! IRC calculation
NSW=5000            ! Number of ionic steps
IBRION = 40         ! IRC 
IRC_VNORM0 = 0.0005 ! constant velocity vector in IRC
IRC_DIRECTION = -1  ! negative initial direction of movement

! Machine learning
ML_LMLFF = T        ! Enables the use of MLFF
ML_MODE = run       ! Prediction-only mode
