[CP2K-user] [CP2K:18810] Correct Citation for the GTH-UZH potentials and basis sets.

[Jürg Hutter]

Hi

there is no publication related to these potentials and basis sets available. I would suggest to refer
to the original GTH and MOLOPT papers together with the CP2K version number for
the PP and Basis set files used.

regards
JH

________________________________________
From: 'John' via cp2k <cp2k at googlegroups.com>
Sent: Wednesday, May 10, 2023 4:21 PM
To: cp2k
Subject: [CP2K:18798] Correct Citation for the GTH-UZH potentials and basis sets.

To whom it may concern,

What is the correct citation for the GTH pseudopotentials in the POTENTIAL_UZH file and the basis sets in the BASIS_MOLOPT_UZH file in the cp2k data directory?

John J. Low
Argonne National Laboratory

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