-
Check open or closed shell for each system (closed shell recommended for QMC)
-
Lattices
- 1D
- Chain: E(k) = -2cos(k)
- 2D
- Square: E(kx,ky) = -2(cos(kx)+cos(ky))
- Triangular: E(kx,ky) = -2(cos(kx)+cos(ky)+cos(kx+ky))
- Honeycomb: E_{1,2}(kx,ky) = \pm |1 + exp(-i kx) + exp(-i ky)|
- Kagome: E_{1,2,3}(kx,ky) = 2, -1 \pm \sqrt(1 + 8 cos(kx/2) cos(ky/2) cos((kx-ky)/2))
- 1D
-
Boundary
- 1D
- Periodic (P)
- Antiperiodic (AP)
- 2D
- P-P
- P-AP
- AP-P
- AP-AP
- 1D
-
In data files,
- "Energy density" = E/Nsite/Nspin
- "Number of electrons" = number of up spins = number of down spins
-
Results (DOS)
-
References
-
Notifications
You must be signed in to change notification settings - Fork 1
License
ryuikaneko/tight_binding_shell_condition
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
No description or website provided.
Topics
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published