[Pw_forum] Monkhorst Pack k points

[Xunlei Ding]

Gamma is included in (6 6 1, 0 0 0) or (5 5 1, 0 0 0).
And no Gamma point is in (6 6 1, 1 1 0) because (1 1 0) means there are 
shifts in the first and second directions.


Cyrille Barreteau wrote:

> Dear Pwscf users,
>
> I am doing surface calculations with pw.x and I have a very simple
> question concerning the automatic kpoints. I am generating the k points
> by the following input:
>
> K_POINTS automatic
> n1 n2  1 0 0 0
>
> According to the manuel the code is using MP k points but I am a bit 
> surprised to find that
> the Gamma= 0,0,0  point is always present in the k points list 
> whatever the
> parity of the integers n1 and n2. I was expecting to get the Gamma 
> point only
> when n1 and n2 are odd numbers (for example n1=n2=25).
> But I also get the Gamma point when n1 and and n2 are even .
>
> Is the code really using MP k points or another scheme?
>
> cyrille