Nudged elastic band and similar methods
Registered by
Jose M Soler
Implement the nudged elastic band, the string method, and the acceleration method for barrier finding
Do it in parallel, using the siesta-
Blueprint information
- Status:
- Not started
- Approver:
- None
- Priority:
- Undefined
- Drafter:
- Jose M Soler
- Direction:
- Needs approval
- Assignee:
- Jose M Soler
- Definition:
- New
- Series goal:
- Proposed for trunk
- Implementation:
-
Not started
- Milestone target:
- None
- Started by
- Completed by
Whiteboard
I have recently implemented the NEB calculator (as done in VASP with the vtst tools) using the Lua hook. If this has any interest please let me know. (Nick Papior)
(?)
