Hello, I am trying to calculate the Jij of NiF2, but I got a very small Jij, less than 0.0009meV. I followed this website "https://zhuanlan.zhihu.com/p/675944747" and I noticed that we have to guarantee the spin always along the z direction. Therefore, I wonder whether I have to change the lattice orientation since from the mcif, the spins of Ni are along the x direction.
Hello, I am trying to calculate the Jij of NiF2, but I got a very small Jij, less than 0.0009meV. I followed this website "https://zhuanlan.zhihu.com/p/675944747" and I noticed that we have to guarantee the spin always along the z direction. Therefore, I wonder whether I have to change the lattice orientation since from the mcif, the spins of Ni are along the x direction.