[CP2K-user] Becke-Johnson damping function - DFT-D3
stanisl... at gmail.com
Tue Oct 16 09:38:36 CEST 2018
while running some tests I found out that I can get no reference for Becke
Johnson parameters for B97-3c. Also, the numbers in the source code for
this functional seem a bit suspicious to me. The reference links of Bonn
Universitat has already changed
and B97-3c nor such numbers can not be found there. Is there some other
reference/test that I miss?
On Friday, January 11, 2013 at 1:50:24 PM UTC+1, Sandeep Kumar Reddy wrote:
> Dear all,
> Is it possible to use Becke-Johnson function (DFT-D3) in
> cp2k ? (vanderWaals interaction)? If so, which keywords should i use?
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