To: ifeffit@millenia.cars.aps.anl.gov
Subject: [Ifeffit] Debye model on Artemis
Hi Matt,
Concerning the third cumulant, my problem is to use a particular model
for it. Some articles (Frenkel and Rehr, PRB 48 (1993) 585; Araujo et
al, PRB 74 (2006) 184102) show how to use the Einstein model on
On Wednesday 12 May 2010 01:59:02 pm Kleber Daum Machado wrote:
> Hi Matt,
>
> Concerning the third cumulant, my problem is to use a particular model
> for it. Some articles (Frenkel and Rehr, PRB 48 (1993) 585; Araujo et
> al, PRB 74 (2006) 184102) show how to use the Einstein model on Artemis,
>
Hi Matt,
Concerning the third cumulant, my problem is to use a particular model
for it. Some articles (Frenkel and Rehr, PRB 48 (1993) 585; Araujo et
al, PRB 74 (2006) 184102) show how to use the Einstein model on Artemis,
since these articles show the expressions that should be defined for
s
Hi Kleber,
> I'd like to use the third cumulant option in Artemis, but considering the
> Debye model. Artemis has a Debye function for the second cumulant
> (Debye-Waller factor) but not to the third. How could this be done in
> Artemis?
The debye and eins functions in Artemis/Ifeffit calculates
Hi Kleber:
I think of the Debye model as a model for the stiffness of the bond
between two atoms that is like a spring. The vibration depends on the
length of the spring (distance between the atoms) and the stiffness of
the spring as related through the Debye temperature. Above the Debye
tempera
I'd like to use the third cumulant option in Artemis, but considering
the Debye model. Artemis has a Debye function for the second cumulant
(Debye-Waller factor) but not to the third. How could this be done in
Artemis?
Kleber
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