[Pw_forum] number of k-points

Eliya Asmani eliya6191 at gmail.com
Sat Apr 30 14:08:39 CEST 2016


Dear Developers and Users,

I work on clusters (no periodic system). I want to calculate wave function
at gamma and  gamma+q that q is very small. For gamma, it is OK. But for
gamma+q (for example q=0.05 in the x direction), I set  K_POINTS card  like
this

K_POINTS crystal
1
0.05 0.0 0.0  1

It is so strange that the number of k-points change to 3, while it isn't my
favourite.

In the output file it was written:

number of k points=     3
                       cart. coord. in units 2pi/alat
        k(    1) = (   0.0500000   0.0000000   0.0000000), wk =   0.6666667
        k(    2) = (   0.0000000   0.0500000   0.0000000), wk =   0.6666667
        k(    3) = (   0.0000000   0.0000000   0.0500000), wk =   0.6666667

Any comment is really appreciated.

Eliya
Posdoc, IPM, Tehran, Iran
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