qha: A Python package for quasi-harmonic free energy calculation for multi-configuration systems
Qi Zhang, Columbia University in the City of New York, Department of Applied Physics and Applied Mathematics, New York, NY, United States, Tian Qin, University of Minnesota, Twin Cities, Minneapolis, MN, United States, Renata Wentzcovitch, Columbia University in the City of New York, Lamont-Doherty Earth Observatory, Earth and Environmental Sciences, Department of Applied Physics and Applied Mathematics, Palisades, NY, United States and Koichiro Umemoto, Tokyo Institute of Technology, Earth-Life Science Institute, Tokyo, Japan