Salvador Meza Aguilar ha scritto: > Which is the problem? I attach the input files.
It is known that DFT, especially GGA, gives a (wrong) magnetic moment for Palladium bulk. It is also true that in order to reproduce the literature results I had to use a smearing smaller than you did (exactly half was barely sufficient). -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ Due to budget cuts approved by Italian Minister of Finance and Italian Minister "for" Education, University and Research this may be the last email you receive from me. Please send any future correspondence, possibly via pigeon, to mr. Lorenzo Paulatto under Roiano Railway Bridge - Pillar 2 34136, Trieste Donations in food, coins, booze and processor time are warmly welcome.
