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

User:   aes38@compute-19
Date:   Wed Aug  9 01:18:30 2023
Arch:   x86_64
Pid:    216804
CWD:    /users/home/aes38/Rydberg/new/formaldehyde/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 11 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 11

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.730745   2.661820   2.722577   2.795772   2.880472   2.924499   2.986863   3.075219   3.188158   3.228981   3.382015 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
  0.066316   0.326324   0.350452   0.395978   0.361783   0.375951   0.355136   0.410022   0.379796   0.356297   0.455534 
Dimensionality of Krylov space: 22

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.742956   1.447000   1.495805   1.650362   1.668906   1.860708   1.957313   2.034185   2.088570   2.593513   2.627616 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
  0.022361   0.235293   0.359136   0.265025   0.403668   0.261707   0.354729   0.341028   0.321418   0.234795   0.347379 
Dimensionality of Krylov space: 33

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.744644   0.781222   0.880493   1.047268   1.105447   1.169211   1.297080   1.443950   1.635880   1.698798   1.758948 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
  0.009598   0.295896   0.206721    0.22739   0.295787   0.237887    0.24099   0.262691   0.262671   0.384878   0.229365 
Dimensionality of Krylov space: 44

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745041   0.372768   0.430351   0.579951   0.640766   0.837990   1.007442   1.028688   1.086201   1.133855   1.162317 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
   0.00598   0.283719   0.388489   0.317966   0.244519   0.192098   0.213126   0.185551   0.369808   0.203112    0.19711 
Dimensionality of Krylov space: 55

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745136   0.090109   0.136971   0.252452   0.307436   0.497658   0.607095   0.626176   0.667238   0.854282   1.003918 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
  0.004079    0.18917    0.13393   0.159001   0.132989   0.217476   0.229355   0.337092   0.283172   0.252209   0.082173 
Dimensionality of Krylov space: 66

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745168  -0.026777   0.050714   0.083029   0.144651   0.185179   0.241941   0.284200   0.354110   0.505483   0.650346 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
   0.00254   0.200313   0.066139   0.103716   0.179948   0.082272   0.181279   0.143823   0.170567   0.222121   0.212548 
Dimensionality of Krylov space: 77

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745182  -0.136550   0.001807   0.013141   0.069761   0.093024   0.118914   0.129522   0.159374   0.212136   0.322473 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000635c   0.214797   0.071625    0.05094   0.068339   0.106351   0.078294   0.094159   0.105751   0.121975    0.14494 
Dimensionality of Krylov space: 87

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745183  -0.282285  -0.046488  -0.009682   0.016786   0.020718   0.033165   0.048772   0.079118   0.118598   0.244462 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000378c   0.168656   0.068948   0.047191   0.047549   0.067604   0.070836    0.06392   0.077822   0.082124   0.100937 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745184  -0.404556  -0.095796  -0.042281  -0.005872   0.002312   0.006359   0.019981   0.043877   0.064727   0.106295 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000386c   0.085242    0.09523   0.061148   0.034975   0.032575   0.028144   0.034108   0.072209   0.089533   0.118048 
Dimensionality of Krylov space: 107

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.473125  -0.145663  -0.095211  -0.021987  -0.007686   0.001310   0.006946   0.020738   0.027156   0.040739 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000332c   0.050636   0.040044   0.062226   0.054719   0.025337   0.013176   0.021871    0.04764   0.017428   0.039752 
Dimensionality of Krylov space: 117

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.492956  -0.156019  -0.135749  -0.091011  -0.054697   0.000313   0.001782   0.002749   0.005153   0.011619 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000279c   0.020026   0.020861   0.028818   0.070109   0.026202   0.006603   0.017804   0.025505   0.020634   0.036218 
Dimensionality of Krylov space: 127

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.496057  -0.157513  -0.153749  -0.124136  -0.060745   0.000071   0.000382   0.000555   0.001483   0.001933 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000263c   0.010069   0.006185   0.028785   0.022486    0.01467   0.002937   0.008294   0.007511   0.010522    0.01669 
Dimensionality of Krylov space: 137

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.496652  -0.160139  -0.157842  -0.127317  -0.062187   0.000018   0.000046   0.000128   0.000458   0.000475 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000299c   0.004604   0.011621   0.004339   0.009383   0.005795    0.00166   0.003511   0.003396   0.005393   0.006464 
Dimensionality of Krylov space: 147

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.496793  -0.161467  -0.157996  -0.128015  -0.062688  -0.000025   0.000003   0.000025   0.000099   0.000147 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000237c   0.002088    0.00641   0.002042   0.005302   0.004155   0.001204  0.000793c   0.001621   0.002588   0.002799 
Dimensionality of Krylov space: 156

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.496822  -0.161798  -0.158042  -0.128213  -0.062847  -0.000042   0.000001   0.000004   0.000021   0.000065 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000193c    0.00116   0.002981   0.001245   0.002698   0.002795  0.000839c  0.000901c  0.000865c   0.001066   0.001375 
Dimensionality of Krylov space: 163

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.496829  -0.161873  -0.158057  -0.128269  -0.062911  -0.000048  -0.000002   0.000001   0.000003   0.000041 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000182c  0.000591c   0.001447   0.001027   0.001431   0.002121  0.000668c  0.000638c  0.000758c  0.000479c  0.000775c 
Dimensionality of Krylov space: 167

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11 
 -0.745185  -0.496829  -0.161891  -0.158062  -0.128285  -0.062934  -0.000049  -0.000003  -0.000001   0.000003   0.000040 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11 
 0.000178c  0.000556c  0.000932c  0.000401c  0.000829c  0.000938c  0.000549c  0.000592c    0.0006c  0.000519c  0.000659c 
Memory usage: 769.30 MiB
Date: Wed Aug  9 02:06:50 2023
