   0.001257   0.002097 
Dimensionality of Krylov space: 138

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.138385  -0.103780  -0.051467  -0.045151  -0.007471   0.000006   0.000008   0.000009   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.8e-05c   0.001944   0.001659   0.003622  0.000606c   0.001159  0.000923c  0.000602c  0.000825c  0.000659c 
Dimensionality of Krylov space: 142

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.138405  -0.103804  -0.051618  -0.045152  -0.007481   0.000005   0.000007   0.000008   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.7e-05c  0.000744c  0.000905c   0.002613  0.000557c  0.000735c  0.000718c  0.000605c  0.000602c  0.000675c 
Dimensionality of Krylov space: 143

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.138405  -0.103805  -0.051656  -0.045152  -0.007482   0.000005   0.000007   0.000008   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.8e-05c   0.00068c  0.000885c   0.001256  0.000558c  0.000565c  0.000718c  0.000578c  0.000561c  0.000708c 
Dimensionality of Krylov space: 144

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10 
 -0.381005  -0.138405  -0.103805  -0.051666  -0.045152  -0.007482   0.000005   0.000007   0.000008   0.000010 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10 
  6.7e-05c  0.000645c  0.000829c  0.000587c  0.000558c  0.000609c  0.000731c  0.000597c  0.000568c  0.000708c 
Memory usage: 784.51 MiB
Date: Wed Aug  9 02:13:47 2023
