Page 1 of 1
dielectric function
Posted: Mon Dec 16, 2013 2:56 am
by fatimazahra
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
Re: dielectric function
Posted: Mon Dec 16, 2013 11:00 am
by Daniele Varsano
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:
Code: Select all
% QpntsRXp
1 | 1 | # [Xp] Transferred momenta
%
in this way only the q=0 will be calculated and your calculations will be Nq times faster.
Best.
Daniele
Re: dielectric function
Posted: Wed Dec 18, 2013 3:08 pm
by fatimazahra
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.