Acknowledgement and Citation

This work was supported by the National Science Foundation under grant DMR-1835939 and by the office of Naval Research under grant N00014-17-1-2202. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation grant number ACI-1548562.

Any scientific work whose results were obtained with the codes described above must properly acknowledge their use by citing the following papers (a BibTeX file is available for each paper):

1. Sara Kadkhodaei, Qi-Jun Hong, and Axel van de Walle. "Free energy calculation of mechanically unstable but dynamically stabilized bcc titanium." Phys. Rev. B, 95:064101, Feb 2017. bibtex
2. Sara Kadkhodaei and Axel van de Walle. "Software tools for thermodynamic calculation of mechanically unstable phases from first-principles data". Computer Physics Communications 2019 bibtex