[Pw_forum] Calculation of transition dipole moment

[Jia Chen]

Hi Huy Pham,

Another option is to use epsilon.x. You can simply modify the epsilon.f90
and print dipole(3, nbnd, nbnd)

Cheers

On Tue, Feb 14, 2017 at 7:19 PM, Huy Pham <pchuy1906 at gmail.com> wrote:

> Dear QE users,
>
> I want to calculate the transition dipole moment between conduction and
> valence bands for an isolated molecule using QE. I searched the forum but
> didn't find much information.
> Can anyone give me some suggestions?
>
> Thanks,
> Huy
>
> --
> Huy Pham, PhD
> Postdoctoral Researcher
> Department of Chemistry and Biochemistry
> University of California, San Diego
> 9500 Gilman Drive
> Urey Hall 4205
> La Jolla, CA 92093
> E-mail:
> pchuy1906 at gmail.com
>
>
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