ABINIT Discussion Forums

Hi all:
It is well known that calculation of GW correction we need uniform k point grid. I try to calculate GW for tri-graphene. I used kptopt 1, ngkpt 4 4 1 and 6 6 2 etc in ABINIT calculation for KSS. No matter what I used for ngkpt I cannot get uniform k point grid. Is there any way we can create the uniform k point grid?

Thanks

Zhifan Chen
Clark Atlanta University
USA

ngkpt creates a uniform grid & then applies symmetry operations.
if u look at the kpt list, it wont look 'uniform'. lots of k-points would have been removed due to symmetry.

Hi all:
The error message is "2 equivalent points in the rlu grid found". This caused the X grid is not uniform.
This error message is running yambo software. I do not understand the reason. Can anyone give me a hint.


Thanks

Zhifan Chen
Clark Atlanta University
USA