CoulombIntra file

This file determines the values of the on-site interactions \(U_i\) (for \(S=1/2\) system),

Note

For spinless fermion models (CalcModel=7, 8), on-site Coulomb interactions have no physical meaning since there are no spin degrees of freedom. Specifying this file for spinless fermion models will result in an error.

(4.9)\[{\mathcal H}+=\sum_{i}U_i n_ {i \uparrow}n_{i \downarrow}.\]

An example of the file format is as follows.

======================
NCoulombIntra 6
======================
==== CoulombIntra ====
======================
   0  4.000000
   1  4.000000
   2  4.000000
   3  4.000000
   4  4.000000
   5  4.000000

File format

  • Line 1: Header

  • Line 2: [string01] [int01]

  • Lines 3-5: Header

  • Lines 6-: [int02] [double01].

Parameters

  • [string01]

    Type : String (a blank parameter is not allowed)

    Description : A keyword for the total number of on-site interactions. 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 on-site interactions.

  • [int02]

    Type : Int (a blank parameter is not allowed)

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

  • [double01]

    Type : Double (a blank parameter is not allowed)

    Description : A value for \(U_i\).

Use rules

  • Headers cannot be omitted.

  • A program is terminated when the components of on-site interactions are double counted.

  • A program is terminated when [int01] is different from the total number of on-site interactions defined in this file.

  • A program is terminated when [int02] is outside the range of the defined values.