Using shifted k-points grid with Abinit
Hi.
I was using Abinit as a calculator and wasn't able to set correctly the shiftk parameter.
According to the documentation it should be possible to include the Gamma point in the k-points sampling using the following syntax:
kpts=(n1,n2,n3,'gamma')
.
This wasn't working for an Abinit calculator, so I implemented a simple fix in a branch here. You can do as you wish with it. A full solution would let us use other values of kptopt and nshiftk (to use more than one grid), and maybe other points than gamma, but it's probably not necessary at the moment.
Thanks a lot!