Issue warning for imaginary phonons

PhasesResearchLab / dfttk

DFTTK is a Python package for automating VASP workflows and storing the relevant results on MongoDB.

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Open lukeamyers opened 2 months ago

lukeamyers commented 2 months ago

I imagine (hehe) this can be done by treating the imaginary frequencies as negative as in the plot.

Some other way may be better

nhew1994 commented 2 months ago

I think just issue a warning if there are more than 1% imaginary phonons. We can change the title to issue warning for imaginary phonons?