RPA paramters

[haseebphysics1]

Yes, I think, I have compressed a wrong file. Sorry about that!

But still

% LongDrXd
0.5774E-5 |0.5774E-5 |0.5774E-5 | # [Xd] [cc] Electric Field
%

is different than the input in which I defined it as follows:

% LongDrXd
1 |1 |1 | # [Xd] [cc] Electric Field
%

Is it due to the q=0?

Regards,

[Daniele Varsano]

Is it due to the q=0?

Yes, in input you give the direction, in the output you have also the modulus, it is exactly the same.
Daniele

[haseebphysics1]

Thanks sir.

[haseebphysics1]

Dear Daniele,

I want to manually apply (add energy along the x-axis) the sciccor operator to artificially increasing the bandgap in optical absorption. But does I also need to shift the energy axis when plotting the real part of the dielectric function? If so, then how I will deduce the high-frequency limit Real{epsilon(0)} since I will lose the value at zero energy, if I apply the shift?


Thanks,

[Daniele Varsano]

Dear Haseeb,
not sure I have understood your question.
If I have got correctly:
you can apply by input ( KfnQP_E for BS XfnQP_E in linear response) and plot the eps in the region of interest.
Alternatively, you can apply it by hand, and calculate the eps without scissor including negative energies.

Daniele