Cell optimization : z direction constraint

josué Maya maya... at gmail.com
Wed Jun 1 13:07:25 UTC 2016

> As you are talking about cell optimisation, please can you explain to me 
> how I can do a Cell optimization ? I want also to know how to set cell size 
> ? i want to get cell parameter for a dimer of ethanol. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160601/0cc5828a/attachment.htm>

More information about the CP2K-user mailing list