zerothi / sisl Sponsor Star 182 Code Issues Pull requests Discussions Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations gulp dft geometry physics vasp density-functional-theory tight-binding graphene solid-state-physics condensed-matter negf siesta wannier90 solid-state transiesta tbtrans bigdft Updated Oct 4, 2024 Python
tfrederiksen / inelastica Star 33 Code Issues Pull requests Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT dft physics electron-phonon phonons negf siesta quantum-transport transiesta iets eigenchannels Updated Jul 29, 2024 Python
zerothi / ts-tbt-sisl-tutorial Sponsor Star 33 Code Issues Pull requests Tutorials for the sisl-TBtrans-TranSiesta suite tutorial negf transiesta sisl Updated Oct 2, 2024 Jupyter Notebook