Dear all, must a basis set be generated for each functional? or can I use a basis that was created with PBE also with PW91? Best regards Michael -- Dipl. Chem. Michael F. Peintinger Institut für Physikalische und Theoretische Chemie Wegelerstr.12 D-53115 Bonn Telefon: 0228/73-2998 E-Mail: mpei at uni-bonn.de