The macroscopic component of dielectric matrix

[clin]

Dear developers,

I want to know the value of the long-wavelength component of static inverse dielectric matrix, i.e. epsilon^-1(q=0, w=0, G=0, G'=0). I performed the static screening calculation with Yambo using RPA and obtained a database ndb.em1s_fragment_*. Since the q=0 is the first point, then I used the tool ncdump to convert ndb.em1s_fragment_1 into a human-readable file. In this file, I can only find a tensor variable named X_Q_1. If I understand correctly from the variable name, this seems the polarizability \chi_0 obtained at the independent particle approximation. How can I directly output the inverse dielectric matrix from Yambo or it's already given in certain file?

A following-up question is: does the inverse of epsilon^-1(q=0, w=0, G=0, G'=0) correspond to the ion-clamped dielectric constants of the material in some way?

Thanks,
Changpeng

[Daniele Varsano]

Dear Changpeng,

the inverse macroscopic dielectric function can be extracted by using the yambopy platform as indicated in this tutorial:
https://wiki.yambo-code.eu/wiki/index.p ... _databases

Yes, it contains electron only contribution.

Best,
Daniele