Dear Yambo developers
I would like to know if it is possible to calculate shift current with yambo_nl?
with best regards
Javad Exirifard
Shift current
Moderators: Davide Sangalli, claudio, myrta gruning
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javad
- Posts: 43
- Joined: Fri Feb 28, 2014 10:23 pm
Shift current
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
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claudio
- Posts: 500
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
- Contact:
Re: Shift current
Dear Javad
in principle it is possible to calculate shift current with Yambo_nl, as fas as I know some people are doing it in Belfast.
You have to turn on the flag EvalCurrent and then you have to post-process the current in the same way it is done for the polarization.
I advice you to modify yambopy to do it
best
Claudio
in principle it is possible to calculate shift current with Yambo_nl, as fas as I know some people are doing it in Belfast.
You have to turn on the flag EvalCurrent and then you have to post-process the current in the same way it is done for the polarization.
I advice you to modify yambopy to do it
best
Claudio
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
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com