slater-koster

There are 2 repositories under slater-koster topic.

pysktb
santoshkumarradha / pysktb
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
topology condensed physics slater-koster tight-binding hamiltonian electronic-structure band-structure topological-insulator pysktb python topological-insulators pymatgen computational-physics dft electronic-structure-calculations quantum
Language:Python 44
deepmodeling / DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
dft hamiltonian machine-learning slater-koster tight-binding
Language:Python 32
Infant83 / TBFIT
Tight-binding parameter fitting package (TBFIT) for Slater-Koster method
tight-binding quantum-chemistry slater-koster fitting levenberg-marquardt-algorithm particle-swarm-optimization conformational-space-annealing
Language:Fortran 25
dftbplus / skprogs
Basic programs for generating Slater-Koster files for the DFTB-method
density-functional-theory dftb quantum-mechanics slater-koster tight-binding
Language:Fortran 24
alejandrojuria / tightbinder
General purpose Slater-Koster tight-binding library for electronic structure calculations
condensed-matter-physics python simulation tight-binding electronic-structure slater-koster solid-state-physics band-structure topology alloys disorder dft-fit physics
Language:Python 12
QG-phy / DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
dft machine-learning slater-koster tight-binding density-functional-theory density-matrix hamiltonian
Language:Python 1