dist.pl

Vasp transition state theory tools

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kambiz
Posts: 39
Joined: Tue Mar 01, 2011 12:35 am

dist.pl

Post by kambiz »

Hi dear all,

The "dist.pl" script gives the root sum squared distance between configuration files.

Is this the distance between the images that used in NEB? Should this value be equal (or close) among all images?

Cheers
Kambiz
graeme
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Posts: 2291
Joined: Tue Apr 26, 2005 4:25 am
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Re: dist.pl

Post by graeme »

Yes, that it right. In fact, the nebbarrier.pl calls the dist.pl script to determine the distance between images.
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