[Wien] lapwso and case.vectordn

[Peter Blaha]

Check out  lapwso.def (with and without $SCRATCH set).

You should see which files are written.

In addition use  ls  -alsp *vect*  and compare the creation dates.

You should see when the different files are created.



Am 28.02.2014 17:53, schrieb Georg Eickerling:
> Dear WIEN2k users,
>
> I am working on a "spin-orbit" case without spinpolarization at the
> moment (using WIEN2k_13.1 (Release 17/6/2013)).
> I run this in two steps, I first converge a standard "run_lapw", then
> "initso_lapw" and finally "run_lapw -so".
>
> I have a $SCRATCH set for my vectors and after the above mentioned cycle
> I see non-zero length
>
> $SCRATCH/case.vector
> $SCRATCH/case.vectorso
>
> as expected(?).
>
> When repeating exactly the same thing without $SCRATCH set, I get an
> additional
> case.vectorsodn
> (with non-zero length) in my working dir which is different from the
> other two.
>
> Is there something wrong with run_lapw (i.e. there is a $scratchstring
> passed to lapwso in run_lapw but this is empty in both of the above
> cases) or am I doing thing the wrong way?
>
> Thank you in advance for any help,
>
> Georg Eickerling
>
>
>
>
>
>
>
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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