[Wien] Tetragonal lattice parameters optimization

Midhunlal Pv midhunlalpv3 at gmail.com
Wed Mar 15 10:58:27 CET 2017


Thanks for your valuable suggestion .I will try to utilize this package.
Any suggestion on the procedure i followed ?

Thanks in advance
Midhunlal.P.V

On 15 March 2017 at 15:15, Abderrahmane Reggad <jazairdz at gmail.com> wrote:

> Hello
>
> To optimize the tetragonal structure as for the hexagonal structure you
> can use the 2D-optimize package included in the wien2k code as in the
> following link:
>
> https://wien2k-algerien1970.blogspot.com/2016/09/
> optimization-of-hexagonal-and.html
>
> Good luck
>
> --
> Mr: A.Reggad
> Laboratoire de Génie Physique
> Université Ibn Khaldoun - Tiaret
> Adresse: BP 144 AL ATTAF AIN DEFLA
> Tel: +213(0)561861963
> Algerie
>
>
>
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