Data and scripts for 2D Orbital Altermagnetism

This repository contains the input and output files, Wannier90 settings, and post-processing scripts used in the first-principles and tight-binding calculations presented in the paper “Orbital Altermagnetism”. The dataset includes: CrO, CuBr₂, MoO, and VS₂ folders — each containing VASP input/output files (POSCAR, INCAR, KPOINTS, POTCAR, CHG, CHGCAR) and the corresponding wannier90.win files defining the projection orbitals used for Wannierization. nonlinear_response folder — contains the Julia module amo.jl, which extends the HopTB package to compute intrinsic nonlinear spin and orbital magnetization responses. Example scripts and input files for MoO are included to illustrate the workflow. MoO_ACA folder — contains the scripts used to evaluate the orbital angular momentum of MoO within the atom-centered approximation (ACA), together with the corresponding Wannier tight-binding files, including the MoO hr.dat and tb.dat files. This folder is added to facilitate direct verification and reproducibility of the ACA results reported in the revised Supplemental Material, as well as the comparison between the ACA and the modern-theory evaluation of orbital angular momentum. Together, these files enable reproduction of the band-structure calculations, the nonlinear current-induced orbital/spin magnetization results, and the ACA analysis of orbital angular momentum for MoO presented in the paper.All Hamiltonians are symmetrized before evaluation, and both Fermi-surface and Fermi-sea contributions are included. For more details, please refer to the README files within each directory.