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elelctronic steps

Posted: Tue Mar 27, 2007 5:49 am
by kanhere
what is the meanning of RMM/DAV tags in electronic steps?

elelctronic steps

Posted: Tue Mar 27, 2007 12:15 pm
by admin
the kind of algorithm which is used:
DAV ... blocked Davidson scheme
RMM... RMM-DIIS (minimization of the residua, direct inversion in the iterative subspace).
please have a look at the chapter Theoretical Background of the online handbook for further explanations.