query regarding molecular polarizability and electric field calculations

[dua.harkishan@yahoo.com]

Dear Sir/Madam,
Could you please tell me the procedure for calculating the following properties for the fullerene:
1. How to calculate the magnitude of molecular polarizability (ALPHA) using QuantumATK?
2. How to apply electric field for a molecule for performing only eigen value calculation (energy gap calculation)?
The structure is attached herewith.
Waiting for your kind reply.

[Anders Blom]

The easiest way to set up an electric field across a molecule would be add the metallic plates on either side of the molecule, sort of like how we did in this tutorial: https://docs.quantumatk.com/tutorials/opening_a_band_gap/opening_a_band_gap.html

Then molecular polarizability is the derivative of the dipole moment (see https://docs.quantumatk.com/manual/Types/ElectronDensity/ElectronDensity.html#usage-examples) as  function of the field strength.