Open software suite for quantum nanoscale modeling

DFTB+ & CP2K eXTended versions for model and atomistic quantum transport at nanoscale, many-body nonequilibrium phenomena, material & device modeling

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DFTB+XT & CP2K+XT packages

Contact

Dmitry A. Ryndyk
dmitry.ryndyk@bccms.uni-bremen.de

News

  01.05.2018  
 
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 github.com/dryndyk/cp2kXT.git together with the development version of the DFTB+XT package github.com/dryndyk/dftbXT.git.
 
 
     
  18.01.2018  
 
The first version 1.01 of the DFTB+XT package is presented in January 2018.