[CP2K:3159] DFTB

hut... at pci.uzh.ch hut... at pci.uzh.ch
Fri Mar 25 09:16:19 UTC 2011


as far as I know there is no active development under way for
the DFTB part of CP2K.



Juerg Hutter                         Phone : ++41 44 635 4491
Physical Chemistry Institute   FAX   : ++41 44 635 6838
University of Zurich               E-mail:  hut... at pci.uzh.ch
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland

-----cp... at googlegroups.com wrote: -----
To: cp2k <cp... at googlegroups.com>
From: "Ross, Sun" 
Sent by: cp... at googlegroups.com
Date: 03/24/2011 04:41PM
Subject: [CP2K:3159] DFTB

Hello cp2k developers,
I'm curious about the DFTB functionality in CP2K.  I know that there
are some great ideas recommanded by Cui's group (i.e. DFTB3),
recently.  And I am wondering what the current status is. Does anyone
of your  honors add some new features into DFTB?

Thanks, :)
Best regards.

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