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<div class="moz-cite-prefix">You can find information that can help
you with this error in the trouble shooting section of Wien2k
usersguide
[<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/textbooks/usersguide.pdf">http://www.wien2k.at/reg_user/textbooks/usersguide.pdf</a>], FAQ on
the Wien2k website [<a class="moz-txt-link-freetext" href="http://www.wien2k.at/reg_user/faq/qtlb.html">http://www.wien2k.at/reg_user/faq/qtlb.html</a>],
and by searching the mail archive
[<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/</a>].<br>
<br>
On 1/12/2014 10:06 AM, Muhammad Shafiq wrote:<br>
</div>
<blockquote
cite="mid:CAMYFTQ5rh851-b4PD=FV1d4t95SOsjoste9cHgnTUPk0Wum2zQ@mail.gmail.com"
type="cite">
<div dir="ltr">
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">Dear Wien2k users,</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px">
<span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">I run cubic LaS compound for elastic
properties at 0 GPa pressure, It running well. Then I run
LaS for pressure (5, 10 and 15) GaP follow user guide, all
the commands executed without any sort of error and without
any warning. the commands given below here</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif"><br>
</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px">
<span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">init_elast_pressure (bring the
elast.inelastp1 and make change accordingly for 5, 10 and 15
GPa)</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px">
<span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">cd elast</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">elast_setup_pressure (bring the
elast.inelastp2 to elast directory and make change
accordingly for iso, tet and trig structure)</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">cd preussure_1</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px">
<span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">./eos.job in pressure_1 directory</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">It gives error below</span></p>
<p class="MsoNormal"
style="margin-bottom:0.0001pt;font-family:arial,sans-serif;font-size:13px"><span
style="font-family:'Courier New'">Error in LAPW1</span></p>
<p class="MsoNormal"
style="margin-bottom:0.0001pt;font-family:arial,sans-serif;font-size:13px"><span
style="font-family:'Courier New'"> 'SELECT' - no energy
limits found for atom 1 L= 1 </span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-family:'Courier New'"> 'SELECT' - E-bottom
-3.22783 E-top -200.00000</span><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif"> </span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px"><span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">Please suggest me the remedy.</span></p>
<p class="MsoNormal"
style="font-family:arial,sans-serif;font-size:13px">
<span
style="font-size:12pt;line-height:18px;font-family:'Times
New Roman',serif">Thanks</span></p>
<div><br>
</div>
-- <br>
<i style="font-family:'times new roman','new
york',times,serif;font-size:16px;background-color:rgb(255,255,255)">Muhammad
Shafiq <br>
Ph. D. Scholar<br>
Department of Physics<br>
University of Malakand, Pakistan.<br>
Cell: <font color="#0000bf">+92-3018046800</font></i></div>
</blockquote>
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