Here's a question for any solid state or computational chemists out there in VIPEr land posed to me by Frank DiSalvo from Cornell. 

About 15 years ago, Mike O'Keefe and his students from Arizona State wrote a program called EUTAX that could be used to calculate bond valence sums and Madelung potentials of complex structures if the structure was known. Does anyone know of any more recent programs that would perform the same function?

 Thanks!