BSSE for each frame of a trajectory

ganta.pra... at gmail.com ganta.pra... at gmail.com
Fri Aug 3 19:21:24 CEST 2018


Dear CP2K users/team,

Is it possible to calculate BSSE of each frame of a trajectory, by giving 
the trajectory file as an input. (Like REFTRAJ). Please let me know

Have a nice weekend. 

Thanks and Regards,
Prasanth.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180803/47242842/attachment.html>


More information about the CP2K-user mailing list