&CELL_PARAMETERS

Lattice_Vectors(normalized):
1.000000000   0.000000000   0.000000000
0.000000000   1.000000000   0.000000000
0.000000000   0.000000000   1.000000000

Cell_dimensions bohr
39.89149 39.89149 39.89149

Ecut=20.0 Hartree 
/

&DIELECTRIC_PARAMETERS Bulk
Epsilon1_a1 = 5.76
Epsilon1_a2 = 5.76
Epsilon1_a3 = 5.76
/

&GAUSSIAN_PARAMETERS:
Total_charge = -2
Sigma = 2.614
Centre_a1 = 0.5
Centre_a2 = 0.5
Centre_a3 = 0.5
/
