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

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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