.. highlight:: none .. _Subsec:locspn: LocSpin file ------------ | This file determines sites with localized spins. The file format is as follows. :: ================================ NlocalSpin 6 ================================ ========i_0LocSpn_1IteElc ====== ================================ 0 1 1 0 2 1 3 0 4 1 5 0 6 1 7 0 8 1 9 0 10 1 11 0 .. _file_format_3: File format ~~~~~~~~~~~ * Line 1: Header * Line 2: [string01] [int01] * Lines 3-5: Header * Lines 6-: [int02] [int03]. .. _parameters_3: Parameters ~~~~~~~~~~ * [string01] **Type :** String (a blank parameter is not allowed) **Description :** A keyword for the total number of localized spins. 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 localized spins. * [int02] **Type :** Int (a blank parameter is not allowed) **Description :** An integer giving a site index (:math:`0<=` [int02] :math:`<` ``Nsite``). * [int03] **Type :** Int (a blank parameter is not allowed) | **Description :** An integer for selecting an electron state whether the electron state is a localized spin or an itinerant electron state: | 0: Itinerant electron state :math:`n>`\0: Localized spin state with :math:`2S=n`. .. _use_rules_3: Use rules ~~~~~~~~~ * Headers cannot be omitted. * A program is terminated when [int01] is different from the total number of localized spins indicated by [int03]. * A program is terminated, when [int02] is different from the total number of sites. * A program is terminated under the condition [int02] :math:`<0` or ``Nsite`` :math:`<=` [int02]. .. raw:: latex \newpage