SS_rand.dat

(For the TPQ method) This file is outputted to show the calculation results for the TPQ method. In the restart calculation, the values are added to the previous file. An example of the file format is as follows.
# inv_tmp, energy, phys_var, phys_doublon, phys_num, step_i
0.017471  5.526334 45.390269 1.464589 6.000000 1
0.034863  5.266718 42.655559 1.434679 6.000000 2
...
31.999572  -4.814170 23.176231 0.590568 6.000000 1997
32.015596  -4.814170 23.176231 0.590568 6.000000 1998
32.031620  -4.814170 23.176231 0.590568 6.000000 1999

File name

  • SS_rand??.dat

?? indicates the number of runs in the calculation of the TPQ method.

When OutputGreenFormat=1 is specified for TPQ/cTPQ, this quantity is written to SS_tpq.dat instead. The aggregate file contains all runs, and each data row starts with set and step: set step inv_tmp energy phys_var phys_doublon phys_num. The split SS_rand??.dat files are not created in this mode.

File format

  • Line 1: Header

  • Lines 2-: [double01] [double02] [double03] [double04] [double05] [int01].

Parameters

  • [double01]

    Type : Double

    Description : Inverse temperature \(1/{k_{\rm B}T} (k_{\rm B} = 1)\).

  • [double02]

    Type : Double

    Description : The expected value of the Hamiltonian (energy) \(\langle \mathcal H \rangle\).

  • [double03]

    Type : Double

    Description : The expected value of the square of the Hamiltonian \(\langle \mathcal H^2 \rangle\).

  • [double03]

    Type : Double

    Description : The expected value of the doublon, \(\sum_{i}\langle n_{i\uparrow}n_{i\downarrow}\rangle\).

  • [double05]

    Type : Double

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

  • [int01]

    Type : Int

    Description : The number of operations of \((l-{\mathcal H}/N_{s})\) for an initial wave function, where \(l\) is LargeValue defined in a ModPara file and \(N_{s}\) is the total number of sites.