[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
Code 6134, Building 3, Room 405
Naval Research Laboratory phone: (1) 202 767 2268
Washington DC 20375, USA fax: (1) 202 767 4642
NRL Synchrotron Radiation Consortium (NRL-SRC)
Beamlines X11a, X11b, X23b
National Synchrotron Light Source
Brookhaven National Laboratory, Upton, NY 11973
My homepage: http://feff.phys.washington.edu/~ravel
EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/
More information about the Ifeffit
mailing list