Dear users and developers,
Hello, I performed the mBJ calculation in a semimetallic system, but it has a tiny gap already. As considering SOC, the system becomes a semiconducting state. I have two questions. First, to investigate the Z2 indices on bulk system, I conduct the eigen parity for each TRIM points. In the mBJ calculation, the eigen parity is reliable? That is, can I accept the result of parity eigen value from the irrep calculation? Second, For LDA+mBJ calculation, Can I use the mBJ approach for semimatallic and nonmagnetic system? Thank you, Myung-Chul. ============================================================= Myung-Chul Jung Postdoctoral Researcher Electronic Structure Theory Group (E6-2, 4310) Department of Physics, Korea Advanced Institute of Science and Technology 291 Daehak-ro, Yuseong-gu, 34141, Korea =============================================================
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