<div dir="ltr">Thank you.<br><br>I used the previous version of Wien2k.<br><br>I shopuld update to Wien2k 12.1<br><br><br><div class="gmail_quote">On Tue, Dec 11, 2012 at 9:32 AM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div>When I enter your parameters into
StructGen of Wien2k 12.1 and do Reduce RMT by 2%, I get the
attached struct file. The RMT is 2.5 for Sn and 2.13 for S. I'm
not sure why you got zero. I'm not familar with the structure, so
please check in xcrysden whether the structure looks correct.
Kind regards.<div><div class="h5"><br>
<br>
On 12/10/2012 10:56 PM, Osama Yassin wrote:<br>
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<blockquote type="cite"><div><div class="h5">
<div dir="ltr">Dear Wien2k user,,<br>
<br>
In literature SnS2 is reported to be a hexagonal with SG: P-3m1
(No. 164). Sn and S have the coordinates (0,0,0) and (2/3, 1/3,
z=0.25), respectively. The lattice parameters are 3.648 and
5.899 A. Upon automatically setting the RMT, I got RMT for S
atom equals zero.<br>
<br>
May you please explain why I got zero value and how to sort out
this problem.<br clear="all">
<br>
-- <br>
<div dir="ltr">
<div><b><span style="font-size:28pt;line-height:42px"><u><font face="'Kunstler Script'">Osama </font></u></span></b></div>
<div><b><span>Prof Dr
Osama Ali Yassin </span></b><b><span> </span></b><font size="4"><b><font face="tahoma, sans-serif"> </font><font face="georgia,
serif"> </font><font face="'comic sans ms',
sans-serif"> </font></b></font></div>
<div><b style="font-family:'courier new',monospace"><i>Professor
of Solid State Physics and ICTP regular associate</i></b></div>
<div><font face="'courier new', monospace"><b><i>Department of
Physics, Faculty of Science</i></b></font><br>
<b><font color="#000099">Taibah University, A-Madinah
Al-Munawarh, K. Saudi Arabia</font> </b>
<div><b><br>
</b></div>
</div>
</div>
<br>
</div>
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<br></blockquote></div><br><br clear="all"><br>-- <br><div dir="ltr"><div><b><span style="font-size:28pt;line-height:42px"><u><font face="'Kunstler Script'">Osama </font></u></span></b></div><div><b><span style="font-size:28pt;line-height:115%;font-family:'Brush Script MT'">Prof Dr
Osama Ali Yassin </span></b><b><span style="font-size:28pt;line-height:115%;font-family:'Brush Script MT'"> </span></b><font size="4"><b><font face="tahoma, sans-serif"> </font><font face="georgia, serif"> </font><font face="'comic sans ms', sans-serif"> </font></b></font></div>
<div><b style="font-family:'courier new',monospace"><i>Professor of Solid State Physics and ICTP regular associate</i></b></div><div><font face="'courier new', monospace"><b><i>Department of Physics, Faculty of Science</i></b></font><br>
<b><font color="#000099">Taibah University, A-Madinah Al-Munawarh, K. Saudi Arabia</font> </b><div><b><br></b></div></div></div><br>
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