[Pw_forum] vdW functional not implemented for spin polarized runs

[Stefano de Gironcoli]

the vdW energy depends on the local polarizability of the electron gas ..
does it depend on the spin density ? I would say so.
Is it taken into account in the current definition of vdw-DF ? I would 
say no...
how is it implemented in GPAW ? just blindly or with some argument ?
stefano

On 04/27/2011 06:35 AM, WANG Wei wrote:
> Thank you for your advice, Deu. Yes, the non-local energy is independent the
> spin density.
>
>
> On 27 April 2011 12:34, Duy Le<ttduyle at gmail.com>  wrote:
>
>> --------------------------------------------------
>> Duy Le
>> PhD Student
>> Department of Physics
>> University of Central Florida.
>>
>> "Men don't need hand to do things"
>>
>>
>>
>> On Tue, Apr 26, 2011 at 1:00 PM, Stefano de Gironcoli<degironc at sissa.it>
>> wrote:
>>> Dear  WANG Wei
>>>    the vdw-DF functional form is not defined for spin polarized system...
>> Or it does mean that non-local energy is not spin-dependent but
>> charge-density-dependent only.
>>>    if you define, implement and test it, you could even get a nice
>>> publication out of it. thank you.
>> The spin-polarized vdW-DF has been implemented in GPAW.
>>> stefano
>>>
>>>
>
>
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