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

User:   aes38@compute-21
Date:   Wed Aug  9 01:21:20 2023
Arch:   x86_64
Pid:    206864
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/fourthext
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 7 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 7

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.283985   2.441737   2.585325   2.613686   2.658688   2.734630   2.840126 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.012191   0.286853   0.364541    0.27426   0.286476   0.288828    0.31749 
Dimensionality of Krylov space: 14

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284486   1.340492   1.383511   1.467223   1.550828   1.706058   2.067203 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.010917   0.349616   0.254371   0.206688   0.251648   0.334199   0.296058 
Dimensionality of Krylov space: 21

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284722   0.920106   0.961291   1.095176   1.126773   1.166371   1.443241 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.005681   0.199246   0.168915   0.267531   0.212838   0.173331   0.223676 
Dimensionality of Krylov space: 28

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284792   0.531010   0.606524   0.737417   0.782316   1.079178   1.087466 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.004322   0.314878   0.214025    0.26821   0.156562   0.139488   0.039637 
Dimensionality of Krylov space: 35

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284841   0.296567   0.328651   0.387478   0.483748   0.678186   0.687884 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.002308   0.201209   0.208459   0.158304   0.228394   0.138185   0.068731 
Dimensionality of Krylov space: 42

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284859   0.121271   0.190142   0.199576   0.241146   0.331884   0.430928 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.001313   0.187055   0.112453    0.09721    0.18511   0.092218   0.182546 
Dimensionality of Krylov space: 49

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284866   0.043939   0.092924   0.119055   0.145584   0.154396   0.238323 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000691c   0.069383   0.071917    0.09288   0.056075   0.122181   0.064078 
Dimensionality of Krylov space: 55

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284868   0.015535   0.045381   0.055932   0.087021   0.105639   0.135060 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000429c   0.037225   0.041809   0.060047   0.074067   0.025488   0.044193 
Dimensionality of Krylov space: 61

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869   0.004369   0.016635   0.023014   0.035340   0.102028   0.108994 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000207c   0.019301    0.04035   0.045133   0.049962   0.020994   0.022174 
Dimensionality of Krylov space: 67

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869   0.001126   0.004814   0.007872   0.014515   0.028954   0.100722 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000192c   0.012243   0.025129   0.021876   0.041399   0.037773    0.01855 
Dimensionality of Krylov space: 73

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869   0.000297   0.001313   0.004007   0.004921   0.008264   0.078208 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000192c   0.006501   0.010613   0.010861   0.022313   0.031133   0.080331 
Dimensionality of Krylov space: 79

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869   0.000098   0.000351   0.001526   0.002428   0.003422   0.066761 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000181c   0.003422   0.006323   0.012077   0.017378   0.008278   0.022847 
Dimensionality of Krylov space: 85

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869   0.000025   0.000113   0.000450   0.000783   0.003004   0.049587 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000172c   0.001691    0.00343   0.006222   0.009605    0.00583   0.059935 
Dimensionality of Krylov space: 91

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000003   0.000047   0.000146   0.000274   0.002828   0.019060 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000169c   0.001381   0.001542   0.002846     0.0037   0.003095   0.044208 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000017   0.000021   0.000060   0.000103   0.002760   0.004782 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000164c  0.000841c    0.00106   0.001572   0.001857   0.001891   0.021438 
Dimensionality of Krylov space: 102

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000025   0.000009   0.000039   0.000061   0.002105   0.002740 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000156c  0.000564c  0.000666c   0.001258   0.001139   0.007224   0.001465 
Dimensionality of Krylov space: 106

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000028   0.000007   0.000031   0.000053   0.001452   0.002724 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000152c   0.00084c  0.000449c  0.000677c   0.00057c   0.003964  0.000791c 
Dimensionality of Krylov space: 107

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000028   0.000007   0.000030   0.000052   0.001244   0.002722 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000152c  0.000819c  0.000423c  0.000776c  0.000443c   0.002709  0.000991c 
Dimensionality of Krylov space: 108

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000028   0.000007   0.000030   0.000052   0.001167   0.002722 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000152c  0.000788c   0.00043c  0.000687c  0.000567c   0.002041  0.000708c 
Dimensionality of Krylov space: 109

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000029   0.000007   0.000030   0.000052   0.001136   0.002722 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.00015c  0.000773c   0.00043c  0.000722c  0.000497c    0.00134  0.000796c 
Dimensionality of Krylov space: 110

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.284869  -0.000029   0.000007   0.000030   0.000051   0.001121   0.002722 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000149c   0.00078c  0.000427c  0.000705c  0.000555c  0.000877c  0.000808c 
Memory usage: 774.79 MiB
Date: Wed Aug  9 02:08:34 2023
