[Pw_forum] automatic k-point generation

[Vikan Manmathan]

Dear QE users,

I have a question regarding automatic k-point generation.
In input file description, it is mentioned that it uses Monkhorst-Pack
method
to generate the k-point grid for the flag automatic.
Odd number grid let say 3x3x3, has the gamma point, but even number
grid let say 2x2x2 will not have gamma point, so shifting the grid will
give the gamma point.
But I got something different, when I used this grids.
I got the expected points in odd grid, but in case of even grid
the unshifted grid itself gives gamma point, which I expected for the
shifted grid.
My question is "Is the code is written such a way that the grid to have the
gamma point for all
cases by default? or I understood something wrong".
Suggestions are strongly appreciated.

Regards,
Nandha kumar V.


-- 
*NANDHA KUMAR V.*
Research scholar,
IISER, PUNE.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140110/92d45cf8/attachment.html>