Same NEB run in two versions giving different output.

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Same NEB run in two versions giving different output.

Postby anilboda » Tue Jan 15, 2019 1:38 pm

Dear forum members,

iam doing NEB calculations for H diffusion through Fe surface. I have carried out NEB run in two different machine with different version (5.4.1 and 5.2.12). The input were same. But the results were different.
Please comment.

Advance thanks.
Anil
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