EDRIXS is an open source toolkit for simulating XAS and RIXS spectra based on exact diagonalization of model Hamiltonians. It was started as part of COMSCOPE project in the Center for Computational Material Spectroscopy and Design, Brookhaven National Laboratory and is now maintained and developed in collaboration between the Condensed Matter Physics and Materials Science Division and the National Syncrotron Light Source II.
Free software: GNU General Public License Version 3
Documentation: https://edrixs.github.io/edrixs.
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Features
ED solver
XAS spectra
RIXS spectra
How to cite
If you are using the EDRIXS code to do some studies and would like to publish your great works, it would be really appreciated if you can cite the following paper:
EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering, Y.L. Wang, G. Fabbris, M.P.M. Dean and G. Kotliar, Computer Physics Communications,243, 151 (2019), arXiv:1812.05735.
Usage
For Linux and macOS, we recommend installing the released edrixs package with Mamba in a separate environment:
mamba create --name edrixs_env -c conda-forge --strict-channel-priority \ edrixs matplotlib conda activate edrixs_env
For Windows, we recommend Docker. See https://edrixs.github.io/edrixs for the complete installation, verification, requirements, and Docker instructions.
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