[Wien] Van der Waal force inclusion
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu May 22 13:13:56 CEST 2014
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/
--------------------------------------------------------------------------
More information about the Wien
mailing list