<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_1439999144523_2483">Dear sir,</div><div id="yui_3_16_0_1_1439999144523_2518">I am trying to work on Ni-Zn ferrite regarding magnetic moment and band structure and DOS</div><div id="yui_3_16_0_1_1439999144523_2615"><br></div><div id="yui_3_16_0_1_1439999144523_2616" dir="ltr">i used .cif file for writing atomic positions and wrote input file</div><div dir="ltr">when i tried to run the code it is giving the following error<br><span></span></div><div id="yui_3_16_0_1_1439999144523_2517"><br><span></span></div><br class=""><div id="yui_3_16_0_1_1439999144523_2453"><br class=""> Error in routine cdiaghg (348):<br class=""> S matrix not positive definite<br class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br class=""><div id="yui_3_16_0_1_1439999144523_2617" dir="ltr"> stopping ...</div><div dir="ltr"><br></div><div dir="ltr">i am attaching the input and output files for your kind reference.</div><div id="yui_3_16_0_1_1439999144523_2618" dir="ltr"><br></div><div dir="ltr">can anyone tell me where i did wrong?</div><div id="yui_3_16_0_1_1439999144523_2619" dir="ltr">Thanks in advance</div><div dir="ltr">with kind regards<br></div><div id="yui_3_16_0_1_1439999144523_2620" dir="ltr"><br></div></div><div id="yui_3_16_0_1_1439999144523_2312" class="signature"><div id="yui_3_16_0_1_1439999144523_2452"><font id="yui_3_16_0_1_1439999144523_2451" color="#ff007f" face="comic sans ms"><font id="yui_3_16_0_1_1439999144523_2450" color="#c00000">Chaitanya</font> <font color="#0000ff">Varma</font> <font color="#7f003f">M</font></font></div> <div id="yui_3_16_0_1_1439999144523_2311"><div id="yui_3_16_0_1_1439999144523_2621"> Assistant professor</div><div id="yui_3_16_0_1_1439999144523_2622">Department of Physics</div><div id="yui_3_16_0_1_1439999144523_2623">GIT</div><div id="yui_3_16_0_1_1439999144523_2624">GITAM University</div><div id="yui_3_16_0_1_1439999144523_2625">Visakhapatnam</div><div id="yui_3_16_0_1_1439999144523_2626">India<br></div></div></div></div></body></html>