Editing INCAR (section)

===Damped MD and QUICKMIN (IBRION=3)===

Recomended to use along NEBs for big systems or in conjunction with NEBs.
 ionic steps:         
   IBRION =   3     #  
   POTIM  =   0.011 # Always lower than 0.020.                   
   EDIFFG =  -0.020 # In eV/Å
   NSW    = 100     #  

POTIM should be very small, lower than the reciprocal of the highest eigenvalue in the Hessian Matrix. For hydrogen-containing systems, this value is around 0.025. Values lower than 0.017 are usually very safe. 
 
Back to [[Núria López and Group]] / [[Scripts_for_VASP]].