<DIV> Dear pwscf users,<BR> Recently, I have a problem about lattice parameter, and I search the whole email list, I do not find the answer, so I hope I could everyone's help. In many literatures, I found that many people have calculated theoretical lattice parameters, and then constructed various adsorption model according to theoretical lattice parameters. Here, I feel confused why people do not use experimental lattice parameters during the calculation? In my opinion, using experimental lattice parameters should be more appropriate. Any suggestion will be appreciated.</DIV>
<DIV> </DIV>
<DIV>Thank you in advance</DIV>
<DIV>best wishes</DIV>
<DIV>Lihui Ou</DIV>
<DIV> </DIV>
<DIV><BR>--<BR>
<DIV>
<DIV><FONT face="Arial" size="3">======================================</FONT></DIV>
<DIV><FONT face="Arial" size="3">Lihui Ou</FONT></DIV>
<DIV><FONT face="Arial" size="3">PH.D Candidate in Electrochemistry </FONT></DIV>
<DIV><FONT face="Arial" size="3">College of Chemistry and Molecular Science </FONT></DIV>
<DIV><FONT face="Arial" size="3">Wuhan University,<EM>430072</EM>,Hubei Province,China </FONT></DIV>
<DIV><EM><FONT face="Arial" size="3">E-mail:</FONT><A href="mailto:oulihui666@126.com" target="_blank"><FONT face="Arial" size="3">oulihui666@126.com</FONT></A></EM></DIV>
<DIV><FONT face="Arial" size="3">======================================</FONT></DIV></DIV></DIV><br><!-- footer --><br>
<hr>
<font style="font-size:12px;line-height:15px;">瑞星掀起免费风暴，</font><a style="font-size:12px;line-height:15px; color:blue; text-decoration:underline;" href="http://popme.163.com/link/004290_0422_5595.html">正版杀毒免费送半年</a>