[Wien] Wien2k_11 ORB execution

[Laurence Marks]

Can you please try and send your question again, explaining a bit
more. I am not sure that anyone can currently help as it is not clear
exactly what you are asking.

N.B., you cannot run orb and eece at the same time.

N.N.B., did you setup the input files for orb and eece? If you did not
then they won't run.

On Fri, Feb 24, 2012 at 5:09 AM, César de la Fuente <cesar at unizar.es> wrote:
> To whom may concern,
>
> I m using wien2k_11 and after selecting the orb option for a regular "run_sp_lapw " I have never seen the execution of the "orb" program after "lapw0" (as other times), but "lapw1" is still having the flag -orb active. In fact, run_sp_lapw finish correctly without having any apparently error and without running orb program somehow. Is it normal?
>
> I am comment you that because I m having a lapw0 error during first cycle when I activate the flags -eece and -orb together in run_sp_lapw from w2web, and I guess it is because the orb program is not running during self consistent cycles.
>
> Many thanks in advance for your comments.
> Dr. César de la Fuente
>
>
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-- 
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