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Dear there,

I had an issue that VASP stopped by itself with no reason. I checked POSCAR file, and see a few atomic positions at z became minus. Is that an issue?

For example, the atomic number of He that I put into the cell became:
0.4857382958148498 0.4857588533007491 -0.0004976316351649

The third number is minus. Is that the reason VASP stopped and how to prevent it?

Thanks!
Tina

Hello

usually, negative z coordinates are not a problem.
I would suggest to upload an error report (POSCAR, KPOINTS, INCAR, POTCAR, OUTCAR and stdout).
This would help us to identify the cause of the problem.

Thanks for the response! Attached is the zipped input files. The OUTCAR is quite big, and not included here. Hope this issue can be figured out!

Thanks!
Tina

Can anyone helps me? What's the issue it might be? Is there any other file that I need to provide? Is that just because the technical issue of the clusters?

Thanks!