Dear RG members,
I am calculating the MAE for 111 surface Slab of Fe2CoAl by following the examples in Quantum Espresso.I have found all the atomic sites MAE for Fe and Co sites in Al-terminal are out-plane. However, the total MAE for the same surface Slab of Fe2CoAl is in-plane.
Is it possible to have total MAE in-plane where individual atoms MAE out-plane?