TB2J
stable
Contents:
Installation
Conventions of Heisenberg Model
Tutorial
Use TB2J with Wannier90
Use TB2J with Siesta
Use TB2J with OpenMX
Parameters in calculation of magnetic interaction parameters
Averaging multiple parameters
The ligand spin problem: downfolding the Heisenberg Hamiltonian
Decompose the exchange into orbital contributions.
The output of TB2J
Applications
Extending TB2J
Frequently asked questions.
Contributors
References
Release Notes
TB2J
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Tutorial
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Tutorial
ΒΆ
Contents:
Use TB2J with Wannier90
Step 0: Find the orbitals and energy range to be used in the Wannier Function Hamiltonian.
Step 1: Construct WF Hamiltonian from DFT.
Step 2: Run TB2J
Noncollinear calculation
Use TB2J with Siesta
Collinear calculation without SOC
Non-collinear calculation
Use TB2J with OpenMX
Install TB2J-OpenMX
running TB2J
Parameters in calculation of magnetic interaction parameters
List of parameters:
Averaging multiple parameters
The ligand spin problem: downfolding the Heisenberg Hamiltonian
Usage:
Decompose the exchange into orbital contributions.
The output of TB2J
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