<h1 dir="ltr" style="MARGIN: auto 0cm; TEXT-ALIGN: center" align="center"><font size="5"><font face="Helvetica"><span style="mso-bidi-language: FA"><span style="mso-spacerun: yes"> </span></span></font></font></h1>
<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><font face="Times New Roman"><span dir="ltr">Dear Prof Blaha & Wien users,</span><span lang="FA" style="mso-bidi-language: FA">
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<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><font face="Times New Roman"><span dir="ltr" style="mso-bidi-language: FA">I've got a question a bout ZnO:Mn supercell.</span>
<span lang="FA" style="mso-bidi-language: FA"></span></font></p>
<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><span dir="ltr" style="mso-bidi-language: FA"><font face="Times New Roman">I intend to calculate band structure of ZnO<sub>1-x</sub>
(Mn)<sub>x</sub>O (x=3.125% , (2*2*2)supercell).</font></span></p>
<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><span dir="ltr" style="mso-bidi-language: FA"><font face="Times New Roman">I did this band structure with the space group proposed by the Wien2k software,156, which is different from space group of ZnO(186). But it did not have a suitable result.
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<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><span dir="ltr" style="mso-bidi-language: FA"><font face="Times New Roman">Could you please let me know if you believe the problem arises from choosing a wrong space group?
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<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><span dir="ltr" style="mso-bidi-language: FA"><font face="Times New Roman">Furthermore do you think whether I need to do anti ferromagnetic calculation as well?
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<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><span dir="ltr" style="mso-bidi-language: FA"><font face="Times New Roman">Your faithfully </font></span></p>
<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left" align="right"><font face="Times New Roman"><span dir="ltr" style="mso-bidi-language: FA">Shabnam Haghdoust </span><span lang="FA" style="mso-bidi-language: FA">
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<p class="MsoNormal" dir="rtl" style="MARGIN: 0cm 0cm 0pt"><span lang="FA" style="mso-bidi-language: FA"><font face="Times New Roman"> </font></span></p>