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
.[double02]
Type : Double
Description : The total number of particles
.[double03]
Type : Double
Description : The expected value of
, .[double04]
Type : Double
Description : The expected value of
, .[double05]
Type : Double
Description : The expected value of doublon,
( is the total number of sites).