DFTB+ general package for performing fast atomistic simulations
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Updated
Dec 11, 2024 - Fortran
DFTB+ general package for performing fast atomistic simulations
Basic programs for generating Slater-Koster files for the DFTB-method
Tutorial for DFTB+. It provides input files and SLURM submission scripts for a fast introduction to DFTB+ and DFTB+NEGF
Parameter files for the GBSA implicit solvation model
A plug-in for DFTB+ in a SEAMM flowchart
This repository contains the working files used in the work "Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Non-Adiabatic Molecular Dynamics: Size Dependence and Role of Surface Termination"
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