interaction energy in output file

[had-sham]

Hello to everyone,

In the RASPA output file, the interaction energies (like host-guest and guest-guest) are given in units of Kelvin (K).

After I convert these energies to kJ/mol, what does the "per mol" refer to?

Is it per mole of unit cells?

Per mole of supercells?

Per mole of the entire system (adsorbent + adsorbate)?

Or per mole of adsorbate molecules?

Thank you for your help.