sknano.structures.compute_unit_cell_mass

sknano.structures.compute_unit_cell_mass(n, m, element1=None, element2=None, **kwargs)

Compute nanotube unit cell mass in Daltons/atomic mass units (amu) units.

Parameters:

n, m : int

Chiral indices defining the nanotube chiral vector \(\mathbf{C}_h = n\mathbf{a}_1 + m\mathbf{a}_2 = (n, m)\).

element1, element2 : {str, int}, optional

Element symbol or atomic number of basis Atom 1 and 2

Returns:

float

Unit cell mass in Daltons.

Notes

Todo

Handle different elements and perform accurate calculation by determining number of atoms of each element.