Hi,
so with the new version 5.2.2 is it actually possible to simulate an IR spectrum via linear response calculations? It was my understanding that up till now some third party software packages were needed to calculate IR spectrum from the VASP data
thanks
JOnas
version 5.2.2 IR spectrum simulation
Moderators: Global Moderator, Moderator
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jbaltrus
version 5.2.2 IR spectrum simulation
Last edited by jbaltrus on Sun May 31, 2009 3:04 am, edited 1 time in total.
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support_vasp
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Re: version 5.2.2 IR spectrum simulation
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP