<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:14px"><div dir="ltr"><span>hi</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>how can I parallel my pc?</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>please help me.</span></div><div style="color: rgb(0, 0, 0); font-size: 14px; font-family: HelveticaNeue,Helvetica Neue,Helvetica,Arial,Lucida Grande,sans-serif; background-color: transparent; font-style: normal;" dir="ltr"><span>thanks</span></div><div> </div><div><div dir="ltr">-- <br></div><div dir="ltr">Mona Rahimian
MSc Student<br></div><div dir="ltr">Physics Department,<br></div><div dir="ltr">College of Sciences<br></div><div dir="ltr">Shiraz University, Shiraz, Iran<br></div><div dir="ltr">E-mail address:rahimian91@ymail.com <br></div></div><div><br></div> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 14px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif; font-size: 16px;"> <div dir="ltr"> <hr size="1"> <font face="Arial" size="2"> <b><span style="font-weight:bold;">From:</span></b> Gavin Abo <gsabo@crimson.ua.edu><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Tuesday, 11 November 2014, 1:10:53<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien]
relaxation<br> </font> </div> <div class="y_msg_container"><br><div id="yiv3088616259"><div>
<div class="yiv3088616259moz-cite-prefix">Probably nobody can help, unless you
provide your case.struct file. More than likely, the errors are
caused by a problem with your case.struct.<br clear="none">
<div class="qtdSeparateBR"><br><br></div><div class="yiv3088616259yqt6636286494" id="yiv3088616259yqtfd16847"><br clear="none">
On 11/11/2014 1:16 AM, Mona Rahimian wrote:<br clear="none">
</div></div><div class="yiv3088616259yqt6636286494" id="yiv3088616259yqtfd44219">
<blockquote type="cite">
<div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:14px;">
<div dir="ltr"><span>hi friend</span></div>
<div dir="ltr" style="color:rgb(0, 0, 0);font-size:14px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;background-color:transparent;font-style:normal;"><span>I do your suggestions, but I have
same errors.</span></div>
<div dir="ltr" style="color:rgb(0, 0, 0);font-size:14px;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;background-color:transparent;font-style:normal;"><span>in your openion , what should I do?<img alt="*:( sad" title="*:( sad"></span></div>
<div> </div>
<div>
<div dir="ltr">-- <br clear="none">
</div>
<div dir="ltr">Mona Rahimian MSc Student<br clear="none">
</div>
<div dir="ltr">Physics Department,<br clear="none">
</div>
<div dir="ltr">College of Sciences<br clear="none">
</div>
<div dir="ltr">Shiraz University, Shiraz, Iran<br clear="none">
</div>
<div dir="ltr">E-mail <a rel="nofollow" shape="rect" class="yiv3088616259moz-txt-link-abbreviated" ymailto="mailto:address:rahimian91@ymail.com" target="_blank" href="mailto:address:rahimian91@ymail.com">address:rahimian91@ymail.com</a> <br clear="none">
</div>
</div>
<div><br clear="none">
</div>
<div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:14px;">
<div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px;">
<div dir="ltr">
<hr size="1"> <font face="Arial" size="2"> <b><span style="font-weight:bold;">From:</span></b>
delamora <a rel="nofollow" shape="rect" class="yiv3088616259moz-txt-link-rfc2396E" ymailto="mailto:delamora@unam.mx" target="_blank" href="mailto:delamora@unam.mx"><delamora@unam.mx></a><br clear="none">
<b><span style="font-weight:bold;">To:</span></b> A
Mailing list for WIEN2k users
<a rel="nofollow" shape="rect" class="yiv3088616259moz-txt-link-rfc2396E" ymailto="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a> <br clear="none">
<b><span style="font-weight:bold;">Sent:</span></b>
Monday, 10 November 2014, 6:20:31<br clear="none">
<b><span style="font-weight:bold;">Subject:</span></b>
Re: [Wien] relaxation (was:_nb in dscgst.F 256 128)<br clear="none">
</font> </div>
<div class="yiv3088616259y_msg_container"><br clear="none">
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<div id="yiv3088616259divtagdefaultwrapper" style="font-size:12pt;color:#000000;background-color:#FFFFFF;font-family:Calibri, Arial, Helvetica, sans-serif;">
<div>Dear Mona,</div>
<div> Now you have a relaxed supercell, that
is no longer a supercell, in the sense that it is
relaxed, the atoms have moved and you have no
translation symmetry within the cell.</div>
<div> You need to reinitiate the system, the
Rmt need to be adjusted to 0% reduction to reduce
the calculation time. You have problems with
<>.inst, so remove it and it will be created
in the reinitiation.In the reinitiation you will
need to put again the atomic magnetic
orientations; up, down or no magnetic.</div>
<div><br clear="none">
</div>
<div> Saludos</div>
<div><br clear="none">
</div>
<div><br clear="none">
</div>
<div> Pablo<br clear="none">
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
<br clear="none">
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