ABINIT Discussion Forums

Following previous post (http://forum.abinit.org/viewtopic.php?f=8&t=1803) I wanted to do a 6x6x6 Monkhorst-Pack in this kind of spinel systems but I am not pretty sure of how to do it, I leave here the options:
1) ngkpt 6 6 6
2) Instead of
kptrlatt 4 4 -4
-4 4 -4
-4 4 4
using
kptrlatt 6 6 -6
-6 6 -6
-6 6 6
3) None of the above, other to specify by yours help

Can anyone help me?

Your third option, kptrlatt 6 6 -6
-6 6 -6
-6 6 6
would be coherent with an FCC cell. If you're ever in doubt you should do a run with

kptopt 1
prtkpt 1
kptrlen 60 (or some other suitably large value)

and abinit will print out choices for kptrlatt and shiftk that are consistent with your input structure.

Thanks for the tip!