parllel eigen solvers

Mikhail Kuzminsky kus at free.net
Mon Jul 23 12:44:16 EDT 2012


According to Arthur H. Edwards
> 
> I should point out that density function theorcan be compute-bound on
> diagonalization. QUEST, a Sandia Code, easily handles several hundred
> atoms, but the eigen solve dominates by ~300-400 atoms. Thus,
> intermediate size diagonalization is of strong interest.
> 
> Art Edwards
> 
  Yes, I agree w/you about DFT.

Yours
Mikhail Kuzminsky
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