[CP2K-user] [CP2K:20214] Automatic basis set generation not activated

[Jürg Hutter]

Hi
we will need more information:
Your full input and the CP2K version you are using.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Jia-Run Huang <huangjr9710 at gmail.com>
Sent: Wednesday, May 15, 2024 5:38 PM
To: cp2k
Subject: [CP2K:20212] Automatic basis set generation not activated

Hello,
I am trying to run a SP with a hybrid functional and the ADMM method. When i use ADMM with AUX_FIT basis sets, I get this error:
Automatic basis set generation not activated
I have checked the AUX_FIT keywords and cannot solve it.  Want some help.
Best,
J.-R. Huang

    &KIND O
      ELEMENT O
      BASIS_SET DZVP-MOLOPT-SR-GTH-q6
      BASIS_SET AUX_FIT admm-dzp-q6
      POTENTIAL GTH-PBE
    &END KIND
    &KIND Fe
      ELEMENT Fe
      BASIS_SET DZVP-MOLOPT-SR-GTH-q16
      BASIS_SET AUX_FIT admm-dzp-q16
      POTENTIAL GTH-PBE
      MAGNETIZATION  4.00
    &END KIND

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