<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 style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10648"><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10649">Dear Wien2k-users,<o:p id="yui_3_16_0_ym19_1_1471073975528_10650"></o:p></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10648"><span style="font-size:14.0pt;line-height:115%"><br></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10651"><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10652">Suppose I would like to study AB</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10653">0.6</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10654">C</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10655">0.4</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10656"> compound using AB structure and
replacing B atom with C atom.<o:p id="yui_3_16_0_ym19_1_1471073975528_10657"></o:p></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10651"><span style="font-size:14.0pt;line-height:115%"><br></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10658"><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10659">I could make AB</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10660">0.612</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10661">C</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10662">0.398</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10663"> structure using "supercell" program and AB structure.<o:p id="yui_3_16_0_ym19_1_1471073975528_10664"></o:p></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10658"><span style="font-size:14.0pt;line-height:115%"><br></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10665"><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10666">Can we say results of AB</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10667">0.6</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10668">C</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10669">0.4 </span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10670">will be the same as AB</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10671">0.612</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10672">C</span><span style="font-size:9.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10673">0.398</span><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10674"> ?<o:p id="yui_3_16_0_ym19_1_1471073975528_10675"></o:p></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10665"><span style="font-size:14.0pt;line-height:115%"><br></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10676"><span style="font-size:14.0pt;line-height:115%" id="yui_3_16_0_ym19_1_1471073975528_10677">With best,<o:p id="yui_3_16_0_ym19_1_1471073975528_10678"></o:p></span></div><div style="direction: ltr; unicode-bidi: embed;" id="yui_3_16_0_ym19_1_1471073975528_10676"><span style="font-size:14.0pt;line-height:115%"><br></span></div><div id="yui_3_16_0_ym19_1_1471073975528_10475" dir="ltr">
<span style="font-size:14.0pt;line-height:115%;font-family:"Calibri","sans-serif";mso-ascii-theme-font:minor-latin;mso-fareast-font-family:Calibri;mso-fareast-theme-font:minor-latin;mso-hansi-theme-font:minor-latin;mso-bidi-font-family:Arial;mso-bidi-theme-font:minor-bidi;mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:FA" id="yui_3_16_0_ym19_1_1471073975528_10679">Amir</span><br></div></div></body></html>