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

User:   aes38@compute-32
Date:   Thu Jul 13 17:56:06 2023
Arch:   x86_64
Pid:    3657629
CWD:    /users/home/aes38/Rydberg/new/ammonia/pbe/fd/tests
Python: 3.9.6
gpaw:   /users/home/aes38/fd-gmf/gpaw (c12862fe6a)
_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 
 -0.428192 

Residual maximum components:

         1 
  0.058261 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.435016 

Residual maximum components:

         1 
  0.015988 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.435592 

Residual maximum components:

         1 
 0.004395c 
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 
 -0.401917 

Residual maximum components:

         1 
  0.024503 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.402560 

Residual maximum components:

         1 
 0.006393c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.401358 

Residual maximum components:

         1 
 0.008213c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.400838 

Residual maximum components:

         1 
 0.009516c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.400822 

Residual maximum components:

         1 
 0.009447c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.400824 

Residual maximum components:

         1 
 0.009247c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.400825 

Residual maximum components:

         1 
 0.009202c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.347629 

Residual maximum components:

         1 
  0.065557 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.355324 

Residual maximum components:

         1 
  0.019218 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.355912 

Residual maximum components:

         1 
 0.004186c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.354366 

Residual maximum components:

         1 
 0.004133c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.354461 

Residual maximum components:

         1 
 0.004443c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.354585 

Residual maximum components:

         1 
 0.004375c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.354606 

Residual maximum components:

         1 
 0.004568c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.354589 

Residual maximum components:

         1 
 0.004477c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.283988 

Residual maximum components:

         1 
   0.05549 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.289735 

Residual maximum components:

         1 
  0.016614 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.290194 

Residual maximum components:

         1 
 0.005674c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.285522 

Residual maximum components:

         1 
 0.005516c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.285392 

Residual maximum components:

         1 
 0.005329c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.285665 

Residual maximum components:

         1 
 0.005404c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.285757 

Residual maximum components:

         1 
 0.005569c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.285741 

Residual maximum components:

         1 
 0.005628c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.285729 

Residual maximum components:

         1 
 0.005578c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.260323 

Residual maximum components:

         1 
  0.042292 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.263653 

Residual maximum components:

         1 
  0.013426 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.263921 

Residual maximum components:

         1 
 0.004775c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.260109 

Residual maximum components:

         1 
 0.004283c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.259934 

Residual maximum components:

         1 
 0.004598c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.260105 

Residual maximum components:

         1 
 0.004335c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.260147 

Residual maximum components:

         1 
 0.004446c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.260142 

Residual maximum components:

         1 
 0.004693c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.260135 

Residual maximum components:

         1 
  0.00443c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253385 

Residual maximum components:

         1 
  0.037939 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.256073 

Residual maximum components:

         1 
  0.012792 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256294 

Residual maximum components:

         1 
 0.004205c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256068 

Residual maximum components:

         1 
  0.00409c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256024 

Residual maximum components:

         1 
 0.004012c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256042 

Residual maximum components:

         1 
 0.004425c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256045 

Residual maximum components:

         1 
 0.004466c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.249811 

Residual maximum components:

         1 
  0.033191 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.251995 

Residual maximum components:

         1 
  0.011795 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.252170 

Residual maximum components:

         1 
 0.004065c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251985 

Residual maximum components:

         1 
 0.004144c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251969 

Residual maximum components:

         1 
 0.004107c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251968 

Residual maximum components:

         1 
 0.004133c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251955 

Residual maximum components:

         1 
 0.004268c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251951 

Residual maximum components:

         1 
 0.004401c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.249752 

Residual maximum components:

         1 
  0.033687 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.252070 

Residual maximum components:

         1 
  0.011773 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.252258 

Residual maximum components:

         1 
 0.005612c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251943 

Residual maximum components:

         1 
 0.005985c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251932 

Residual maximum components:

         1 
 0.005814c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251962 

Residual maximum components:

         1 
 0.005892c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.251974 

Residual maximum components:

         1 
 0.005712c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252424 

Residual maximum components:

         1 
  0.032271 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254653 

Residual maximum components:

         1 
  0.011425 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.254836 

Residual maximum components:

         1 
  0.00492c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253767 

Residual maximum components:

         1 
 0.004591c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253747 

Residual maximum components:

         1 
 0.004211c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253823 

Residual maximum components:

         1 
  0.00377c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253837 

Residual maximum components:

         1 
 0.003644c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252684 

Residual maximum components:

         1 
  0.032178 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254909 

Residual maximum components:

         1 
  0.011382 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255086 

Residual maximum components:

         1 
  0.00506c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.254635 

Residual maximum components:

         1 
 0.004804c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.254622 

Residual maximum components:

         1 
 0.004837c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.254646 

Residual maximum components:

         1 
 0.004465c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253504 

Residual maximum components:

         1 
  0.032102 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255694 

Residual maximum components:

         1 
  0.011301 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255861 

Residual maximum components:

         1 
  0.00445c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255362 

Residual maximum components:

         1 
 0.004806c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255336 

Residual maximum components:

         1 
 0.005186c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255364 

Residual maximum components:

         1 
 0.005201c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253273 

Residual maximum components:

         1 
  0.032106 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255428 

Residual maximum components:

         1 
  0.011234 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255595 

Residual maximum components:

         1 
  0.00393c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255445 

Residual maximum components:

         1 
 0.003622c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255432 

Residual maximum components:

         1 
 0.003951c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252954 

Residual maximum components:

         1 
  0.031907 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255084 

Residual maximum components:

         1 
  0.011243 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255246 

Residual maximum components:

         1 
 0.004699c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255254 

Residual maximum components:

         1 
  0.00506c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252660 

Residual maximum components:

         1 
  0.032159 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254793 

Residual maximum components:

         1 
  0.011154 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.254954 

Residual maximum components:

         1 
 0.004423c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255037 

Residual maximum components:

         1 
 0.004215c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255039 

Residual maximum components:

         1 
 0.004051c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252515 

Residual maximum components:

         1 
  0.031996 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254644 

Residual maximum components:

         1 
  0.011162 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.254810 

Residual maximum components:

         1 
 0.004348c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.254882 

Residual maximum components:

         1 
 0.004579c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.254888 

Residual maximum components:

         1 
 0.004915c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252548 

Residual maximum components:

         1 
  0.032016 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254690 

Residual maximum components:

         1 
  0.011136 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.254844 

Residual maximum components:

         1 
 0.004908c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.254861 

Residual maximum components:

         1 
 0.005205c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252763 

Residual maximum components:

         1 
  0.031797 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254885 

Residual maximum components:

         1 
  0.011069 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255040 

Residual maximum components:

         1 
 0.003784c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255001 

Residual maximum components:

         1 
 0.003711c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253039 

Residual maximum components:

         1 
  0.031648 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255145 

Residual maximum components:

         1 
   0.01103 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255301 

Residual maximum components:

         1 
 0.004233c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255231 

Residual maximum components:

         1 
 0.004188c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255228 

Residual maximum components:

         1 
 0.004156c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253328 

Residual maximum components:

         1 
  0.031443 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255418 

Residual maximum components:

         1 
  0.010977 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255564 

Residual maximum components:

         1 
 0.004219c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255479 

Residual maximum components:

         1 
 0.004237c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255477 

Residual maximum components:

         1 
 0.004011c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253563 

Residual maximum components:

         1 
  0.031315 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255640 

Residual maximum components:

         1 
  0.010935 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255794 

Residual maximum components:

         1 
 0.004481c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255721 

Residual maximum components:

         1 
 0.003983c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255719 

Residual maximum components:

         1 
 0.004389c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253702 

Residual maximum components:

         1 
  0.031296 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255776 

Residual maximum components:

         1 
  0.010929 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255929 

Residual maximum components:

         1 
 0.004468c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255884 

Residual maximum components:

         1 
 0.004319c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253750 

Residual maximum components:

         1 
  0.031489 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255833 

Residual maximum components:

         1 
  0.010924 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255982 

Residual maximum components:

         1 
 0.004255c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255964 

Residual maximum components:

         1 
 0.004113c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253772 

Residual maximum components:

         1 
  0.031289 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255850 

Residual maximum components:

         1 
  0.010949 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.255995 

Residual maximum components:

         1 
 0.004027c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255994 

Residual maximum components:

         1 
  0.00405c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253762 

Residual maximum components:

         1 
  0.031563 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255854 

Residual maximum components:

         1 
  0.010931 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256007 

Residual maximum components:

         1 
   0.0034c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253761 

Residual maximum components:

         1 
  0.031532 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255855 

Residual maximum components:

         1 
   0.01093 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256008 

Residual maximum components:

         1 
 0.004161c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253776 

Residual maximum components:

         1 
  0.031383 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255867 

Residual maximum components:

         1 
  0.010932 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256018 

Residual maximum components:

         1 
 0.004082c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253801 

Residual maximum components:

         1 
   0.03141 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255886 

Residual maximum components:

         1 
  0.010938 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256041 

Residual maximum components:

         1 
 0.004059c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253821 

Residual maximum components:

         1 
  0.031392 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255910 

Residual maximum components:

         1 
   0.01092 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256061 

Residual maximum components:

         1 
 0.004009c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253851 

Residual maximum components:

         1 
   0.03133 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255934 

Residual maximum components:

         1 
  0.010923 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256090 

Residual maximum components:

         1 
 0.004791c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253872 

Residual maximum components:

         1 
  0.031434 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255966 

Residual maximum components:

         1 
  0.010937 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256123 

Residual maximum components:

         1 
 0.004876c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253881 

Residual maximum components:

         1 
  0.031429 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255986 

Residual maximum components:

         1 
  0.010956 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256138 

Residual maximum components:

         1 
 0.004461c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253883 

Residual maximum components:

         1 
   0.03159 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255989 

Residual maximum components:

         1 
  0.010934 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256146 

Residual maximum components:

         1 
 0.003622c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253881 

Residual maximum components:

         1 
  0.031541 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255988 

Residual maximum components:

         1 
  0.010931 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256132 

Residual maximum components:

         1 
 0.004245c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253900 

Residual maximum components:

         1 
  0.031398 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255992 

Residual maximum components:

         1 
  0.010897 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256146 

Residual maximum components:

         1 
 0.003397c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253887 

Residual maximum components:

         1 
  0.031464 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255991 

Residual maximum components:

         1 
  0.010919 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256145 

Residual maximum components:

         1 
 0.003929c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253885 

Residual maximum components:

         1 
   0.03147 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255990 

Residual maximum components:

         1 
  0.010941 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256147 

Residual maximum components:

         1 
 0.003379c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253877 

Residual maximum components:

         1 
   0.03162 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255987 

Residual maximum components:

         1 
  0.010934 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256134 

Residual maximum components:

         1 
 0.003933c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253882 

Residual maximum components:

         1 
  0.031511 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255984 

Residual maximum components:

         1 
  0.010909 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256137 

Residual maximum components:

         1 
  0.00424c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256148 

Residual maximum components:

         1 
 0.004079c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253892 

Residual maximum components:

         1 
  0.031629 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255998 

Residual maximum components:

         1 
  0.010934 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256151 

Residual maximum components:

         1 
 0.004195c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253910 

Residual maximum components:

         1 
  0.031414 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.256006 

Residual maximum components:

         1 
  0.010925 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256158 

Residual maximum components:

         1 
  0.00395c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256159 

Residual maximum components:

         1 
 0.003957c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.253891 

Residual maximum components:

         1 
  0.031453 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.255988 

Residual maximum components:

         1 
  0.010892 
Dimensionality of Krylov space: 3

Eigenvalues:

         1 
 -0.256139 

Residual maximum components:

         1 
  0.00386c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256150 

Residual maximum components:

         1 
 0.004189c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.252585 

Residual maximum components:

         1 
  0.020778 
Dimensionality of Krylov space: 2

Eigenvalues:

         1 
 -0.254464 

Residual maximum components:

         1 
 0.005401c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.255878 

Residual maximum components:

         1 
  0.00647c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256714 

Residual maximum components:

         1 
 0.007807c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256667 

Residual maximum components:

         1 
 0.007836c 
|-------------------------------------------------------|
|             Davidson partial diagonalizer             |
|-------------------------------------------------------|

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

Eigenvalues:

         1 
 -0.256612 

Residual maximum components:

         1 
 0.007912c 
Memory usage: 1.77 GiB
Date: Thu Jul 13 18:12:54 2023
