Dear users,<br> 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. <br>
<br>Sincere thanks in advance.<br>Mohnish Pandey<br><br clear="all"><br>-- <br>Mohnish Pandey<br>Y6262,4th Year Undergraduate,<br>Department of Chemical Engineering,<br>IIT KANPUR<br>