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

User:   aes38@compute-22
Date:   Wed Aug  9 01:21:22 2023
Arch:   x86_64
Pid:    212327
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 9 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 9

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.325939   2.455781   2.475575   2.576296   2.643766   2.751823   2.769197   2.817220   2.867140 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
   0.04015   0.274534   0.437772   0.252546   0.333367   0.337019   0.287297   0.320823    0.30658 
Dimensionality of Krylov space: 18

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.331960   1.404123   1.513781   1.554079   1.587075   1.657808   1.803816   1.916306   2.538043 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.009961   0.214102   0.232074   0.262714   0.259608   0.248017   0.352254   0.335998   0.195361 
Dimensionality of Krylov space: 27

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332570   0.726164   1.002980   1.033769   1.082824   1.160875   1.192340   1.268978   1.739077 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.005867   0.339518   0.250693   0.297183   0.179184    0.22723   0.242349   0.197487   0.286956 
Dimensionality of Krylov space: 36

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332728   0.303282   0.600486   0.672236   0.698346   0.768786   0.949394   1.131318   1.418017 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.003136   0.182197   0.406925   0.289113   0.305541   0.154682   0.144366   0.158142   0.273706 
Dimensionality of Krylov space: 45

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332763   0.121239   0.308811   0.365972   0.398396   0.460031   0.579131   0.969465   1.151449 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
  0.001575   0.102986   0.242648   0.209703   0.274647   0.188663   0.380057   0.167013   0.201676 
Dimensionality of Krylov space: 54

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332772   0.051766   0.141799   0.153383   0.185806   0.204819   0.403999   0.822409   0.878654 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000678c   0.057794   0.120309   0.098258   0.113376   0.124492   0.177086   0.251133   0.228338 
Dimensionality of Krylov space: 62

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332772   0.018218   0.053679   0.075879   0.105771   0.110613   0.174983   0.214061   0.578913 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000673c   0.046512   0.056266   0.072738   0.072299   0.104884   0.139912   0.150783   0.123045 
Dimensionality of Krylov space: 70

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773   0.000091   0.014956   0.025399   0.037735   0.050533   0.089515   0.126099   0.409332 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000563c   0.033422   0.044113   0.044196   0.056289   0.069431   0.072889   0.096451   0.156043 
Dimensionality of Krylov space: 78

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.012261  -0.003592   0.005664   0.011400   0.020353   0.049650   0.087241   0.115900 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000523c   0.028867   0.032609   0.027389    0.03791   0.034393   0.032435    0.01513   0.080839 
Dimensionality of Krylov space: 86

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.039187  -0.015280  -0.003204   0.002897   0.005172   0.009883   0.044996   0.083007 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000484c   0.030181   0.075614   0.023876   0.018942   0.027891   0.032228   0.036649   0.027591 
Dimensionality of Krylov space: 94

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.043574  -0.041782  -0.014088   0.000613   0.001204   0.001591   0.009897   0.025109 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000422c   0.030739   0.033439   0.052949   0.006369   0.009054   0.009951   0.044047   0.048505 
Dimensionality of Krylov space: 102

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.052420  -0.045864  -0.043068   0.000202   0.000259   0.000394   0.000701   0.004269 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000357c   0.030848   0.016427   0.006829   0.004178   0.004647   0.005496   0.007522   0.021555 
Dimensionality of Krylov space: 110

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.059903  -0.047432  -0.043387   0.000041   0.000045   0.000088   0.000188   0.000859 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000335c   0.010736   0.007371   0.004236   0.001918   0.002634   0.002346   0.005423   0.013736 
Dimensionality of Krylov space: 118

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.061181  -0.047762  -0.043495  -0.000011  -0.000002   0.000027   0.000082   0.000191 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000324c   0.006578   0.003998   0.002829   0.001216  0.000934c   0.001597   0.002123   0.005124 
Dimensionality of Krylov space: 125

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.061449  -0.047888  -0.043542  -0.000027  -0.000009  -0.000001   0.000053   0.000063 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000322c   0.002828   0.002981   0.001647   0.001023   0.001214   0.001093   0.001647   0.001465 
Dimensionality of Krylov space: 133

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.061517  -0.047931  -0.043562  -0.000035  -0.000023  -0.000008   0.000034   0.000056 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000322c   0.002053   0.001122  0.000824c  0.000847c  0.000802c  0.000493c  0.000606c  0.000372c 
Dimensionality of Krylov space: 135

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.061538  -0.047944  -0.043562  -0.000036  -0.000023  -0.000008   0.000034   0.000056 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000322c   0.001184   0.00055c  0.000885c   0.00083c  0.000793c  0.000519c  0.000562c   0.00038c 
Dimensionality of Krylov space: 136

Eigenvalues:

         1          2          3          4          5          6          7          8          9 
 -0.332773  -0.061546  -0.047944  -0.043562  -0.000036  -0.000023  -0.000008   0.000034   0.000056 

Residual maximum components:

         1          2          3          4          5          6          7          8          9 
 0.000321c  0.000534c  0.000541c   0.00085c  0.000807c  0.000794c  0.000484c  0.000561c  0.000297c 
Memory usage: 780.65 MiB
Date: Wed Aug  9 02:13:00 2023
