Integrated open software suite for quantum nanoscale modeling
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The integrated open software suite for quantum nanoscale modeling includes the computational (server) part based on the fast atomistic DFTB+ code combined with the TraNaS transport library (DFTB+XT), the general atomistic code CP2K and the finite-element ElmerSolver for multiscale modeling.
The desktop GUI TraNaS UI can be used for input/output preparation and analysis.
Python scripting is suggested for complex computational tasks.
The suite is supplied by the Guide, Manual, Tutorial, Tests, Examples.


Dmitry A. Ryndyk


New Tranas OpenSuite Release 1.02 will appear in January 2019.
New GitHub place for TraNaS OpenSuite development is now
Repositories are:
The DFTB+XT package can be used now for quantum transport in combination with CP2K package.
Experimental version of the DFTB+XT/CP2K+XT open software suite for nanoscale modeling is available at GitHub. It consists of the CP2K+XT package together with the development version of the DFTB+XT package
The first version 1.01 of the DFTB+XT package is presented in January 2018.