<div dir="ltr"><span style="font-family:arial,sans-serif;font-size:13px">Dear Pieper</span><br style="font-family:arial,sans-serif;font-size:13px"><div style="font-family:arial,sans-serif;font-size:13px"><div>Yes I have "show dayfile". i m using w2web. YES I have successfully completed my calculations with this system but i used wien2k version 8. No error appears in initialization. one more thing, I have run same SCF on wien2k version 8 and it is finished successfully. I am running spin polarized calculations. In this case Lattice constant is 6.109 A.Kindly help me to solve this problem.<br>
</div><div>Regards<br></div><div>M. Sajjad</div></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Fri, Apr 19, 2013 at 12:31 AM, pieper <span dir="ltr"><<a href="mailto:pieper@ifp.tuwien.ac.at" target="_blank">pieper@ifp.tuwien.ac.at</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Sajjad,<br>
<br>
you still is next to no information - I doubt anybody can help you.<br>
<br>
One of the first things you should do is take a look into the dayfile (if<br>
you use w2web its in the utilities menu).<br>
<br>
Did you succeed with any calculations on your Lenovo laptop?<br>
-->If no, try TiC, following the UG until it works.<br>
<br>
-->If yes, did you succeed to run a SCF with that struct file? Maybe in a<br>
fresh directory (new case)?<br>
<br>
-->>If no, did you use w2web? At least for the setup? Were there any<br>
errors/warnings during initialization?<br>
<br>
-->>If yes, what did you change after the successful run?<br>
<br>
I am a little suspicious about you mentioning 'lapw2c': Is this a complex<br>
case (magnetic or without inversion)?<br>
<br>
Best luck,<br>
<br>
Martin Pieper<br>
<br>
On Thu, 18 Apr 2013 23:51:18 +0800, Muhammad Sajjad <<a href="mailto:sajjadpu@gmail.com">sajjadpu@gmail.com</a>><br>
wrote:<br>
<div class="im">> Respected members<br>
><br>
> Sorry, some text was missing in the first mail. Please read the<br>
following<br>
> now.<br>
><br>
> I am using wien2k_12 version. I tried to perform an SCF for a transition<br>
> metal doped CdTe for 25 percent doping concentration. My system is<br>
Lenovo<br>
> (laptop) core i5 with 4GB RAM.<br>
> When SCF starts, it proceeds as<br>
> Show STDOUT<br>
><br>
> LAPW0 END<br>
> LAPW1 END<br>
> LAPW1 END<br>
</div>> After this, SCF runs for long time on *lapw2c. *<br>
><br>
> *When *I checked the error file, then found an error " error in lapw2"<br>
<div class="im">><br>
> Please help me to overcome this problem.<br>
><br>
> True Regards<br>
><br>
> M. Sajjad<br>
<br>
</div>--<br>
Dr. Martin Pieper<br>
Karl-Franzens University<br>
Experimentalphysik<br>
Universitätsplatz 5<br>
A-8010 Graz<br>
Austria<br>
Tel. <a href="tel:%2B43-316-380-8564" value="+433163808564">+43-316-380-8564</a><br>
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</blockquote></div><br></div>