[QE-users] Orthorhombic unit cell
sally issa
sally.issa1 at outlook.com
Thu Mar 9 18:03:20 CET 2023
Good morning all,
Is there anyone have worked with orthorhombic cell?
I want to define the unit cell for orthorhombic with 4 atoms:(0,y,1/4),(0,-y, 3/4), (1/2, y+1/2, 1/4) and (-1/2, -y+1/2, 3/4).
With wyckoff position (4c).
I don’t have idea how define y.
Do you have suggestions ?
Thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20230309/c71e8596/attachment.html>
More information about the users
mailing list