| D(E) [atom-1 eV-1] | -10 -5 0 5 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 |
Energy [eV] |
This density of states was calculated using the density functional theory program WIEN2k. The following parameters were used for the calculation:
Potential: generalized gradient approximation
Seperation Energy: -9.0 Ry
RK_max: 7.00
Number of points in k-space: 1000
Crystal structure: bcc
Lattice constant: 2.87 Å
Muffin tin radius: 1.11 Å