Dear All, I am using Quantum ESPRESSO v.6.4.1 and Wannier90 v.3.0.0.
I am currently working on phosphorene, a layered material of phosphorus atoms, with spin-orbit coupling and an electric field in the plane direction. Wannier90 outputs an hr.dat file, which is then imported into Python for calculations to reproduce the energy bands. The outline of the energy bands calculated in Python appears to be in good agreement with the bands calculated by Wannier90. However, when I zoomed in near the Γ point, we found that the up band and the down band, which should have degenerated at the Γ point, had split. I understand that such a phenomenon is caused by time-reversal symmetry breaking. Is the time-reversal symmetry not conserved in the Hamiltonian output by Wannier90? If so, is there a way to restore the time-reversal symmetry? If anyone knows, please answer. ################################## Isamu Ujiie Graduate School of Engineering Hokkaido University ##################################
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