[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20170315/9dc39bbe/attachment.html>
More information about the Wien
mailing list