exercises:2015_ethz_mmm:infra_red
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Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
exercises:2015_ethz_mmm:infra_red [2015/05/15 13:56] – pshinde | exercises:2015_ethz_mmm:infra_red [2015/05/16 10:37] – pshinde | ||
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You should run these calculations on 16 nodes with '' | You should run these calculations on 16 nodes with '' | ||
Download, as usual, the **commented** files from the wiki {{exercise-10.1.tar.gz|}}. | Download, as usual, the **commented** files from the wiki {{exercise-10.1.tar.gz|}}. | ||
+ | Please use command | ||
</ | </ | ||
===== 1. Task: Computing vibrational spectra for methanol and benzene ===== | ===== 1. Task: Computing vibrational spectra for methanol and benzene ===== | ||
- | To compute the vibrational spectra, we need to first find a minimum structure for the systems. | + | To compute the vibrational spectra, we need to first find a minimum structure for the systems. |
< | < |
exercises/2015_ethz_mmm/infra_red.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1