Hello Friends,

After calculation by CINEB, we can obtain the reaction path plot (Energy vs Reaction Coordinate). My question is regarding the Reaction Coordinate [A] axis. It mentions in the brackets "A", this means the unit of the Reaction Coordinates axis or what else? If the A is unit, A should be Å. So could you please explain me what does it mean "A" and the unit of the Reaction Coordinate axis.

Thank you.

## What does it mean "A" in the Reaction Coordinate axis.

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### Re: What does it mean "A" in the Reaction Coordinate axis.

Thank you so much, Prof. Graeme.

### Re: What does it mean "A" in the Reaction Coordinate axis.

You can change it on line 3 of nebplot.gnu , in the vtstscripts , if you want.

set grid

set pointsize 2

set xlabel "Reaction Coordinate [A]"

set ylabel "Energy [eV]"

set nokey

set terminal postscript eps color

set output "mep.eps"

plot "spline.dat" u 2:3 w l lt 1 lw 2.4 , \

"neb.dat" u 2:3 w p lt 3 lw 3.0 pt 7 ps 1.3

set grid

set pointsize 2

set xlabel "Reaction Coordinate [A]"

set ylabel "Energy [eV]"

set nokey

set terminal postscript eps color

set output "mep.eps"

plot "spline.dat" u 2:3 w l lt 1 lw 2.4 , \

"neb.dat" u 2:3 w p lt 3 lw 3.0 pt 7 ps 1.3