[Wien] radial mesh for total energy

[Peter Blaha]

Don't play with a parameter if it is not in w2web.

All "relevant" parameters can be changed in w2web, others should usually
be kept fixed.

Am 25.09.2011 23:38, schrieb Yundi Quan:
> How many radial mesh points (i.e. npt) should be calculated so as to get a very accurate total energy. The compound I'm calculating has oxygen atoms, lanthanide and nickel and iron.
>
> Yundi
>
>
> _______________________________________________
> 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/
--------------------------------------------------------------------------