<p>I suggest doing "x patchsymm" and checking that the positions and symmetry operations are right first. This sounds like a user setup error, but I am guessing based upon incomplete data.</p>
<p>---------------------------<br>
Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu">www.numis.northwestern.edu</a> 1-847-491-3996<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi<br>
</p>
<div class="gmail_quote">On Oct 22, 2012 8:39 PM, "Gavin Abo" <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000">
<div>Dear list,<br>
<br>
The full output that I got from Mohamed:<br>
-----------------------------<br>
<span>$ runsp_lapw<br>
hup: Command not found.<br>
LAPW0 END<br>
LAPW1 END<br>
LAPW1 END<br>
LAPW2 END<br>
LAPW2 END<br>
CORE END<br>
CORE END<br>
ROTDEF - Error<br>
<br>
> stop error</span><br>
-----------------------------<br>
<br>
The terminal command:<br>
<br>
cat $WIENROOT/VERSION<br>
<br>
will most likely return <br>
<br>
Wien2k 11.1 (Release 5/4/2011)<br>
<br>
According to the past post:<br>
<br>
<a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html</a><br>
<br>
I believe the mixer (latgen.f) called the ROTDEF subroutine.<br>
<br>
It seems that the mixer was updated in Wien2k 11.1 (Release 14/6/2011), so upgrading to a newer Wien2k version should resolve the error.<br>
<br>
On 10/22/2012 11:52 AM, Mohamed ouaissa wrote:<br>
</div>
<blockquote type="cite">
<div style="font-size:12pt;font-family:times new roman,new york,times,serif">
<div><span>Dear wien2k users,</span></div>
<div style="font-style:normal;font-size:16px;background-color:transparent;font-family:times new roman,new york,times,serif">
<span>for more informations i calculate spinpolarized of NiFe2O4 ferrimagnetic when i wrote my command runsp_lapw he run normaly but stopped at LAPW2 END.</span></div>
<div style="font-style:normal;font-size:16px;background-color:transparent;font-family:times new roman,new york,times,serif">
<span>Im using wien2k_11.<br>
</span></div>
<div style="font-style:normal;font-size:16px;background-color:transparent;font-family:times new roman,new york,times,serif">
<span>Thanks in advance for your response</span></div>
<div><br>
</div>
<div style="font-family:times new roman,new york,times,serif;font-size:12pt">
<div style="font-family:times new roman,new york,times,serif;font-size:12pt">
<div dir="ltr"><font face="Arial">
<hr size="1">
<b><span style="font-weight:bold">De :</span></b> Lyudmila Dobysheva <a href="mailto:lyuka17@mail.ru" target="_blank">
<lyuka17@mail.ru></a><br>
<b><span style="font-weight:bold">À :</span></b> A Mailing list for WIEN2k users
<a href="mailto:wien@zeus.theochem.tuwien.ac.at" target="_blank"><wien@zeus.theochem.tuwien.ac.at></a>
<br>
<b><span style="font-weight:bold">Envoyé le :</span></b> Lundi 22 octobre 2012 14h46<br>
<b><span style="font-weight:bold">Objet :</span></b> Re: [Wien] LAPW2 END<br>
</font></div>
<br>
21.10.2012 15:02, Mohamed ouaissa пишет:<br>
> when i start runsp_lapw it stops after LAPW2 as it shown below:<br>
> hup: Command not found.<br>
> LAPW0 END<br>
> LAPW1 END<br>
> LAPW1 END<br>
> LAPW2 END<br>
> who can tell me what i should do or where i did a mistake?<br>
<br>
Nobody can.<br>
There is no information in your letter.<br>
<br>
Best wishes<br>
Lyudmila Dobysheva<br>
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</blockquote>
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</blockquote></div>