[Wien] Clarification on min_lapw

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I had raised the following question a few hours back. 

 "Dear Wien2k users, 

I have a small clarification on min_lapw. Does min_lapw automatically run a
SCF with optimized atomic positions and give the optimized total energy. In
which file do I have to look for the energy value with optimized atomic
positions"

 

 

 

I did not get any reply however. I thought that it is indeed case.mini_scf
that gives the energy after internal coordinates minimization. However, spin
orbit coupling is not introduced during mini_lapw. 

So can we run a regular SCF with so with the revised internal coordinates?

 

 

 

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