<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">Did you enter the structure correctly
into Wien2k for the R-3 spacegroup
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05100.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05100.html</a>]?<br>
<br>
Note: If you do cif2struct, setrmt, and save the structure in
StructGen, then you should see an incorrect structure with atoms
overlapping in xcrysden. On the hand, you could use Edit->Edit
Data->Unit Cell in VESTA [<a class="moz-txt-link-freetext" href="http://jp-minerals.org/vesta">http://jp-minerals.org/vesta</a>] to
change the cif file from space group setting 1 to 2. Then, use
cif2struct on the setting 2 cif file.<br>
<br>
On 11/16/2013 2:43 AM, kalsoom Khan wrote:<br>
</div>
<blockquote
cite="mid:1384595010.73340.YahooMailNeo@web163105.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:12pt">
<div>Dear All</div>
<div>In the attachment there is CIF file, i want to run the SCF
but i failed, so please some one help me that whats the
problem.</div>
<div>with regards</div>
<div>K.K khan</div>
</div>
</blockquote>
<br>
</body>
</html>