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).
