[CP2K-user] [CP2K:20542] Manual missing BAROSTAT references?
Michela Benazzi
bnzmichela at gmail.com
Fri Aug 9 17:53:57 UTC 2024
Hello everyone,
I hope you're doing well. Happy Friday :)
I have been trying to troubleshoot an NPT issue, and I have been reading
more about thermostats and barostats to diagnose it better. I tried to find
out what type of barostat CP2K uses by default since it is not mentioned in
the manual. I also checked the list of references for barostat/isobaric
system/etc and nothing came up.
I was just wondering:
- What type of barostat is used in CP2K?
- Is it just going to be the same type as the thermostat specification?
(e.g. if I have the following lines, I am using a Nose-Hoover thermostat *and
*a Nose-Hoover barostat:
&BAROSTAT
PRESSURE 1.0100000000000000E+000
TIMECON 50
&THERMOSTAT
TYPE NOSE
&END THERMOSTAT
&END BAROSTAT
Thank you so much!
--
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/8e7b8756-af63-42de-a633-2357faebfd44n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20240809/230561e0/attachment.htm>
More information about the CP2K-user
mailing list