How does CASM calculate E_DFT?

[debolinadeb]

Dear CASM Developers,

PROBLEM:

Can you please tell me how is CASM calculating the E_DFT?

The DFT energies of the references (each of 28 sites; prim) are:

• Ref1 : -289.20695 eV
• Ref2 : -297.15894 eV

DFT energy of a supercell (from the dataset) with 56 sites is -580.75053 eV (and its formation energy is -6.22558 meV/atom)

Now, can you please tell me how is CASM calculating the E_DFT energy to be -0.14495204 (unit I am guessing is eV/prim; please correct me if I am wrong)?

Thanks in advance!