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<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Try to change the global energy parameter in case.in1 file from the
default value of 0.30 to 0.90 or 1.0 <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>What is your RKmax? <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Hf would require around 8.00. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>What is the MT radius (RMT) in the struct file? <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>See by changing it to 2.5. <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Cheers <o:p></o:p></span></font></p>
<p class=MsoNormal><st1:GivenName w:st="on"><font size=2 face="Times New Roman"><span
style='font-size:11.0pt'>Suddhasattwa</span></font></st1:GivenName><font
size=2><span style='font-size:11.0pt'> <st1:Sn w:st="on">Ghosh</st1:Sn> <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'>
wien-bounces@zeus.theochem.tuwien.ac.at [mailto:wien-bounces@zeus.theochem.tuwien.ac.at]
<b><span style='font-weight:bold'>On Behalf Of </span></b><st2:PersonName
w:st="on"><st1:GivenName w:st="on">Pooja</st1:GivenName> <st1:Sn w:st="on">Rana</st1:Sn></st2:PersonName><br>
<b><span style='font-weight:bold'>Sent:</span></b> Saturday, December 26, 2009
1:59 PM<br>
<b><span style='font-weight:bold'>To:</span></b>
wien@zeus.theochem.tuwien.ac.at<br>
<b><span style='font-weight:bold'>Subject:</span></b> [<st1:Sn w:st="on">Wien</st1:Sn>]
QTL-B error</span></font><o:p></o:p></p>
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<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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<p class=MsoNormal><font size=3 face="Times New Roman"><span
style='font-size:12.0pt'>Respected sir,<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span
style='font-size:12.0pt'>during working on HfN,VN, i have faced a problem
LAPW2 QTL-B,ghost bands error, i tired of solving this.I have also
tried the solution given in FAQ of WIEN2K, but the problem remains as it
is,plz give me solution.<o:p></o:p></span></font></p>
</div>
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<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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<p class=MsoNormal><font size=3 face="Times New Roman"><span
style='font-size:12.0pt'>Thanks in advance.<br>
<br>
</span></font><em><i><font color="#00bf60" face=Arial><span style='font-family:
Arial;color:#00BF60'>Pooja Rana</span></font></i></em><em><i><font
face=Arial><span style='font-family:Arial'> </span></font></i></em><i><font
face=Arial><span style='font-family:Arial;font-style:italic'><br>
<em><i><font color=red face=Arial><span style='font-family:Arial;color:red'>Research
Scholar </span></font></i></em><font color=red><span style='color:red'><br>
</span></font><em><i><font color="#0080ff" face=Arial><span style='font-family:
Arial;color:#0080FF'>Condensed <st2:PlaceName w:st="on">Matter</st2:PlaceName>
<st2:PlaceName w:st="on">Theory</st2:PlaceName> <st2:PlaceName w:st="on">Group</st2:PlaceName></span></font></i></em><em><i><font
face=Arial><span style='font-family:Arial'> </span></font></i></em><br>
<st2:PlaceType w:st="on"><em><i><font color="#bf00bf" face=Arial><span
style='font-family:Arial;color:#BF00BF'>School</span></font></i></em></st2:PlaceType><em><i><font
color="#bf00bf" face=Arial><span style='font-family:Arial;color:#BF00BF'> of
Studies In <st2:PlaceName w:st="on">Physics</st2:PlaceName></span></font></i></em><em><i><font
face=Arial><span style='font-family:Arial'> </span></font></i></em><br>
<st2:PlaceName w:st="on"><em><i><font color="#82393c" face=Arial><span
style='font-family:Arial;color:#82393C'>Jiwaji</span></font></i></em></st2:PlaceName><em><i><font
color="#82393c" face=Arial><span style='font-family:Arial;color:#82393C'> <st2:PlaceType
w:st="on">University</st2:PlaceType>, <st2:City w:st="on">GWALIOR</st2:City>
- 474011 (<st1:GivenName w:st="on">M.P.</st1:GivenName>), <st2:country-region
w:st="on"><st2:place w:st="on">INDIA</st2:place></st2:country-region></span></font></i></em></span></font></i><o:p></o:p></p>
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<br>
<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'></hr>The INTERNET now has a personality. YOURS! <a
href="http://in.rd.yahoo.com/tagline_yyi_1/*http:/in.yahoo.com/" target="_blank">See
your Yahoo! Homepage</a>.<o:p></o:p></span></font></p>
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