

Dear Michael,
	you may found useful the DeFT program, free after signing a licence
see: 
http://hackberry.chem.niu.edu/ChemistrySoftware/DensityFunctionalPrograms/DeFT

also have a look to our links to DFT codes at:
http://antas.agraria.uniss.it/software.html

hope it helps

regards
Bruno

Dr Bruno Manunza
DISAABA (Dept. of Agricultural Environm. Sci)
University of Sassari
V.le Italia 39
07100 Sassari, ITALY
phone: 39 79 229215
fax:   39 79 229276
e-mail: [email-masked]
e-mail: [email-masked]
e-mail: [email-masked]
web: http://antas.agraria.uniss.it