QUICK: A GPU-enabled ab intio quantum chemistry software package
Simulation Package for Ab-initio Real-space Calculations
A lightweight ab initio molecular dynamics simulation program
A tool to read and operate OpenMX HKS (Kohn-Sham Hamiltonian) files
Simulation Package for Ab-initio Real-space Calculations. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000546
Siam Quantum 2: An Open-Source C Toolbox for Quantum Modeling and Electronic Structure Development.
Solve Dirac equation for the electrons in an isolated atom
W-SLDA Toolkit: Self-consistent solver of mathematical problems which have structure formally equivalent to Bogoliubov-de Gennes equations.
Add a description, image, and links to the density-functional-theory topic page so that developers can more easily learn about it.
To associate your repository with the density-functional-theory topic, visit your repo's landing page and select "manage topics."