[Pw_forum] vdW functional not implemented for spin polarized runs

[Duy Le]

--------------------------------------------------
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
>
>
> Quoting WANG Wei <wonvein at gmail.com>:
>
>> Dear everyone,
>>
>> I want to investigate the vdW systems with spin polarized calculations.
>> However, I found that the vdW functional is not implemented for spin
>> polarized calculations yet. It would be better if it will be supported in
>> the near future. Thank you.
>>
>> Sincerely yours,
>> WANG
>>
>>
>> +---------------------------------------------------------+
>>
>> Kawazoe's Lab
>> Institute for Materials Research (IMR),
>> Tohoku University2-1-1 Katahira, Aoba-ku, Sendai,
>> Japan
>> +---------------------------------------------------------+
>>
>
>
>
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