OUTER_SCF

marc marcvanh... at gmail.com
Fri Apr 3 11:55:51 UTC 2009


OK I understand.

Thanks very much guys

marc

On Apr 3, 12:15 pm, flo <fsch... at pci.uzh.ch> wrote:
> Just a short remark. The outer loop optimization is used as well if
> you apply constraints on the density (DDAPC,S2,...). In this case the
> outer scf can have a different convergence criterium, since the
> variable to optimize is a different one than the SCF convergence
> criterium.
>
> Flo


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