Inelastica download for Linux

This is the Linux app named Inelastica whose latest release can be downloaded as inelastica-code-446.zip. It can be run online in the free hosting provider OnWorks for workstations.

 
 

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Inelastica



DESCRIPTION:

NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ 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: http://dipc.ehu.es/frederiksen/inelastica/index.php.



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


Audience

Science/Research


User interface

Command-line


Programming Language

Python


Categories

Physics

This is an application that can also be fetched from https://sourceforge.net/projects/inelastica/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.



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