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- Mon Oct 10, 2011 2:11 pm
- Forum: VTSTTools
- Topic: the difference of energy in nebss.dat and nebefs.pl
- Replies: 1
- Views: 6881
the difference of energy in nebss.dat and nebefs.pl
when I use ssneb, the energy in nebss.dat and nebefs.pl's output is different. which of them is enthalpy or the fact energy barrier?