<div>Dear all</div><div>There seems to be two procedures of calculating MAE in QE: 1)setting a starting_magnetization that is close to the desire axis and doing a full SCF; 2)using constraint on the direction of magnetic moments. However, these two methods do not give the same numbers. So which one ought to be used?</div><div><br></div><div><br></div><div><sign signid="99"><div style="color:#909090;font-family:Arial Narrow;font-size:12px"><br><br><br><br>------------------</div><div style="font-size:14px;font-family:Verdana;color:#000;"><div><div class="logo" style="width:305px;height:35px;line-height:35px;margin:20px 0 0 0;"><img src="https://exmail.qq.com/cgi-bin/viewfile?type=logo&domain=sustc.edu.cn"></div><div class="c_detail" style="margin:10px 0 0 0;"><h4 class="name" style="margin:0;font-size:14px;font-weight:bold;line-height:28px;zoom:1;">庞瑞(PANG Rui)</h4><p class="position" style="margin:0;line-height:22px;color:#a0a0a0;"></p><p class="department" style="margin:0;line-height:22px;color:#a0a0a0;">South University of Science and Technology of China/Department of Physics</p><p class="department" style="margin:0;line-height:22px;color:#a0a0a0;">No.1088,Xueyuan Road, Shenzhen,Guangdong<br></p><p class="phone" style="margin:0;line-height:22px;color:#a0a0a0;"></p></div></div></div></sign></div><div> </div><div><includetail><!--<![endif]--></includetail></div>