[CP2K-user] Is there a way to print the density of my cluster of atoms or molecule?

[Dev Rana]

Hello,

I'm running an NPT DFT based MD on an Al64 block at 1000K. I've set up my 
initial crystal to have the right density (2.735 g/cm3) based on the 
density of molten Al at 1000K. As my MD progresses, I'd like to make sure 
that the density is remaining the same or near enough. Is there a print 
command that would give me the density of my molten block per MD step? I'd 
like to plot density vs time. 

Thanks!
Dev
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200527/64888ea6/attachment.htm>