exercises:2018_uzh_acpc2:l-j_flu
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exercises:2018_uzh_acpc2:l-j_flu [2018/04/26 08:30] – gtocci | exercises:2018_uzh_acpc2:l-j_flu [2018/04/26 08:30] – gtocci | ||
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* Then we run '' | * Then we run '' | ||
* Using '' | * Using '' | ||
- | * The energy as a function of distance for all the single point calculations is then printed to the file ' | + | * The energy as a function of distance for all the single point calculations is then printed to the file '' |
Plot distance vs. potential energy and find the minimum in energy, which corresponds to the equilibrium distance. After having done it, you can calculate the minimum analytically as well. | Plot distance vs. potential energy and find the minimum in energy, which corresponds to the equilibrium distance. After having done it, you can calculate the minimum analytically as well. |
exercises/2018_uzh_acpc2/l-j_flu.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1