TB2J - TB2J Magnetic Interaction Parameter Calculator
Calculate magnetic interaction parameters from DFT outputs using command-line tools
Tags
Updated: 2026-02-14Capabilities
Typical Inputs
Typical Outputs
What this skill does
- run wann2J.py
- run siesta2J.py
- run abacus2J.py
- calculate J parameters
- calculate DMI parameters
- calculate anisotropy parameters
Inputs
- Wannier90 outputs
- Siesta outputs
- Abacus outputs
- DFT calculation results
- structure files
Outputs
- exchange.out files
- exchange.xml files
- Vampire interface files
- Multibinit interface files
Requirements
- DFT outputs available
- Wannier90 projections set
- Siesta SaveHS True setting
- Abacus out_mat_hs2 1 setting