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
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Kamaram Munira
Graduate
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
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