Solution LAB1 Al
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- Back to the previous page: Structural and electronic properties of semiconductors and metals #A metallic system: Aluminium
What we can note is:
- Larger k-points grids are needed with respect the insulator case
- Notice that you cannot reduce the broadening too much: the energy levels must have some overlap, or else the advantage of broadening is lost. A small broadening is needed, but it can be reduced only if the k point grid is dense enough
- Note that the number of bands (Kohn-Sham states) is no longer automatically set to the number of electrons divided by 2, but a larger number of bands is considered.
- Note also that for metallic system the Fermi energy is reported in the output