Examples for different materials are prepared in the installation directory: work/wf_example.

- Benzene.dat
for generating six p-orbital like Wannier functions from benzene's six molecular orbitals.

- GaAs.dat
for generating maximally localized Wannier functions from four valence bands of GaAs.

- Si.dat
for generating eight Wannier functions by including both valence and conduction bands of Si. The initial guess is sp3 hybrids.

- symGra.dat
for generating the Wannier function for graphene sheet. The initial guess is sp2 hybrids and p orbitals on carbon atoms.

- pmCVO.dat
for generating t-like Wannier functions for cubic perovskite CaVO without spin polarization calculation.

- NC_CVO.dat
similar to the case of pmCVO.dat except for the inclusion of spin-orbit coupling.

- GaAs_NC.dat
similar to the case of GaAs.dat but spin-orbit coupling is included.

- VBz.dat
for generating Wannier functions for Vanadium-Benzene infinite chain, which is studied in Ref. [62].

2016-04-03