采用杂化泛函不能使用ICHARG=11，即只能进行自洽计算。

a significant difference between hybrid band-structure calculations and DFT band-structure calculations:

The electronic charge density suffices for density functionals to define the Hamiltonian, and no regular k mesh is required during DFT band-structure calculations. However, if no regular k mesh is provided, the electronic charge density must be fixed during the DFT band-structure calculation by setting ICHARG=11 in the INCAR file.

Warning: The electronic charge density must not be fixed for any hybrid calculation, i.e., never set ICHARG=11!

Ref: Band-structure calculation using hybrid functionals