[CP2K-user] [CP2K:20403] Missing basis sets in online database

rashe...@gmail.com rashedeffat at gmail.com
Tue Jul 2 16:17:08 UTC 2024


Hello,

Sometime ago, I used cp2k version 2.6 with the basis set 
*TZV2PX-MOLOPT-GTH-q4* with the potential *GTH-PBE-q4*. I am now preparing 
cp2k files to be used in version 7.1, however, I cannot find this basis set 
in the updated data files found here:

https://cp2k-basis.pierrebeaujean.net/

Has it been renamed? Can I still use the older data files with the newer 
cp2k versions?

Thanks
eftrsd

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