[CP2K-user] [CP2K:12901] Does CP2K allow semi-empirical method (DFTB) with implicit solvation models?

hut... at chem.uzh.ch hut... at chem.uzh.ch
Fri Feb 21 06:35:34 UTC 2020


Hi

this feature is not available in CP2K, and to my best knowledge
it is also not planned.

regards

Juerg Hutter
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
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-----cp... at googlegroups.com wrote: -----
To: "cp2k" <cp... at googlegroups.com>
From: "Ajay Muralidharan" 
Sent by: cp... at googlegroups.com
Date: 02/21/2020 02:03AM
Subject: [CP2K:12901] Does CP2K allow semi-empirical method (DFTB) with implicit solvation models?

Does CP2K allow semi-empirical method (DFTB) with implicit solvation models? If not, is it something in the pipeline for implementation?
  
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