Hi
I used yambo -o c for dielectric function, in the output, I found a lot of file o.esp, but i don't know, which file should be used to indicate interband transition?
thanks
dielectric function
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dielectric function
Fatima Ezzahra Ramadan
PhD student
LPHE-Simulation-Modeling,Université Mohammed 5 Agdal Rabat Morocco
f.ramadan88@gmail.com
PhD student
LPHE-Simulation-Modeling,Université Mohammed 5 Agdal Rabat Morocco
f.ramadan88@gmail.com
- Daniele Varsano
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Re: dielectric function
Dear Fatima,
you should have a number of o.eps* as many q points you asked in input. If you are interested in absorption you have to look at the q=0 which is the first one: o.eps_q1*. Idf you are not interested to the eps at finite q, you can set in input:
in this way only the q=0 will be calculated and your calculations will be Nq times faster.
Best.
Daniele
you should have a number of o.eps* as many q points you asked in input. If you are interested in absorption you have to look at the q=0 which is the first one: o.eps_q1*. Idf you are not interested to the eps at finite q, you can set in input:
Code: Select all
% QpntsRXp
1 | 1 | # [Xp] Transferred momenta
%
Best.
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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- Posts: 52
- Joined: Mon Oct 28, 2013 10:15 am
Re: dielectric function
Dr Danielen
i'm interesting to transtion interband, when I look juste at the q=0, i don't know what happened at the other points.
Thanks a lot for your help.
i'm interesting to transtion interband, when I look juste at the q=0, i don't know what happened at the other points.
Thanks a lot for your help.
Fatima Ezzahra Ramadan
PhD student
LPHE-Simulation-Modeling,Université Mohammed 5 Agdal Rabat Morocco
f.ramadan88@gmail.com
PhD student
LPHE-Simulation-Modeling,Université Mohammed 5 Agdal Rabat Morocco
f.ramadan88@gmail.com