QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: qingling on August 11, 2015, 03:51

Title: DFT-D3
Post by: qingling on August 11, 2015, 03:51

Whether ATK 2015.b1 version have  implemented the DFT-D3 method, the latest  version of the Grimme dispersion corrections?

Title: Re: DFT-D3
Post by: zh on August 11, 2015, 04:26

Yes. Please see here:
http://www.quantumwise.com/documents/manuals/ATK-2015.beta/ReferenceManual/XHTML/ref.grimmedftd3.html

Title: Re: DFT-D3
Post by: mano on November 13, 2015, 02:31

Above link is not working now. Could you give correct link?

Title: Re: DFT-D3
Post by: Anders Blom on November 13, 2015, 11:09

http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/XHTML/ref.grimmedftd3.html

Title: Re: DFT-D3
Post by: Umberto Martinez on November 13, 2015, 15:59

And please, also update ATK and VNL to the newest stable release 2015.0, in case you did not aready:
http://quantumwise.com/publications/quantumwise-news/item/908-vnl-atk-2015-released