<html><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_1437059395246_5698">I am presently working on Ni-Zn ferrite doped with divalent and trivalent ions</div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr">i did work by synthesizing samples using sol-gel methods and did other experimental work.</div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr">now i am interested in giving explanation by doing DFT work.</div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr"><br></div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr">in this regard i want to how can two or more unit cells be selected (given) to do calculation</div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr"><br></div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr">one unit contains 56 atoms [8* (NiZn)Fe2O4- molecules- spinel phase]</div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr">if i doped like 0.04 Co2+ in place of Ni2+</div><div id="yui_3_16_0_1_1437059395246_5698" dir="ltr">i may need more unit cells to know the effect of Cobalt. since even small amount of cobalt is enough to change magnetic anisotropy drastically.</div><div></div><div id="yui_3_16_0_1_1437059395246_5702"> </div><div class="signature" id="yui_3_16_0_1_1437059395246_5822"><div id="yui_3_16_0_1_1437059395246_5821"><font color="#ff007f" face="comic sans ms"><font color="#c00000">Chaitanya</font> <font color="#0000ff">Varma</font> <font color="#7f003f">M</font></font></div> <div id="yui_3_16_0_1_1437059395246_5949"> </div></div></div></body></html>