Dear Quantum-ESPRESSO users, I am using QE for simulations of transition metal clusters. My question is where the code places the vacuum level in such calculations (nonperiodic systems in a big cell) ? To formulate differently, is it possible to compare directly KS eigenvalues from different calculations ?
Thanks, Vladan Stevanovic --------------------------------------------- Assistant-doctorant EPFL SB IRRMA-GE PH H2 435 (B?timent PH) Station 3 CH-1015 Lausanne tel. : +41 (0)21 693 51 08 e-mail : vladan.stevanovic at epfl.ch ---------------------------------------------
