exercises:2018_ethz_mmm:infrared_2018
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exercises:2018_ethz_mmm:infrared_2018 [2018/04/20 15:01] dpasserone |
exercises:2018_ethz_mmm:infrared_2018 [2018/04/20 15:19] (current) dpasserone |
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| <note important> - Check the result. **gnuplot** with the command **plot "file" u 1:2 w l** will help. Is it satisfactory with respect to the DFT static calculation and literature? Why? | <note important> - Check the result. **gnuplot** with the command **plot "file" u 1:2 w l** will help. Is it satisfactory with respect to the DFT static calculation and literature? Why? | ||
| - Run 40000 more steps. Check the new results. Discuss what you obtained. Discuss the behavior of the autocorrelation in the time domain. | - Run 40000 more steps. Check the new results. Discuss what you obtained. Discuss the behavior of the autocorrelation in the time domain. | ||
| + | - ** WEB SITE [[https://www.cfa.harvard.edu/hitran/vibrational.html|Vibrational modes]] ** | ||
| </note> | </note> | ||
exercises/2018_ethz_mmm/infrared_2018.txt ยท Last modified: 2018/04/20 15:19 by dpasserone
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