Esempio n. 1
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    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)
Esempio n. 2
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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')