Hello all,
I have some questions about potential of abinit. I calculated the potential of a slab model with prtpot,prtvha,prtvhxc,prtvxc. But I found that the total potential is not zero in vacuum space. The total potential value changes in vacuum space for different systems. I have two questions: How the zero potential energy point defined? How can I discuss the effect of potential on EIG value,calculate and compare <phi|Vtotal|phi> values? Many thanks.
Zjuer