.. highlight:: none Exchange file ------------- This file determines the values of Exchange couplings :math:`J_{ij}^{\rm Ex}` (for :math:`S=1/2` system). For the fermion electronic system, the exchange terms are given as .. math:: \mathcal H+=\sum_{i,j}J_{ij}^{\rm Ex} (c_ {i \uparrow}^{\dagger}c_{j\uparrow}c_{j \downarrow}^{\dagger}c_{i \downarrow}+c_ {i \downarrow}^{\dagger}c_{j\downarrow}c_{j \uparrow}^{\dagger}c_{i \uparrow}), while for the spin system, they are given as .. math:: \mathcal H+=\sum_{i,j}J_{ij}^{\rm Ex} (S_ {i}^{+}S_{j}^{-} + S_ {i}^{-}S_{j}^{+}). **We note that** :math:`(S_i^{+}S_j^{-} + S_i^{-}S_j^{+})` **in the spin system is written by the operators for electrons as** :math:`-(c_ {i \uparrow}^{\dagger}c_{j\uparrow}c_{j \downarrow}^{\dagger}c_{i \downarrow} +c_ {i \downarrow}^{\dagger}c_{j\downarrow}c_{j \uparrow}^{\dagger}c_{i \uparrow})`. An example of the file format is as follows. :: ====================== NExchange 6 ====================== ========Exchange ====== ====================== 0 1 0.50000 1 2 0.50000 2 3 0.50000 3 4 0.50000 4 5 0.50000 5 0 0.50000 .. _file_format_10: File format ~~~~~~~~~~~ * Line 1: Header * Line 2: [string01] [int01] * Lines 3-5: Header * Lines 6-: [int02] [int03] [double01]. .. _parameters_10: Parameters ~~~~~~~~~~ * [string01] **Type :** String (a blank parameter is not allowed) **Description :** A keyword for the total number of Exchange couplings. You can freely give a name to the keyword. * [int01] **Type :** Int (a blank parameter is not allowed) **Description :** An integer giving the total number of Exchange couplings. * [int02], [int03] **Type :** Int (a blank parameter is not allowed) **Description :** An integer giving a site index (:math:`0<=` [int02], [int03] :math:`<` ``Nsite``). * [double01] **Type :** Double (a blank parameter is not allowed) **Description :** A value for :math:`J_{ij}^{\rm Ex}`. .. _use_rules_10: Use rules ~~~~~~~~~ * Headers cannot be omitted. * A program is terminated when the components of the exchange couplings are double counted. * A program is terminated when [int01] is different from the total number of exchange couplings defined in this file. * A program is terminated when either [int02] or [int03] is outside the range of the defined values. .. raw:: latex \newpage