Profile

Pacome
Topics Started
2
 Replies Created
1
 Favorites
0
 Subscriptions
2
Questions or bug reports > The summation of all projectors times spin degeneracy is not equal to num_wann
2021-12-10 22:09:41
Dear WT users and experts, I am trying to calculate surface states on the 001 surface of SrSi2 but WannierTools keep crashing and generating the following error messages: sum(Origin_cell%nprojs), num_wann, num_wann/2 28                            79                 39 ERROR:... Read more
Questions or bug reports > The summation of all projectors times spin degeneracy is not equal to num_wann
2021-12-10 10:33:38
Dear WT users and experts, I am trying to calculate surface states on the 001 surface of SrSi2 but WannierTools keep crashing and generating the following error messages: sum(Origin_cell%nprojs), num_wann, num_wann/2 28 79 39 ERROR: Maybe the SOC tags in the SYSTEM is wrongly set Note: The followi... Read more
Questions or bug reports > The summation of all projectors times spin degeneracy is not equal to num_wann
2021-12-13 21:43:26
Hi Brook, I modified the projectors part as follows PROJECTORS 9 9 9 9 4 4 4 4 4 4 4 4       ! number of projectors Sr s, pz, px, py, dz2, dxz, dyz, dx2-y2, dxy Sr s, pz, px, py, dz2, dxz, dyz, dx2-y2, dxy Sr s, pz, px, py, dz2, dxz, dyz, dx2-y2, dxy Sr s, pz, px, py, dz2, dxz, dyz, dx2-y2, dx... Read more

No favorites to show.

Questions or bug reports > The summation of all projectors times spin degeneracy is not equal to num_wann
2021-12-10 10:33:38
Questions or bug reports > The summation of all projectors times spin degeneracy is not equal to num_wann
2021-12-10 22:09:41
Visiting: 64,812 views