<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt"><div style="display: block;" class="yahoo_quoted"><div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 12pt;"><div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 12pt;"> Dear Oleg Rubel,<div class="y_msg_container"><div id="yiv9613850655"><div><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt;"><div id="yiv9613850655"><div><div class="yiv9613850655" style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt;"><div id="yiv9613850655"><div id="yiv9613850655yui_3_13_0_1_1383483904097_13200"><div
id="yiv9613850655yui_3_13_0_1_1383483904097_13199" class="yiv9613850655" style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:12pt;"><div id="yiv9613850655yui_3_13_0_7_1383483904097_10"><div class="yiv9613850655" id="yiv9613850655yui_3_13_0_9_1383410227183_35" style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><br clear="none"></div><div class="yiv9613850655" id="yiv9613850655yui_3_13_0_9_1383410227183_37" style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;">Thank you very much for your reply i really appreciate it,</div><div class="yiv9613850655" id="yiv9613850655yui_3_13_0_9_1383410227183_44" style="color:rgb(0, 0,
0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;"><br id="yiv9613850655yui_3_13_0_9_1383410227183_49" clear="none"></div><div class="yiv9613850655" id="yiv9613850655yui_3_13_0_9_1383410227183_46" style="color:rgb(0, 0, 0);font-size:16px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;background-color:transparent;font-style:normal;">I have calculated the BiCoO3
with LSDA+U because this kind of material is strongly correlated whith localized 3d of Cobalt.<br clear="none"><br clear="none">So, this compound is insulator, and this material is AFM-C,<br clear="none"><br clear="none">How
can I calculate spontaneous polarization ? whith "LSDA+U and
antiferromagnetic state (AFM-C)" or "LSDA and Non-Mgnetic state (NM)".<br clear="none"> <br clear="none"></div>Cordially </div><div id="yiv9613850655yui_3_13_0_7_1383483904097_12">-------------------------------------------------------<br>Mostefa DJERMOUNI<br>Modeling and Simulation in Materials Science Laboratory<br>University of Sidi Bel-Abbes<br>22000 Sidi Bel-Abbes, Algeria<br>Tel: +213 795 626 105<br>-------------------------------------------------------</div></div></div></div></div></div></div></div></div></div><br><br></div> </div> </div> </div> </div></body></html>