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exercises:2018_uzh_cmest:defects_in_silicon

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exercises:2018_uzh_cmest:defects_in_silicon [2018/10/30 09:45] abussy [Observing changes in the density of states] |
exercises:2018_uzh_cmest:defects_in_silicon [2018/10/30 13:13] abussy [Observing changes in the density of states] |
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Finally we are going to look at the change of the density of states due to the vacancy: | Finally we are going to look at the change of the density of states due to the vacancy: | ||

- | Alter the input files for the small geometry (the ''What do you observe when comparing the band gap of the two geometries? | + | Alter the input files for the small geometry (the '', comment. Can you explain why the |

+ | ''? | ||

Now do a geometry optimization on the '' | Now do a geometry optimization on the '' | ||

Your last task is to compare the total energy of the geometry optimized (with the vacancy) '' | Your last task is to compare the total energy of the geometry optimized (with the vacancy) '' |

exercises/2018_uzh_cmest/defects_in_silicon.txt · Last modified: 2020/08/21 10:15 (external edit)

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