[Wien] Tiny error in CHARG2 ?

Laurence Marks L-marks at northwestern.edu
Tue Nov 6 15:30:12 CET 2012


It was from Luiz G. Ferreira

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-September/017677.html

I think it is the question of including something like
0.5*R(1)*VALUE(1) with charge.f. He sent a suggested interpolation (I
think), but I do not have it.

On Tue, Nov 6, 2012 at 8:24 AM, Peter Blaha
<pblaha at theochem.tuwien.ac.at> wrote:
> Hmm. At the moment I do not know what you mean ?
>
> What change did I suggest to lapw0 ?
>
> Am 06.11.2012 13:55, schrieb Laurence Marks:
>> Can you please send me (again) your suggested change? I am chasing
>> small inaccuracies in lapw0, so I can test it. Thanks.
>>
>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
> --------------------------------------------------------------------------
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi


More information about the Wien mailing list