[Wien] GGA+U+SO steps order

tarek hammad_tarek at hotmail.com
Sun Sep 6 18:25:01 CEST 2020


Dear Wien2k useres / team

I have 2 questions

If I ran GGA+U for spin-polarized case and later after the calculations 
were ended I wanted

to add SO calculations to the previous GGA+U. Does it write to use the 
following command in new run:

                 "runsp_lapw -p -ec 0.0001 -so -i 99".

Thanks a lot for your help

Tarek Hammad.





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