On Jul 6, 2008, at 20:58 , vega lew wrote: > But it is especially strange that the total energy was -730.11745 Ry, > rather different than the PWscf's results.
absolute energies depend on the pseudopotential used --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
