[Wien] Van der Waal force inclusion

Dileep Krishnan dileep at jncasr.ac.in
Fri Aug 1 08:37:16 CEST 2014


When will be wien2k_14 released? I am waiting for it for doing DFTD3 calculation.
- thanks 

----- Original Message -----
From: "Peter Blaha" <pblaha at theochem.tuwien.ac.at>
To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
Sent: Thursday, May 22, 2014 4:43:56 PM
Subject: Re: [Wien] Van der Waal force inclusion

DFTD3 (and previous version) will be included in the next release of 
WIEN2k (in about 3-4 weeks).


On 05/22/2014 12:10 PM, Dileep Krishnan wrote:
> Hello users and developers,
>
> Is there any way to perform the DFTD2 method in any version of WIEN2k? I wanted to include Van der Waal's interactions to my bulk MoS2 calculations.
>

-- 

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: 
http://info.tuwien.ac.at/theochem/
--------------------------------------------------------------------------
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

-- 
Dileep Krishnan,
Int. Ph. D Student,
International Centre for Materials Science (ICMS),
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR),
Jakkur, Bangalore-560064,
INDIA.


More information about the Wien mailing list