PtH2Pt nanojunction

Experiments

• M. Kiguchi, R. Stadler, I. S. Kristensen, D. Djukic, and J. M. van Ruitenbeek, Evidence for a single hydrogen molecule connected by an atomic chain, Phys. Rev. Lett. 98, 146802 (2007). [PDF]

NEGF+Tight-binding modeling of electronic transport

• GPAW scripts

NEGF+DFT modeling of electronic transport

• GPAW scripts; please change

symmetry={'point_group': False, 'time_reversal': False}

to

usesymm=None

to avoid syntax errors.