QUANTAS: a Python software for the analysis of thermodynamics and elastic behavior of solids from ab initio quantum mechanical simulations and experimental data
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DOI: 10.1107/s1600576722000085
Abstract: This paper presents QUANTAS, an open-source Python-based software aimed at providing a fast, flexible and easy-to-use framework to calculate the thermodynamics and elastic properties of crystalline solids. QUANTAS could be of use for researchers involved… read more here.
Keywords: software analysis; quantas python; python software; thermodynamics ... See more keywords