• Supplemental files for upcoming paper

    Mathematica Updated May 30, 2018
  • Python 2 Updated May 18, 2018
  • VASP subtool to draw Fermi-Surface; creates input file for Xcrysden

    Python 5 3 MIT Updated May 6, 2018
  • This script would fix the band ordering problem in phonopy-bandplot.

    Python 1 Updated Apr 3, 2018
  • Python scripts created by the Materials Theory and Design Group to help with symmetry mode analysis

    Jupyter Notebook 2 MIT Updated Nov 29, 2017
  • A structure relaxation code built on bond valence principles

    Python 1 Updated Nov 1, 2017
  • Scripts for submitting VASP calculations to Quest, Carbon, and Stampede supercomputers.

    Python 1 2 Updated Oct 4, 2017
  • Assets for the 2017 Materials Project workshop

    Jupyter Notebook 1 20 Updated Aug 11, 2017
  • Scripts and data for machine friendly processing of elemental properties and bond valence related quantities

    Python MIT Updated Jun 26, 2017
  • An efficient ab-initio quasiharmonic method for thermodynamic properties of solids

    1 4 Updated Mar 28, 2017