[QE-users] Error regarding bad fermienergy

SOUMYAKANTA PANDA sp57 at iitbbs.ac.in
Wed Nov 18 03:00:08 CET 2020


Hi
I am using QE code for calculating the electronic structure sriro3. I have
successfully finished the relaxation and scf calculation. But when I am
doing the nscf calculation is shows bad fermi energy. I am using  k mesh
grid point as 16×16×16 with nband =80.  Kindly let me know the solution of
above problem.

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