Lead (4 WFs), 10x10x10 k-point mesh.

Wannier90 input

begin unit_cell_cart
bohr
-4.67775 0.00000 4.67775
 0.00000 4.67775 4.67775
-4.67775 4.67775 0.00000
end unit_cell_cart
 
begin atoms_frac
Pb 0.00   0.00   0.00
end atoms_frac
  
begin projections
Pb:sp3
end projections

Output from Wannier90

Final State
  WF centre and spread    1  (  0.374805,  0.374805,  0.374805 )     2.85147422
  WF centre and spread    2  (  0.374805, -0.374805, -0.374805 )     2.85147421
  WF centre and spread    3  ( -0.374805,  0.374805, -0.374805 )     2.85147422
  WF centre and spread    4  ( -0.374805, -0.374805,  0.374805 )     2.85147422
  Sum of centres and spreads (  0.000000,  0.000000,  0.000000 )    11.40589687
                                                                                                
         Spreads (Ang^2)       Omega I      =     9.483403020
        ================       Omega D      =     0.004244786
                               Omega OD     =     1.918249060
    Final Spread (Ang^2)       Omega Total  =    11.405896866

Wannier Functions

The band-structure from Wannier Interpolation.
The horizontal line is the Fermi level.

Input files lead.tgz

(c) 2006 Jonathan Yates