Fix an array bound mismatch.
All threads resolved!
All threads resolved!
Description
Fix an array bound mismatch.
In the case of k-point symmetries, together with a k-point path, the copy routine was leading to an array bound mismatch, as the arrays of the original grids are allocated to the number of points in the full Brillouin zone, and not to the irreducible one.
The range of the DOS was also computed taking into account k-points in the path, which is now solved.
News snippet
Fix an array bound mismatch. The range of the DOS is now independent of the k-points in the path.
Checklist
-
I have checked that my code follows the Octopus coding standards -
I have added tests for all the new features added in this request.
Edited by Nicolas Tancogne-Dejean
Merge request reports
Activity
changed milestone to %10.3
added Bugfix label
added 1 commit
- 3bacdd06 - Bugfix: The range of the DOS was computed taking into account k-points in the path.
- Resolved by Martin Lueders
added 1 commit
- 7269b202 - Bugfix: The range of the DOS was computed taking into account k-points in the path.
enabled an automatic merge when the pipeline for 7269b202 succeeds
mentioned in commit 4ceb3f17
assigned to @martin.lueders
Please register or sign in to reply