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

An updated version of the VASP2WANNIER90v2 interface

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

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

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

Set of quantum chemistry programs and libraries

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

D3Q + thermal2

Real-time TDDFT for Quantum-Espresso

Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry

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

An interface for ELK-Wannier90 calculations

Finite Element Solvers for Atomic Structure Calculations

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

Electronic Structure Package with the NEO/APMO implementation

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

Thomas Relativistic Electronic Structure Calculation

Implementation of Bardeen and Tersoff-Hamann approximations.

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.

Generalized Extended Broken Symmetry optimization