DFTB+ general package for performing fast atomistic simulations
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Dec 23, 2024 - Fortran
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dftb
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Basic programs for generating Slater-Koster files for the DFTB-method
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Dec 18, 2024 - Fortran
Tutorial for DFTB+. It provides input files and SLURM submission scripts for a fast introduction to DFTB+ and DFTB+NEGF
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Sep 21, 2017 - Shell
Parameter files for the GBSA implicit solvation model
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Feb 28, 2021 - Awk
A plug-in for DFTB+ in a SEAMM flowchart
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Dec 14, 2024 - Python
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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Jan 19, 2020 - Python
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