ABINIT Discussion Forums

Can I do the non-linear response calculation with GGA.
When I was using the ixc = 11 and GGA.FHI pseudopotential files, There was error.

ERROR -
The value of ixc is found to be 11
When you prepare a non-linear response calculation (prepanl=1),
you should use ixc = 3 or ixc = 7.

Yeah, I see that but don't know why. But I think as long as LDA produces a similar band structure, it will give similarly good optical response, too.