DFTB3 SK_FILE fromat

Sal sria... at uci.edu
Tue Mar 6 19:20:36 UTC 2018


Dear CP2K Developers/Users,
I was wondering if the DFTB3-3OB parameter files provided at 
https://www.dftb.org/parameters/download/3ob/3ob-3-1-cc/ can be directly 
used in CP2K without any modification. 
 
Thanks for your time,
Saleh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180306/67b2e758/attachment.htm>


More information about the CP2K-user mailing list