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

[Stefano de Gironcoli]

The number of k points is determined by the symmetry and the presence of a finite dipole reduces the symmetry of your cell.

stefano 
(sent from my phone)

> On 19 Nov 2014, at 09:59, Pooja Dhorge <dhorgepooja at gmail.com> 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.
> <with-dipole.in>
> <without-dipole.in>
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