empty image POSCAR files when using nebmake.pl

Vasp transition state theory tools

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mdh
Posts: 3
Joined: Tue Aug 11, 2015 9:51 am

empty image POSCAR files when using nebmake.pl

Post by mdh »

Dear all,

I am having a problem using the nebmake.pl script when generating POSCAR files for images for a NEB calculation. I have POSCAR files for the initial and final states, and there doesn't appear to be anything odd (I can't see any problems with atom ordering, I can open and view them using p4v, for instance). When I run the script, it executes correctly, and generates directories for each of the images, as well as a POSCAR file, but when I check the image POSCAR files, they are all empty apart from the lattice vectors, list of species and their respective numbers, and a line with the word "direct". Where I would expect to see the block of atomic coordinates is blank. Is this a common problem? I've used this script before with no problems. If anyone can offer assistance, I would be most appreciative.

Thanks for your time and consideration.
graeme
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Re: empty image POSCAR files when using nebmake.pl

Post by graeme »

This sounds like some technical problem related to how the script is reading the poscar files. If you can upload the initial and final state poscar files, I should be able to debug the problem.
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