[Wien] ROTDEF error

[AJAY SINGH VERMA]

Sir,
Thank u sir for the response.
I am using 2Doptimize for tetragonal structure(chalcopyrite) while it works very well in 
int_lapw , set2D_lapw and also for 2Doptimize.job for few one or 2 structural changes and the program stops in between in lapw2 step only what i get is the error in lapw2 file that 'error in lapw2' only.
how can i interpret and remove it.
thanks
A.S. Verma

> Date: Thu, 10 May 2012 10:42:46 +0200
> From: pblaha at theochem.tuwien.ac.at
> To: wien at zeus.theochem.tuwien.ac.at
> Subject: Re: [Wien] ROTDEF error
> 
> It is due to a "user-error".
> 
> Either you neglected all warnings during initialization, or you broke symmetry
> later on  (eg. doing c/a variation in a cubic structure ??)
> 
> Am 10.05.2012 10:39, schrieb AJAY SINGH VERMA:
> > Daer user,
> > please can you explain what is ROTDEF error and how to remove it. it occurs as below.
> > LAPW0 END
> > ROTDEF - Error
> >
> >  > stop error
> > ERROR status in 2D_V-10.0_COA_-4.0
> > Thanks and regards
> > A.S. Verma
> >
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
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> 
> -- 
> 
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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