[CP2K:8474] implicit solvent

hut... at chem.uzh.ch hut... at chem.uzh.ch
Mon Dec 12 12:40:32 CET 2016


yes, the implicit solvent model can handle PBC.
If your calculation will make sense strongly depends on your system.


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

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: hanieh.... at gmail.com
Sent by: cp... at googlegroups.com
Date: 12/12/2016 09:12AM
Subject: [CP2K:8474] implicit solvent

Hi everypne,
Is it possible to apply implicit solvent for crystal structures by CP2k?

Thank you


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