5.9.8. energies.get_Ekin¶

eminus.energies.get_Ekin(atoms, Y, ik)[source]¶

Calculate the kinetic energy.

Reference: Comput. Phys. Commun. 128, 1.

Parameters:

atoms – Atoms object.
Y – Expansion coefficients of orthogonal wave functions in reciprocal space.
ik – k-point index.

Returns:

Kinetic energy in Hartree.