[CPMD-list] PCG MINIMIZE with ROKS (MODIFIED GOEDECKER)

Eneritz Muguruza gonzalez eneritz.muguruza at kcl.ac.uk
Thu Jul 14 11:26:47 CEST 2005

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Hello,


    This is me again, I just notice that I made a mistake in the mail I
sent. The final energy obtained combining the PCG MINIMIZE and ODIIS
methods is the same obtained with the other methods(ODIIS): E=-103.6901
Ha.

   Sorry about the confusion,


          Eneritz

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