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
_______________________________________________ users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
