There is a bug in the vasp magmom setting for core hole calculation. Take NiAl3 for example. In MP it is Ferromagnetic. The setting in the SCF calculation is correct for 27Al 81 Ni as MAGMOM = 27-0.017 810.366 . In the core hole calculation, the atom type order changes to 1Ni 27Al 80Ni. However, the MAGMOM card is the same, which should be 10.366 27-0.017 800.366 . Fanchen, can you check this?
There is a bug in the vasp magmom setting for core hole calculation. Take NiAl3 for example. In MP it is Ferromagnetic. The setting in the SCF calculation is correct for 27Al 81 Ni as MAGMOM = 27-0.017 810.366 . In the core hole calculation, the atom type order changes to 1Ni 27Al 80Ni. However, the MAGMOM card is the same, which should be 10.366 27-0.017 800.366 . Fanchen, can you check this?