[Wien] Mulliken population
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu Oct 16 14:24:28 CEST 2008
There's no Mulliken population in WIEN2k.
We have partial charges within atomic spheres instead.
Donghui Guo schrieb:
> Dear all,
>
> Is there anyone can tell how to check/calculate Mulliken population?
> I didn't find it in usersguide.
> Thank you!
>
> Best regards,
> Yours,
> Donghui Guo
> 2008-10-16
>
>
> ************************************************
> Donghui Guo
> Catalysis Research Center (CRC)
> Hokkaido University
> 21-10 Kita, Sapporo 001-0021
> Japan
> dhguo at cat.hokudai.ac.jp
> TEL: +81-11-706 9114 (office)
> ******************************************************
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
--
P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671 FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at WWW: http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------
More information about the Wien
mailing list