21 August 2023 2 8K Report

Hi all, Anyone can help me to fix the problem, VERY BAD NEWS! internal error in subroutine IBZKPT:

Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 96

VERY BAD NEWS! internal error in subroutine IBZKPT:

Reciprocal lattice and k-lattice belong to different class of lattices. Often results are still useful... 96

I try it many times and I have same structure but with different atom such as Ca and it is work and finish however I used same sitting ??

I attached the files bellow related to this problem:

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