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

User:   aes38@compute-19
Date:   Wed Aug  9 01:18:20 2023
Arch:   x86_64
Pid:    216783
CWD:    /users/home/aes38/Rydberg/new/water/reallcao/secondext
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 
 -0.750400   2.927315   3.160656   3.251356   3.426025   3.877430   3.943930 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.053259   0.530939   0.557223   0.448908   0.638784   0.622362   0.658238 
Dimensionality of Krylov space: 14

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.751799   1.482920   1.558213   1.804508   1.971028   2.124832   2.253288 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.025516   0.499755   0.325395   0.477796   0.515974   0.530814   0.420513 
Dimensionality of Krylov space: 21

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752353   0.781241   0.925507   1.115751   1.176581   1.273493   1.481476 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.009841   0.292471   0.387658   0.361663   0.384481   0.265116   0.282502 
Dimensionality of Krylov space: 28

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752483   0.300876   0.451891   0.549931   0.698806   1.019177   1.075106 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.004538   0.154975   0.229903   0.232529   0.218136   0.231457   0.317047 
Dimensionality of Krylov space: 35

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752509   0.134631   0.196271   0.255456   0.356484   0.421446   0.678221 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.002135   0.083618   0.123242   0.204032   0.157001   0.161125   0.162852 
Dimensionality of Krylov space: 42

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752517   0.058161   0.078737   0.119502   0.176901   0.251833   0.393180 

Residual maximum components:

         1          2          3          4          5          6          7 
  0.001215   0.065145   0.099167   0.127592   0.120268   0.161426   0.156493 
Dimensionality of Krylov space: 49

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518   0.026305   0.031442   0.057029   0.093392   0.153997   0.214231 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000483c   0.047499   0.065029   0.076893   0.065359     0.0878   0.144223 
Dimensionality of Krylov space: 55

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518   0.004827   0.009919   0.021657   0.047345   0.083549   0.150270 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000371c   0.038011    0.03839   0.065661   0.065959   0.069123   0.059564 
Dimensionality of Krylov space: 61

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.003008   0.002175   0.006263   0.014387   0.037817   0.123152 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000367c   0.020484   0.019209   0.029315   0.041969   0.057926   0.084962 
Dimensionality of Krylov space: 67

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.007787   0.000576   0.001269   0.003509   0.012280   0.060505 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000354c   0.029999   0.009626   0.016736   0.018374   0.042719   0.088112 
Dimensionality of Krylov space: 73

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.019145   0.000128   0.000302   0.000866   0.003420   0.013267 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000344c   0.049172   0.004202   0.007605    0.01123    0.02055   0.035411 
Dimensionality of Krylov space: 79

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.038410   0.000007   0.000078   0.000276   0.000889   0.004002 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000281c   0.041602   0.002635   0.003407   0.005428   0.008105   0.017792 
Dimensionality of Krylov space: 85

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.044651  -0.000048   0.000025   0.000092   0.000288   0.001035 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000291c   0.014295   0.001422   0.002086   0.003176   0.004619   0.010314 
Dimensionality of Krylov space: 91

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.046154  -0.000063   0.000006   0.000027   0.000164   0.000302 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000291c    0.00635   0.001053   0.001218   0.001859   0.001658   0.006502 
Dimensionality of Krylov space: 97

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.046526  -0.000070  -0.000010   0.000012   0.000081   0.000135 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000285c   0.003408  0.000659c   0.00085c  0.000678c   0.003626   0.001161 
Dimensionality of Krylov space: 100

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.046628  -0.000071  -0.000011   0.000004   0.000025   0.000119 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000286c   0.002384  0.000544c  0.000817c  0.000878c   0.001272   0.001149 
Dimensionality of Krylov space: 103

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.046664  -0.000071  -0.000012  -0.000004   0.000018   0.000093 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000285c   0.001563  0.000499c  0.000905c  0.000735c  0.000384c   0.001897 
Dimensionality of Krylov space: 105

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.046677  -0.000072  -0.000014  -0.000004   0.000017   0.000055 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000285c   0.001064  0.000585c   0.00078c  0.000806c  0.000654c   0.001862 
Dimensionality of Krylov space: 107

Eigenvalues:

         1          2          3          4          5          6          7 
 -0.752518  -0.046683  -0.000073  -0.000017  -0.000004   0.000012   0.000032 

Residual maximum components:

         1          2          3          4          5          6          7 
 0.000285c  0.000549c  0.000617c  0.000879c    0.0008c   0.00069c  0.000798c 
Memory usage: 710.49 MiB
Date: Wed Aug  9 01:58:31 2023
