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

User:   aes38@compute-86
Date:   Wed Aug  9 02:31:06 2023
Arch:   x86_64
Pid:    250594
CWD:    /users/home/aes38/Rydberg/new/ethylene/complex/lcao/sixthext
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 13 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 13

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.327614  -0.325931   2.460081   2.506558   2.529472   2.555286   2.633603   2.662659   2.699426   2.725264   2.737506   2.797305   2.887499 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000268c   0.040355   0.221674   0.230624    0.18441   0.196487   0.240683   0.194709   0.189533   0.207433   0.246749   0.224576   0.269203 
Dimensionality of Krylov space: 25

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.331954  -0.327614   1.345554   1.396800   1.417378   1.480942   1.504501   1.541361   1.566418   1.592381   1.656243   1.999751   2.384919 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
  0.010108  0.000265c   0.184494   0.207191    0.18253   0.159677   0.353515    0.22558   0.200546   0.220314   0.242743   0.375657   0.139084 
Dimensionality of Krylov space: 37

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332564  -0.327614   0.906340   0.965468   0.979698   1.020374   1.031570   1.076864   1.104343   1.332084   1.396834   1.431210   1.492120 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
  0.005921  0.000265c   0.339959    0.14283   0.130646   0.132807   0.168082   0.147306   0.164869   0.145653   0.115135   0.168366   0.259022 
Dimensionality of Krylov space: 49

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332728  -0.327614   0.486619   0.523374   0.566535   0.670814   0.729968   0.746461   0.778230   0.940786   1.061983   1.140513   1.247895 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
  0.003041  0.000264c   0.125364   0.244114   0.303038   0.177758   0.151111    0.17926   0.169358   0.224504    0.17368   0.115277    0.14988 
Dimensionality of Krylov space: 61

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332762  -0.327614   0.237215   0.259433   0.272210   0.303316   0.314115   0.414796   0.572436   0.687979   0.828387   0.924302   0.997377 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
  0.001776  0.000267c   0.176056   0.159813   0.189202   0.226002   0.176668    0.22962   0.138987   0.111007   0.148012   0.140595   0.140136 
Dimensionality of Krylov space: 73

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332772  -0.327614   0.079372   0.100222   0.105418   0.137375   0.163093   0.222079   0.377517   0.398490   0.456874   0.499418   0.732281 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000611c  0.000273c   0.093094   0.086677   0.097438   0.089728   0.108098    0.07249   0.102612   0.122226    0.19918   0.169916   0.160547 
Dimensionality of Krylov space: 84

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332772  -0.327614   0.031931   0.032993   0.036912   0.061115   0.074752   0.083943   0.229297   0.263235   0.288714   0.316534   0.632245 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000531c  0.000268c   0.050389   0.051859   0.054249   0.050443   0.118924   0.070082   0.103136   0.152398    0.06939   0.172504   0.111497 
Dimensionality of Krylov space: 95

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614   0.006266   0.008006   0.013144   0.024682   0.026863   0.041783   0.098347   0.102458   0.139200   0.203613   0.281370 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000536c  0.000272c   0.023892    0.02583   0.028456   0.028565   0.042884   0.044865   0.115741    0.09194   0.106787    0.14957   0.017961 
Dimensionality of Krylov space: 106

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.004582  -0.002406   0.002307   0.006820   0.008869   0.016898   0.027526   0.042768   0.065031   0.098364   0.223137 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000434c  0.000278c    0.02239   0.015896    0.03086   0.026558   0.026166    0.05393   0.039324    0.05551    0.05648    0.06542   0.121593 
Dimensionality of Krylov space: 117

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.019842  -0.016880  -0.002437  -0.000328   0.001106   0.001971   0.010236   0.017388   0.029676   0.053233   0.055724 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000408c  0.000285c   0.045444   0.048099   0.013946    0.02108   0.013475   0.012677   0.025405   0.034504   0.052164   0.108369   0.067938 
Dimensionality of Krylov space: 128

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.049305  -0.041687  -0.022629  -0.014104  -0.002993   0.000503   0.001453   0.001510   0.004218   0.004712   0.010892 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000436c  0.000286c   0.024761   0.015667   0.041871   0.052237   0.014582   0.006741   0.016533    0.01203   0.020985   0.017718   0.044746 
Dimensionality of Krylov space: 139

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.068585  -0.046439  -0.042802  -0.038383  -0.010267  -0.001934   0.000156   0.000468   0.000548   0.001024   0.002546 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000443c  0.000276c   0.026397   0.010138   0.006944   0.024549   0.019502   0.006103    0.00232   0.004516   0.006284   0.009626   0.012936 
Dimensionality of Krylov space: 150

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.076820  -0.052804  -0.047257  -0.043207  -0.016390  -0.009231   0.000045   0.000116   0.000142   0.000236   0.000560 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000432c   0.00027c   0.011188   0.019274   0.007526   0.003988   0.011686   0.029975   0.001908   0.002736   0.002725   0.006247   0.006527 
Dimensionality of Krylov space: 161

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.078914  -0.059372  -0.047666  -0.043336  -0.019808  -0.016922   0.000008   0.000021   0.000053   0.000067   0.000137 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000407c  0.000263c   0.004173   0.012075   0.003985   0.002607   0.013666   0.010707   0.001552   0.001298    0.00209   0.001606    0.00333 
Dimensionality of Krylov space: 172

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.079339  -0.060900  -0.047847  -0.043397  -0.021530  -0.017338  -0.000028   0.000006   0.000017   0.000028   0.000064 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000412c  0.000248c   0.002388   0.006377   0.003396   0.001672   0.006558   0.003879   0.001653  0.000621c  0.000984c  0.000924c   0.001203 
Dimensionality of Krylov space: 180

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.079437  -0.061363  -0.047912  -0.043423  -0.021906  -0.017414  -0.000043   0.000005   0.000012   0.000022   0.000050 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000414c  0.000245c   0.001856   0.004282   0.001688   0.001121   0.002514   0.001642  0.000606c  0.000538c  0.000829c  0.000749c  0.000721c 
Dimensionality of Krylov space: 186

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.079486  -0.061524  -0.047929  -0.043435  -0.021992  -0.017432  -0.000044   0.000004   0.000011   0.000020   0.000046 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000405c  0.000237c   0.001101   0.002806  0.000723c  0.000803c  0.000914c  0.000645c  0.000588c  0.000649c  0.000788c  0.000707c  0.000572c 
Dimensionality of Krylov space: 188

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.079503  -0.061582  -0.047929  -0.043435  -0.022000  -0.017432  -0.000045   0.000004   0.000011   0.000020   0.000045 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000406c  0.000239c  0.000684c   0.001876  0.000681c  0.000784c   0.001026  0.000755c  0.000622c  0.000647c  0.000938c  0.000645c  0.000801c 
Dimensionality of Krylov space: 190

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 -0.332773  -0.327614  -0.079503  -0.061604  -0.047929  -0.043435  -0.022013  -0.017433  -0.000045   0.000004   0.000011   0.000019   0.000043 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13 
 0.000401c  0.000243c   0.00079c  0.000961c  0.000685c  0.000779c  0.000504c  0.000619c   0.00062c   0.00061c  0.000894c  0.000638c  0.000685c 
Memory usage: 793.63 MiB
Date: Wed Aug  9 03:41:13 2023
