Did you
- receive an internal error message from VASP,
- observe a failure during runtime, e.g., a crash or hangup, or
- see an inconsistency between two values, that should (at least qualitatively) agree, e.g., by symmetry or based on two methods
and did you
- check the known issues?
Then, you are ready to post!
Template
Concise description of the calculation (and the observation/issue you encounter.)
Technical details, e.g., versions, toolchains, computing architectures, etc., where the problem occurs.
Attach a zip containing a minimal reproducible, i.e., all input files and the main output files.
Note
- The moderators are members of the VASP team.
- Your post appears after it has been approved. It takes up to 24h.
- Avoid large files. (No WAVECAR, CHGCAR, ML_FF, vaspwave.h5, etc.)
- We appreciate any bug report even if you know how to circumvent the issue.