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- Tue May 11, 2010 12:55 am
- Forum: VTSTTools
- Topic: about vibrational frequency
- Replies: 1
- Views: 10731
about vibrational frequency
Dear guys, I have a question about the vibration frequency calculation. I use two methods to calculate vibrational frequency of a same system, but the results are different. the system: O2---> 2O on Pd/Au(100) surface. At beginning, the saddle point of the reaction was searched by using dimer method...