[Wien] Fixed Spin Moment Calculations (Heavy Elements)

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I was keen to know if somebody has experience in doing FSM calculations for
heavy elements (runsfm_lapw) 

Since it is mentioned in UG, -so interaction is not supported, how do we
carry out a total energy calculation (-so contribution around 1.2-1.5 Ry per
atom in heavy elements) for heavy elements at various volume changes for a
fixed spin moment. 

 

Thanks and regards 

Suddhasattwa 

 

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