Re: [Ifeffit] XANES from FEFF9

2018-07-17 Thread manju rao
Thanks Matt for briefing about those parameters. Actually the thing is, I don't have any literature support of the edge which I am simulating. And the experimental data with me is greatly differing from the simulated one, which is expected due to presence of some defects in crystal structure. So,

[Ifeffit] set restrain

2018-07-17 Thread dien...@srnl.doe.gov
Hi, all I wonder if anyone can suggest me on how to set up restrain of a parameter in GDS, for example, to restrain ss in a certain range or no negative. Thank you so much. Dien Li ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://mill