Siesta use of system symmetry

Registered by Jose M Soler on 2016-05-26

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 on 2016-05-27

Sprints

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

(?)

Work Items

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