# Open SourceMolecular Dynamics

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exercises:2016_uzh_cmest:defects_in_silicon

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 exercises:2016_uzh_cmest:defects_in_silicon [2016/11/06 21:10]tmueller exercises:2016_uzh_cmest:defects_in_silicon [2016/11/06 22:01] (current)tmueller Both sides previous revision Previous revision 2016/11/06 22:01 tmueller 2016/11/06 21:10 tmueller 2016/11/06 20:30 tmueller 2016/11/06 20:29 tmueller created 2016/11/06 22:01 tmueller 2016/11/06 21:10 tmueller 2016/11/06 20:30 tmueller 2016/11/06 20:29 tmueller created Line 66: Line 66: You may have to employ some of the techniques mentioned in [[calculating_pdos|Projected density of states for graphene and h-BN]] to make the calculations convergence.You may have to employ some of the techniques mentioned in [[calculating_pdos|Projected density of states for graphene and h-BN]] to make the calculations convergence.​ + + Finally, calculate the band structure for the silicon8 geometries (with and without vacancy) as shown in the exercise [[band_structure_calculation|Getting the band structure of graphene]] between $\Gamma$, $X$, $K$, $\Gamma$ and compare them.