CINEB vasp convergence
Posted: Sat Apr 23, 2022 1:24 am
When I perform the CINEB calculation, the force is difficult to converge to below 0.05, and has been hovering between 0.08 and 0.12. Could you give me some advice?
The distance between initial and final states is 4.57 and the tags I used:
IBRION = 3
POTIM = 0
ICHAIN = 0
LCLIMB = .T.
SPRING = -5
IMAGES = 10
EDIFFG = -0.05
IOPT = 3
MAXMOVE = 0.2
TIMESTEP = 0.1
Thank you very much and look forward to your reply.
The distance between initial and final states is 4.57 and the tags I used:
IBRION = 3
POTIM = 0
ICHAIN = 0
LCLIMB = .T.
SPRING = -5
IMAGES = 10
EDIFFG = -0.05
IOPT = 3
MAXMOVE = 0.2
TIMESTEP = 0.1
Thank you very much and look forward to your reply.