Table 1.

Values of the parameter CUT (in atomic units) for the half ionized orbitals used within the DFT-1/2 electronic structure calculations.

Atom	CUT (a.u.)	Half-ionized orbital
Pb	2.18	d
Sn	2.30	p
Cl	3.12	p
Br	3.34	p
I	3.76	p