On Jan 16, 2010, at 2:54 , vtmtrinh at caltech.edu wrote: > Thank you! From your experience, for Mn-based which DFT is the best > to be > used? none will guarantee anything P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222