Hi Azeem,

You might like to check out WIEN2k software by Blaha et al. of the Institute of Materials Chemistry, TU Vienna.

It needs to install on a LINUX/UNIX environment and not Windows, so there's a learning curve there, depending on how familiar you are with typing command lines in a terminal. (I did it for my Honours project)

You can get an idea of what the program does here:

http://susi.theochem.tuwien.ac.at/features/

with sample screenshots here:

http://susi.theochem.tuwien.ac.at/features/3Quick_Start.html

p.s. I just found out that WIEN2k is no longer free as I remembered it, but requires a fee:

http://susi.theochem.tuwien.ac.at/order/index.html

so this software might not be the best answer to your question!

Cheers.