| Re: about MAE ( No.1 )|
- Date: 2016/12/26 17:26
- Name: T. Ozaki
Strictly speaking, Utot should be used rather than Uele.
since Utot is the total energy, while Uele is the sum of
eigenenergies for occupied states. Our benchmark calculations
for several systems such as L10-FePt provided a reasonable MAE
by employing Utot.