[CP2K-user] [CP2K:19720] NPT metadynamics?
'Karl Irikura' via cp2k
cp2k at googlegroups.com
Wed Jan 10 15:02:41 UTC 2024
Dear CP2K experts,
I would like to learn how to do computations like those described in
[doi: 10.1021/acs.jpcb.5b05211]. I would like to study the effect of
pressure. Is this possible using CP2K?
If it is, can you suggest how I should learn the technical part?
Unfortunately I have no experience with either MD or PBC-electronic
structure.
Thanks for any advice,
Karl
--
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/73363fe9-e2ca-4173-8108-1345ad1a4cddn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240110/d345569c/attachment.htm>
More information about the CP2K-user
mailing list