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<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>Dear Wien2K users,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'> I would like to
reproduce some of the LDA+U Wien2k calculations that appeared in</span></font><o:p></o:p></p>
<p class=MsoNormal style='text-autospace:none'><font size=2
face="Times New Roman"><span style='font-size:11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><i><font size=3 face="Times New Roman"><span
style='font-size:12.0pt;font-style:italic'>Comment on "Taming multiple
valency with density functionals: A case study of defective ceria"<br>
</span></font></i><font size=2 color=maroon><span style='font-size:11.0pt;
color:maroon'>Georg Kresse, Peter Blaha, <st1:place w:st="on">Juarez</st1:place>
L. F. Da Silva and M. Veronica Ganduglia-Pirovano.</span></font><br>
<a
href="http://link.aip.org/link/?&l_creator=getabs-normal&l_dir=FWD&l_rel=REPLY&from_key=PRBMDO000072000023237102000001&from_keyType=CVIPS&from_loc=AIP&to_j=PRBMDO&to_v=72&to_p=237101&to_loc=APS&to_url=http%3A%2F%2Flink.aps.org%2Fabstract%2FPRB%2Fv72%2Fe237101">Phys.
Rev. B <b><span style='font-weight:bold'>72</span></b>, 237101 (2005)</a> <o:p></o:p></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>Does anyone know if the <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>[1] ---.struct files for Ce2O3 and CeO2<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>[2] Ce2O3.inst<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'> that were employed in this <i><span
style='font-style:italic'>Comment</span></i> are available, and if so, how they
may be obtained?<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>Thanks very much,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>Patrick</span></font><font size=2><span
style='font-size:10.0pt'><ns0:PersonName w:insAuthor="nsh"
w:insDate="2006-07-12T15:45:00Z" w:endInsAuthor="nsh"
w:endInsDate="2006-07-12T15:45:00Z"
ns1:style="BACKGROUND-POSITION: left bottom; BACKGROUND-IMAGE: url(res://ietag.dll/#34/#1001); BACKGROUND-REPEAT: repeat-x"
ns1:tabIndex="0"><font size=2 color=maroon><span style='font-size:11.0pt;
color:maroon'> Nash</span></font><u style='text-decoration:none'><span
class=msoIns><ins cite="mailto:nsh" datetime="2006-07-12T15:45"></ns0:PersonName></ins></span></u></span></font><font
size=2 color=maroon><span style='font-size:11.0pt;color:maroon'><o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 color=maroon face="Times New Roman"><span
style='font-size:11.0pt;color:maroon'>Department of Physics and Astronomy<br>
</span></font><font size=2><span style='font-size:10.0pt'><ns0:PlaceType
w:insAuthor="nsh" w:insDate="2006-07-12T15:45:00Z" w:endInsAuthor="nsh"
w:endInsDate="2006-07-12T15:45:00Z"><st1:PlaceType w:st="on"><font size=2
color=maroon><span style='font-size:11.0pt;color:maroon'>University</span></font></st1:PlaceType><u
style='text-decoration:none'><span class=msoIns><ins cite="mailto:nsh"
datetime="2006-07-12T15:45"></ns0:PlaceType></ins></span></u></span></font><font
size=2 color=maroon><span style='font-size:11.0pt;color:maroon'> of </span></font><font
size=2><span style='font-size:10.0pt'><ns0:PlaceName w:insAuthor="nsh"
w:insDate="2006-07-12T15:45:00Z" w:endInsAuthor="nsh"
w:endInsDate="2006-07-12T15:45:00Z"><st1:PlaceName w:st="on"><font size=2
color=maroon><span style='font-size:11.0pt;color:maroon'>Texas</span></font></st1:PlaceName><u
style='text-decoration:none'><span class=msoIns><ins cite="mailto:nsh"
datetime="2006-07-12T15:45"></ns0:PlaceName></ins></span></u></span></font><font
size=2 color=maroon><span style='font-size:11.0pt;color:maroon'> at </span></font><font
size=2><span style='font-size:10.0pt'><ns0:City w:insAuthor="nsh"
w:insDate="2006-07-12T15:45:00Z" w:endInsAuthor="nsh"
w:endInsDate="2006-07-12T15:45:00Z"><ns0:place w:insAuthor="nsh"
w:insDate="2006-07-12T15:45:00Z" w:endInsAuthor="nsh"
w:endInsDate="2006-07-12T15:45:00Z"><st1:place w:st="on"><st1:City w:st="on"><font
size=2 color=maroon><span style='font-size:11.0pt;color:maroon'>San Antonio</span></font></st1:City></st1:place><u
style='text-decoration:none'><span class=msoIns><ins cite="mailto:nsh"
datetime="2006-07-12T15:45"></ns0:place></ins></span></u></ns0:City></span></font><font
size=2 color=maroon face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:maroon'><br>
</span></font><a href="mailto:Patrick.NaPatrick.Nash@utsa.edu"
title="mailto:pnash@utsa.edu"><font size=2 face=Arial><span style='font-size:
10.0pt;font-family:Arial'>Patrick.Nash@utsa.edu</span></font></a><font
color=maroon><span style='color:maroon'><o:p></o:p></span></font></p>
<p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto'><font
size=3 color=maroon face="Times New Roman"><span style='font-size:12.0pt;
color:maroon'> </span></font><o:p></o:p></p>
<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
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