[Wien] LAPW2 END - Mixer ROTDEF

Gavin Abo gsabo at crimson.ua.edu
Tue Oct 23 03:39:00 CEST 2012


Dear list,

The full output that I got from Mohamed:
-----------------------------
$ runsp_lapw
hup: Command not found.
  LAPW0 END
  LAPW1 END
  LAPW1 END
  LAPW2 END
  LAPW2 END
  CORE  END
  CORE  END
ROTDEF - Error

 >   stop error
-----------------------------

The terminal command:

cat $WIENROOT/VERSION

will most likely return

Wien2k 11.1 (Release 5/4/2011)

According to the past post:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-May/014706.html

I believe the mixer (latgen.f) called the ROTDEF subroutine.

It seems that the mixer was updated in Wien2k 11.1 (Release 14/6/2011), 
so upgrading to a newer Wien2k version should resolve the error.

On 10/22/2012 11:52 AM, Mohamed ouaissa wrote:
> Dear wien2k users,
> for more informations i calculate spinpolarized of NiFe2O4  
> ferrimagnetic when i wrote my command runsp_lapw  he run normaly but 
> stopped at LAPW2 END.
> Im using wien2k_11.
> Thanks in advance for your response
>
> ------------------------------------------------------------------------
> *De :* Lyudmila Dobysheva <lyuka17 at mail.ru>
> *À :* A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
> *Envoyé le :* Lundi 22 octobre 2012 14h46
> *Objet :* Re: [Wien] LAPW2 END
>
> 21.10.2012 15:02, Mohamed ouaissa ?????:
> > when i start runsp_lapw it stops after LAPW2 as it shown below:
> > hup: Command not found.
> >  LAPW0 END
> >  LAPW1 END
> >  LAPW1 END
> >  LAPW2 END
> > who can tell me what i should do or where i did a mistake?
>
> Nobody can.
> There is no information in your letter.
>
> Best wishes
>   Lyudmila Dobysheva
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