RESPACK

First-principles software that computes RPA response functions, Wannier functions and matrix elements of screened interactions to derive effective models of materials

Electronic structure (solid state physics)Strong correlation/effective modelsFortranGPL-3.0

Overview

RESPACK is a free software of ab initio many-body perturbation codes including calculations for response function with random-phase approximation, Wannier function, and matrix-element evaluations of frequency-dependent screened direct and exchange interactions.

Typical use cases

Derive low-energy effective models (interaction parameters) of materials from first-principles calculations

Quick Start

📖 Documentation

Richness

This software is listed by hand without repository data, so its docs / examples / tests are not assessed automatically. See the official website.

Information

Primary language: Fortran
License: GPL-3.0
Provider: Listed by hand (no repository data)
DOI: 10.1016/j.cpc.2020.107781
Documentation: https://sites.google.com/view/kazuma7k6r

Citation

K. Nakamura et al., Comput. Phys. Commun. 261, 107781 (2021).

DOI: 10.1016/j.cpc.2020.107781

Contact / Contribution

No contact information registered.