Missing basis sets in online database

1 view
Skip to first unread message

rashe...@gmail.com

unread,
12:17 PM (11 hours ago) 12:17 PM
to cp2k
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:


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

Thanks
eftrsd
Reply all
Reply to author
Forward
0 new messages