Energy Bands in Iron via the Augmented Plane Wave Method

Results of numerical calculations of the band structure of body-centered cubic and face-centered cubic iron are reported; the calculations have been carried out according to the augmented plane wave (APW) method of Slater. A total of 55 points in the $\frac{1}{48}$ of the Brillouin zone has been examined in the bcc case; this provides sufficient information for construction of a density-of-states curve which is presented. For the fcc structure, calculations have been performed at 17 points of high symmetry; no density-of-states curve is calculated.