coordinate output of CP2K

simin pahlavi simin.... at gmail.com
Wed Apr 25 15:50:16 UTC 2018


Dear CP2K users
Hello,
I have a question and appreciate any answer.
I want to know that if the output coordinate of cp2k is wrapped or not? 
How we could plot the pair distribution function of cp2k output in an NPT 
ensemble.
Best regards
Simin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180425/06f5098b/attachment.htm>


More information about the CP2K-user mailing list