.. highlight:: none Hund file ~~~~~~~~~ This file determines the coefficients of the Hund couplings given by .. math:: \mathcal{H} = -\sum_{i,j}J_{ij}^{\rm Hund} (n_{i\uparrow}n_{j\uparrow}+n_{i\downarrow}n_{j\downarrow}) . An example of the file format is presented below. :: ====================== NHund 6 ====================== ========Hund ====== ====================== 0 1 -0.250000 1 2 -0.250000 2 3 -0.250000 3 4 -0.250000 4 5 -0.250000 5 0 -0.250000 File format ^^^^^^^^^^^ - Line 1: Header - Line 2: ``[nhund] [count]`` - Lines 3-5: Header - Lines 6-: ``[i] [j] [val]`` Parameters ^^^^^^^^^^ - ``[nhund]`` **Type :** String (blank is not allowed) **Description :** An arbitrary keyword for the total number of the Hund couplings. - ``[count]`` **Type :** Integer (blank is not allowed) **Description :** An integer giving the total number of the Hund couplings. - ``[i]``, ``[j]`` **Type :** Integer (blank is not allowed) **Description :** An integer giving a site index (:math:`0 \le i, j < {\rm Nsite}`). - ``[val]`` **Type :** Float (blank is not allowed) **Description :** A value for :math:`J_{ij}^{\rm Hund}`. Usage rules ^^^^^^^^^^^ - Headers cannot be omitted. - 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]`` or ``[j]`` are outside the range of the defined values. .. raw:: latex \newpage