Correct volume of the simulation box

bharat bharats... at
Fri May 29 17:10:13 UTC 2015

Hello everyone,
Is there any other way to find a correct volume of the simulation box 
without NPT calculations? I am adding an ion in a water box and need to 
know the correct volume (there is no real volume of ion in the literature).

Sorry if question is so obvious. 

Best regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list