4.3.23. phys.dat

(For the FullDiag method) This file is outputted to show the physical values calculated by the FullDiag method. The data are outputted in descending order for energies. An example of the file format is as follows.
<H>         <N>        <Sz>       <S2>       <D>
 -4.814170   0.000000   0.000000  -0.000000   0.590568
 -3.796850   0.000000   0.000000   1.333333   0.423804
...
14.489622   0.000000   0.000000   0.000000   2.550240
14.852520   0.000000   0.000000   0.000000   2.329157

File name

  • Canonical ensemble: ##_phys_Nup_$$Ndown%%.dat
  • Grand canonical ensemble: ##_phys.dat.

##, $$, and %% indicate [string02], Nup, and Ndown defined in a ModPara file, respectively.

File format

  • Line 1: Header
  • Lines 2-: [double01] [double02] [double03] [double04] [double05].

Parameters

  • [double01]

    Type : Double

    Description : The energy \(\langle \mathcal H\rangle\).

  • [double02]

    Type : Double

    Description : The total number of particles \(\langle \hat{n}\rangle\).

  • [double03]

    Type : Double

    Description : The expected value of \(S_z\), \(\langle S_z\rangle\).

  • [double04]

    Type : Double

    Description : The expected value of \({\boldsymbol S}^2\) , \(\langle {\boldsymbol S}^2 \rangle\).

  • [double05]

    Type : Double

    Description : The expected value of doublon, \(\frac{1}{N_s} \sum_{i}\langle n_{i\uparrow}n_{i\downarrow}\rangle\) (\(N_{s}\) is the total number of sites).