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 < [email protected]> 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 <[email protected]> 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 >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > 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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