[Wien] how to calculate the ion-doped semiconductor

[Yushan Wang]

thanks, I did as follows, and it seems that the SCF is running smoothly:
for Nd (+3),

I set the Z in the .struct is 57, not 60, and then set the number of
electron in .inst  in one 4f orbital from 3 to 0.
however,
here, I still set the background charge as 0, is is ok?

yushan