collective variables in NPT metadynamics

[Conrad]

Dear Wei,

One option is to use Plumed, if you've compiled CP2K with support for it.

Please see the documentation for the collective variable, "CELL":
http://plumed.github.io/doc-master/user-doc/html/_c_e_l_l.html

Best wishes,
Conrad
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170209/bf0c38fe/attachment.htm>