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@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/