[Ifeffit] Third cumulant in DWF

Ping, Yuan ping2 at llnl.gov
Fri Apr 1 16:03:17 CDT 2011


Dear IFEFFIT experts:

Is it possible to add a k^3 term in the phase for fitting to take into account anharmonic effect? The fitted coefficient will be proportional to the 3rd cumulant of Debye-Waller factor. I work with high-temperature high-pressure systems where anharmonic effect is not negligible.

Thanks.
Yuan Ping
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