excitonic eliashberg in yambo 5

Anything regarding the post-processing utility (e.g. excitonic wavefunction analysis) is dealt with in this forum.

Moderators: Davide Sangalli, andrea marini, Daniele Varsano

Post Reply
sitangshu
Posts: 133
Joined: Thu Jan 05, 2017 8:08 am

excitonic eliashberg in yambo 5

Post by sitangshu » Mon Aug 23, 2021 5:11 am

Hi folks,

I have some folders arranged as:
>output : containing all ndb.BS files from coupling diagonalization
>SAVE: containing the usual fragmented files
>qp-0K: containing all the ndb.elph_gFsq* files
The degenerate excitonic states are indexed at 901-902. How should I obtain the excitonic eliashberg from these files?

Regards,
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

User avatar
claudio
Posts: 361
Joined: Tue Mar 31, 2009 11:33 pm
Contact:

Re: excitonic eliashberg in yambo 5

Post by claudio » Fri Aug 27, 2021 2:40 pm

Dear Sitangshu

in order to obtain the excitonic eliashberg functions, you run

ypp_ph -e e

and then in the input you can specify the states you are interested in, for example:

Code: Select all

 excitons                         # [R] Excitonic properties
 eliashberg                       # [R] Eliashberg
 States= "901 - 902"                  # Index of the BS state(s) 
 BSQindex= 1                      # Q-Index of the BS state(s)
 Degen_Step= 0.010000       eV    # Maximum energy separation of two degenerate states
 PhBroad= 0.010000          eV    # Phonon broadening (Eliashberg & DOS)
 PhStps= 200                      # Energy steps
best
Claudio

ps when you run the BSE do not forget to uncomment the flag: WRbsWF
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

sitangshu
Posts: 133
Joined: Thu Jan 05, 2017 8:08 am

Re: excitonic eliashberg in yambo 5

Post by sitangshu » Mon Aug 30, 2021 7:02 am

Thanks Professor Claudio.

Regards,
Sitangshu
Sitangshu Bhattacharya
Indian Institute of Information Technology-Allahabad
India
Web-page: http://profile.iiita.ac.in/sitangshu/
Institute: http://www.iiita.ac.in/

Post Reply