ase.io.read(format='vasp-xml') will read enthalpy as energy instead of energy
Dear ASE developer:
It seems that atoms read from 'vasprun.xml' and 'OUTCAR' will give different values when use get_potential_energy().
The former gives the enthalpy but the latter gives energy without PV. And so in different ase version, the 'VaspCalculator' will give different results since 'read_results' was changed from 'OUTCAR' to 'vasprun.xml'. So could you please fix it and make the results uniform?
Thank you!