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<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">Dear Prof.Blaha<br>
*       I am running wien version 13 on a machine of type 8
cores with<br>
operating system Linux version 3.1.0-7.fc16.x86_64 , fortran compiler<br>
ifort and math libraries cc.<br>
*       The purpose of my calculations is to get quantity
structure and optic.<br>
*       I am</span><span style="font-size:10pt;font-family:"Times New Roman","serif"">
</span><span style="font-family:"Times New Roman","serif"">running</span><span style="font-size:10pt;font-family:"Times New Roman","serif""> supercell of KTiOPO4</span><span style="font-family:"Times New Roman","serif"">
using the attachment files but I got Error in DSTART:</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif""> </span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">Error in DSTART</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">'ROTDEF' - no symmetry operation found.</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">'ROTDEF' - for jatom, index 1 2</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">'ROTDEF' - atomposition of jatom 0.3745698<span style="mso-spacerun:yes">  </span><span style="mso-spacerun:yes"> </span>0.7784930<span style="mso-spacerun:yes">  
</span>0.3455791</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">'ROTDEF' - atomposition of index 0.6254302 <span style="mso-spacerun:yes">  </span>0.2215070<span style="mso-spacerun:yes">  
</span>0.0955792</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif""> </span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="font-family:"Times New Roman","serif"">I have SEARCHED the archives AND READ THE USERS
GUIDE and the FAQ<br>
pages, but I couldn't solve my problem that way.<br style="mso-special-character:
line-break">
<br style="mso-special-character:line-break">
</span></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><a name="OLE_LINK10"></a><a name="OLE_LINK9"><span style="mso-bookmark:OLE_LINK10"><span style="font-family:"Times New Roman","serif"">Please help me</span></span></a></p>

<p class="MsoNormal" style="margin-bottom:0.0001pt;line-height:normal"><span style="mso-bookmark:
OLE_LINK9"><span style="mso-bookmark:OLE_LINK10"><span style="font-family:"Times New Roman","serif"">Best
Regards,</span></span></span></p>

<span style="mso-bookmark:OLE_LINK10"></span><span style="mso-bookmark:OLE_LINK9"></span>

<p class="MsoNormal"><span style="font-family:"Times New Roman","serif""> </span></p>

<p class="MsoNormal"><span style="font-family:"Times New Roman","serif""> </span></p>

<br clear="all"><br>-- <br><div class="gmail_signature">Marzieh Ghoohestani<br>PhD Student of Computational Nano Physics<br>Nano Research Center, Department of Physics<br>University of Technology, Isfahan, Iran<br><br></div>
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