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<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Have you completed the optimize.job? <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Use <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>W2web--</span></font><font size=2 face=Wingdings><span
style='font-size:11.0pt;font-family:Wingdings'>à</span></font><font size=2><span
style='font-size:11.0pt'>optimize-</span></font><font size=2 face=Wingdings><span
style='font-size:11.0pt;font-family:Wingdings'>à</span></font><font size=2><span
style='font-size:11.0pt'>Plot (ene vs volume) to see the plot <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Alternatively, use <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'>Grep –e:ENE case___0.0.scf for getting energy for each percentage
change in volume and use any plotter program <o:p></o:p></span></font></p>
<p class=MsoNormal><font size=2 face="Times New Roman"><span style='font-size:
11.0pt'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><b><font size=2 face=Tahoma><span style='font-size:10.0pt;
font-family:Tahoma;font-weight:bold'>From:</span></font></b><font size=2
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma'>
wien-bounces@zeus.theochem.tuwien.ac.at [mailto:wien-bounces@zeus.theochem.tuwien.ac.at]
<b><span style='font-weight:bold'>On Behalf Of </span></b><st2:PersonName
w:st="on"><st1:GivenName w:st="on">Jose</st1:GivenName> <st1:middlename w:st="on">Alfredo</st1:middlename>
<st1:middlename w:st="on">Camargo</st1:middlename> <st1:Sn w:st="on">Martinez</st1:Sn></st2:PersonName><br>
<b><span style='font-weight:bold'>Sent:</span></b> Friday, May 06, 2011 4:01 AM<br>
<b><span style='font-weight:bold'>To:</span></b> <st1:GivenName w:st="on">Wien2K</st1:GivenName><br>
<b><span style='font-weight:bold'>Subject:</span></b> [<st1:Sn w:st="on">Wien</st1:Sn>]
Problem with "Volumen Optimization "</span></font><o:p></o:p></p>
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<p class=MsoNormal><font size=3 face="Times New Roman"><span style='font-size:
12.0pt'><o:p> </o:p></span></font></p>
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<p class=MsoNormal><font size=2 color=black face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:black'>Hi<br>
<br>
To calculate "Volume Optimization", I follow the procedure set out in
page 28 of the user guide, but I get no graphics.<br>
<br>
I use Wien2k_11.<br>
<br>
What is correct procedure?<br>
<br>
Thanks<o:p></o:p></span></font></p>
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<p class=MsoNormal><font size=2 color=black face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:black'> <o:p></o:p></span></font></p>
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<p class=MsoNormal><st2:PersonName w:st="on"><st1:GivenName w:st="on"><i><font
size=2 color=black face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:black;font-style:italic'>José</span></font></i></st1:GivenName><i><font
size=2 color=black face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:black;font-style:italic'> <st1:middlename w:st="on">A.</st1:middlename> <st1:Sn
w:st="on">Camargo</st1:Sn></span></font></i></st2:PersonName><font size=2
color=black face=Arial><span style='font-size:10.0pt;font-family:Arial;
color:black'><o:p></o:p></span></font></p>
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