profess.System.create

static System.create(box_vectors, energy_cutoff, units=['b', 'h'])

Create empty system, using a plane wave energy cutoff to determine the grid dimensions.

Parameters:

box_vectorsarray_like

Lattice vectors, provided in the rows of a 3x3 list or array.

energy_cutofffloat

Maximum plane wave energy, sets grid resolution.

unitslist of str, optional

Units for previous arguments.

Returns:

systemprofess.System