Dear Abhinav,

Spin polarization of ferro materials and other magnetic materials as well as spin polarization current can be all calculated by ab initio methods, in QE. The important parameters are in the &SYSTEM namelist of the input file.

For instance,

nspin = 2 starting_magnetization(1) = 0.5

Follow this forum to get details

https://mattermodeling.stackexchange.com/questions/2350/how-to-do-spin-polarization-calculations-using-quantum-espresso

thanks for the reply sir Muhammad Hamza El-Saba . I have already added these two blocks but still there is a huge mismatch

In quantum espresso you can try

nspin=2

tot_magnetization = 3.5

you don't need to specify starting magnetization for each atom.

Can you check occupation numbers in your output?

For spin polarized calculation you should see occupation number 1.0 up to the highest occupied band and 0.0 beyond for both up and down spin. If you are getting numbers other than 1.0 or 0.0 that means there is problem with spin petitioning possibly because of smearing. You should use

occupations = 'fixed'

If you can not see occupation numbers in your ouptput, you may use

verbosity = 'high'

good luck

What I have noticed is that with QE magnetism might depend strongly on the degauss values. You should try to see what happens if you reduce it.

On the other hand, fixed occupations would impose magnetism but I am not sure how much it would depend on the initial value.