[Pw_forum] dipole flag changes the number of k-points

[Thomas Brumme]

Dear Pooja,

setting tefield=.true. disables all symmetries. Have a look at 
PW/src/input.f90, line 455 (version 5.1).
I think that you can also disable this, however, you have to be careful 
that the code does not use any
symmetry which includes the z axis (or your efield direction).

Cheerio

Thomas


On 11/19/2014 09:59 AM, Pooja Dhorge wrote:
> Dear all,
>
>        We are doing surface calculations using dipole correction.
> The system under consideration is Cu(111) plane and we have considered 
> 4 atomic layers. I am attaching the input files with this mail.
>
> I have noticed that, for 3x3x1 unshifted k-point mesh, I get 3 
> k-points with no dipole correction and 5 k-points with dipole correction.
>
> I am unable to understand how dipole flag changes the number of 
> k-points. Could you please shade some light on this?
>
> Thanks,
> Pooja
>
> Project Assistant,
> Physical and Materials Chemistry Division,
> CSIR-National Chemical Laboratory,
> Pune, India.
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris

Tel:  +33 (0) 1 442 77204

email: Thomas.Brumme at impmc.upmc.fr

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