[Pw_forum] External E-field Calculation for Bulk

[Mohammad Abu Raihan Miah]

Hi,

When I am simulating for the effect of the finite electric field, I cannot
use npool as it is not supported. But I have a huge 64 atom bulk solid and
for parallelization I may have to use npool.

Could anyone give me any suggestion regarding the k-point selection for
this case? Or how can I do the long calculation without using npool?

Thank you very much.

On Sun, Sep 11, 2016 at 1:16 PM, Mohammad Abu Raihan Miah <
mraihanm at eng.ucsd.edu> wrote:

> Dear Mostafa,
>
> Thank a lot for your reply. I will look into it.
>
> Best,
>
> On Sun, Sep 11, 2016 at 6:59 AM, Mostafa Youssef <myoussef at mit.edu> wrote:
>
>> Dear Mohammad,
>>
>> Yes you can simulate electric field effect on bulk 3D material. In pw.x
>> input description check lelfield = .true.
>> Also check these two papers:
>>
>> http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.89.157602
>>
>> http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.89.117602
>>
>>
>> Regards,
>> Mostafa
>> NU/MIT
>>
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>>
>
>
>
> --
> Mohammad Abu Raihan Miah
> PhD Student
> Department of Electrical and Computer Engineering (ECE)
> <http://www.ece.ucsd.edu/>
> University of California, San Diego <http://www.ucsd.edu/>
>



-- 
Mohammad Abu Raihan Miah
PhD Student
Department of Electrical and Computer Engineering (ECE)
<http://www.ece.ucsd.edu/>
University of California, San Diego <http://www.ucsd.edu/>
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