I'm a beginner in DFT and I want to study the properties of NiO and doped-NiO materials using Quantum ESPRESSO.I found in the internet that I should introduce the spin magnetization in the Input file (or CIF file) because NiO is an antiferromagnetic material. The CIF file of conventional NiO (extracted from Materials Project website) is presented bellow:
# generated using pymatgen
data_NiO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21661958
_cell_length_b 4.21661958
_cell_length_c 4.21661958
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiO
_chemical_formula_sum 'Ni4 O4'
_cell_volume 74.97099306
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 0.00000000 0.00000000 0.00000000 1
Ni Ni1 1 0.00000000 0.50000000 0.50000000 1
Ni Ni2 1 0.50000000 0.00000000 0.50000000 1
Ni Ni3 1 0.50000000 0.50000000 0.00000000 1
O O4 1 0.50000000 0.00000000 0.00000000 1
O O5 1 0.50000000 0.50000000 0.50000000 1
O O6 1 0.00000000 0.00000000 0.50000000 1
O O7 1 0.00000000 0.50000000 0.00000000 1
I tried to model antiferromagnetic NiO by adopting two Ni-atom positions at Ni0 (0.00000000 0.00000000 0.00000000) and Ni1 (0.00000000 0.50000000 0.50000000) for the spin up and two Ni-atom positions at Ni2 (0.50000000 0.00000000 0.50000000) and Ni3 (0.50000000 0.50000000 0.00000000) for spin down [like in the CIF file above] then I wanted to pass the file through FINDSYM website. However I found in some papers a more complicated model like the one in the picture below:
Is the model in the picture the one that I should use, and how to include that in my input (or CIF) file?