Liu Yang

KSSOLV Toolbox: a visual, workflow-oriented tool for first-principles simulation KSSOLV is a MATLAB toolbox for performing Kohn–Sham density functional theory (DFT) calculations using a plane-wave basis. It supports ground-state energy and electron density calculations for molecules and solids, geometry optimization, and k-point sampling for band-structure analysis. KSSOLV is designed for ease...