UT theoretical chemistry code forum

Hello,

Is it possible to use the UT code's optimizers without doing a transition state search? If so what are the input paramerters that i need to use so that the code won't try to run an NEB search, or do i have to recompile vasp without the NEB, DIMER etc algothymes but with only the optimizers?

Thanks!

Yes, you can use the optimizers for non TS calculations. If you set IBRION=3, IBRION=0.0, and IOPT to the optimizer of your choice.