minus value at z position and program termination

[gu301purdue]

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

[merzuk.kaltak]

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.

[gu301purdue]

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

[gu301purdue]

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!