The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

On 08 May 2007, at 17:42, George Pau wrote:

> Hi,
>
> I would like to do multiple k-points calculations using a fixed set of
> planewaves, i.e. the whole of the fft grid, say, instead of using
> criteria based on ecut.  It was suggested that I use iboxcut set to 1.
> However, I am still getting different set of planewaves for different
> k-points.    Does anyone have any suggestion?
>
> Thanks,
> George

Dear George,

I think you have to hack the routine kpgsph.F90 :
suppress the occurences of kpt in the body of the routine, and  
recompile .

Good luck,
Xavier