writing \chi_0(q, G=G'=0) and rho(q, G=0)

Deals with issues related to computation of optical spectra, in RPA (-o c) or by solving the Bethe-Salpeter equation (-o b). Includes local field effects, excitons, etc.

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writing \chi_0(q, G=G'=0) and rho(q, G=0)

Postby sky-zhou » Thu Nov 22, 2018 3:55 pm

Dear Yamboo developer,

I want to write the independent-particle response function at G=G'=0, i.e., \chi_0(q, G=G'=0), and the oscillator strength rho defined as rho(q)=<k1,b1|e^{- iqr}| k2, b2>. Could you please how can I find them? I am a new Yambo user. I found in routine "vi src/wf_and_fft/scatter_Bamp.F" rho is difined as "rhotw(G)=<ib ik_is i_sp| e^[I(RsG-G0).r] | ob ok_os o_sp>", thus I would like to print ib, ik_is, , ob, ok_os, rhotw(G=0).
Thank you very much in advance!

Cheers,

Sky
Jianqiang Sky ZHOU
Institut des NanoSciences de Paris (INSP)
European Theoretical Spectroscopy Facility
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Re: writing \chi_0(q, G=G'=0) and rho(q, G=0)

Postby claudio » Fri Nov 23, 2018 9:34 am

Dear Sky

dipole matrix elements are calculated in

src/pol_function/DIPOLE_driver.F

while the dielectric constant is constructed in

src/pol_function/X_irredux.F

best
claudio
Claudio Attaccalite
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
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