On Tue, 2012-12-18 at 09:56 -0200, Antonio wrote: > 1) I'm studying a system containing 284 electrons. > So, how is found the number of Kohn-Sham states equal to 170
you need at least 284 states, 142 up and 142 down; then the code adds 20% more statyes, since the system is presumed to be metallic (you specified a gaussian smearing) P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
