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 format¶
- Line 1: Header
- Lines 2-: [double01] [double02] [double03] [int01].
Parameters¶
[double01]
Type : Double
Description : Inverse temperature \(1/{k_{\rm B}T}\).
[double02]
Type : Double
Description : The norm of a wave function before normalization given by \(\langle \tilde{\psi}_{k} |\tilde{\psi}_{k}\rangle\), where \(|\tilde{\psi}_{k}\rangle \equiv(l-\hat{\mathcal H}/N_{s})|\psi_{k=1}\rangle\).
[double03]
Type : Double
Description : The norm of an initial wave function before normalization given by \(\langle \tilde{\psi}_{0} |\tilde{\psi}_{0}\rangle\), where \(|\tilde{\psi}_{0}\rangle\) is an initial random vector.
[int01]
Type : Int
Description : The number of operations of \((l-\hat{\mathcal H}/N_{s})\) for an initial wave function, where \(l\) is
LargeValuedefined in a ModPara file and \(N_{s}\) is the total number of sites.
