How to extract the Enthalpy from the DMFT calculation?

Running Abinit Many-body theory
1

Dear everyone,
I want to study the crystal phase transition of electron-correlated materials under high pressures, anyone knows how to extract the Enthalpy from the DMFT calculation?

Any suggestions will be welcome.

Best,
Chao

2

Since H (enthalpy)=E (internal energy)+PV. When keep the “tsmear” constant, can I use the valule of Pressures calculated by the DMFT of abinit to extract the enthalpy ?

Best,
Chao

3

Hi
The pressure is not yet calculated in DMFT, so the pressure indicated is meaningless.
So do not use it to compute enthalpy.
Bernard