<html><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_1_1404620458445_88499">Dear all</div><div id="yui_3_16_0_1_1404620458445_88498" dir="ltr"><br></div><div id="yui_3_16_0_1_1404620458445_88559" dir="ltr">I'm working on magnetic heusler alloys include Co,Ni,Fe,Ga.</div><div id="yui_3_16_0_1_1404620458445_88526" dir="ltr">When I calculate volume optimization ,get the semicore band ranges too large in 2nd volume.<br></div><div id="yui_3_16_0_1_1404620458445_88534" dir="ltr">I use muffin tin spheres Co,Fe,Ni=2a.u. , Ga=2.2a.u. ,and energy separation between core and valence=-6Ry.</div><div id="yui_3_16_0_1_1404620458445_88535" dir="ltr">Please help me for this error.</div><div dir="ltr"><br></div><div dir="ltr">Best Regards</div><div dir="ltr">Leyla<br></div><div></div></div></body></html>