[Wien] Query about Kgen for tetragonal system

Nacir GUECHI guechiphy at yahoo.fr
Tue Jul 17 15:38:49 CEST 2018


I opened the struct file with Xcrysden and I found that the primitive cell has a=b=c. Now, I am convinced for 10x10x10 k-points. 
Thank you very much for your reply.

******************************************************
Nacir GUECHI
Dr. Physique de la matière solide.Enseignant-Chercheur à l'université du Dr. Yahia FARES de Médéa,  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/ 

    Le mardi 17 juillet 2018 à 14:19:02 UTC+1, tran at theochem.tuwien.ac.at <tran at theochem.tuwien.ac.at> a écrit :  
 
 Hi,

kgen generates the k-points for the primitive cell, which has a=b=c
in your case (open your struct file with xcrysden and press F3 to
see the primitive cell).

F. Tran

> thank you for reply.
> my query is: why the same number 10 in the plane and out-plane?
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180717/2c459774/attachment.html>


More information about the Wien mailing list