[Ifeffit] Inquiry About Demeter's Capabilities in Simulating Spectra from Structures

[Esmael Balaghi]

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 wrote:
>
> 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 generate X-ray absorption spectra based on detailed structural 
> information. This functionality would be extremely valuable for my work.
>
> Could you please provide information on whether Demeter includes this 
> feature? Additionally, if there are any relevant guidelines or 
> documentation on how to use Demeter for this purpose, I would greatly 
> appreciate if you could point me in the right direction.
>
> Thank you for your time and assistance. I look forward to your response.
>
> Best regards,
>
> XUwei
>
>
>
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-- 

Dr. S. Esmael Balaghi
Postdoctoral researcher
University of Freiburg
Freiburg Center for Interactive Materials and Bioinspired Technologies (FIT)
Georges-Köhler-Allee 105
D-79110 Freiburg
Germany
Phone: +49 761 203 95070 (Office: 00.024)
Email: esmael.balaghi at fit.uni-freiburg.de
Linkedin: www.linkedin.com/in/esmael-balaghi 
<https://www.linkedin.com/in/esmael-balaghi/>
Homepage: 
https://www.nanomaterialien.uni-freiburg.de/group/members/esmael_balaghi
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