[Wien] [Wien2k Users] c/a optimization with spin orbit coupling

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

The optimize.job script shows the following 

run_lapw -ec 0.0001 #-in1new 3 -in1orig 

# runsp_lapw -ec 0.0001 

# min_lapw -I -j "run_lapw -I -fc 1.0 -I -40" 

...

Now is spin orbit supported in c/a optimization? 

That is to say, can I modify the first line to 

Runsp_lapw -cc 0.0001 -ec 0.00005 -so #-in1new 3 -in1orig

 

I ask this question with respect to c/a optimization of f-elements 

Any suggestions 

 

Suddhasattwa 

 

 

 

 

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