[Wien] how to construct the .inorb file for two orbital in one atom.

[Yushan Wang]

just for fun, for PbS, the Pb has 4f14 and 5d10, I just want to calculate 
the total energy.

yushan

On Fri, 25 Mar 2005, Peter Blaha wrote:

>> for one orbital of one atom, it 's easy to handle, but how to do if for two
>> orbitals  of one atom.
>> what is the format?
>
> It is NOT supported. Why would you use it ? Usually there is no case where
> this makes sense, thus we did not implement this.
>
>                                      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/
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