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

Peter Blaha pblaha at zeus.theochem.tuwien.ac.at
Fri Mar 25 08:59:51 CET 2005


> 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
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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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