TB2J
CommunityTB2J: derive magnetic interactions from DFT.
Authormailhexu
Version1.0.0
Installs0
System Documentation
What problem does it solve?
TB2J provides expert guidance on converting DFT outputs into magnetic interaction parameters (J, DMI, and anisotropy) using its CLI tools for Wannier90, Siesta, and Abacus. It helps researchers design, configure, and interpret TB2J workflows without ambiguity.
Core Features & Use Cases
- Step-by-step command references for wann2J.py, siesta2J.py, abacus2J.py and the associated workflows to extract exchange parameters.
- Workflows for preparing DFT inputs (Wannier90, Siesta, Abacus) and generating outputs like exchange.xml and transformed inputs for external codes (Multibinit, Vampire).
- Common use cases include mapping a DFT Hamiltonian to a Heisenberg model (J, DMI, Jani) and enabling spin-dynamics simulations.
Quick Start
Run TB2J with your Wannier90-based outputs to compute J, DMI, and anisotropic exchanges from a collinear or non-collinear DFT calculation.
Dependency Matrix
Required Modules
None requiredComponents
references
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: TB2J Download link: https://github.com/mailhexu/TB2J/archive/main.zip#tb2j Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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