I suggest NOT using -in1new with MSR1a.
On Apr 2, 2016 06:01, "Nacir GUECHI" <guechi...@yahoo.fr> wrote:

> Dear wien users.
> is the switch "-in1new 3 -in1orig" sufficient to do
> optimization+relaxation?
> or, we use only the switch -in1new3; and after 3 cycles we change
> the energy increment from its value 0.000 to 0.001 for semi-core states?
>
> with best regards.
>
>
> ******************************************************* Nacir GUECHI *
> *Docteur en Physique du solide.*
> *Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa
> <http://www.univ-medea.dz/fr/>,  Algeria (www.univ-media.dz).*
> *Laboratoire d'études des surfaces et interfaces des matériaux solides
> (L.E.S.I.M.S), université Sétif1 (Algeria)*
> *http://laboratoires.univ-setif.dz/L.E.S.I.M.S/
> <http://laboratoires.univ-setif.dz/L.E.S.I.M.S/>*
>
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