5.10.2. gga.get_grad_field

eminus.gga.get_grad_field(atoms, field, real=True)[source]

Calculate the gradient of fields on the grid per spin channel.

Parameters:
  • atoms – Atoms object.

  • field – Real-space field per spin channel.

Keyword Arguments:

real – Make the gradient a real array (the gradient of n_spin is real).

Returns:

Gradients of field per spin channel.