Discover zjwang11/TopMat Open Source project

Stars
10
Rank 1,798,661 (Top 36 %)
Language
Created over 3 years ago
Updated 3 months ago

zjwang11

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

An automatic workflow to search for topological materials in 1651 magnetic space groups. Ref: J. Gao, et al. "Magnetic band representations, Fu-Kane-like symmetry indicators, and magnetic topological materials", Phys. Rev. B 106, 035150 (2022). https://doi.org/10.1103/PhysRevB.106.035150

IRVSP

IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.

Makefile

103

VASP2KP

to compute kp parameters and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 127101 (2023) https://doi.org/10.1088/0256-307X/40/12/127101

MATLAB

UnconvMat

to solve the aBR decomposition online for an unconventional material or obstructed atomic insulator (OAI). "Unconventional materials", Sci. Bul. 67(6), 598-608 (2022).

IR2PW

to compute Irreducible Representations by linking the libIRVSP.a to PWscf/QE code and phonon modes. R. Ref: Zhang, et al. Phys. Rev. Research 5, 023142 (2023). https://doi.org/10.1103/PhysRevResearch.5.023142.

Python