Theoretical Density, Orbital Relaxation and Exciton analysis
Interactive program to calculate electronic properties in graphene
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
Calculate Crystal Orbital Overlap Population for the CRYSTAL program
Automatic calculation and plot of phase diagram
Compare and visualize charge densities from various file formats.
Input file preparation tool for DFT codes
Quantum Chemistry: Excited States Topology
A software package for estimating generalized ensemble weights in Mark