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.
Download and run online this app named Inelastica with OnWorks for free.
Follow these instructions in order to run this app:
- 1. Downloaded this application in your PC.
- 2. Enter in our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.
- 3. Upload this application in such filemanager.
- 4. Start the OnWorks Linux online or Windows online emulator or MACOS online emulator from this website.
- 5. From the OnWorks Linux OS you have just started, goto our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.
- 6. Download the application, install it and run it.
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
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.