EDIpack: a generic and interoperable Lanczos-based exact diagonalization solver for Quantum Impurity problems

This is the latest version of EDIpack: a Lanczos based method for the solution of generic Quantum Impurity problems, exploiting distributed memory MPI parallelisation. This version, aims to solve single-site, multi-orbital models, in either normal, superconducting (s-wave) or Spin-non-conserving (e.g. with Spin-Orbit Coupling or in-plane magnetization) phases, including electron-phonons coupling. The code works at zero and low temperatures.
See the EDIpack associated publications

Install

EDIpack is available in the form of a static Fortran library (libedipack.a) and the related Fortran module EDIPACK. The release version includes additional modules to extend the software functionalities: i) an inequivalent impurities extension Edipack2ineq and ii) a shared dynamical library edipack_cbindings.so implementing the Fortran-C interface.

A standard installation from source is available through CMake, via the standard out-of-source method.

An alternative approach is provided via Anaconda.

Detailed information can be found at edipack.github.io/EDIpack/installation

Documentation

All the informations about the structure of the library and its use can be found in the documenation at edipack.github.io/EDIpack/

Use

In Quickstart we illustrate the use and the capabilities of EDIpack as a solver for Dynamical Mean-Field Theory calculation.

Reference

A full overview of EDIpack can be found at arXiv.2506.01363, currently under review in Scipost Physics Codebases scipost_202506_00023v1. The paper source is also available at EDIpack/EDIpackManuscript.

Useful informations about the distributed memory parallel algorithms underlying the functioning of EDIpack and their benchmarks are presented in j.cpc.2021.108261 (also freely available in the arXiv).

Should you use EDIpack or any of the derived packages, please consider citing both papers:

@misc{Crippa2025arxiv,
      title={A flexible and interoperable high-performance Lanczos-based solver for generic quantum impurity problems: upgrading EDIpack}, 
      author={Lorenzo Crippa and Igor Krivenko and Samuele Giuli and Gabriele Bellomia and Alexander Kowalski and Francesco Petocchi and Alberto Scazzola and Markus Wallerberger and Giacomo Mazza and Luca de Medici and Giorgio Sangiovanni and Massimo Capone and Adriano Amaricci},
      year={2025},
      eprint={2506.01363},
      archivePrefix={arXiv},
      primaryClass={cond-mat.str-el},
      url={https://arxiv.org/abs/2506.01363}, 
}

and

@article{amaricci2022CPC,
	author = {A. Amaricci and L. Crippa and A. Scazzola and F. Petocchi and G. Mazza and L. {de Medici} and M. Capone},
	doi = {https://doi.org/10.1016/j.cpc.2021.108261},
	issn = {0010-4655},
	journal = {Computer Physics Communications},
	keywords = {Exact diagonalization, Quantum impurity models, Strongly correlated electrons, Dynamical mean-field theory},
	pages = {108261},
	title = {EDIpack: A parallel exact diagonalization package for quantum impurity problems},
	url = {https://www.sciencedirect.com/science/article/pii/S0010465521003738},
	volume = {273},
	year = {2022},
	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/S0010465521003738},
	bdsk-url-2 = {https://doi.org/10.1016/j.cpc.2021.108261}}

Issues

If you encounter bugs, difficulties or have any other query please file an issue or send an email to edipack@iom.cnr.it.

Authors

EDIpack authors:
Adriano Amaricci
Lorenzo Crippa
Samuele Giuli
Gabriele Bellomia
Alberto Scazzola
Luca de Medici
Giacomo Mazza
Francesco Petocchi
Massimo Capone

Other important authors contributed to the development of the EDIpack ecosystem:
Igor Krivenko
Alexander Kowalski
Markus Wallerberger
Giorgio Sangiovanni