[CP2K-user] [CP2K:19202] density-dependent energy correction (DFT-dDsC) dispersion models in CP2K

[Jürg Hutter]

Hi

no such models are available in CP2K. I'm also not aware of any project to implement
such features.

regards
JH

________________________________________
From: cp2k at googlegroups.com <cp2k at googlegroups.com> on behalf of Vyacheslav Bryantsev <vyacheslav.bryantsev at gmail.com>
Sent: Wednesday, August 16, 2023 12:05 AM
To: cp2k
Subject: [CP2K:19198] density-dependent energy correction (DFT-dDsC) dispersion models in CP2K

Dear All,

I am writing to check if the density-dependent energy correction (DFT-dDsC) dispersion models (references are below) are or will be available in CP2K?

Thank you,
Slava


  1.  S. N. Steinmann and C. Corminboeuf, J. Chem. Phys. 134, 044117 (2011).<https://doi.org/10.1063/1.3545985>
  2.  S. N. Steinmann and C. Corminboeuf, J. Chem. Theory Comput. 7, 3567 (2011).<https://doi.org/10.1021/ct200602x>

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