could you please share a handy way (some concise and explicit step by step procedures) to generate semicore pseudopotentials - for novice learners?

This question, how to generate semicore pseudopotential, was posted earlier (Link), and the comments/answers of that question has some hints to generate semicore pseudopotential. Still I did not get a suitable/easy step by step procedure to generate semicore pseudopotential of my own choice (i.e. how many electrons will be active/valence electrons, if there will be nonlinear core corrections or not, how to include higher angular momentum channel, etc).

Any powerpoint slides or youtube video or PDF file with screenshots of steps can be of great help.

[In addition, it would be great to discuss the 'make.inc' file to generate semicore pseudopotential -if possible]

  • $\begingroup$ I gave my +1 long ago, but now that it has been almost 1 year, can you update us please? Are you still urgently or actively in need of an answer to this question? $\endgroup$ Dec 9, 2023 at 16:46


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