materialsproject/pymatgen: v2018.4.6

Software OPEN SOURCE
Shyue Ping Ong; gmatteo; Michiel van Setten; Will Richards; Joseph Montoya; Xiaohui Qu; Anubhav Jain; Kiran Mathew; Geoffroy Hautier; Stephen Dacek; Bharat Medasani; cedergroupclusters; Richard Tran; Nils Zimmermann; Shyam Dwaraknath; Matthew Horton; Michael; Sai Jayaraman; Germain Salvato Vallverdu; Guido Petretto; yanikou19; fraricci; Alireza Faghanina; Zhi Deng; Dan Gunter; Tess; Oskar Weser; Saurabh Bajaj; ndardenne; Bruno Rousseau;
(2018)

<ul> <li>Updated debye temperature formulation (Joey Montoya)</li> <li>Add bandgap option for FermiDos for scissoring (Alireza Faghaninia)</li> <li>Improved Pourbaix code (Joey Montoya)</li> <li>Local env code improvements (Nils)</li> </ul>
Share - Bookmark

  • Download from
    Zenodo via Zenodo (Software, 2018)
  • Cite this software