[Wien] total energy

Douglas Barlow dabarlow at sewanee.edu
Thu Feb 29 20:25:12 CET 2024


Could anyone clarify. When WIEN2K gives the "total energy" what does this
refer to?

Energy per mole? Energy per supercell? Energy per unit cell? Energy per
particle?

If the system is periodic, then isn't the system infinite in size?

Doug Barlow
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