[Pw_forum] VDW-DF2

Stefano de Gironcoli degironc at sissa.it
Wed Aug 8 21:33:08 CEST 2012


probably is just a typo in your massage but the god keyword is not vdm-df2 but vdW-DF2
check you are using the latest version of the code... there was a problem at a given point with the way the LDA part was added at a given point (basically it was added twice...)

stefano



On 08/08/2012 09:18 PM, bf azi wrote:
> Hi Dear all
>
> In my system Van der waals interaction play important role and I use
> PBE-Ultrasoft pseudopotential in my system and dft_input="vdm-df2" ,
> But my Result not good and Diagram of Energy via Distance have not
> good Minimum.
>
> Can help me please?
>
>
> Bani Adam
> Faculty of Science
> Egypt
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