Re: [Ifeffit] Making N (coordination number) a variable.

Or just swap...set N's to be the So^2 from a known coordination standard and define an amp for each shell... e.g. So^2 = 0.8 from standard so all N's set to 0.8, and shell 1 had amp1 in the So^2 position defined as guess, shell2 has amp2, etc.... On 2018-08-01 8:15 AM, Anatoly Frenkel wrote:

Make it 1 in the N window and make amp*N expression in the S02 window instead. Then use N as a coordination number (fix or vary it). Anatoly

------------------------------------------------------------------- Anatoly I. Frenkel Professor Department of Materials Science and Chemical Engineering Stony Brook University Stony Brook, NY 11794, Ph: 631-632-2751 Email: anatoly.frenkel@stonybrook.edu https://mail.bnl.gov/OWA/redir.aspx?C=F6wCGt4adziN6IvpdRQ-rWdgy3Oaoif_x-0ybKTBGBlALcrWeszTCA..&URL=mailto%3ajgchen%40columbia.edu http://you.stonybrook.edu/frenkel

Joint Appointment: Chemistry Department, Brookhaven National Laboratory Upton, NY 11973. Ph: 631-344-3013. Group: 631-344-3494 Email: frenkel@bnl.gov mailto:frenkel@bnl.gov https://www.bnl.gov/chemistry/bio/FrenkelAnatoly.asp Spokesperson, Synchrotron Catalysis Consortium (SCC) at BNL http://you.stonybrook.edu/scc2 -------------------------------------------------------------------

On Wed, Aug 1, 2018 at 11:07 AM, M Solo mailto:sarsol89@gmail.com> wrote:

Hello Is there a way in artemis to make N, coordination number, a variable to be used in GDS window? I do realize that N and ss are closely linked and do very similar things in the fit, but it seems i may need fractional (average) coordination number for one of the paths, and am fine fixing ss to see where N levels off.

Thank you very much.

Alex Solov

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