Abstract
Post- processing software interfaced with Phonopy to provide an accurate and efficient method to calculate various thermodynamic properties utilizing phonon frequencies calculated from first-principles methods.
Usage: See the documentation available at the MTD group’s GitHub Site and in detail in Comput. Mater. Sci., 120, 84-93 (2016).
Usage: See the documentation available at the MTD group’s GitHub Site and in detail in Comput. Mater. Sci., 120, 84-93 (2016).
Original language | English (US) |
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State | Published - 2016 |