Overview

‍This is the homepage of TRIQS/triqs_modest 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.

This is the doxygen generated part of the documentation. It provides a detailed reference API Documentation for the C++ code of ModEST.

For more general information, tutorials, Python API documentation, etc. please visit the main homepage.