Author Topic: Dipole calculation  (Read 3278 times)

0 Members and 1 Guest are viewing this topic.

Offline Akash Ramasamy

  • Regular QuantumATK user
  • **
  • Posts: 16
  • Country: in
  • Reputation: 0
    • View Profile
Dipole calculation
« 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