[Wien] case.vectorso (up/dn)

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Wed Jun 20 17:26:01 CEST 2007


It means that your scratch directory is equal to your working directory, 
and that therefor the case.vectorup file must be in your working 
directory. If your calculation really finished normally, as you say, it 
must be there. Don't you really see it? Did you do something that could 
have erased them (clean_lapw?) ?

Stefaan


> Dear Stefaan,
>  
> thank you for reply,
>  
> $SCRATCH has not been defined in my system and
>  
> in *lapw1.def I can see such information:
>  
> 10,'./case.vectorup', 'unknown','unformatted',9000
>  
> What does it mean?
>  
> Konstantin.
>  
>  
>  
> >/ I have finished scf cycle  spinpolarazed complex (without 
> inversion)  Pnma
> />/ structure with spinorbit calculation, and have been surprized  by 
> absence
> />/ both of case.vectorsoup (dn) and case.vectorup (dn). SCF finished 
> without
> />/ any erors.
> />/
> />/ What is possible reason of this absence?
> /
> >Do :
>
> >ls -l $SCRATCH/*vector*
> >
> >and you should see them -- vector files are put in your scratch 
> >directory, not in your working directory where you probably looked. If 
> >$SCRATCH would not be defined on your system, look in *lapw1.def for 
> >the explicit path to file nr. 10.
>
> >Stefaan
>  
>
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