TB2J
Installation
SKILL.md
TB2J Skill
This skill provides expert guidance on using the TB2J package to calculate magnetic interaction parameters (Heisenberg exchange $J$, DMI $D$, Anisotropy $J_{ani}$) from DFT inputs.
References
- Command Reference: Detailed flags and arguments for all scripts (
wann2J.py,siesta2J.py, etc.). - Workflows & DFT Prep: Step-by-step guides for preparing VASP/Wannier90/Siesta inputs.
- Conventions: Vital information on Hamiltonian signs, units, and spin normalization.
- Outputs: Explanations of
exchange.out,exchange.xml, and interfaces to Vampire/Multibinit.
Common Workflows
1. Wannier90 (VASP, QE, Abinit)
- Command:
wann2J.py - Key Step: Ensure
projectionsin.winfile cover magnetic orbitals. - See: Workflows > Wannier90