My Community

Hello,

I want to get the optics matrix elements, so added the lines

LOPTICS = .TRUE.
NPAR = 1
in my INCAR file, but nothing happens. I was expecting a new file, but I didn't found any new file.

Anyone knows what's happen?

Regards

the data should be written on file 'OPTIC'
please check whether you have used PAW potentials ?(if not, LOPTICS is reset to .false.)

1) First, you have to run a SCF calculation (with ICHARG 1) to get an initial CHGCAR.

2) Then perform a non-selfconsistent calculation (changing ICHARG to 11 to read the prevously calculated CHGCAR) with LOPTICS=.TRUE. and NPAR=1

Ok, I was using US potentials.

Thanks for your help.