Hi XUwei,
If you are interested in simulating the pre-edge and XANES region, I
would suggest looking at the FDMNES package. This is a great alternative
to JFEFF for detailed DoS and XANES simulations based on the structural
models.
https://fdmnes.neel.cnrs.fr/
SEB
On 1/9/2024 8:24 AM, 徐微
@millenia.cars.aps.anl.gov Cc: 杨波
Subject: [Ifeffit] Inquiry About Demeter's
Capabilities in Simulating Spectra from Structures p {margin:0 0 14px
0}.default-font-1704785066401 {font-size: 14px;font-family: 宋体, arial, Verdana,
sans-serif}Dear IFEFFIT Team,I hope this message finds you well. I am writing
Dear IFEFFIT Team,
I hope this message finds you well. I am writing to inquire about the
capabilities of the Demeter software suite, specifically regarding its ability
to simulate spectra from given structural data.
I am particularly interested in understanding whether Demeter can be used to
