[Wien] calculation on neutral or charged defect

[Stefaan Cottenier]

> how to operate the lapw to calculate, for example, the Cu doped CdS, with
> the Cu being neutral and negatively charged? here the Cu substitutes for
> the Cd.

1. The doping: with supercells.

2. The charge: add the wanted charge in the top line of case.inm (see UG, 
mixer).

Stefaan