[CP2K:9563] localized charge on the surface

[hut... at chem.uzh.ch]

Hi

no, you cannot define localized background charges in CP2K.

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: Amin 
Sent by: cp... at googlegroups.com
Date: 10/17/2017 11:01AM
Subject: [CP2K:9563] localized charge on the surface

Dear all,
I was wondering is there an approach to investigate effect of localized charge (rather than using a background charge which is distributed in whole volume of the super-cell) on the surface by using CP2K? 



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