
  ___ ___ ___ _ _ _  
 |   |   |_  | | | | 
 | | | | | . | | | | 
 |__ |  _|___|_____|  23.6.1b1
 |___|_|             

User:   aes38@compute-63
Date:   Mon Jul 17 12:55:07 2023
Arch:   x86_64
Pid:    2139395
CWD:    /users/home/aes38/Rydberg/new/water/pbe/fd/firstext
Python: 3.9.6
gpaw:   /users/home/aes38/fd-gmf/gpaw (f024f0dc2f)
_gpaw:  /users/home/aes38/fd-gmf/build/lib.linux-x86_64-3.9/
        _gpaw.cpython-39-x86_64-linux-gnu.so (fd7e331516)
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 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.990607 

Residual maximum components:

         1 
    0.1021 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.999787 

Residual maximum components:

         1 
   0.03304 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -1.001275 

Residual maximum components:

         1 
  0.007294 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -1.001299 

Residual maximum components:

         1 
 0.000689c 
Using target saddle point order of 1.
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.945784 

Residual maximum components:

         1 
  0.004463 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.945794 

Residual maximum components:

         1 
  0.002652 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.945804 

Residual maximum components:

         1 
   0.00127 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.945805 

Residual maximum components:

         1 
 0.000177c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.918303 

Residual maximum components:

         1 
   0.00681 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.918324 

Residual maximum components:

         1 
  0.005304 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.918351 

Residual maximum components:

         1 
 0.000839c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.913151 

Residual maximum components:

         1 
  0.001895 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.913153 

Residual maximum components:

         1 
  0.001397 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.913157 

Residual maximum components:

         1 
 0.000787c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.917474 

Residual maximum components:

         1 
  0.00055c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.917249 

Residual maximum components:

         1 
 0.000629c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.916519 

Residual maximum components:

         1 
 0.000648c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.916720 

Residual maximum components:

         1 
 0.000769c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.916866 

Residual maximum components:

         1 
 0.000844c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.916729 

Residual maximum components:

         1 
  0.001082 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.916729 

Residual maximum components:

         1 
  0.001082 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.916734 

Residual maximum components:

         1 
 0.000279c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.916760 

Residual maximum components:

         1 
 0.000459c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.916774 

Residual maximum components:

         1 
 0.000755c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.745038 

Residual maximum components:

         1 
  0.057611 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.748309 

Residual maximum components:

         1 
  0.019249 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.748960 

Residual maximum components:

         1 
  0.003906 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.748973 

Residual maximum components:

         1 
  0.001002 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.748974 

Residual maximum components:

         1 
    9e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.762777 

Residual maximum components:

         1 
  0.003388 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.762782 

Residual maximum components:

         1 
  0.002483 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.762789 

Residual maximum components:

         1 
 0.000805c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.757355 

Residual maximum components:

         1 
  0.001322 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.757356 

Residual maximum components:

         1 
 0.000886c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.756771 

Residual maximum components:

         1 
  0.00081c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.757296 

Residual maximum components:

         1 
 0.000883c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.757313 

Residual maximum components:

         1 
  0.001044 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.757313 

Residual maximum components:

         1 
  0.001044 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.757317 

Residual maximum components:

         1 
 0.000227c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.757295 

Residual maximum components:

         1 
 0.000479c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.757300 

Residual maximum components:

         1 
 0.000624c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.638829 

Residual maximum components:

         1 
  0.030583 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.640174 

Residual maximum components:

         1 
  0.010616 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.640431 

Residual maximum components:

         1 
  0.003739 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.640448 

Residual maximum components:

         1 
  0.001366 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.640450 

Residual maximum components:

         1 
  3.4e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.651946 

Residual maximum components:

         1 
  0.002861 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.651950 

Residual maximum components:

         1 
  0.002249 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.651956 

Residual maximum components:

         1 
 0.000476c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.647750 

Residual maximum components:

         1 
  0.001009 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.647750 

Residual maximum components:

         1 
 0.000667c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.647477 

Residual maximum components:

         1 
  0.00086c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.647805 

Residual maximum components:

         1 
 0.000909c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.647804 

Residual maximum components:

         1 
  0.001144 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.647804 

Residual maximum components:

         1 
  0.001144 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.647807 

Residual maximum components:

         1 
 0.000219c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.621502 

Residual maximum components:

         1 
  0.023519 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.622596 

Residual maximum components:

         1 
  0.009407 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.622788 

Residual maximum components:

         1 
  0.003837 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.622806 

Residual maximum components:

         1 
  0.001362 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.622808 

Residual maximum components:

         1 
    4e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.624600 

Residual maximum components:

         1 
 0.000418c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.624035 

Residual maximum components:

         1 
 0.000529c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.624039 

Residual maximum components:

         1 
 0.000644c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.603032 

Residual maximum components:

         1 
  0.023779 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.603843 

Residual maximum components:

         1 
  0.006955 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.603951 

Residual maximum components:

         1 
  0.003744 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.603970 

Residual maximum components:

         1 
  0.001225 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.603971 

Residual maximum components:

         1 
  4.5e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604933 

Residual maximum components:

         1 
 0.000293c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604913 

Residual maximum components:

         1 
 0.000459c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604635 

Residual maximum components:

         1 
 0.000571c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604755 

Residual maximum components:

         1 
 0.000727c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604749 

Residual maximum components:

         1 
  0.00087c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.599975 

Residual maximum components:

         1 
  0.025115 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.600713 

Residual maximum components:

         1 
  0.006719 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.600786 

Residual maximum components:

         1 
  0.003639 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.600803 

Residual maximum components:

         1 
  0.001175 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.600804 

Residual maximum components:

         1 
  5.2e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.600035 

Residual maximum components:

         1 
 0.000261c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.600485 

Residual maximum components:

         1 
 0.000488c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.600457 

Residual maximum components:

         1 
  0.00065c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.603940 

Residual maximum components:

         1 
  0.025502 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.604686 

Residual maximum components:

         1 
  0.006852 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.604759 

Residual maximum components:

         1 
  0.003676 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.604777 

Residual maximum components:

         1 
   0.00121 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.604778 

Residual maximum components:

         1 
  5.1e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604272 

Residual maximum components:

         1 
 0.000352c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604458 

Residual maximum components:

         1 
 0.000513c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.604491 

Residual maximum components:

         1 
 0.000494c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.605124 

Residual maximum components:

         1 
  0.025405 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.605887 

Residual maximum components:

         1 
  0.006996 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.605966 

Residual maximum components:

         1 
  0.003593 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.605984 

Residual maximum components:

         1 
   0.00123 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.605985 

Residual maximum components:

         1 
  5.1e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606024 

Residual maximum components:

         1 
 0.000267c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.605974 

Residual maximum components:

         1 
 0.000368c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.605991 

Residual maximum components:

         1 
  0.00059c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.605461 

Residual maximum components:

         1 
  0.025302 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.606221 

Residual maximum components:

         1 
  0.007016 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.606300 

Residual maximum components:

         1 
  0.003567 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.606318 

Residual maximum components:

         1 
  0.001219 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.606319 

Residual maximum components:

         1 
    5e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606373 

Residual maximum components:

         1 
 0.000266c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606298 

Residual maximum components:

         1 
  0.025312 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.607067 

Residual maximum components:

         1 
  0.007128 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.607150 

Residual maximum components:

         1 
  0.003537 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.607167 

Residual maximum components:

         1 
  0.001204 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.607168 

Residual maximum components:

         1 
  4.9e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.607119 

Residual maximum components:

         1 
 0.000287c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606896 

Residual maximum components:

         1 
  0.025453 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.607672 

Residual maximum components:

         1 
  0.007205 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.607757 

Residual maximum components:

         1 
  0.003501 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.607774 

Residual maximum components:

         1 
    0.0012 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.607775 

Residual maximum components:

         1 
  4.9e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.607722 

Residual maximum components:

         1 
 0.000295c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606582 

Residual maximum components:

         1 
  0.025501 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.607360 

Residual maximum components:

         1 
  0.007204 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.607444 

Residual maximum components:

         1 
  0.003462 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.607461 

Residual maximum components:

         1 
  0.001206 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.607462 

Residual maximum components:

         1 
  5.1e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.607508 

Residual maximum components:

         1 
 0.000291c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606324 

Residual maximum components:

         1 
  0.025358 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.607095 

Residual maximum components:

         1 
  0.007209 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.607178 

Residual maximum components:

         1 
  0.003554 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.607196 

Residual maximum components:

         1 
   0.00125 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.607197 

Residual maximum components:

         1 
  4.9e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606150 

Residual maximum components:

         1 
  0.025468 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.606920 

Residual maximum components:

         1 
  0.007168 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.607003 

Residual maximum components:

         1 
  0.003454 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.607019 

Residual maximum components:

         1 
  0.001216 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.607021 

Residual maximum components:

         1 
  4.9e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606096 

Residual maximum components:

         1 
  0.025418 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.606863 

Residual maximum components:

         1 
  0.007154 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.606945 

Residual maximum components:

         1 
  0.003546 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.606962 

Residual maximum components:

         1 
  0.001253 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.606964 

Residual maximum components:

         1 
  4.9e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.606369 

Residual maximum components:

         1 
  0.025405 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.607143 

Residual maximum components:

         1 
  0.007168 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.607227 

Residual maximum components:

         1 
  0.003465 
Dimensionality of Krylov space: 4

Eigenvalues:

         1 
 -0.607244 

Residual maximum components:

         1 
  0.001221 
Dimensionality of Krylov space: 5

Eigenvalues:

         1 
 -0.607245 

Residual maximum components:

         1 
  5.1e-05c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

Davidson will target the 1 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 1

Eigenvalues:

         1 
 -0.607204 

Residual maximum components:

         1 
 0.000292c 
Memory usage: 1.98 GiB
Date: Mon Jul 17 14:44:30 2023
