Dear Elk developers
Is it possible to add an option for all electron and valence electron calculations and a keyword to switch between either of these calculations, so that the user can choose either of these calculations?
Thank you in advance
what do you mean by that? It is possible to do a frozen-core calculation with frozencr=true. This uses the atomic potential for the core states instead of the crystal effective potential. Further, you can move states into the core in the species files, see the manual.
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