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Dear all :

Is that possible to calculate the IETS without any further code editing in VASP?

I saw many theoretical groups calculate the IETS by using VASP.
They didn't mention much more detail in how the process to generate the spectrum and also I cant see any tutorial for the generation of IETS spectrum in the manual of VASP.

So, would you please give me some suggestion to solve this problem?

Thanks for your kind of help.

Shao-Yu

Hi,

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VASP