[QE-users] S matrix not positive definite error

Aziz Fall afall at umich.edu
Thu Dec 6 22:18:32 CET 2018


Dear Quantum espresso team,

I have been trying to run a band structure calculation of CrI3, I was able
to successfully run the scf file, but when I try to run by bands file it
gives the error that "S matrix is not positive definite" I have attached a
screenshot of my k-path selection along with the bands.in file any help
will be greatlly appreciated.

Thank You,
Sincerely Aziz Fall
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