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exercises:2018_uzh_cmest:path_optimization_neb

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exercises:2018_uzh_cmest:path_optimization_neb [2018/10/23 14:08] – [Path optimization using NEB] abussyexercises:2018_uzh_cmest:path_optimization_neb [2018/10/23 15:52] – [Vibrational analysis] abussy
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 $ molden ethane_TS_va-VIBRATIONS-1.mol $ molden ethane_TS_va-VIBRATIONS-1.mol
 </code> </code>
 +
 +<note important>Molden is currently not available on tcopt2, it should be fixed soon. Sorry for the inconvenience.</note>
  
 Click the //Norm. Mode// checkbox in the //Molden Control// window to list all the modes. What is the lowest frequency you get? By clicking on it you can visualize it.  Click the //Norm. Mode// checkbox in the //Molden Control// window to list all the modes. What is the lowest frequency you get? By clicking on it you can visualize it. 
exercises/2018_uzh_cmest/path_optimization_neb.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1