Dear  QE user, <div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word;"></div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">I just completed the DOS and Bands calculations for the (100) surface of a half metallic material.</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">The unrelaxed DOS shows the surface is half metallic while the unrelaxed band structure shows that it is a metal.</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word;"></div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">However, the relaxed DOS and band structure of this surface reflects metallic property.</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word;"></div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">I really do not understand why the unrelaxed DOS reflects half metallic and the bands structure does not complement the DOS.</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word;"></div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">I will sincerely appreciate any comment to help my understanding.</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word;"></div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">Thank you.</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word;"></div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">Jolayemi Omamuyovwi Rita</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">Research Student</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">University of Benin</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;">Nigeria</div><div id="yMail_cursorElementTracker_0.9007202455251893" style="overflow-wrap: break-word;"><br style="overflow-wrap: break-word; font-family: sans-serif;"></div><br><div id="ymail_android_signature"><a href="https://overview.mail.yahoo.com/mobile/?.src=Android">Sent from Yahoo Mail on Android</a></div>