Compiling nebbarrier.pl script

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Compiling nebbarrier.pl script

Postby ornis » Sat Feb 11, 2017 9:31 am

Dear Expertise

I am trying to calculate the reaction rate using CI-NEB method but when I am compiling the "nebbarrier.pl" script in my system- the "neb.dat" file gives the distances between each images as "0.0000' for every cases. Can anyone help me to get the distances between the images.

Thanks in advance
ornis
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