``setup.m''

To prepare ``setup.m'' to run a calculation of an eight atom cell of Ge (valence charge Z=4), use the following code block to initialize S, R, X, and Z,

S=[48; 48; 48];

a=5.66/0.52917721; %# Lattice constant (converted from angstroms to bohrs)

R=a*diag(ones(3,1)); %# Cubic lattice
X=a*[0.00 0.00 0.00 %# diamond lattice in cubic cell
0.25 0.25 0.25
0.00 0.50 0.50
0.25 0.75 0.75
0.50 0.00 0.50
0.75 0.25 0.75
0.50 0.50 0.00
0.75 0.75 0.25];
Z=4; %# Valence charge