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

User:   aes38@compute-19
Date:   Wed Aug  9 01:18:19 2023
Arch:   x86_64
Pid:    216797
CWD:    /users/home/aes38/Rydberg/new/water/reallcao/fifthext
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 
 -0.756537   3.065210   3.075649   3.208198   3.370353   3.532451   3.800123 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.074789   0.571564   0.380343   0.549277    0.61892   0.512651   0.734951 
Dimensionality of Krylov space: 14

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.772556   1.594449   1.672535   1.759543   1.976430   2.111819   2.803162 

Residual maximum components:

         1          2          3          4          5          6          7 
   0.02807   0.415257    0.35521   0.437552   0.309481   0.368775   0.390673 
Dimensionality of Krylov space: 21

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.774921   0.786497   1.070051   1.253957   1.427836   1.589693   1.615564 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.015469   0.460549   0.310905   0.257627   0.376742   0.228046   0.219172 
Dimensionality of Krylov space: 28

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775363   0.374191   0.496081   0.729242   1.014728   1.056648   1.389980 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.007088   0.190578    0.19211   0.423579   0.253969   0.228981   0.181581 
Dimensionality of Krylov space: 35

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775456   0.206846   0.255816   0.405557   0.661893   0.708423   1.120300 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.003048   0.165789   0.140407   0.191506   0.216844   0.613043   0.171291 
Dimensionality of Krylov space: 42

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775477   0.076131   0.116563   0.221693   0.343561   0.452361   0.819293 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.001746    0.12072   0.098227   0.131276   0.235449   0.114351   0.356657 
Dimensionality of Krylov space: 49

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775482  -0.001949   0.043922   0.105637   0.206643   0.298835   0.358094 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000917c   0.089955   0.063712   0.119021   0.141239   0.148161   0.158943 
Dimensionality of Krylov space: 55

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775483  -0.058203   0.015357   0.052406   0.098610   0.174283   0.234740 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000768c   0.075639   0.042304   0.072605   0.122366   0.096156   0.120618 
Dimensionality of Krylov space: 61

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.121853   0.005275   0.016079   0.030987   0.089184   0.105651 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.00066c   0.078719   0.026991   0.036292    0.06442    0.07138   0.098372 
Dimensionality of Krylov space: 67

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.155081   0.001522   0.004928   0.010929   0.033232   0.042351 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000593c   0.031987   0.011715   0.033581   0.036081   0.067193   0.082168 
Dimensionality of Krylov space: 73

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.161427   0.000367   0.001020   0.002753   0.009840   0.011969 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000546c   0.014364    0.00702   0.015674   0.022354   0.046017   0.041922 
Dimensionality of Krylov space: 79

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.162826   0.000086   0.000281   0.000683   0.002971   0.003189 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000538c   0.005948    0.00287   0.005553    0.01445   0.021819   0.030598 
Dimensionality of Krylov space: 85

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.163122   0.000019   0.000079   0.000219   0.000787   0.000817 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000531c   0.003992   0.001655   0.002765   0.007819   0.008446   0.010687 
Dimensionality of Krylov space: 91

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.163219   0.000004   0.000027   0.000061   0.000199   0.000234 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000502c   0.001969  0.000632c   0.001551   0.002871   0.004611   0.005531 
Dimensionality of Krylov space: 96

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.163254   0.000004   0.000008   0.000015   0.000046   0.000060 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000478c   0.001249  0.000905c  0.000925c   0.001087   0.002655   0.003899 
Dimensionality of Krylov space: 100

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.163269   0.000003   0.000004   0.000006   0.000011   0.000015 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000455c  0.000762c  0.000767c  0.000647c  0.000877c    0.00132   0.001405 
Dimensionality of Krylov space: 102

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.775484  -0.163270   0.000003   0.000003   0.000004   0.000004   0.000006 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000453c  0.000821c  0.000634c  0.000599c  0.000769c  0.000707c  0.000878c 
Memory usage: 707.18 MiB
Date: Wed Aug  9 01:57:13 2023
