<html><head></head><body><div class="ydp1ec1692byahoo-style-wrap" style="font-family:Helvetica Neue, Helvetica, Arial, sans-serif;font-size:16px;"><div dir="ltr" data-setdir="false">Hi Wien2k users,</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">I want to perform AFM calculations for double perovskite oxide La2FeNiO6</div><div dir="ltr" data-setdir="false">For this, I have a cubic 225-Fm3m structure. </div><div dir="ltr" data-setdir="false">My question is ..Do I need to flip the spin of Ni only during instgen_lapw -ask?</div><div dir="ltr" data-setdir="false">or should I make a supercell with two Fe and then choose spin up for one Fe and spin dn for second Fe.</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Need help for this</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false">Bushra</div><div dir="ltr" data-setdir="false"><br></div><div dir="ltr" data-setdir="false"> </div><div dir="ltr" data-setdir="false"><br></div><div><br></div><div class="ydp1ec1692bsignature"><font style="font-style:italic;text-decoration:underline;color:rgb(255, 0, 0);background-color:rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"><img src="http://mail.yimg.com/us.yimg.com/i/mesg/tsmileys2/01.gif" data-inlineimagemanipulating="true"></span></font><hr style="width:100%;min-height:2px;"><font style="font-style:italic;text-decoration:underline;color:rgb(255, 0, 0);background-color:rgb(160, 64, 255);" size="3"><span style="font-family:verdana, helvetica, sans-serif;"></span></font></div></div></body></html>