distance between images.
Posted: Wed Aug 04, 2010 5:23 am
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
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