[Pw_forum] Why does pw.x think that I have 76 k-points?

[Paolo Giannozzi]

On Apr 15, 2007, at 17:38 , Brad Malone wrote

> Even though my input file has only 64 k-pts, something about
> the way I'm specifying the other information makes pw.x believe
> that there are 76 k-points.  The only thing that I'm doing that's new
> compared to the last time I used pwSCF correctly is that I specified
> my lattice vectors by hand.

compare lattice vectors, atomic positions, symmetry operations
in the 'new' case with the 'last time'. There will be some discrepancy.
Notice that for hexagonal and trigonal lattices you should specify
"hexagonal " after CELL_PARAMETERS to get the correct
symmetries.

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy