[Pw_forum] Need help in spin polarized calculations

[Mostafa Youssef]

Dear Sayan,

In the case of metallic systems, it is recommended to use smearing. With the smearing applied, you can use start_magnetization to give an initial guess for the magnetic moment.  pw.x will try self-consistently to find the final magnetization that leads to minimum energy (Achieving both goals simultaneously).  No need for the tot_magnetization in this case.


Regards,
Mostafa

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