example21
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# Symmetry-adapted mode Additional input in GaAs.win file site_symmetry = .true. (default value is .false.) symmetrize_eps = 1d-9 (default value is 1d-3 ) Additional input in GaAs.pw2wan file write_dmn = .true. Working directories atom_centered_As_sp : one s-like and three p-like Wannier functions centered at As atom_centered_Ga_p : three p-like Wannier functions centered at Ga atom_centered_Ga_s : one s-like Wannier function centered at Ga atom_centered_Ga_sp : one s-like and three p-like Wannier functions centered at Ga bond_centered : four bond-centered Wannier functions in symmetry-adapted mode