4.3.16. 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.

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