Hi all, what would be the method of choice for structure optimizations of fairly large transition metal systems (say 50 atoms) of Ti or Zr? I would like to get some feeling of timings and quality. Thanks, Steven -------------------------------------------------------------------------- Steven Creve steven.creve # - at - # chem.kuleuven.ac.be Labo Quantumchemie Celestijnenlaan 200F 3001-HEVERLEE tel: (32) (16) 32 73 93 BELGIUM fax: (32) (16) 32 79 92