[Wien] [Wien2k Users] Internal coordinates minimization with spin orbit coupling

[Ghosh SUDDHASATTWA]

Dear Dr.Blaha, 

As given in the Wien2k website on the limitation that "forces are not
implemented yet in spin orbit coupling". In case, we want to do a min_lapw
after we have save_lapw (spin orbit as well as spin polarization SCF) for a
heavy element, would min_lapw work in this case? 

Or we have to save_lapw for a nonspin orbit SCF and then run min_lapw. 

 

Suddhasattwa 

 

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