[CP2K-user] [CP2K:16572] CP2K vs Gaussian

Najmeh Zahabi n.zahabi1995 at gmail.com
Wed Feb 9 16:52:23 UTC 2022

Dear experts,

I am performing DFT calculations using the QS method. Also, I did the same 
using Gaussian, but the results are different. It seems that it is because 
of the difference in the basis set. How can I remove the plane wave part of 
the basis set in CP2K?

You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/f6befc23-d179-4c75-8c8d-5621bd009fc8n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20220209/f11ca1d2/attachment.htm>

More information about the CP2K-user mailing list