[Pw_forum] difference in energy calculated by "gaussian" and "m-v" smearing

[mohnish pandey]

Dear users,
                      I have calculated the energy of zinc oxide thin film
having nine layers. But the energy calculated by "m-v" and "gaussian"
smearing is coming out to be very different. The difference is around 0.1
Rydberg. I have used used "degauss" to be .05 and 10^-3  respectively for
"m-v" and "gaussain smearing". Can anybody please tell me why the energy is
coming out to be very different. I have gone through the sections of book by
Martin and Sholl also but I couldnt find that.

Sincere thanks in advance.
Mohnish Pandey


-- 
Mohnish Pandey
Y6262,4th Year Undergraduate,
Department of Chemical Engineering,
IIT KANPUR
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