Siesta use of system symmetry
Registered by
Jose M Soler
Symmetry module for identification of system symmetry operations
Symmetrization of forces
Symmetrization of density matrix and reduction of k points
Blueprint information
- Status:
- Started
- Approver:
- None
- Priority:
- Medium
- Drafter:
- Jose M Soler
- Direction:
- Needs approval
- Assignee:
- Jose M Soler
- Definition:
- New
- Series goal:
- Proposed for trunk
- Implementation:
-
Started
- Milestone target:
- None
- Started by
- Jose M Soler
- Completed by
Whiteboard
Symmetry identification working for molecules, bulk solids, and 2D-periodic slabs.
Some reamining problems for 1D polymers.
Force symmetrization also working.
Implementation of density matrix symmetrization not started
(?)
