<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:14px"><div id="yui_3_16_0_ym19_1_1466753982516_7126"><div id="yui_3_16_0_ym19_1_1466753982516_7112">Dear all</div><div id="yui_3_16_0_ym19_1_1466753982516_7113"><br id="yui_3_16_0_ym19_1_1466753982516_7114"></div><div id="yui_3_16_0_ym19_1_1466753982516_7115"> I have calculated the band structure of PaO2 in the antiferromgnetic with GGAand with GGA+U </div><div id="yui_3_16_0_ym19_1_1466753982516_7116">I get a metallic </div><div id="yui_3_16_0_ym19_1_1466753982516_7117"><br id="yui_3_16_0_ym19_1_1466753982516_7118"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1466753982516_7119">when, I use GGA+U+SO, I got a very good value for gap between a maximum band valence and minimum band conductor , Iget a semicondictor .</div><div dir="ltr" id="yui_3_16_0_ym19_1_1466753982516_7120"><br id="yui_3_16_0_ym19_1_1466753982516_7121"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1466753982516_7122">I HAVE question about the spin orbit coupling (CSO) </div><div dir="ltr" id="yui_3_16_0_ym19_1_1466753982516_7123"><br id="yui_3_16_0_ym19_1_1466753982516_7124"></div><div dir="ltr" id="yui_3_16_0_ym19_1_1466753982516_7125">Is the reason for the a gap is spin orbit coupling ( spin orbit gives us the gap) </div></div></div></body></html>