On Sat, 9 Jul 2005, Zhou Chenggang wrote:
Hello all. I wonder if anybody could tell me how to determine the HOMO-LUMO gap of a specific system from the calculation result by siesta? Thanks in advance!
On Sat, 9 Jul 2005, Zhou Chenggang wrote:
Hello all. I wonder if anybody could tell me how to determine the HOMO-LUMO gap of a specific system from the calculation result by siesta? Thanks in advance!