[Wien] case.energy

Fred Nastos nastos at physics.utoronto.ca
Wed Jan 5 00:52:37 CET 2005


On January 4, 2005 06:36 pm, Fred Nastos wrote:
> On January 4, 2005 06:28 pm, Peter Blaha wrote:
> > > Could someone please tell me which subroutine prints out the
> > > case.energy file?
> >
> > SRC_lapw1/tapewf.F  (and inilpw.f for the first 2 lines)
>
> Thanks.  It was just the first two lines I needed.  I could tell, from
> trial and error, that it was 2*Number_Of_Atoms, but I needed to
> be sure.

Geee... I'm not being very clear today...  and sorry for the extra emails.
By "it" I mean the number of header lines in case.energy, before the
actual eigenvalues.




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