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: