Using dH/dT to calculate Cp

MineralsCloud / qha

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations

https://mineralscloud.github.io/qha/

GNU General Public License v3.0

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Closed chazeon closed 6 years ago

chazeon commented 6 years ago

Fixes strange behavior when calculating Cp