Dear Saini, Have you tried increasing the k-points grid? At least doubled relative to the SCF one. For instance, if you have run an SCF calculation with a 10x10x10 grid, then try to use 20x20x20 in your NSCF run.
Or else you could also change the 'tetrahedra' occupations into the gaussian just to give a check. Best regards, * Marcelo Albuquerque* * Ph.D. Student* * Physics Institute (IF-UFF)* *Universidade Federal Fluminense (UFF)* * Niterói/RJ - Brasil*
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