<div dir="ltr">Thank you sir. I have not followed that step. I will do it and write you back .</div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Sep 29, 2015 at 12:00 PM, Peter Blaha <span dir="ltr"><<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.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">After lapw1 and BEFORE lapw2 you need:<br>
<br>
x lapwso -up -p<span class=""><br>
<br>
On 09/29/2015 06:30 AM, Paresh Chandra Rout wrote:<br>
</span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">
First of all thank you very much sir for replying me . I have run lapw1<br>
-up -p and lapw1 -dn -p before entering into the lapw2 as you per your<br>
suggestion in archive. Still I am facing the same problem . But I would<br>
like to let you know that<br></span>
I have run x *lapw1 -up -p *and**x*lapw1 -dn -p *through job script<span class=""><br>
first then enter into the lapw2 .<br>
Kindly help me sir.<br>
<br>
Kind regards<br>
Paresh<br>
<br>
On Tue, Sep 29, 2015 at 4:24 AM, Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a><br></span><span class="">
<mailto:<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>>> wrote:<br>
<br>
Did you run the lapw1 steps before that [<br>
<a href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11340.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg11340.html</a><br>
]?<br>
<br>
<br>
On 9/28/2015 8:01 AM, Paresh Chandra Rout wrote:<br>
</span><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear all,<br>
While doing *DOS* calculation in *spin-orbit coupling *case, I<span class=""><br>
encounter with an error with message<br>
running LAPW2 in parallel mode<br></span>
*calculating QTL's from parallel vectors*<br>
*FERMI - Error*<br>
0.201u 0.051s 0:00.39 64.1%0+0k 0+8io 0pf+0w<span class=""><br>
<br>
I ran all the command prompt systematically but for<br></span>
*x lapw2 -p -up -so -qtl * case I am face the above error.<span class=""><br>
<br>
<br>
Is there any mistake that I am making or am I missing something ?<br>
Kindly give me some suggestion .<br>
<br>
Thanking you in advance !<br>
<br>
Kind Regards<br>
Paresh Chandra Rout<br>
Research Scholar<br>
Indian Institute of Science Education and Reseach Bhopal<br>
</span></blockquote>
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