[Pw_forum] Calculate Magnetic Moments of Specific Atoms

[曹海元]

Dear QE users and developers,

  I'm now using QE to calculate the electronic structure with spin
polarized noncollinear spin calculation with FeSe. I only want to take the
spin of Fe atoms into consideration. But the command constrained_magnetization
just could be applied to all the atoms. So if I constrain the magnetization
of the Se atoms, it also constrains the magnetization of the Fe atoms.

  Could anyone tell me that how can I just calculate the magnetic moments
of the Fe atoms with fix the magnetization of Se atoms as 0 in the
calculation.

Best regards

Cao Haiyuan

Haiyuan Cao
Graudate Student
Department of Physics & CPSLAB,  Fudan University
Room 224, Henglong Physics Building, Handan Road 220
Shanghai, China
Tel:+86 65643423
E-mail: raincoatrun at gmail.com
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