[Pw_forum] van der waals force

[Nicola Marzari]

Axel Kohlmeyer wrote:
> 2009/5/19 Mehrnaz Anvari <anvari_meh at physics.iust.ac.ir>:
>> Dear axel
>> Thanks a lot because of your answer. As you said I am trying to understand
>> the DFT-D method. Now I have another question about difference between
>> pseudo potential code & full one. Is the latter suitable for dispersion
> 
> dear mehrnaz,
> 
> this question can be answered with common sense. there are
> two points to consider:
> a) pseudopotentials integrate out core electrons. can you imagine
>    those to contribute to dispersion interactions?


I couldn't, but it was pointed out that Pekka Pykko has done a lot
of work discussing the relevance of vdW interactions between filled
d-shells (e.g. in silver compounds).

			nicola


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