Overview

This is the homepage of TRIQS/triqs_modest v4.0.0. 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 developing quantum embedding calculations in connection with realistic electronic structure codes. Some fo the key features include:

• Generic representation 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, charge-density correction, etc.

The supported DFT codes are: Wien2k, VASP, Quantum ESPRESSO, Elk, AbInit, and Wannier90. Quantum ESPRESSO and AbInit are interfaced via Wannier90. For more details on the specific electronic interfaces, please see TRIQS/dftkit.

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.