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

[Robert Gordon]

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.fren...@stonybrook.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: fren...@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 > 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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Re: [Ifeffit] Making N (coordination number) a variable.

[Anatoly Frenkel]

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.fren...@stonybrook.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: fren...@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  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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> Ifeffit mailing list
> Ifeffit@millenia.cars.aps.anl.gov
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> Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit
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[Ifeffit] Making N (coordination number) a variable.

[M Solo]

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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