I keep getting this error with Siesta every time I do a calculation,
Program aborted. Backtrace: Semicore shell(s) with -1 electrons included in the valence for Al Semicore shell(s) with 1 electrons included in the valence for As Al must be in PAO.Basis (it has semicore states)
I'm pretty sure I'm including them properly, I have a structure with Al As and C, the C works fine, but I'm unsure why the others aren't working well.
I've tried using B instead of Al and I get the same error.
Pseudopotentials are the ones from here