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QuantumATK => General Questions and Answers => Topic started by: Akash Ramasamy on March 16, 2024, 08:19

Title: Dipole calculation
Post by: Akash Ramasamy on March 16, 2024, 08:19

I am trying to calculate the dipole as per the tutorial code for the silicene nanoribbon system. But I am getting some error. I herewith attached the py file and the error message.

Thanks in advance
error message
Mi = sum([ i*abs(grid_data[i,:,:]).sum() for i in range(ni)])/density_abs_sum
TypeError: 'PhysicalQuantity' object is not callable
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 1