[Wien] case.vectorso (up/dn)

Stefaan Cottenier Stefaan.Cottenier at fys.kuleuven.be
Wed Jun 20 08:59:18 CEST 2007


> 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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