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
crI3.band.in
Description: Binary data
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
