[CP2K:3159] DFTB
hut... at pci.uzh.ch
hut... at pci.uzh.ch
Fri Mar 25 09:16:19 UTC 2011
Hi
as far as I know there is no active development under way for
the DFTB part of CP2K.
regards
Juerg
--------------------------------------------------------------
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
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-----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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