Examples

The following physical systems are used to exemplify various use cases of Inelastica:

Bulk systems

Calculation of electron and phonon band structures, density-of-states, etc.

• Au FCC
• Na BCC
• NaCl

Nanoscale electronic devices

Calculation of eigenchannels, elastic transmission, vibrations, electron-phonon couplings, IETS, etc.

• H2 molecule bridging 1D Au electrodes
• Graphene/SiC
• CO/Cu(111)
• Nudged elastic band