[CP2K-user] Feature request - possibility of extending the LRI-DZVP-MOLOPT-GTH-MEDIUM basis set to more atoms?
Torstein Fjermestad
tfjer... at gmail.com
Tue May 12 19:38:11 UTC 2020
Dear developers,
I see that the LRI-DZVP-MOLOPT-GTH-MEDIUM auxiliary basis set includes the
atoms H, C, N, O, F, and Cl.
Would it be possible to include more atoms in this basis set?
Personally, I would be very happy is Si and Al were included.
Thanks and regards,
Torstein Fjermestad
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