Overview

Table of Contents

• Where to start?

‍This is the homepage of TRIQS/bzSummation v3.3.0. The source code can be found on GitHub.

ModEST is a TRIQS application written in C++ with a Python interface, designed as a toolkit that extends the modular nature of TRIQS with an API specifically tailored for electronic structure developers and users. Some of the key features include:

• Interfaces to external electronic codes (VASP, Quantum ESPRESO, Wien2k, Elk, AbInit, Wannier90).
• Generic represenation of DFT data (one-body elements).
• Powerful embedding description to articulate generic DMFT embedding scenarios.
• High-performant implementations of key functions: local Green's function, chemical potential search, lattice density, etc.

Where to start?

The Installation section tells you how to get the library and make it available on your system.

Integration in C++ projects explains how to integrate bzSummation in your own C++ code.

Then, you can start with the Examples section to get an overview of the library's features and how bzSummation can be used in practice.

Furthermore, we provide a detailed reference API Documentation to answer your questions.

If you experience any problem with the library, you can post an Issue on GitHub.