4.3.7. WarningOnTransfer.dat

This file shows the double counted components of transfer integrals. An example of the file format is as follows.

double conuntings in transfers: i=0 j=2 spni 0 spnj 0
double conuntings in transfers: i=2 j=0 spni 0 spnj 0
double conuntings in transfers: i=0 j=2 spni 1 spnj 1
double conuntings in transfers: i=2 j=0 spni 1 spnj 1

File format

  • Double countings in transfers: i=[int01] j=[int02] spni [int03] spnj [int04]

Parameters

  • [int01], [int02]

    Type : Int

    Description : The integer of the site number where the transfer integrals are double counted.

  • [int03], [int04]

    Type : Int

    Description : The integer of the spin index of a transfer integral:
    0: Up-spin
    1: Down-spin.