## Electron density of states for bcc manganese

*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. Bcc manganese is a ferromagnetic element, therefore a spin-polarized calculation was performed.
In the figure above the density of states for spin-up electrons is plotted on the positive axis and the density of states for spin-down electrons on the negative axis. Bcc-manganese or delta-manganese is a high tmperature phase and occurs at temperatures above 1133°C. At room temperature manganese has a fairly complicated crystal structure.
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: 2.85 Å

Muffin tin radius: 1.11 Å

By numerical integration of the Dos for spin-up and spin-down electrons one can determine the magnetization of an element. The magnetization is simply the difference between the
spin-up and spin-down electons. In this case the calculated magnetization is: 0.98 bohr magnetons per atom.

In the following table the datapoints of the density of states are given for spin-up and further down for spin-down electrons.