I just finished the 21-layer at 0.001 charge convergence. The surface state is still 0.54 eV. The 7- and 5-layer slabs at higher charge convergence are being calculated now. Chiung-Yuan Jorissen Kevin wrote: > Is 0.01 charge convergence the best you can do? I know you have very large systems, but it doesn't strike me as perfect convergence. > > Kevin.