Hey Everyone,
I was running the epsilon calculation for K2SiF6 (fm3m 225).
I am getting this error : kgrid too large compared to unfolded nk.
I don't know how can I rectify this error. I have tried a couple of things one of them being I have tried using full kgrid i.e., avoid symmetry for WFNq and still the same error persists.
I have attached all relevant input files in this email.
I would really appreciate your assistance.
Best,
Uday Pratap Singh