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<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>Dear prof. Balaha , and Wien user</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>Hi-</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>I am using the structural parameters for the orthorhombic phase of CaTiO3 materials</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>according the following table:</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>Ca: 0.003, 0.519, 0.25</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>Ti:<SPAN style="mso-spacerun: yes"> </SPAN>0.0,<SPAN style="mso-spacerun: yes"> </SPAN>0.0, 0.0</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>O1 -0.055, -0.008, 0.25</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>O2 0.2177, 0.2802, 0.25</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>62 (Pbnm)</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>The wien2k programme changes the space group to 1P1.</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt 36pt; TEXT-INDENT: -18pt; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt"><FONT face="Times New Roman"><SPAN style="mso-fareast-font-family: 'Times New Roman'"><SPAN style="mso-list: Ignore"><FONT size=3>1-</FONT><SPAN style="FONT: 7pt 'Times New Roman'"> </SPAN></SPAN></SPAN><SPAN dir=ltr><FONT size=3>I wonder, if possible, could you please let me know what is wrong.</FONT></SPAN></FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt 36pt; TEXT-INDENT: -18pt; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt"><FONT face="Times New Roman"><SPAN style="mso-fareast-font-family: 'Times New Roman'"><SPAN style="mso-list: Ignore"><FONT size=3>2-</FONT><SPAN style="FONT: 7pt 'Times New Roman'"> </SPAN></SPAN></SPAN><SPAN dir=ltr><FONT size=3>Is there any website to give more information about structural parameters?</FONT></SPAN></FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT face="Times New Roman" size=3>Best Wishes</FONT></P>
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt"><FONT size=3><FONT face="Times New Roman">B. Ahmadi<SPAN style="mso-spacerun: yes"> </SPAN></FONT></FONT></P></DIV><p>
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