An updated version of the VASP2WANNIER90v2 interface

Set of quantum chemistry programs and libraries

Full public release of large scale and linear scaling DFT code CONQUEST

Accurate many-body perturbation theory calculations of the electronic structure of molecules and clusters

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages

D3Q + thermal2

The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.

The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials

Real-time TDDFT for Quantum-Espresso

Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry

An interface for ELK-Wannier90 calculations

Implementation of Bardeen and Tersoff-Hamann approximations.

Generalized Extended Broken Symmetry optimization

Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)

Finite Element Solvers for Atomic Structure Calculations

Green's functions quantum transport solver based on ab-initio physical models

A python wrapper for https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/get-the-current-version-of-dft-d3

Electronic structure code based on gaussian basis sets. The code can perform apart from HF, DFT, RDMFT and some tastes of Optimized Effective Potential Theory.

Electronic Structure Package with the NEO/APMO implementation

Quantum Espresso usage