[gpaw-users] ValueError: shape mismatch: objects cannot be broadcast to a single shape

Marcin Dulak Marcin.Dulak at fysik.dtu.dk
Mon Mar 30 11:37:02 CEST 2015


On 03/30/2015 10:54 AM, Logi Arnarson wrote:
> Dear GPAW list!
>
> I am trying to calculate the energy of a simple Vanadia BCC crystal with lcao, which I
> thought was very easy but I always get this error:
>
> ValueError: shape mismatch: objects cannot be broadcast to a single shape
>
> Is there someone out there that can help me understanding the reason for it?
> I have attached the script and the full error message below.
it's a bug triggered if you ask for more bands than lcao orbitals available.

Best regards,

Marcin
>
>
> Thanks in advance for the help,
> Logi
>
>
>
>
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