[Q-e-developers] ESM local forces

[Paolo Giannozzi]

Hi, I inquired with Minoru and he agrees that there is no reason to call
"setlocal" at the end of force calculation

Paolo

On Wed, Nov 1, 2017 at 9:47 AM, Anton Kozhevnikov <a.v.kozhevnikov at gmail.com
> wrote:

> Dear QE developers!
> Is there a special reason to call setlocal (update of local potential)
> from esm_force_lc_ (esm.f90) routines, which compute ESM correction to
> local forces? It seems that two routines are completely independent.
>
> With best regards,
> Anton.
>
>
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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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