<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1457720613170_2514">Hello QE users,</div><div dir="ltr" id="yui_3_16_0_1_1457720613170_2646">I need to know what is the difference between the values of magnetic moments calculating in the last step of relaxation using "relax" or "scf" and when I use projwfc.x?</div><div id="yui_3_16_0_1_1457720613170_2819" dir="ltr">From "scf" run, in the last step I got this:</div><div id="yui_3_16_0_1_1457720613170_2827" dir="ltr"><b id="yui_3_16_0_1_1457720613170_3126"><font id="yui_3_16_0_1_1457720613170_3110" color="#cd232c">atomic mag. moment = 3.725538</font></b></div><div id="yui_3_16_0_1_1457720613170_2878" dir="ltr">But from pdos run using projwfc.x, I got this:</div><div id="yui_3_16_0_1_1457720613170_2869" dir="ltr"> Atom # 29: total charge = 14.1859, s = 2.3272, p = 6.7980, d = 5.0606, <br> spin up = 9.0799, s = 1.2038, p = 3.4309, d = 4.4452, <br> spin down = 5.1060, s = 1.1235, p = 3.3671, d = 0.6155, <br> <font id="yui_3_16_0_1_1457720613170_3095" color="#cd232c"><b id="yui_3_16_0_1_1457720613170_3094"> polarization = 3.9739</b></font>, s = 0.0803, p = 0.0638, d = 3.8297,</div><div dir="ltr"><br></div><div id="yui_3_16_0_1_1457720613170_3136" dir="ltr">Thank you</div><div id="yui_3_16_0_1_1457720613170_3144" dir="ltr">Jaret</div><div dir="ltr">ASU<br></div></div></body></html>