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Projects in Awesome Lists tagged with tight-binding
A curated list of projects in awesome lists tagged with tight-binding .
https://github.com/dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
atomistic-simulations density-functional-theory dftb quantum-mechanics tight-binding
Last synced: 04 Aug 2024
https://github.com/zerothi/sisl
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
bigdft condensed-matter density-functional-theory dft geometry graphene gulp negf physics siesta solid-state solid-state-physics tbtrans tight-binding transiesta vasp wannier90
Last synced: 02 Aug 2024
https://github.com/deepmodeling/DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
dft hamiltonian machine-learning slater-koster tight-binding
Last synced: 31 Jul 2024
https://github.com/deepmodeling/tbplas
Repository of TBPLaS (tight-binding package for large-scale simulation)
condensed-matter-physics solid-state-physics tight-binding
Last synced: 31 Jul 2024