| 12:11:36 PM PDT - Thu, Sep 8th 2016 |
|
| I think the idea is more that you calculate the reaction path at one level and then are interested in energies along that path at a higher level that would not be practical/affordable to calculate the reaction path with. But I could be wrong as I am not familiar with this dirdyvtst module or the program that it generates an input file for. My answer was based solely on a quick reading of the documentation page I linked above.
|