ABINIT Discussion Forums

If you use kptopt 0, you then input nkpt, kpt, kptnrm, and wtk to specify exactly the k points you want (see the input variable documentation). However, are you sure this is really what you want to do? It might be better to run a GS calc on a grid, so you have an accurate computation of the density...

Hello! I am using ABINIT for electronic band structure calculation now. As Abinit is using Monkhost-Pack grid (M-P grid) method, which saves much time. But I want to get a full calculation of electronic band structure only considering high symmetry without considering those special k-points. In that...

Hello! I am using ABINIT for electronic band structure calculation now. As Abinit is using Monkhost-Pack grid (M-P grid) method, which saves much time. But I want to get a full calculation of electronic band structure only considering high symmetry without considering those special k-points. In that...