[Wien] LAPW2 crashed!

[Laurence Marks]

I suggest that you run through all the examples, not just TiC before your
specific case. You will learn a lot. There are some in the notes and
lectures page at http://www.wien2k.at/reg_user/textbooks . Once you have
done this what is wrong with your calculation may become obvious as you
will have a much better understanding of how Wien2k works. Walk before you
try to run.

---------------------------
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
 On Aug 17, 2012 5:54 AM, "Yunguo Li" <yunguo at kth.se> wrote:

>  Yes, the "-ec 0.0001Ry"  should be "-ec 0.0001". But that's not the
> reason for this problem.
>
>    Now I think the problem may come from the inappropriate compile or
> installation. Because I encountered the similar problem when I redo the TiC
> example.
>   >   lcore       (21:19:37) 0.000u 0.000s 0:00.00 0.0%   0+0k 0+0io
> 0pf+0w
> error: command   /home/x_yunli/wien2k/lcore lcore.def   failed
>
>  After I recompiled the lcore and mixer, the example got succeed.
>
>  But I don't know how to do with lapw2cpara.
>
>       lapw2 -c -up  -p    (13:57:16) running LAPW2 in parallel mode
>
>     **  LAPW2 crashed!
>
>    0.027u 0.039s 0:00.15 33.3%     0+0k 0+0io 0pf+0w
>
>    error: command   /home/x_yunli/wien2k/lapw2cpara -up -c uplapw2.def
>   failed
>
>     On Aug 16, 2012, at 6:42 PM, Laurence Marks wrote:
>
>
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