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LORBIT = 11 or 12 can only display s p d - projected DOS,
how to calculate 4f projected DOS ?


Thanks !!!

if your calculation includes an element with f-valence electrons, the projected DOS automatically is extended to give the split f-DOS as well.

[quote="admin"]if your calculation includes an element with f-valence electrons, the projected DOS automatically is extended to give the split f-DOS as well.
[/quote]

For Terbium, does the POTCAR include f electrons ?

you can see in the potcar file, all the orbitals considered out of the core.open the potcar file,find the Terbium information potential,later you can read(VRHFIN),maybe in the third line, the orbitals that are considered of the shell.If one of those is f,in your doscar there is the contribution of the orbital.