Controlling omega resolution (frequency step size) in absorption spectra

[Byeongchan Lee]

Dear BerkeleyGW team,

I hope this message finds you well.

When performing absorption calculations, is there a way to directly control the omega (frequency) resolution of the dielectric function (i.e., the first column in absorption_eh.dat) so that I can set a specific step size (e.g., 0.001 eV)?

I’m aware of 'gaussian_broadening', and from what I can tell the 'energy_resolution' flag affects spectral broadening rather than the actual omega-grid spacing. 

At the moment I’m tuning the broadening to obtain a visually reasonable absorption spectrum, but I’d like to increase the omega resolution (e.g., 0.001 eV steps) if possible.

Is there another parameter or workflow to explicitly set the omega sampling interval (i.e., the frequency step size) aside from broadening?

Best regards,

Byeongchan Lee

[Byeongchan Lee]

Dear all,

I missed the `delta_frequency` flag. 

You can set the omega (frequency) grid spacing directly with it (e.g., delta_frequency 0.001). 

Sorry for the noise—hope this helps someone who runs into the same confusion.

Best,

Byeongchan Lee