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<div class="moz-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>
<br>
On 11/11/2014 1:16 AM, Mona Rahimian wrote:<br>
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<div dir="ltr"><span>hi friend</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>I do your suggestions, but I have
same errors.</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>in your openion , what should I do?<img
moz-do-not-send="true"
src="https://s.yimg.com/ok/u/assets/img/emoticons/emo2.gif"
alt="*:( sad" title="*:( sad"></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 <a class="moz-txt-link-abbreviated" href="mailto:address:rahimian91@ymail.com">address:rahimian91@ymail.com</a> <br>
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<div><br>
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<hr size="1"> <font face="Arial" size="2"> <b><span
style="font-weight:bold;">From:</span></b>
delamora <a class="moz-txt-link-rfc2396E" href="mailto:delamora@unam.mx"><delamora@unam.mx></a><br>
<b><span style="font-weight: bold;">To:</span></b> A
Mailing list for WIEN2k users
<a class="moz-txt-link-rfc2396E" href="mailto:wien@zeus.theochem.tuwien.ac.at"><wien@zeus.theochem.tuwien.ac.at></a> <br>
<b><span style="font-weight: bold;">Sent:</span></b>
Monday, 10 November 2014, 6:20:31<br>
<b><span style="font-weight: bold;">Subject:</span></b>
Re: [Wien] relaxation (was:_nb in dscgst.F 256 128)<br>
</font> </div>
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<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>
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<div> Saludos</div>
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<div> Pablo<br clear="none">
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