4.3.15. Norm_rand.dat

(For the TPQ method) This file is outputted to show the calculation process information 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_temp, global_norm, global_1st_norm, step_i
0.017471 19.046586 11.288975 1
0.034863 19.089752 11.288975 2
...
31.999572 20.802362 11.288975 1997
32.015596 20.802362 11.288975 1998
32.031620 20.802362 11.288975 1999

File name

• Norm_rand??.dat

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

File format

• Line 1: Header

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

Parameters

• [double01]

  Type : Double

  Description : Inverse temperature $1/k_{\mathrm{B}}T$.

• [double02]

  Type : Double

  Description : The norm of a wave function before normalization given by $\sqrt{⟨{\tilde{\psi }}_k|{\tilde{\psi }}_k⟩}$, where $|{\tilde{\psi }}_k⟩\equiv (l-\mathcal{H}/N_s)|{\psi }_{k=1}⟩$.

• [double03]

  Type : Double

  Description : The norm of an initial wave function before normalization given by $\sqrt{⟨{\tilde{\psi }}_0|{\tilde{\psi }}_0⟩}$, where $|{\tilde{\psi }}_0⟩$ is an initial random vector.

• [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.