[Pw_forum] Need help in spin polarized calculations
myoussef at mit.edu
Tue Jul 4 10:16:29 CEST 2017
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.
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