[Wien] case.energy

Fred Nastos nastos at physics.utoronto.ca
Wed Jan 5 00:36:06 CET 2005


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.

Thanks again.




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