[Wien] Run SCF for Supercell ZnO:Mg

Laurence Marks laurence.marks at gmail.com
Thu Jan 28 08:27:24 CET 2021


It is not clear from your email where the error was. Please look (ls) for a
non-zero error file (cat *.error). In many cases this will tell you what
the error is. Most errors are in user parameters, and the error message
will tell you what to do. Most others have already been discussed on the
list.

If it is not obvious, and not already on the list, repost more information.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu

On Thu, Jan 28, 2021, 01:09 Murat Aycibin <aycibin at gmail.com> wrote:

> Hi guys
> I have been trying to run SCF of ZnO with Mg. I have built ZnO supercell
> and replace one Zn with Mg. after that, i have done initial calculation.
> everything is fine and no error. when i go for SCF i am getting below error
>
> >   stop error
>
> grep: lapw2*.error: No such file or directory
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW1 END
>  LAPW0 END
> hup: Command not found.
>
> What should i do_ how i can come over from this problem.
>
> Thanks for suggestion
>
>
> --
> Yrd Doc Dr. Murat Aycibin
> Van Yuzuncu Yil Universitesi
> Fizik Bolumu
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