<DIV>It's no problem to plot E vs volume with w2web, but when i try to plot the E vs c/a, it said:'sorry, we are not in c/a plot mode.' I wonder maybe we can't do this with wien2k, for we have no example in our guide book, only a E vs volume curve in p30.<BR><BR><B><I>Jorissen Kevin <Kevin.Jorissen@ua.ac.be></I></B> wrote:
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">w2web makes the plot for you, I think it even fits a parabola to your results and from that estimates the minimum.<BR><BR>Kevin.<BR><BR><BR>-----Original Message-----<BR>From: ?ffffb4?ffffe4?ffffd3?fffff1 ?ffffb9?ffffa2 [mailto:cygeng77@yahoo.com.cn]<BR>Sent: Tue 4/20/2004 1:15 PM<BR>To: wien@zeus.theochem.tuwien.ac.at<BR>Cc: <BR>Subject: [Wien] E vs c/a<BR><BR>Dear all:<BR>I wonder how to do the c/a plot? I mean how to determine the c/a that corresponding to the minimum E? Thanks in advance.<BR>regards<BR><BR><BR><BR>---------------------------------<BR>Do You Yahoo!?<BR>??TT???,???,???!<BR><BR><BR><BR><BR>> ATTACHMENT part 2 application/ms-tnef name=winmail.dat<BR></BLOCKQUOTE></DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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