资源共享

【拓扑材料计算软件包】www.topmat.org

不可约表示计算代码:IRVSP and IR2PW

Gao, J. et al. "IRVSP: to obtain irreducible representations in the VASP", Comput. Phys. Comm. 261, 107760 (2021).
Zhang, R. et al. "Large shift current, π Zak phase and unconventional nature of Se and Te", Phys. Rev. Research 5, 023142 (2023).

常用能带表示分解:POS2ABR and BRdecomp

Gao, J. et al. "Unconventional materials: the mismatch between electronic charge centers and atomic positions", Sci. Bull. 67 (6), 598-608 (2022).
Nie, S. et al. "Application of topological quantum chemistry in electrides", Phys. Rev. B 103, 205133 (2021).
Nie, S. et al. "Six-fold Excitations in Electrides", Phys. Rev. Research 3, L012028 (2021).

(非)磁性拓扑材料计算:POS2MSG and TopMat

Gao, J. et al. "Magnetic band representations, Fu-Kane-like symmetry indicators, and magnetic topological materials", Phys. Rev. B 106, 035150 (2022).

磁性拓扑材料探索