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 interval of energies for
the calculation of the DOS and LDOS.
The relevant section of the manual is:
http://www.uam.es/departamentos/ciencias/fismateriac/siesta/manual-2.0/node24.html#3002
Regards,
Eduardo
On 29/09/2008, at 14:23, Kamaram Munira wrote:
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 Research Assistant
Charles Brown Department
of Electrical Engineering
University of Virginia
Charlottesville, VA-22903.
