Pt basis set and potential q10

Yuke Li yuke... at gmail.com
Tue Feb 6 08:54:55 UTC 2018


Dear all,

I find some people calculating the system containing Pt using quickstep. 
They used the 10 electrons GTH PBE potential. However,
There is no 10 electron basis set for Pt. the manual said, we shoud use the 
basis set and potential which are the same number of electrons.
where do I find the 10 electron basis set for Pt ?

Best,
Yuke
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20180206/bf6568e5/attachment.htm>


More information about the CP2K-user mailing list