[SIESTA-L] Question about finding barrier height

I have a unit cell that has 100 plane of Magnesium Oxide sandwiched between 100 planes of Nickel in the z direction. The unit cell is x,y periodic. What is the best way to find out the barrier height created by MgO. plot LDOS? Thanks -Kamaram --- Kamaram Munira Graduate

Re: [SIESTA-L] Question about finding barrier height

Hi Kamaram! Do you need so many planes? The calculation is going to be very long! If you need the LDOS you should include the following option in the input fdf: %block LocalDensityOfStates Emin Emax units %endblock LocalDensityOfStates The Emin and Emax (Emin < Emax) specify the i