[QE-users] Problem in SOC + magnetic calculations

[MEGHA GOYAL]

Dear Expertise,
I tried to perform *SOC + magnetic calculations* using quantum espresso.

In case of *Ferromagnetic calculations*, I got the following magnetization,
             total magnetization = 3.82 Bohr mag/cell
              absolute magnetization = 4.25 Bohr mag/cell

However, in the *FM+SOC*, the magnetization results for the final structure
is,
              total magnetization = 0.00 0.00 0.00 Bohr mag/cell
              absolute magnetization = 0.00 Bohr mag/cell

Can anyone suggest to me why my system is converging to* non magnetic* case?

Thanks in advance
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Megha Goyal
Research Scholar
Department of Physics
Sant Longowal Inst. of Engg. & Tech.
(Deemed University, Under MHRD, Govt. of India)
Longowal, Sangrur -148106 (Punjab), India
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