[Ifeffit] Feff for > 175 atoms (appendix)

Bruce Ravel bravel at anl.gov
Mon Aug 20 09:37:51 CDT 2007

On Monday 20 August 2007, s440697 at stud.uni-goettingen.de wrote:
> i opened the one big feff84.f file and searched for "nclusx=175" and
> changed this to "nclusx=300" in the whole file. Then i compiled it with
> f77 -o and so on. I started my feff-run and it seems to be good. Is this
> proceeding wise? I don't know much about such things :-/

That seems right to me.  As a test, you could compare the result on
linux with nclusx=300 to what you ran on windows.  If they are the
same then the two are equally right (or equally wrong!).


 Bruce Ravel  ---------------------------------------------- bravel at anl.gov

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