[Wien] SO+HF calculations

Tarek Hammad hammad_tarek at hotmail.com
Wed Mar 17 00:48:43 CET 2021


Dear Wien2k team and developers

I would like to run SO + hf calculations for semiconducting material , 
so, I ask about the steps of computations

For instance:

it could be

         1- Normal PBE initialization and scf run.

         2- Initi_so

         3- run_lapw -so

         4- init_lapw -hf

         5- run_lapw -hf

Thanks a lot for your help.

Kind regards

Dr. Tarek Hammad.




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