buglet with smear and uks

[Matthias Krack]

Hi Matt,

many thanks for pointing this out. The issue should be fixed now.

Best,

Matthias

On Wednesday, February 5, 2014 5:25:32 PM UTC+1, Matt W wrote:
>
> Hi,
>
> I've bumped into a minor bug with the smearing code using UKS that 
> manifests itself when the smearing temperature is set very low.
>
> Taking $CP2K_ROOT/tests/QS/regtest-gpw-8/si8_broy_dav_t300_lsd.inp
>
> it triggers if the temperature is dropped (to 30 K for instance).
>
> Somehow the homo variable is not getting set correctly in this case, and 
> dbcsr crashes when trying to build the density matrix.
>
> Cheers,
>
> Matt
>
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