Hello,
I am looking for some help on trying to understand what is wrong with our data. We are very impressed with the high values of amplitude (up to 390.24) that we got working with Artemis and we know are wrong. Hope somebody could help us and take a look into these files, we will appreciate it.
Thank you in advance!
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit I am not familiar with Feff8 INP files but it seems there are too many O
On 8/11/2010 5:41 AM, Edgar Macias wrote: paths in the Feff calculations. It calculated scattering paths using the Cu-O 2nd nearest neighbor as Ru-O 2nd paths which doesn't exist. You can see this if you have crystallographic software that allows measuring atomic distance between atoms such as Balls&Sticks which is free software and quite useful. All of the other distances correlate to the distances from the structure. buena salud, -- Chris Patridge PhD. Candidate Dept. of Chemistry SUNY University at Buffalo Buffalo, NY 14260 Contact: 315-529-0501