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   Warning: Magnitude of eigenvalue 120 too large.  Replaced by    25.000000

       Cycle    Total Energy   Energy change   Max Gradient   Max Displacement
opt==   57    -11375.5802716     -0.0018621        0.037335       0.381397


~~~~~~~~~~~~~~~~~~~~ Start Computing SCF Energy/Gradient ~~~~~~~~~~~~~~~~~~~~

----------------------------------------------------------------------
----------------------------------------------------------------------

Note: One or more atoms were translated into the central cell

Integration points and checksum:     246320     799.998173  194
Distribution of Integration points per processors
Processor #   0 uses 123106 Grid points
Processor #   1 uses 123214 Grid points
Average number of Integration points per processor:     123160
Current processor   0 uses     123106 Integration points
Message: Starting density read from G_m_1.2__0_0_1_.tpdensk                                                                                                                                                                                                                                         
Message: Start SCF iterations

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pengyu

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Average number of Integration points per processor:     123160
Current processor   0 uses     123106 Integration points

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fegg7502

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Originally posted by pengyu at 2007-10-3 02:11 AM:
Average number of Integration points per processor:     123160
Current processor   0 uses     123106 Integration points

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