Constrained-TS Method

Constrained-TS (Con-TS) is a much faster method to locate the transition state (TS), which searches for TSs from a guessed TS-like structure by fixing only one degree of freedom, e.g., the distance of the dissociating chemical bond.

GVasp support to generate the inputs of Con-TS, just run the command below:

gvasp submit con-TS

Other arguments

Note

More information of other arguments can be seen in optimization task.