[CP2K-user] [CP2K:7213] Re: drastic change in pressure on changing smoothing

Travis polla... at gmail.com
Sat Feb 22 19:37:35 UTC 2020



Figs 12 and 13.


On Saturday, February 22, 2020 at 5:53:53 AM UTC-5, Sergi Ruiz-Barragan 
> Hi Travis,
> Which is the paper? Can you pass to me the doi?
> On the other hand, I really don't want to converge the density. Simply I 
> want to know the Pressure in my NVT simulations, so, at the same level, 
> same quality.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200222/5cffbd50/attachment.htm>

More information about the CP2K-user mailing list