[Wien] vdW

Gavin Abo gsabo at crimson.ua.edu
Wed Oct 31 03:57:38 CET 2012


According to the Conclusions section of the following article, the 
noloco code has different flavors of vdW density functionals included 
and can be used in combination with Wien2k.

noloco: An efficient implementation of van der Waals density functionals 
based on a Monte-Carlo integration technique
Computer Physics Communications, vol. 182, pp. 1657-1662, 2011
http://dx.doi.org/10.1016/j.cpc.2011.04.015

On 10/30/2012 7:43 PM, guohuaihong wrote:
>
>        Dear Prof. Blaha,
>
>
>    Does van der walls (/vdW/)  exchange correlation functional is 
> implemented in wien2k?
>
>    Thanks in advance.
>
>    Best wishes!
>
>     H.H.Guo
>
>
>
>
> --
> Magnetism and Magnetic Materials Division
> Shenyang Materials Science National Laboratory
> Institute of Metal Research
> Chinese Academy of Sciences
> 72 Wenhua Road,Shenyang 110016, China
>
>
> +86-15140243901 (mobile)
> work:     hhguo at imr.ac.cn
>
>
>
>
>
>
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