Page 3 of 3

Re: on RPA for metallic systems

Posted: Wed Oct 11, 2023 4:58 pm
by Daniele Varsano
Dear Fadil,

EhEngyXd select the transitions in a range of energies defined as E_empty-E_occupied. Maybe it can be used to select intra or inter band transitions, but this actually depends on the band structure, ie if such transitions are sufficiently separated in energy.

Best,
Daniele

Re: on RPA for metallic systems

Posted: Mon Sep 02, 2024 12:27 pm
by HaozheLi
Dear Daniele,

I want to use yambo to get the screened Coulomb interaction matrix W for a 3D metallic material from RPA calculation.
I used "yambo -F RPA.in -V RL -o c -k hartree" to generate the input file for RPA calculation, but there had no dielectric function matrix in the SAVE folder. How can I obtain this?
As far as I known, only static and dynamic calculation with "-X" would produce dielectric function matrix em1s/em1d, am I right?

Could you give me some advice?

Best,
Haozhe

Re: on RPA for metallic systems

Posted: Tue Sep 03, 2024 12:58 pm
by Daniele Varsano
Dear Haozhe,

you can calculate both static and dynamic dielectric matrix.
You need to generate the input file using :

> yambo -X s #for static screening
> yambo -X d # for dynamical screening

You will have a different database for each q point you select in the input file.

Best,

Daniele