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Internal error in: mkpoints_change.F

Posted: Wed Aug 05, 2026 3:30 pm
by tanay11

Hi,
I am trying to calculate the elastic tensor matrix for different phases of TaN. But I am facing this specific error for Ta4N5 phase only (it's the second time I am seeing this error), while runs for other phases are running fine. So I am wondering if this is a bug or if I am making some mistake in input files, as this is occurring only for "Ta4N5." The version of VASP I am using is 6.4.2 on Compute Canada.

I am attaching the input and error files.

Ta4N5.zip

Thanks