ABINIT Discussion Forums

Dear all, I want to generate UKN files for Wannier90, but for particular high-symmetry points, rather than a grid or a path in the BZ. The problem is that I am not sure how kptopt should be set in .in file for that. I have tried setting kptopt=0 and giving with kpt the k-points for which I want the ...

Dear all, I have a problem with the W90 interface. I want to generate UKN files for particular k-points, rather than for a grid of the BZ or along a path. For that, I set kptopt=0, but Abinit stops. I write the log, .out and .in file at the end of this message. Which is the reason of the error? How ...

Dear all, I am trying to generate the UNK files for wannier90, by means of Abinit's interface to it. Precisely, what I want are the UNK files for particular high-symmetry points in the BZ, not in a grid of the BZ or along a path. For that, I try to use kptopt=0, but Abinit stops. I write the lines o...