TBPLaS
1.6
Contents
About
Install
Tutorials
Background
PrimitiveCell
Set up the primitive cell
Band structure and DOS
Build complex primitive cells
Slater-Koster formulation
Spin-orbital coupling
Interfaces
Parameters fitting
Response functions
Z2 topological invariant
Spin texture
Sample
Advanced
API Reference
Release Notes
Contact
Developers
Publications
TBPLaS
Tutorials
PrimitiveCell
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PrimitiveCell
Contents
Set up the primitive cell
Geometric properties
Create empty cell
Add orbitals
Add hopping terms
Dump the model
Band structure and DOS
Build complex primitive cells
Construct graphene nano-ribbon
Remove orbitals and hopping terms
Slater-Koster formulation
Create cell and add orbitals
Find and add hopping terms
Check the results
Spin-orbital coupling
Create cell without SOC
Add SOC
Check the results
Interfaces
Wannier90
LAMMPS
Parameters fitting
Auxialiary functions and classes
Fitting the paramaters
Response functions
Create a Lindhard object
Dynamic polarization
Dielectric function
AC conductivity
Notes on system dimension
Z2 topological invariant
Auxialiary functions
Evaluation of Z2
Spin texture
Evaluation of spin texture
Orbital order