<div dir="ltr"><div>Dear  Professors  Gavin , Blaha  
<span class="gmail-sender gmail-italic">Dobysheva</span></div><div><br></div><div>Thank you all for  the kind advice and the clear  clarifications.</div><div>The wonderful cif2struct script gave two direction  and now I am sure about the 
<tt> 166 R-3m space group.
</tt>

</div><div></div><div>As Prof. Blaha  advice I will start by   optimizing the DyFe3 <br></div><div>and see how it work</div><div><br></div><div>  Thank you <br></div></div><div id="DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br>
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</table><a href="#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2" width="1" height="1"></a></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Mar 28, 2019 at 11:24 PM sherif Yehia <<a href="mailto:sherifyehia2017@gmail.com">sherifyehia2017@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div dir="ltr">Dear  Users and experts<br><br>   I am interested in calculating magnetic properties for DyFe3 found two sources for the DyFe3.cif <br></div><div dir="ltr"><br></div><div dir="ltr">  1- got DyFe3.cif file from<br><br>   <a href="http://07110yoph.1104.y.https.materials.springer.com.mplbci.ekb.eg/isp/crystallographic/docs/sd_0251244" target="_blank">http://07110yoph.1104.y.https.materials.springer.com.mplbci.ekb.eg/isp/crystallographic/docs/sd_0251244</a>    (Attached)<br><br>    I used cif2sruct to  get the strucutre file      DyFe3.struct<br>   <br>   2- another .cif file from  <br><br>    DyFe3_mp-1101819_symmetrized.cif <br><br>   <a href="https://materialsproject.org/materials/mp-1101819/#" target="_blank">https://materialsproject.org/materials/mp-1101819/#</a>  (Attached )<br>        <br>    I used cif2sruct to  get the strucutre file <br><br>    DyFe3_mp-1101819_symmetrized.struct<br><br>  My  question is  why they are not the same <br>   I hope you can point my mistake <br>  <br>   Thank you all for the help <br></div></div>
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