.. highlight:: none .. _Subsec:interall: InterAll file ~~~~~~~~~~~~~~~~~~~~~~~~~~~ This file determines the coefficients of the generalized two-body interaction integrals :math:`I_{ijkl\sigma_1\sigma_2\sigma_3\sigma_4}` of the Hamiltonian .. math:: \mathcal{H} = \sum_{i,j,k,l}\sum_{\sigma_1,\sigma_2, \sigma_3, \sigma_4} I_{ijkl\sigma_1\sigma_2\sigma_3\sigma_4}c_{i\sigma_1}^{\dagger}c_{j\sigma_2}^{\phantom{\dagger}}c_{k\sigma_3}^{\dagger}c_{l\sigma_4}^{\phantom{\dagger}}. An example of the file format is presented below. :: ====================== NInterAll 36 ====================== ========zInterAll===== ====================== 0 0 0 1 1 1 1 0 0.50 0.0 0 1 0 0 1 0 1 1 0.50 0.0 0 0 0 0 1 0 1 0 0.25 0.0 0 0 0 0 1 1 1 1 -0.25 0.0 0 1 0 1 1 0 1 0 -0.25 0.0 0 1 0 1 1 1 1 1 0.25 0.0 2 0 2 1 3 1 3 0 0.50 0.0 2 1 2 0 3 0 3 1 0.50 0.0 2 0 2 0 3 0 3 0 0.25 0.0 2 0 2 0 3 1 3 1 -0.25 0.0 2 1 2 1 3 0 3 0 -0.25 0.0 2 1 2 1 3 1 3 1 0.25 0.0 4 0 4 1 5 1 5 0 0.50 0.0 4 1 4 0 5 0 5 1 0.50 0.0 4 0 4 0 5 0 5 0 0.25 0.0 4 0 4 0 5 1 5 1 -0.25 0.0 4 1 4 1 5 0 5 0 -0.25 0.0 4 1 4 1 5 1 5 1 0.25 0.0 … File format ^^^^^^^^^^^ - Line 1: Header - Line 2: ``[ninterall] [count]`` - Lines 3-5: Header - Lines 6-: ``[i] [s1] [j] [s2] [k] [s3] [l] [s4] [v.real] [v.imag]`` Parameters ^^^^^^^^^^ - ``[ninterall]`` **Type :** String (blank is not allowed) **Description :** An arbitrary keyword for the total number of the two-body interactions. - ``[count]`` **Type :** Integer (blank is not allowed) **Description :** An integer giving the total number of the two-body interactions. - ``[i]``, ``[j]``, ``[k]``, ``[l]`` **Type :** Integer (blank is not allowed) **Description :** An integer giving a site index (:math:`0 \le i, j, k, l < {\rm Nsite}`). - ``[s1]``, ``[s2]``, ``[s3]``, ``[s4]`` **Type :** Integer (blank is not allowed) **Description :** An integer giving a spin index: either 0 (up-spin) or 1 (down-spin). - ``[v.real]``, ``[v.imag]`` **Type :** Float (blank is not allowed) **Description :** Values for the real and imaginary parts of :math:`I_{ijkl\sigma_1\sigma_2\sigma_3\sigma_4}`, respectively. Usage ruels ^^^^^^^^^^^ - Headers cannot be omitted. - Since the Hamiltonian should be hermite, the coefficients must satisfy the relation :math:`I_{ijkl\sigma_1\sigma_2\sigma_3\sigma_4}=I_{lkji\sigma_4\sigma_3\sigma_2\sigma_1}^{\dagger}`. Otherwise, the program is terminated or a warning is reported, depending on the ``strict_hermite`` parameter. It is noted that the term of the Hermite conjugate for :math:`I_{ijkl\sigma_1\sigma_2\sigma_3\sigma_4} c_{i\sigma_1}^{\dagger}c_{j\sigma_2}c_{k\sigma_3}^{\dagger}c_{l\sigma_4}` should be read :math:`I_{lkji\sigma_4\sigma_3\sigma_2\sigma_1} c_{l\sigma_4}^{\dagger}c_{k\sigma_3}c_{j\sigma_2}^{\dagger}c_{i\sigma_1}`. - The program is terminated with error if there are duplicated entries. - The program is terminated with error when the number of entries is different from ``[count]``. - The program is terminated with error if ``[i]``, ``[j]``, ``[k]``, ``[l]``, ``[s1]``, ``[s2]``, ``[s3]``, or ``[s4]`` are outside the range of the defined values. .. raw:: latex \newpage