Same NEB run in two versions giving different output.
Posted: 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
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