simin pahlavi simin.... at gmail.com
Tue Jul 24 10:10:31 UTC 2018

Hello Cp2k users

I have a question about CELL_REF  and I appreciate it if you reply me with 
the answer.
If during the NPT simulation, the box length and volume decreases, one 
should set the CELL_REF to the final small box length? or just this 
CELL_REF works in the situation  where the Box length increases during the 
Thanks in advance 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180724/9026c36f/attachment.htm>

More information about the CP2K-user mailing list