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 <[email protected]> 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: > [email protected] > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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