GW-RPA

[Stephan]

Hello,

In the puplication PHYSICAL REVIEW B 69, 155112 (2004) by Silvana Botti et al there is a runlevel mentioned called RPA-GW. They use it in order to calculate dielectric functions of different material.
It is said that in this runlevel is obtained by 'replacing KS eigenvalues with GW quasiparticle energys in the RPA form of chi'.
Is this approach also realized in yambo? Can you tell me how to do this?

Thanks and regards
Stephan

[Daniele Varsano]

Dear Stephan,
what you need to do is to insert QP correction in the RPA spectra. These can be done in different way.

Code: Select all

yambo -o c -k hartree -V qp

if you want to calculate RPA in G space or:

Code: Select all

yambo -o b -k hartree -V qp

if you want to calculate in transition space.

The QP correction can be inerted by reading a QP database:

Code: Select all

XfnQPdb="E < /SAVE/ndb.QP"

or via a scissor operator approximation if it applies:

%XfnQP_E

The X is substituted by K in the transition space input.

Best,
Daniele