Self-Consistent Quasiharmonic Approximation Method

Liang Feng Huang (Artist), Xue Zeng Lu (Artist), Emrys Tennessen (Artist), James M Rondinelli (Artist)

Research output: Non-textual formSoftware


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).
Original languageEnglish (US)
StatePublished - 2016


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