Band unfolding for arbitrary systems
Registered by
Daniel Sanchez-Portal
Band unfolding will be performed as a post-processing tool for SIESTA. However, for general systems that do not comply with the restrictions mentioned in the blue print "unfolding1", specific outputs must be generated by SIESTA (this output requires an a priori knowledge of the translations corresponding to the approximate periodicity within the supercell, that should be specified in the input of SIESTA to generate a set of associated overlap matrices between displaced/
Blueprint information
- Status:
- Started
- Approver:
- None
- Priority:
- Undefined
- Drafter:
- Daniel Sanchez-Portal
- Direction:
- Needs approval
- Assignee:
- Daniel Sanchez-Portal
- Definition:
- New
- Series goal:
- None
- Implementation:
- Started
- Milestone target:
- None
- Started by
- Daniel Sanchez-Portal
- Completed by
Whiteboard
(?)