MAE Testing II

UPDATE 2025-10-31: All the values in this post about MAE and easy/hard axis should be disregarded. They were from a faulty model that did not have the physics necessary to predict real MAE. I added a comment with some updated values.

• Magnetic density: 0.122511

• 0.066 eV/atom above hull

• No imaginary modes

• Number of atoms in the cell: 4

• Easy axis y: -8085.064189 eV (θ=90.0°, φ=90.0°)

• Hard axis z: -8085.064163 eV (θ=0.0°, φ=0.0°)

• ΔMAE (hard-easy): 0.025787 meV

• Good properties all around, need to check MAE

• Number of atoms in the cell: 4

• Easy axis y: -8151.389433 eV (θ=90.0°, φ=90.0°)

• Hard axis z: -8151.389422 eV (θ=0.0°, φ=0.0°)

• ΔMAE (hard-easy): 0.010928 meV

• Good properties, need to check MAE

• Number of atoms in the cell: 4

• Easy axis y: -8353.184698 eV (θ=90.0°, φ=90.0°)

• Hard axis z: -8353.184681 eV (θ=0.0°, φ=0.0°)

• ΔMAE (hard-easy): 0.016470 meV

• Number of atoms in the cell: 5

• Easy axis y: -8855.695232 eV (θ=90.0°, φ=90.0°)

• Hard axis z: -8855.695223 eV (θ=0.0°, φ=0.0°)

• ΔMAE (hard-easy): 0.008708 meV

• Number of atoms in the cell: 8

• Easy axis z: -14656.866015 eV (θ=0.0°, φ=0.0°)

• Hard axis x: -14656.865999 eV (θ=90.0°, φ=0.0°)

• ΔMAE (hard-easy): 0.015791 meV