[CP2K-user] Is there a way to preform chemical bonding analysis
Carlos Bornes
cbor... at gmail.com
Fri May 21 09:38:45 UTC 2021
Hi,
I was wondering if there is any CP2K implementation of the Lobster program
or any sort of alternative to performing chemical bonding analysis.
The lobster program I'm talking about is the one is this
link http://www.cohp.de/. According to their website is only implemented
for VASP, QE, and Abinit as I believe it requires plane-wave DFT.
I'm also open to an alternative to this so just let me know, how you go
about doing this for your calcualtions.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210521/c5cad908/attachment.htm>
More information about the CP2K-user
mailing list