Examples for different materials are prepared in the installation directory: work/wf_example.
for generating six p-orbital like Wannier functions from benzene's six molecular orbitals.
for generating maximally localized Wannier functions from four valence bands of GaAs.
for generating eight Wannier functions by including both valence and conduction bands of Si. The initial guess is sp3 hybrids.
for generating the Wannier function for graphene sheet. The initial guess is sp2 hybrids and p orbitals on carbon atoms.
for generating t-like Wannier functions for cubic perovskite CaVO without spin polarization calculation.
similar to the case of pmCVO.dat except for the inclusion of spin-orbit coupling.
similar to the case of GaAs.dat but spin-orbit coupling is included.
for generating Wannier functions for Vanadium-Benzene infinite chain, which is studied in Ref. .