[CP2K-user] [CP2K:18973] charge density difference

HUAN BI hbi.trans.sci at gmail.com
Sat Jun 24 13:43:36 UTC 2023

Dear All,
I want to calculate the charge density difference. Before using VASP, you 
can enter the following requirements via the command of LCHARG = .TRUE. :

A charge difference can be output, using the overall charge density minus 
the charge density of individual atoms.

Now I want to output the above file through CP2K, what command should I 
write in the output part of the energy calculation?

Huan Bi

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/c9cd823d-0757-4bb6-b71f-3362bcb510b7n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230624/f3a07113/attachment.htm>

More information about the CP2K-user mailing list