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.
empty image POSCAR files when using nebmake.pl
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Re: empty image POSCAR files when using nebmake.pl
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.