[Ifeffit] problems with atoms and tkatoms

Bruce Ravel ravel at phys.washington.edu
Thu Jul 29 15:53:17 CDT 2004


On Thursday 29 July 2004 04:40 pm, Carlo U. Segre wrote:
> I import an atoms.inp that I wrote out previously (attached).  This file
> written out previously when I used it with tkatoms to make a *.xyz file.
> I notice that it does not properly read the angles but I fill them in
> anyway.  When I run atoms to get the FEFF input file I get the following
> error:

The attachment didn't stick ;-)

Could you email the troublesome atoms.inp file to so I can see this
error in action.

B

-- 
 Bruce Ravel  ----------------------------------- ravel at phys.washington.edu
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