def __init__(self, folder, prefix): """ folder # The folder containing the Wannier function files prefix, # The prefix of Wannier90 outputs. e.g. wannier90_up """ m = Model.from_wannier_folder(folder=folder, prefix=prefix) self.model = ijR.from_tbmodel(m)
def save_Wannier_model(): m = Model.from_wannier_folder(folder='/home/hexu/projects/SMO_Wannier/', prefix='abinito_w90_down') mijR = ijR.from_tbmodel(m) mijR.save(fname='SMO_tb.nc')