[Pw_forum] neb

[Stefano de Gironcoli]

-> means from left to right (the froward reaction, from the first to the 
last image)
<- means from right to left (the reverse reaction).
If the initial and final configurations are  equivalent  (as in example 
17) then -> = <-  , otherwise it is unlikely to happen.
hope this helps,
stefano 

ÇÍÓÇä ÚÑíÞÇÊ wrote:
> Hi 
> In the output of the neb what is the physical meaning of that the activation energy ->0.0000 and activation energy <-7.8eV is it a range that activation energy lie in between ...
> In example 17 at the end of the output neb file ->..=<-...
> my question activation energy that we have from the neb must have single value or it will be withen a range of values as  ..< activation energy >..
> Best regards 
> Ihsan A.Erikat
> Jordan Physics department
>
>
>       
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