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distance between images.

Posted: Wed Aug 04, 2010 5:23 am
by pgopal
Hello all,
I would like to know what should the distance between images typically be for a NEB run? when I plot my images created by nebmake.pl for a simple nearest neighbor vacancy jump, the dist.pl gives me a value of around 4 Ang between images. Plotting a movie of the images however looks fine. Is this number good to begin the calculation with?

Regards,
PG

Re: distance between images.

Posted: Wed Aug 04, 2010 3:20 pm
by graeme
That seems a little large, but it all depends upon how curved the path is. For a straight path, a single image is just fine. Generally though, I would say that 1-2 Ang would be more typical.