[Wien] Tetragonal lattice parameters optimization

Abderrahmane Reggad jazairdz at gmail.com
Wed Mar 15 10:45:02 CET 2017


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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