[Ifeffit] atoms location in feff.inp
eugenioh at gmail.com
Fri Jul 17 07:23:16 CDT 2009
I am performing some XANES simulations of site distortion in ZnO, and found
some problems to change atoms position and run atoms. I want to know if is
the same to change the atoms position of the ipot0 in the feff.inp file.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Ifeffit