4.2.19. OneBodyTE File

This file determines the values of the transfer integrals $t_{ij{\sigma }_1{\sigma }_2}(t)$ at each time $t$,

(4.18)$$\mathcal{H}(t)+=-\sum _{ij{\sigma }_1{\sigma }_2}{t}_{ij{\sigma }_1{\sigma }_2}(t)c_{i{\sigma }_1}^{†}{c}_{j{\sigma }_2}.$$

An example of the file format is as follows.

==================================
AllTimeStep         100
==================================
===== OneBody Time Evolution =====
==================================
    0.0   4
    0  0  1  0      1.0    0.0
    1  0  0  0      1.0    0.0
    0  1  1  1      1.0    0.0
    1  1  0  1      1.0    0.0
    0.2   4
   (continue...)

File format

• Line 1: Header

• Line 2: [string01] [int01]

• Lines 3-5: Header

From line 6, time $t$ and total number of transfer integrals $N(t)$ are first defined and next the transfer integrals $t_{ij{\sigma }_1{\sigma }_2}(t)$ are defined.

• Line m: [double01]  [int02]

• Lines (m+1) - (m+1+[int02]): [int03]  [int04]  [int05]  [int06]  [double02]  [double03]

Parameters

• [string01]

  Type : String (a blank parameter is not allowed)

  Description : A keyword for the total number of transfer integrals. You can freely give a name to the keyword.

• [int01]

  Type : Int (a blank parameter is not allowed)

  Description : An integer giving the total time steps defined in this file.

• [double01]

  Type : Double (a blank parameter is not allowed)

  Description : Time $t$.

• [int02]

  Type : Int (a blank parameter is not allowed)

  Description : An integer giving the total number of transfer integrals at time $t$.

• [int03], [int05]

  Type : Int (a blank parameter is not allowed)

  Description : An integer giving a site index ($0<=$ [int03], [int05] $<$ Nsite).

• [int04], [int06]

  Type : Int (a blank parameter is not allowed)

  Description : An integer giving a spin index:

  0: Up-spin

  1: Down-spin.

• [double02], [double03]

  Type : Double (a blank parameter is not allowed)

  Description : A value for real and imaginary part of $t_{ij{\sigma }_1{\sigma }_2}(t)$ at time $t$ is defined [double02] and [double03], respectively.

Use rules

• Headers cannot be omitted.

• A program is terminated when LanczosStep defined in ModPara is greater than [int02].

• A program is terminated when [int03]-[int06] are outside the range of the defined values.