[CP2K:4244] Becke-Johnson damping function - DFT-D3

[hut... at pci.uzh.ch]

Hi

I assume you are refering to the BJ damping function recently
explored together with the DFT-D3 empirical method.
This is not implemented in CP2K.

regards

Juerg Hutter 

--------------------------------------------------------------
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: cp... at googlegroups.com
From: Sandeep Kumar Reddy 
Sent by: cp... at googlegroups.com
Date: 01/11/2013 02:03PM
Subject: [CP2K:4244] Becke-Johnson damping function - DFT-D3

Dear all,
              Is it possible to use Becke-Johnson function (DFT-D3) in cp2k ? (vanderWaals interaction)? If so, which keywords should i use?

Thanks. 

Regards,
Sandeep  
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