How to get zero frequency second-order optical coefficient

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

Moderators: mverstra, joaocarloscabreu

Locked
mazuju
Posts: 15
Joined: Wed Jul 14, 2010 2:05 am

How to get zero frequency second-order optical coefficient

Post by mazuju » Wed Nov 17, 2010 2:59 am

Dear colleagues

Is there anyone who have used Abinit to compute nonlinear optical properties, especially second harmonic generation?
I have two questions.
1, In the Optic output files, I can only find the smallest frequency nonlinear optical coefficients but not the zero frequency. How to get zero frequency second-order nonlinear optical coefficients ?
ScreenClip.png

2,How to handle incorrect band-gap problem if I don't kown the experimental band-gap ?

Best regards,
j Ma
Top
denny
Posts: 3
Joined: Mon Sep 27, 2010 4:47 am

Re: How to get zero frequency second-order optical coeffici

Post by denny » Fri Nov 19, 2010 4:53 am

reply question 2：using the GW calculation to estimate the true band gap.
Top
mazuju
Posts: 15
Joined: Wed Jul 14, 2010 2:05 am

Re: How to get zero frequency second-order optical coeffici

Post by mazuju » Sun Nov 21, 2010 9:33 am

denny wrote:reply question 2：using the GW calculation to estimate the true band gap.


Thank you for your advice.
Top
Locked

Return to “Response calculations”