The ABINIT Users Mailing List ( CLOSED )

[Xavier Gonze <gonze@pcpm.ucl.ac.be>]

Dear Clovis,

Clovis Darrigan wrote:
> Dear Wu,
>
> Perhaps can I give you a little indication?
>
>     The nonlinear optics calculation has been implemented in the abinit
>     code. For semiconductors the second harmonic generation coefficient
>     varies greatly around their respective energy band gaps. But for
>     abinit, it gives out a single value, I wonder to know at what
>     frequency range, the second harmonic generation coefficient, or
>     chi(2) is, or all most, is a constant?
>
>
> I have not seen the formula of Sum Over States method in Abinit, but 
> normally, when you use the SOS, it's possible to plot all (non)linear 
> properties versus the frequencies of perturbing fields.

It is brand new in v4.4 .

Best regards,
Xavier