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Re: feffNNNN data files

Hi Julie,

 You're right that PRINT 0 0 0 0 0 3 
should produce feffnnnn.dat files - provided any paths were found - 
so probably something is wrong with the feff.inp

Look at list.dat to see if paths are found. If none check the
RPATH and EXAFS cards in the input. FMS should be commented out.

 If you send us a feff.inp file, we'll troubleshoot it for you.

  Cheers,
  John Rehr


On Wed, 29 Oct 2003, Hui Qian wrote:

> 
> Dear feff users,
> 
> I use FEFF8.2 to calculate XANES of an organic molecular. And  want to get a 
> series of feffnnnn.dat files to do fitting. But I can't get such files after 
> I gave values to PRINT card, as the following:
> CONTROL 1 1 1 1 1 1
> PRINT   0 0 0 0 0 3
> 
> According to the manual, they should come out. But...
> 
> Hope to hear from you,
> 
> 
> A beginner of FEFF
> 
> Julie
>