internal error in GENERATE_KPOINTS_TRANS: number of G-vector changed in star 70552 70554

[ungur.liviu]

I encountered one bug report when calculating phonon dispersion with DFPT:
-----------------------------------------------------------------------------
| _ ____ _ _ _____ _ |
| | | | _ \ | | | | / ____| | | |
| | | | |_) | | | | | | | __ | | |
| |_| | _ < | | | | | | |_ | |_| |
| _ | |_) | | |__| | | |__| | _ |
| (_) |____/ \____/ \_____| (_) |
| |
| internal error in: mkpoints_change.F at line: 786 |
| |
| internal error in GENERATE_KPOINTS_TRANS: number of G-vector |
| changed in star 70552 70554 |
| |
| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |
-----------------------------------------------------------------------------

This can also be seen in the vasp.err file.
I provide all the calculation files in the attachment.

Bug_report.tar.gz

[henrique_miranda]

This is a recurring issue. Most recently: https://www.vasp.at/forum/viewtopic.php?t=18376
We are working to implement a fix to it.
In the meantime, I wrote a wiki page with a longer description of the problem in our wiki
https://www.vasp.at/wiki/index.php/Numb ... n_the_star

You can try to:

• Symmetrize your POSCAR file using https://gist.github.com/henriquemiranda ... af6484f890
• Try and change ENCUT very slightly
• Deactivate symmetries by setting ISYM=0 or ISYM=-1