Bug report - internal error in bandgap_tools.F line 316

Problems running VASP: crashes, internal errors, "wrong" results.


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b.ramu_ramachandran1
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Bug report - internal error in bandgap_tools.F line 316

#1 Post by b.ramu_ramachandran1 » Mon Oct 05, 2026 4:49 pm

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


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

#2 Post by martin.schlipf » Tue Oct 06, 2026 12:14 pm

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

Martin Schlipf
VASP developer


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