[gpaw-users] get_projections_error

[Tristan Maxson]

Can you include an input?  If i had to guess i believe this is a possible
error when you have an overlapping atom,  please check for that.

Tristan Maxson
On Mar 1, 2016 7:09 AM, <d.davelou at materials.uoc.gr> wrote:

> Dear all,
>
> I try to calculate the probabilties of the wavefunctions of my structure
> and I keep getting this error:
>
> --------------------------------------
>  File
> "/gpfs/buildsets/eb150518/software/GPAW/0.10.0.11364-goolf-1.4.10-Python-2.7.3/lib/python2.7/site-packages/gpaw/aseinterface.py",
> line 621, in get_projections
> GPAW CLEANUP (node 11): <type 'exceptions.AssertionError'> occurred.
> Calling MPI_Abort!
>     assert wfs.gd.comm.size == 1
> ---------------------------------------
>
> Best regards,
> Davelou Daphne
>
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