Kgrid too large

31 views
Skip to first unread message

Uday Pratap SIngh Kushwah

unread,
Feb 18, 2025, 4:39:54 AMFeb 18
to BerkeleyGW Help
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
kgrid_wfnq.inp
epsilon.inp
kgrid.out
bands_wfnq.in
bands.in
kgrid_wfnq.out
kgrid.inp
Reply all
Reply to author
Forward
0 new messages