If I use ISYM=-1, the number of KPOINTS is very large.
I prefer to use symmetry if it is possible.
Thanks.
Is it necessary to switch off the symmetry when using spin-orbit coupling?
Moderators: Global Moderator, Moderator
Is it necessary to switch off the symmetry when using spin-orbit coupling?
Last edited by xianghjun on Wed Dec 13, 2006 2:48 pm, edited 1 time in total.
-
- Administrator
- Posts: 2921
- Joined: Tue Aug 03, 2004 8:18 am
- License Nr.: 458
Is it necessary to switch off the symmetry when using spin-orbit coupling?
yes, of course it is necessary to switch all symmetry off
[ Edited Thu Dec 14 2006, 09:18AM ]
[ Edited Thu Dec 14 2006, 09:18AM ]
Last edited by admin on Thu Dec 14, 2006 8:17 am, edited 1 time in total.