4.2.14. OneBodyG file

This file determines the target components of the one-body Green’s function \(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}\rangle\). An example of the file format is as follows.

===============================
NCisAjs         24
===============================
======== Green functions ======
===============================
    0     0     0     0
    0     1     0     1
    1     0     1     0
    1     1     1     1
    2     0     2     0
    2     1     2     1
    3     0     3     0
    3     1     3     1
    4     0     4     0
    4     1     4     1
    5     0     5     0
    5     1     5     1
    6     0     6     0
    6     1     6     1
    7     0     7     0
    7     1     7     1
    8     0     8     0
    8     1     8     1
    9     0     9     0
    9     1     9     1
   10     0    10     0
   10     1    10     1
   11     0    11     0
   11     1    11     1

File format

  • Line 1: Header
  • Line 2: [string01] [int01]
  • Lines 3-5: Header
  • Lines 6-: [int02]  [int03]  [int04]  [int05].

Parameters

  • [string01]

    Type : String (a blank parameter is not allowed)

    Description : A keyword for the total number of one-body Green’s functions. 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 one-body Green’s functions.

  • [int02], [int04]

    Type : Int (a blank parameter is not allowed)

    Description : An integer giving a site index (\(0<=\) [int02], [int04] \(<\) Nsite).

  • [int03], [int05]

    Type : Int (a blank parameter is not allowed)

    Description : An integer giving a spin index:
    For Hubbard or Kondo system, the index can be selected from
    0: Up-spin,
    1: Down-spin.
    For Spin system, the index can be selected from
    \(0, 1, \cdots, 2S+1\) (corresponding to -\(S-0.5, -S+0.5, \cdots S+0.5\)).

Use rules

  • Headers cannot be omitted.
  • A program is terminated when the components of the one-body Green’s functions are double counted.
  • A program is terminated when [int01] is different from the total number of one-body Green’s functions defined in this file.
  • A program is terminated when [int02]-[int05] are outside the range of the defined values.