On Jan 24, 2008, at 12:30 , Riccardo Sabatini wrote: > The result i had is around -7.47 Ry. My first question is about > this result. I'm following a tutorial presentation (...) and there > is listed a value of -7.52 Ry for the Si atom free.
absolute values of the energy depend on the specific pseudopotential. Energy differences shouldn't. Paolo --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
