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Re: RPATH card

On Thu, 30 Oct 2003, Hui Qian wrote:

> Hello John,
> Thanks for  your quickly response and timely help. Now I have one question 
> again. In manual page 25 under RPATH card ,says "if you use FMS for XANES 
> calculation,better results are obtained without the MS contribution".Does 
> that mean we don't use RPATH card?

  Almost right, but ...

  Actually for FMS XANES calculations one should set RPATH to a very
small number so no paths will be found (otherwise the code will use the
default value of rpath which is 2.1 * the near neighbor distance), e.g.

XANES
* RPATH [r_path]
RPATH 0.1
*FMS [r_fms, l_fms]
FMS 4.6 1

  J. Rehr