[CP2K-user] Which type of barostat is used in cp2k?

Harender Singh 1harend... at gmail.com
Fri Dec 27 09:45:33 UTC 2019


Dear all, 
I am planning to do NPT simulation in CP2K. We can provide the parameters 
for barostat in the MD section, however, I am unable to find which barostat 
is being used here. 
Is there any way to specify the type of barostat? If not, then what is the 
default barostat of NPT ensemble?

Thanks a lot, 
Harender S. Dhattarwal
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20191227/1a0951aa/attachment.htm>


More information about the CP2K-user mailing list