# How to define ferrimagnetism in quantum Espresso

I would like to pick this problem from my previous post See link. I am clear about how to define antiferromagnetism in QE. Here I am with another issue.

I am confused with ferrimagnetism with Quantum Espresso (QE). Considering the same input file (mentioned below as well) from link 1, I would like to know the difference between ferrimagnetism and antiferromagnetism in the QE input file.

From the QE input file See link, I see this is the same as antiferromagnetic.

      &CONTROL
calculation = 'scf'
etot_conv_thr =   1.0000000000d-04
forc_conv_thr =   1.0000000000d-04
outdir = './tmp/'
prefix = 'pwscf'
pseudo_dir = './'
tprnfor = .true.
tstress = .true.
verbosity = 'high'
/
&SYSTEM
degauss =   1.4699723600d-02
ecutrho =   3.6000000000d+02
ecutwfc =   4.5000000000d+01
ibrav = 0
nat = 12
nosym = .false.
ntyp = 2
occupations = 'smearing'
smearing = 'cold'
/
&ELECTRONS
conv_thr =   1.0000000000d-09
electron_maxstep = 100
mixing_beta =   3.0000000000d-01
/
ATOMIC_SPECIES
Ta       ta_pbe_v1.4.uspp.F.UPF
Ni       ni_pbe_v1.4.uspp.F.UPF
ATOMIC_POSITIONS crystal
Ta            0.0000000000       0.0000000000       0.2500000000
Ta            0.0000000000       0.0000000000       0.7500000000
Ta            0.5000000000       0.5000000000       0.7500000000
Ta            0.5000000000       0.5000000000       0.2500000000
Ni           0.1677000000       0.6677000000       0.0000000000
Ni           0.3323000000       0.1677000000       0.0000000000
Ni           0.8323000000       0.3323000000       0.0000000000
Ni           0.6677000000       0.8323000000       0.0000000000
Ni           0.1677000000       0.3323000000       0.5000000000
Ni           0.6677000000       0.1677000000       0.5000000000
Ni           0.8323000000       0.6677000000       0.5000000000
Ni           0.3323000000       0.8323000000       0.5000000000
K_POINTS automatic
7 7 8 0 0 0
CELL_PARAMETERS angstrom
4.9910000000       0.0000000000       0.0000000000
0.0000000000       4.9910000000       0.0000000000
0.0000000000       0.0000000000       4.2470000000

• I don't see why this is a separate question. The difference between AF and Ferri is that net magnetization in the latter is non-zero. You need to define the spin orientation accordingly. If you're confused about how the magnetic arrangement should look like, please refer to literature for your system. I can't tell you about the arrangement without knowing what your system is (Is it a solid magnet? What is its stoichiometry..?) Sep 14 at 19:50
• Thanks, Sir, my structure is a bulk system with I4/mcm [140] space group. My reference structure is this one: https://materialsproject.org/materials/mp-2536/ but I want to study different structure with the same composition and same space group and for all these new structures, I need to study ferro, anti-Ferro and anti-ferrimagnetism. Sep 15 at 8:14