About Inelastica
NOTE: The Inelastica project moved to in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and...
NOTE: The Inelastica project moved to in February 2018.
Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python.
Some code documentation and installation instructions are available at this mediawiki page: .
Features
- Computing electron transmission and shot noise
- Eigenchannel scattering states
- Projected density of states (PDOS) in the transport setup (semi-infinite electrodes)
- Phonon frequencies, normal modes and e-ph couplings
- Inelastic effects in current-voltage characteristics (IETS)
- Signatures of local heating
Previous Versions
Here you can find the changelog of Inelastica since it was posted on our website on 2015-04-26 03:00:00.
The latest version is 446 and it was updated on 2024-04-22 16:09:54. See below the changes in each version.
Inelastica version 446
Updated At: 2017-11-30
Inelastica version 1.1
Updated At: 2009-12-29
Changes: Several fixes and updates
Disclaimer
External Download
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