The first think to note is that emails should go to the list, not private email addresses (unless someone asks you to).<div><br></div><div>The typical RMT via setrmt for Co is around 1.8, your value is too small. Use some viewer to look at the atom distances of your case.struct, e.g. Xcrygen, Vesta, Crystalmaker, Jmol, Atoms.<br>
<br>On Sunday, August 24, 2014, Minghao Zhang <<a href="mailto:miz016@eng.ucsd.edu">miz016@eng.ucsd.edu</a>> 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 dir="ltr">Hi Laurence,
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<div>Since I'm a new hand with WIEN2K calculation, may you tell me what do you mean "a factor of two" and can you suggest there is a method to set reasonable value for Li Co and O atom?</div>
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<div>Thanks a lot and Best regards,<br clear="all">
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-- <br>
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Minghao, Zhang, Graduate Student.</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">Department of NanoEngineering</span><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">
<span style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:13px;background-color:rgb(255,255,255)">University of California, San Diego</span>
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</blockquote></div><br><br>-- <br><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a><div>
Corrosion in 4D: <a href="http://MURI4D.numis.northwestern.edu" target="_blank">MURI4D.numis.northwestern.edu</a><br>Co-Editor, Acta Cryst A<br>"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</div></div><br>