UT theoretical chemistry code forum

Dear Admin! I am running the CL-NEB for the dehydrogenation from CH3CHOH to CH3COH on Pt(111) using the nebmake.pl to creat the images with the INCAR like this: INCAR ISTART = 0 ICHARG = 2 general: ENMAX = 400 ISMEAR = 1 SIGMA = 0.2 VOSKOWN = 1 SPRING = -5 IMAGES = 3 LCLIMB = .TRUE. dynamic: NSW=500...