Our software:

  • SIMAN (a set of Python tools for high-througput DFT calculations and their analysis)
  • GB (C++ tool for construction of grain boundaries in metals)
  • Diffraction (C++ and Fortran tool for constructing theorectical electronogramms of crystal structures)

Friendly software:

  • BVlain (Python tool for making bond valence analysis in crystal structures and determine percolation barriers of ionic conuction) 

 

Other software knowledgebase: