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:
Ma
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
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Anatoly I. Frenkel
Professor
Department of Materials Science and Chemical Engineering
Sto
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 s
