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

Sergi Ruiz-Barragan sergi.ru... at gmail.com
Fri Feb 21 16:34:40 UTC 2020


Hi Juerg,

Is there any solution for it?

I spend two month checking what was the problem with my NPT simulations 
before I found it. 

After that, I tried different recent version (2019-03, the last that I 
tried) and the problem persists. It is quite annoying because no error 
appears during the simulation, but the answer is completely wrong. 

Thanks!
Best, 
Sergi
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200221/33f5a771/attachment.html>


More information about the CP2K-user mailing list