If you use 1's the grid will be shifted by half its step, this makes the integrals of the grid convergence faster in some cases. On 8 Mar 2016 8:51 p.m., "Mofrad, Amir Mehdi (MU-Student)" < [email protected]> wrote:
> Dear all QE users and developers, > > > I have a question about the K_POINTS card in the input file. What is the > difference between using shifted (1 1 1) and unshifted (0 0 0)? > > > Best, > > > > Amir M. Mofrad > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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