exercises:2014_ethz_mmm:infra_red
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exercise:infra_red [2014/05/09 04:30] – dpasserone | exercises:2014_ethz_mmm:infra_red [2014/10/15 14:23] – oschuett | ||
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<note tip> | <note tip> | ||
- | You should run these calculations on 4 nodes with '' | + | You should run these calculations on 16 nodes with '' |
- | Copy, as usual, the files from the directory | + | Download, as usual, the **commented** files from the wiki {{exercise_10.1.tar.gz|}}. |
</ | </ | ||
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</ | </ | ||
+ | <note warning> | ||
+ | </ | ||
+ | |||
+ | <note warning> | ||
+ | NPROC_REP has to be the same number of processors as in the bsub!! Edit the input!! | ||
+ | </ | ||
For the intensities, | For the intensities, | ||
< | < | ||
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===== Additional Files ===== | ===== Additional Files ===== | ||
Download the following file into your project directory: | Download the following file into your project directory: | ||
- | * {{:exercise:dftb_params.tgz|}} | + | * {{dftb_params.tgz|}} |
You can unpack it with the following command: | You can unpack it with the following command: | ||
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<note important> | <note important> | ||
- | - 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. |
+ | </ |
exercises/2014_ethz_mmm/infra_red.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1