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Please cite as "wannhr_symm: A tool for symmetrization of non-magnetic WannierTB, Changming Yue". | ||
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New feature: if you put an empty file "write_symmop.flag" in the symmetrization folder, | ||
then representation matrices of all the space group operations in the wannier basis | ||
will be generated. This would be helful to write down Mirror matrix to calculate, e.g. | ||
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Copyright: Changming Yue, Department of Physics, Southern University of Science and Technology, Shenzhen 518055, China. | ||
Email: [email protected]; [email protected] | ||
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A tool for symmetrization of non-magnetic wannier90_hr.dat. | ||
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Generally there are some violations to symmetry of wannier Hamiltonian due to | ||
numerical errors, bad disentanglements, asymmetry of Wigner-Sceitz cell. The tool | ||
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