alchemy energies

Noam Bernstein no... at bollweevil.gdbg.org
Tue Oct 25 17:35:49 CEST 2011


Hi - is there a way for me to easily get at the energies of the
two individual calculations that are used as components of
a MIXED FORCE_EVAL?  I know I can get them from the
PROJECT-r-N.out files of the particular compute nodes, but
I was hoping for a &PRINT section entry that would get them
printed out on the head node.  Unfortunately, neither the PRINT
sections of FORCE_EVAL nor DFT seem to let you print the
energy.

     thanks,
     Noam



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