<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div id="yiv1469162115"><div><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt;"><div id="yiv1469162115"><div id="yiv1469162115yui_3_16_0_1_1404248394431_2952"><div id="yiv1469162115yui_3_16_0_1_1404248394431_2951" class="yiv1469162115yui_3_16_0_1_1404248394431_2945" style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt;"><div id="yiv1469162115yui_3_16_0_6_1404181210275_4"><span></span></div><div id="yiv1469162115yui_3_16_0_6_1404181210275_6">Dear All,<br> <br></div>I am plotting a projected density of states for LaFeO3 system but realized that from literature (eg. Ritzmann et al., 2013 Chem. Mater. 25,
3011-3019) the La atom contribution to the total density of states was neglected. <br>Can anyone kindly help me understand why they were ignored and also why only the valence orbitals of O and Fe were considered. Thanks<br><br>Best Regards<br><br><br>....<br>Isaac Wiafe Boateng<br>MPhil Student<br>Computational and Theoretical Chemistry Lab<br>KNUST, Ghana<br></div></div></div></div></div></div></div></body></html>