[Pw_forum] Bug in k-point generation

[Claudio Attaccalite]

Dear pw_forum

I report you this  bug in espresso-4.0.1 (also in the previous versions)

in the case ibrav=7, I think the kpoints generated in automatic way are wrong.

I report a simple case, using a grid 2x2x1

without symmetries I obtain:
                      cryst. coord.
       k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.5000000
       k(    2) = (   0.0000000  -0.5000000   0.0000000), wk =   0.5000000
       k(    3) = (  -0.5000000   0.0000000   0.0000000), wk =   0.5000000
       k(    4) = (  -0.5000000  -0.5000000   0.0000000), wk =   0.5000000


while with symmetries I got one more k-point:

                      cryst. coord.
       k(    1) = (   0.0000000   0.0000000   0.0000000), wk =   0.5000000
       k(    2) = (   0.0000000  -0.5000000   0.0000000), wk =   0.5000000
       k(    3) = (  -0.5000000   0.0000000   0.0000000), wk =   0.5000000
       k(    4) = (   0.0000000   0.0000000   0.5000000), wk =   0.2500000
       k(    5) = (   0.5000000   0.5000000   0.0000000), wk =   0.2500000

the grid are equivalent because the weight is 0.25 but the symmetries
are used in a wrong way,
the same happen also with larger grid of k-points.

Ciao
cla

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Claudio Attaccalite
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