sisl
Manipulation and post-processing of DFT output and creating tight-binding models for NEGF transport
- tight-binding
- DFT
- LCAO
- NEGF
- physics
- bigdft
- condensed-matter
- density-functional-theory
- geometry
- graphene
- gulp
- siesta
- solid-state
- solid-state-physics
- tbtrans
- transiesta
- vasp
- wannier90