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

User:   aes38@compute-61
Date:   Wed Aug  9 02:28:15 2023
Arch:   x86_64
Pid:    287667
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 15 lowest eigenpairs as recovered from previous calculation.
Dimensionality of Krylov space: 15

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.641354   2.381423   2.428205   2.490082   2.533525   2.562674   2.591503   2.633086   2.643509   2.701933   2.725399   2.734479   2.774943   2.888796 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000298c   0.072998   0.260035   0.214848   0.185371   0.221574    0.21252     0.1826   0.211883   0.251136   0.216477   0.246109   0.197745   0.307188   0.278215 
Dimensionality of Krylov space: 29

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.657981   1.280327   1.314005   1.346812   1.358274   1.416652   1.457757   1.495065   1.525182   1.542757   1.578159   1.586122   1.630926   1.873558 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000301c   0.018035   0.185186   0.239197   0.184001   0.261969   0.178581   0.192989   0.263761   0.199723   0.162904   0.174002   0.247336   0.163219   0.314642 
Dimensionality of Krylov space: 43

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659351   0.712511   0.813887   0.870646   0.942277   1.009593   1.020295   1.060271   1.091887   1.122474   1.151699   1.182592   1.367104   1.463188 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000305c   0.011556    0.18658   0.195266    0.19607   0.200445   0.126838   0.129891   0.171322   0.144116   0.121339   0.123077   0.162725   0.123534   0.189475 
Dimensionality of Krylov space: 57

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659600   0.364183   0.463686   0.480769   0.497774   0.570559   0.604920   0.724971   0.738996   0.870904   0.882156   1.033318   1.088377   1.179414 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000307c   0.004776   0.122458   0.203323   0.158157   0.220149   0.191648   0.207599   0.238203   0.149733   0.131333    0.13377   0.138115   0.148315   0.192911 
Dimensionality of Krylov space: 71

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659646   0.162701   0.230412   0.300233   0.307885   0.325363   0.349327   0.389128   0.418532   0.432298   0.471791   0.531945   0.558756   0.840750 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000302c   0.002124   0.136047   0.149462   0.232985   0.158045   0.187855   0.170611   0.173814   0.168091   0.103207   0.188319   0.201631   0.136388   0.137017 
Dimensionality of Krylov space: 85

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659655   0.043030   0.079035   0.114779   0.142632   0.170348   0.180394   0.187141   0.217755   0.232141   0.296743   0.352420   0.405105   0.440800 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.00028c   0.001118   0.081715   0.111556   0.084805   0.131963   0.089111   0.123341   0.131118   0.133163   0.086935   0.174425    0.15098   0.195688   0.010885 
Dimensionality of Krylov space: 99

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.020175  -0.003932   0.035144   0.047821   0.051444   0.063664   0.072589   0.084402   0.096067   0.111391   0.191999   0.268067   0.415249 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000276c  0.000488c   0.075295   0.089759   0.046175   0.072639   0.054089   0.049465   0.065316    0.07855    0.05879   0.079252   0.125735   0.035258   0.180447 
Dimensionality of Krylov space: 112

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.064351  -0.050635   0.010656   0.012365   0.014347   0.017503   0.025025   0.032797   0.042004   0.049065   0.067339   0.109067   0.161691 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000273c  0.000473c   0.100333   0.079612   0.059656   0.058428   0.042444   0.051327   0.040877   0.053621   0.043217   0.050209   0.145766   0.098347   0.123293 
Dimensionality of Krylov space: 125

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.166967  -0.116854  -0.044096  -0.001339   0.000329   0.002695   0.005161   0.006348   0.011490   0.015104   0.022203   0.045635   0.061565 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000272c  0.000443c   0.067022   0.084584   0.016175   0.026584   0.020268   0.014114   0.029118   0.019567   0.037308   0.032383   0.037206   0.046366   0.074893 
Dimensionality of Krylov space: 138

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.224814  -0.188640  -0.045857  -0.019243  -0.007911  -0.002410  -0.000324   0.001599   0.002038   0.003423   0.008592   0.014016   0.021311 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
  0.00027c  0.000435c   0.027624    0.04071   0.007586   0.048998   0.012829   0.015484   0.009855   0.010996    0.01342   0.017868   0.024879   0.024559   0.042743 
Dimensionality of Krylov space: 151

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.239979  -0.215369  -0.048293  -0.045833  -0.025076  -0.014404  -0.006634  -0.003223   0.000455   0.000520   0.001044   0.003192   0.005189 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000269c  0.000432c   0.012326   0.024289   0.010876   0.005105   0.047562   0.039192   0.025863   0.014944   0.005002   0.005876    0.00813   0.016383   0.013785 
Dimensionality of Krylov space: 164

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.241567  -0.220777  -0.060984  -0.050921  -0.046166  -0.043378  -0.018957  -0.012369   0.000119   0.000138   0.000296   0.000854   0.001931 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000273c  0.000423c   0.009107   0.010945   0.034161   0.009725   0.004015    0.03723   0.023586   0.017863   0.002215   0.002666   0.004075   0.006676   0.010999 
Dimensionality of Krylov space: 177

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.241926  -0.222128  -0.077575  -0.059311  -0.052452  -0.046275  -0.024918  -0.018006   0.000027   0.000043   0.000083   0.000229   0.000450 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000267c  0.000406c   0.003936   0.004123   0.020011   0.019088   0.007973   0.003113   0.011176   0.008686   0.001597   0.001834   0.001972   0.003029   0.005965 
Dimensionality of Krylov space: 190

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.242016  -0.222375  -0.081480  -0.063471  -0.052860  -0.046316  -0.026058  -0.019057   0.000001   0.000014   0.000027   0.000057   0.000071 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000264c  0.000391c   0.001276   0.001782    0.00776   0.007723   0.007301   0.002318   0.004943   0.003965  0.000929c  0.000701c  0.000778c   0.001646   0.001838 
Dimensionality of Krylov space: 200

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.242039  -0.222412  -0.082284  -0.064509  -0.052988  -0.046332  -0.026295  -0.019213  -0.000001   0.000003   0.000011   0.000022   0.000028 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000269c  0.000382c    0.0005c  0.000748c   0.003443   0.004471   0.002488   0.00083c   0.002143   0.001531  0.000771c  0.000936c  0.000684c  0.000839c  0.000735c 
Dimensionality of Krylov space: 205

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661587  -0.659657  -0.242040  -0.222416  -0.082428  -0.064799  -0.053027  -0.046333  -0.026341  -0.019242  -0.000001   0.000002   0.000011   0.000021   0.000027 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000273c  0.000375c  0.000586c  0.000773c   0.001401   0.002732    0.00145  0.000853c   0.001048  0.000724c  0.000637c  0.000918c   0.00071c  0.000776c  0.000732c 
Dimensionality of Krylov space: 209

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661588  -0.659657  -0.242040  -0.222417  -0.082474  -0.064875  -0.053044  -0.046333  -0.026350  -0.019242  -0.000002   0.000001   0.000011   0.000021   0.000027 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000273c  0.000368c  0.000531c  0.000826c   0.001286   0.001485  0.000943c   0.00088c  0.000347c  0.000572c  0.000723c  0.000949c  0.000704c  0.000748c  0.000736c 
Dimensionality of Krylov space: 211

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661588  -0.659657  -0.242041  -0.222417  -0.082500  -0.064903  -0.053044  -0.046334  -0.026350  -0.019242  -0.000002   0.000001   0.000011   0.000020   0.000026 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000274c  0.000359c  0.000538c  0.000794c  0.000649c  0.000883c  0.000926c  0.000861c  0.000345c  0.000626c  0.000796c   0.001009  0.000732c  0.000757c  0.000799c 
Dimensionality of Krylov space: 212

Eigenvalues:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 -0.661588  -0.659657  -0.242041  -0.222417  -0.082500  -0.064903  -0.053044  -0.046334  -0.026350  -0.019242  -0.000011  -0.000002   0.000011   0.000020   0.000026 

Residual maximum components:

         1          2          3          4          5          6          7          8          9         10         11         12         13         14         15 
 0.000267c  0.000359c  0.000515c  0.000783c  0.000674c  0.000921c  0.000927c  0.000863c  0.000345c  0.000621c  0.000786c  0.000634c  0.000838c  0.000665c  0.000788c 
Memory usage: 779.20 MiB
Date: Wed Aug  9 04:07:27 2023
