Hi Eckhard: On Fri, 29 Feb 2008, [EMAIL PROTECTED] wrote:
> Hi, > > does your proceeding make sense for XANES calculations, too? For example > for an atom-cluster with some sulfur absorber? > > best regards, > Eckhard > > Yes, you can do this for XANES calculations too. The outputs need to be summed over all the inequivalent positions. Carlo -- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 [EMAIL PROTECTED] http://www.iit.edu/~segre [EMAIL PROTECTED] _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
