<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:13px"><div id="yiv3513290344"><div id="yui_3_16_0_1_1421665160673_18790" style="color:#000;background-color:#fff;font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:13px;"><div><span></span></div><div id="yui_3_16_0_1_1421665160673_18789"><div id="yui_3_16_0_1_1421665160673_18801" dir="ltr">Dear All,</div><div id="yui_3_16_0_1_1421665160673_18839" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_18872" dir="ltr">I am trying to calculate the band gap from a density of states (DOS) plot for LaFeO3 but haven't been successful.<br></div><div id="yui_3_16_0_1_1421665160673_18859" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_18858" dir="ltr">Upon reading around I find out that the band gap is the energy difference between the Conduction band minimum and the Valence band maximum.</div><div id="yui_3_16_0_1_1421665160673_18873" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_18874" dir="ltr">From the DOS plot below, is it right for me to use a metre rule (*though sounds funny*) to measure the difference between the peaks/ bands at the fermi level (E-Ef)?</div><div id="yui_3_16_0_1_1421665160673_20249" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_20248" dir="ltr">Please direct me if there is a better way of calculating it.</div><div id="yui_3_16_0_1_1421665160673_20072" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_20071" dir="ltr">Thanks</div><div id="yui_3_16_0_1_1421665160673_20247" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_19506" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_18915" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_19507" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_19508" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_19509" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_18918" dir="ltr"><img id="yui_3_16_0_1_1421665160673_19510" class="ymail-preserve-class inline-image-guid-e28d87d8-75fa-2cd6-1b86-bfeec47b152a rte-inline-saved-image" src="cid:2efa216e-a819-a292-41f3-34494693e67e@yahoo.com" data-id="inline-image-guid-e28d87d8-75fa-2cd6-1b86-bfeec47b152a" alt="Inline image" style="width: 50%; max-width: 400px; max-height: 309px;"><br></div><div id="yui_3_16_0_1_1421665160673_18857" dir="ltr"><br></div><div id="yui_3_16_0_1_1421665160673_18856" dir="ltr"><br></div></div><div id="yui_3_16_0_1_1421665160673_18800" class="yiv3513290344signature"><font id="yui_3_16_0_1_1421665160673_18851" size="2"><font id="yui_3_16_0_1_1421665160673_18852" face="times new roman, new york, times, serif">..<br>Isaac Wiafe Boateng |Graduate Student <br>Department of Chemistry, Theoretical and Computational Chem. Lab<br>KNUST, Kumasi - Ghana<br>+233 (0) 275 632712<br>Alt. e-mail: boatengisaacwiafe@gmail.com<br></font></font></div></div></div></div></body></html>