8.3. Input parameter for Standard modeΒΆ

We show the following example of the input file.

model = "Hubbard"
lattice = "wannier90"
a0w = 2
a0l = 0
a0h = 2
a1w = 0
a1l = 2
a1h = 2
a2w = 1
a2l = 0
a2h = 0
method = "CG"
2Sz = 0
nelec = 4
exct = 1
cutoff_t = 0.2
cutoff_u = 0.4
cutoff_j = 0.1

The input parameters for the Standard mode to perform calculation of the downfolded model are as follows:

  • lattice = "wannier90"

  • cutoff_t, cutoff_u, cutoff_j

    Type : float

    Default : 1.0e-8

    The cutoff for the hopping, Coulomb, exchange integrals. We ignore these integrals smaller than cutoffs.

  • cutoff_tW, cutoff_tL, cutoff_tH

  • cutoff_UW, cutoff_UL, cutoff_UH

  • cutoff_JW, cutoff_JL, cutoff_JH

    Type : Integer

    Default : Including all range

    The cutoff for the hopping, Coulomb, exchange integrals. We ignore these integrals that have lattice vector \({\bf R}\) larger than these values.

  • cutoff_length_t, cutoff_length_U, cutoff_length_J

    Type : float

    Default : -1.0 (Including all range)

    The cutoff for the hopping, Coulomb, exchange integrals. We ignore these integrals whose distance is longer than this value. Its distance id computed with the position of the Wannier center and unit lattice vectors.

  • W, L, Height

  • a0W, a0L, a0H, a1W, a1L, a1H, a2W, a2L, a2H

  • Wsub, Lsub, Hsub

  • a0Wsub, a0Lsub, a0Hsub, a1Wsub, a1Lsub, a1Hsub, a2Wsub, a2Lsub, a2Hsub

    The third dimension appears.