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- Fri Aug 12, 2005 1:10 am
- Forum: VTSTTools
- Topic: Questions in relation to dimer output
- Replies: 2
- Views: 13403
Questions in relation to dimer output
The out.dat contains the data for each iteration in the six columns. What's meaning of the third column, U? In the website, it was explained that the third column is the energy of the image of the dimer. But, I can't make sense of this sentence exactly. Please give me an explanation in detail. If th...