[QE-users] Thermodynamic Study

[Mohammadreza Hosseini]

Dear QE Users


I am going to compute and study thermodynamic quantities such as enthalpy, Gibbs free energy , entropy and etc. Hoe can I perform using Quantum Espresso ? I have checked an enthalpy is printed in output of VC-relax. Can I consider this as formation enthalpy ?



Mohammadreza Hosseini

Tarbiat Modares University , Tehran, Iran
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