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Bug report - internal error in bandgap_tools.F line 316

Posted: Mon Oct 05, 2026 4:49 pm
by b.ramu_ramachandran1

Got this from an unsuccessful run:

| internal error in: bandgap_tools.F at line: 316 |
| |
| Could not determine new bound in interval bisection. Most likely |
| this means that the eigenvalues are not sorted |
| |
| If you are not a developer, you should not encounter this problem. |
| Please submit a bug report. |
| |

Best regards,
Ramu


Re: Bug report - internal error in bandgap_tools.F line 316

Posted: Tue Oct 06, 2026 12:14 pm
by martin.schlipf

Can you tell me which version of VASP you use? This is a know issue that has been fixed in 6.6.0.