[Pw_forum] larger k mesh

[Paolo Giannozzi]

On Apr 4, 2007, at 16:48 , Amit Kumar wrote:

> Where I  have to increase K-points ---- in
>
>  al.scf.in or  al.nscf2.in or in both input files??????

typically, in the latter, since the calculation of the double-delta
integral exhibits the slowest convergence, and this depends
upon the k-point grid of the latter calculation

> For new version,     in
>
>  al.scf.fit.in   or    al.scf.in or   in both input files??????

in this case, in the former

Please do not post html-formatted mail: they look like crap.

P.
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Paolo Giannozzi, Democritos and University of Udine, Italy