DeFT is a density functional moleculat orbital calculation program, which was made by Alain St-Amant at Univ. Ottawa. If you are interested in DeFT, please try to contact him. URL:http://www.chem.uottawa.ca/st-amant/st-amant_en.html DeFT_2.2 may be run with MPI, but I did not try it. Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions have been assisted greatly by Glenn Johnson , thanks a lot ! He found a couple of troublesome in optimization using g77 at FreeBSD 4, then it is recommended to use f2c/cc. -- rmiya