Re: [ESPResSo-users] dipole moments

[Dudo]

Hi Eliya,

this is the topic of your thesis? ;-)

Are you on the right espresso forum, perhaps you are looking for quantum espresso?

D.

On Sat, Mar 21, 2015 at 7:35 PM, Eliya Asmani <address@hidden> wrote:

Dear Espresso users,

I want to calculate dipole moments of Kohn-Sham eigenvector (<φ_m|z|φ_n>).

Is it possible to do by Espresso code?

Any comment or suggestion is appreciated.
Best wishes

--

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Ing. Dusan Racko, PhD

https://www.researchgate.net/profile/Dusan_Racko
Polymer Institute of the Slovak Academy of Sciences
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