PtH2Pt nanojunction
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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 Hamiltonian modeling of electronic transport
NEGF+DFT Hamiltonian modeling of electronic transport
- GPAW scripts; please change
symmetry={'point_group': False, 'time_reversal': False}
to
usesymm=None
to avoid syntax errors.
