SIC does not converge

flo fsch... at pci.uzh.ch
Thu Jun 12 13:47:00 UTC 2008


Hi,

I'm not an expert in as well, but I think there is a typo. It should
be in use together with ROKS.
I don't know if this features work correctly, but according to the
input reference, you will have to specify as well:
 &SIC
     ORBITAL_SET ALL
 &END
If you want to use SIC together with LSD.
As Fawzi said the default settings will work in combination with ROKS.

Flo


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