[QE-users] electric field units

[Paolo Giannozzi]

I am quite confident that what is written in the documentation is correct,
but I have no evidence to support (or disprove) this

Paolo

On Wed, Dec 4, 2019 at 11:48 AM Giovanni Cantele <
giovanni.cantele at spin.cnr.it> wrote:

> Dear all,
>
> I would like just to have confirmation about the units used by QE for
> electric field within two different approaches:
>
> 1) sawtooth potential
> from the documentation I see Amplitude of the electric field, in
> ***Hartree*** a.u.;
> 1 a.u. = 51.4220632*10^10 V/m
>
> That means that 1 V / A = 1 / 51.4220632 = 0.019447 => eamp = 0.019447 in
> this example
>
>
> 2) ESM method with esm_bc = ‘bc2’
> from the documentation I read "magnitude of the electric field [Ry/a.u.]
> to be applied
> between semi-infinite ESM electrodes.”
>
> That means that 1 V / A = 2 / 51.4220632 = 0.038894
>
>
> So, if I want to test both methods, I should use in the former case a
> value of eamp, in the latter twice this value.
> Is it right?
>
> Thanks for support,
>
>     Giovanni
>
> --
>
> Giovanni Cantele, PhD
>
> CNR-SPIN
> c/o Dipartimento di Fisica
> Universita' di Napoli "Federico II"
> Complesso Universitario M. S. Angelo - Ed. 6
> Via Cintia, I-80126, Napoli, Italy
>
> e-mail: giovanni.cantele at spin.cnr.it <giovanni.cantele at spin.cnr.it>
>             gcantele at gmail.com
> Phone: +39 081 676910
> Skype contact: giocan74
> Web page: https://sites.google.com/view/giovanni-cantele
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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