[Pw_forum] init_london Error

[Stefano de Gironcoli]

vdW-DF is not yet implemented in the DFPT part.
we are working on that,
stefano
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Stefano de Gironcoli - SISSA and DEMOCRITOS

On 07/01/2011 09:45 AM, Paolo Giannozzi wrote:
> On Thu, 2011-06-30 at 12:36 -0400, Vikas Varshney wrote:
>
>> Lets say for my system of interest, I want to use LDA functionals with
>> vdw-DF setting (which will modify the wavefunctions) and run an SCF
>> calculation on a previously relaxed geometry. Then, I do the phonon
>> dispersion calculation (...). In that case, will the calculated
>> dynamical matrix include the interactions from vdw forces as well?
> only in part, because you will start from vdw-aware wavefunctions,
> but you will miss the vdw term in the second derivative of the
> exchange-correlation functional. I just heard rumors that this
> will be soon implemented, though
>
> P.