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

User:   aes38@compute-21
Date:   Wed Aug  9 01:21:25 2023
Arch:   x86_64
Pid:    206863
CWD:    /users/home/aes38/Rydberg/new/ethylene/reallcao/eighthext
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 14 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 14

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.479718   2.292681   2.386981   2.446673   2.516819   2.517913   2.573812   2.634315   2.697634   2.749871   2.764619   2.814436   2.932453   2.976827 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.060737   0.243435   0.221183   0.296478   0.259654   0.221011   0.285735   0.327001   0.327703    0.27125   0.365052   0.281224   0.289642   0.422226 
Dimensionality of Krylov space: 28

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.484189   1.237502   1.352884   1.433032   1.450719   1.475386   1.506684   1.605854   1.620881   1.671017   1.712948   1.797453   1.832370   1.895477 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.022435    0.25115   0.265061    0.23282   0.275357   0.205937   0.218844   0.274895   0.252699    0.26829   0.229868   0.169752   0.311275   0.210445 
Dimensionality of Krylov space: 42

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485063   0.685963   0.807507   0.855422   1.001328   1.035462   1.058623   1.121183   1.254209   1.270611   1.333361   1.382653   1.476768   1.501822 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.005284   0.253784   0.232299   0.268906   0.190218   0.247202   0.165354    0.18224   0.171648   0.232092   0.200789   0.192382   0.192236   0.163128 
Dimensionality of Krylov space: 56

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485183   0.276704   0.380253   0.523239   0.569589   0.623583   0.722125   0.786689   0.954125   1.043420   1.073306   1.153045   1.156973   1.247852 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.003485   0.246653   0.354929   0.123257   0.213048   0.276033   0.200052   0.140408    0.16024   0.213134   0.139547   0.210044   0.172924   0.277666 
Dimensionality of Krylov space: 70

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485215   0.032820   0.149748   0.194818   0.212201   0.266305   0.375586   0.409963   0.587490   0.630855   0.724599   0.813663   0.899729   0.976833 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.002436   0.119605   0.096801   0.235517   0.190694   0.150338   0.142214   0.202185   0.280652   0.285615   0.186989   0.201512   0.143597   0.171766 
Dimensionality of Krylov space: 84

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485224  -0.020593   0.027090   0.046883   0.067526   0.073084   0.111507   0.194427   0.229928   0.278804   0.327366   0.402655   0.527319   0.627500 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  0.001629   0.097498   0.099716   0.078915    0.07649    0.10702   0.112425   0.126894   0.182236   0.151219   0.375803    0.17392   0.114045   0.178077 
Dimensionality of Krylov space: 98

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485230  -0.113622  -0.046361  -0.009197   0.005268   0.024897   0.026634   0.037259   0.076590   0.092999   0.117857   0.167289   0.212020   0.260202 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000674c   0.074979   0.067634   0.079128   0.071741   0.095478    0.04667   0.085115   0.071878   0.078711   0.102004   0.071668   0.088893   0.184987 
Dimensionality of Krylov space: 111

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485232  -0.177971  -0.085965  -0.082347  -0.048414  -0.010804   0.000289   0.006474   0.020548   0.029617   0.034598   0.039908   0.058902   0.069149 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000187c    0.05688   0.050427    0.05413   0.070114   0.036854   0.038115   0.040931   0.024772   0.030718   0.047558   0.077623   0.087907   0.070836 
Dimensionality of Krylov space: 124

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.210728  -0.147429  -0.113951  -0.084922  -0.038711  -0.023777  -0.006373   0.000414   0.007688   0.010173   0.014872   0.016497   0.027715 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000155c   0.049245   0.046442   0.050518   0.013372   0.062573   0.039012   0.014942    0.01528   0.026743   0.041331   0.051741   0.034439   0.015341 
Dimensionality of Krylov space: 137

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.219628  -0.184268  -0.151632  -0.085820  -0.081577  -0.068423  -0.010686  -0.006837  -0.000554   0.002098   0.003767   0.005984   0.012027 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000131c    0.01651    0.02392    0.02888   0.008427   0.048018   0.055548   0.025155   0.007476   0.015649   0.012943   0.024007   0.024442   0.037608 
Dimensionality of Krylov space: 150

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.221715  -0.188034  -0.161557  -0.103589  -0.090223  -0.085801  -0.016793  -0.008005  -0.006977   0.000441   0.000668   0.001396   0.001628 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 0.000101c   0.006106   0.009043   0.014697   0.012455   0.008843   0.003952   0.011701   0.007703   0.003214   0.005387   0.008891   0.006294   0.010473 
Dimensionality of Krylov space: 163

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222140  -0.188724  -0.163562  -0.105256  -0.091116  -0.085892  -0.018289  -0.008421  -0.007006   0.000046   0.000135   0.000338   0.000476 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  7.7e-05c   0.003036   0.006092    0.01138   0.007375   0.005365   0.001918    0.00634   0.004531   0.001445   0.002982   0.002573   0.005836    0.00497 
Dimensionality of Krylov space: 176

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222256  -0.188898  -0.164331  -0.105604  -0.091327  -0.085925  -0.018733  -0.008568  -0.007015  -0.000093   0.000002   0.000052   0.000303 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  6.2e-05c   0.001637   0.003391   0.006675   0.004792   0.003095   0.001012   0.004219   0.002305  0.000763c   0.001692   0.001947   0.001656   0.002229 
Dimensionality of Krylov space: 188

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222287  -0.188952  -0.164568  -0.105709  -0.091402  -0.085937  -0.018872  -0.008612  -0.007015  -0.000121  -0.000056   0.000022   0.000254 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  5.7e-05c  0.000716c   0.001487   0.003588   0.002481   0.001826   0.00053c   0.002057   0.001295  0.000743c   0.001145   0.001131  0.000705c   0.001118 
Dimensionality of Krylov space: 197

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222290  -0.188968  -0.164659  -0.105745  -0.091426  -0.085939  -0.018920  -0.008629  -0.007016  -0.000133  -0.000068   0.000020   0.000225 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  4.9e-05c  0.000695c   0.00075c   0.001722  0.000812c   0.001094  0.000446c   0.00098c  0.000681c  0.000735c  0.000588c  0.000607c  0.000654c   0.001627 
Dimensionality of Krylov space: 200

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222290  -0.188968  -0.164686  -0.105746  -0.091434  -0.085939  -0.018923  -0.008630  -0.007016  -0.000137  -0.000071   0.000018   0.000160 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  4.1e-05c  0.000676c  0.000745c  0.000947c  0.000806c  0.000564c  0.000423c   0.001097   0.00068c  0.000735c   0.001102  0.000751c  0.000844c   0.003001 
Dimensionality of Krylov space: 203

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222291  -0.188968  -0.164687  -0.105746  -0.091434  -0.085939  -0.018938  -0.008630  -0.007016  -0.000143  -0.000073   0.000011   0.000092 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  4.2e-05c  0.000712c  0.000729c  0.000865c  0.000769c  0.000566c  0.000407c  0.000768c   0.00068c  0.000723c  0.000632c   0.00049c  0.000904c   0.001347 
Dimensionality of Krylov space: 204

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
 -0.485233  -0.222291  -0.188968  -0.164687  -0.105746  -0.091434  -0.085939  -0.018939  -0.008630  -0.007016  -0.000144  -0.000073   0.000004   0.000068 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14 
  4.2e-05c  0.000748c   0.00073c  0.000934c  0.000773c   0.00057c  0.000406c  0.000638c   0.00068c  0.000723c   0.00048c  0.000474c  0.000844c  0.000761c 
Memory usage: 778.63 MiB
Date: Wed Aug  9 02:26:47 2023
