Does ICONST work with IBRION=3?

Queries about input and output files, running specific calculations, etc.


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mckimsinfire
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Does ICONST work with IBRION=3?

#1 Post by mckimsinfire » Wed Jul 03, 2024 2:08 am

Hi,

I saw some discussions that the ICONST constraint doesn't work with IBRION=1 and 2.

I was wondering whether the ICONST works with IBRION=3, or is it just solely for IBRION=0 for now?

Thank you in advance.

alexey.tal
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Re: Does ICONST work with IBRION=3?

#2 Post by alexey.tal » Wed Jul 03, 2024 7:54 am

Hi,

ICONST only works in a molecular-dynamics simulation, i.e., IBRION=0

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