Output files¶
The list of output files are shown in Table [Table:Output], where ***
and xxx are the header indicated by
CParaFileHead,``CDataFileHead`` in ModPara file, respectively.
yyy is a number given by
NDataIdxStart \(\cdots\) NDataIdxStart + NDataQtySmp,
where both NDataIdxStart and NDataQtySmp are defined in
ModPara file and zzz is a number given by NDataIdxStart in
ModPara.
Name |
Details for corresponding files |
|---|---|
***_opt.dat |
All optimized parameters. |
***_gutzwiller_opt.dat |
Optimized gutzwiller factors. |
***_jastrow_opt.dat |
Optimized jastrow factors. |
***_doublonHolon2site_opt.dat |
Optimized 2-site doublon-holon correlation factors. |
***_doublonHolon4site_opt.dat |
Optimized 4-site doublon-holon correlation factors. |
***_orbital_opt.dat |
Optimized pair orbital factors. |
xxx_out_yyy.dat |
Energy and deviation. |
xxx_var_yyy.dat |
Progress information for optimizing variational parameters. |
xxx_CalcTimer.dat |
Computation time for each processes. |
xxx_time_zzz.dat |
Progress information for MonteCalro samplings. |
xxx_cisajs_yyy.dat |
One body Green’s functions. |
xxx_cisajscktalt_yyy.dat |
Correlation functions. |
Output file for variational parameters (***_opt.dat)¶
The average and deviation values of variational parameters and the energy optimized by the SR method are outputted in the following order:
The type of average values is a complex number, while that of the
deviation is a real number. Since the initial values of all variational
parameters are specified at the beginning of the calculation, the
calculation of physical quantities is done by using this file.
Here, *** is the header indicated by CParaFileHead in ModPara
file.
Output files for variational parameters at each step (xxx_var_yyy.dat)¶
The average and deviation values of variational parameters and the
energy optimized by the SR method are postscripted by the order same as
$$$_opt.dat file (the deviation is always outputted as 0). Here, xxx is
the header indicated by CDataFileHead in ModPara file and yyy is
a number given by
NDataIdxStart \(\cdots\) NDataIdxStart + NDataQtySmp,
where both NDataIdxStart and NDataQtySmp are defined in
ModPara file.
Output file for gutzwiller factors (***_gutzwiller_opt.dat)¶
The optimized Gutzwiller factors by SR method are outputted. The file
format is same as the InGutzwiller file defined in Sec.
Files to set initial values of variational parameters.
Output file for jastrow factors (***_jastrow_opt.dat)¶
The optimized Jastrow factors by SR method are outputted. The file
format is same as the InJastrow file defined in Sec.
Files to set initial values of variational parameters.
Output file for doublonHolon 2-site factors (***_doublonHolon2site_opt.dat)¶
The optimized 2-site doublon-holon correlation factors by SR method are
outputted. The file format is same as the InDH2 file defined in Sec.
Files to set initial values of variational parameters.
Output file for doublonHolon 4-site factors (***_doublonHolon4site_opt.dat)¶
The optimized 4-site doublon-holon correlation factors by SR method are
outputted. The file format is same as the InDH4 file defined in Sec.
Files to set initial values of variational parameters.
Output file for pair orbitals (***_orbital_opt.dat)¶
The optimized pair orbitals by SR method are outputted. The file format
is same as the InOrbital file defined in Sec. Files to set initial values of variational parameters.
xxx_out_yyy.dat¶
The calculation information at each bins are outputted in the order:
The type of \(\langle H \rangle\) is a complex number, and that of
the others is a real number. Here, xxx is the header indicated by
CDataFileHead in ModPara file and yyy is a number given by
NDataIdxStart \(\cdots\) NDataIdxStart + NDataQtySmp,
where both NDataIdxStart and NDataQtySmp are defined in
ModPara file. An example of outputted file is shown as follows.
1.151983765704212992e+01 8.124622418360909482e-01 \
1.619082955438887268e+02 2.019905203939084959e-01
1.288482613817423150e+01 5.006903733262847433e-01
1.972000325276957824e+02 1.824505193695792893e-01
1.308897206011880421e+01 5.701244886956570168e-01 \
2.072610167083121837e+02 2.029162857569105916e-01
...
xxx_CalcTimer.dat¶
After finishing the calculation, the processing time is outputted in the order of the name, the number assigned by the process, and the seconds at each process. An example of outputted file is shown as follows.
All [0] 15.90724
Initialization [1] 0.04357
read options [10] 0.00012
ReadDefFile [11] 0.00082
SetMemory [12] 0.00002
InitParameter [13] 0.03026
VMCParaOpt [2] 15.86367
VMCMakeSample [3] 12.85650
...
xxx_time_zzz.dat¶
The calculation information at each bins are outputted in the order of
the sampling number, the acceptance ratio for hopping and exchange term
(acc_hopp, acc_ex), trial numbers to update for hopping and exchange
term (n_hopp, n_ex), and the time stamp. Here, xxx is the header
indicated by CDataFileHead in ModPara file and zzz is a number
given by NDataIdxStart in ModPara. An example of outputted file
is shown as follows.
00000 acc_hop acc_ex n_hop n_ex : Mon Jul 25 14:03:29 2016
00001 0.59688 0.00000 320 0 : Mon Jul 25 14:03:30 2016
00002 0.47727 0.00000 176 0 : Mon Jul 25 14:03:30 2016
00003 0.50000 0.00000 176 0 : Mon Jul 25 14:03:30 2016
00004 0.49432 0.00000 176 0 : Mon Jul 25 14:03:30 2016
00005 0.57386 0.00000 176 0 : Mon Jul 25 14:03:30 2016
00006 0.55114 0.00000 176 0 : Mon Jul 25 14:03:30 2016
…
xxx_cisajs_yyy.dat¶
This file is the outputted files for one-body Green’s function
\(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}\rangle\). The target
components are set in the input file with the keyword “OneBodyG”. Here,
xxx is the header indicated by CDataFileHead in ModPara file and
yyy is a number given by
NDataIdxStart \(\cdots\) NDataIdxStart + NDataQtySmp,
where both NDataIdxStart and NDataQtySmp are defined in
ModPara file.
An example of the file format is as follows.
0 0 0 0 0.4452776740 0.0000000000
0 1 0 1 0.4452776740 0.0000000000
1 0 1 0 0.5000000000 0.0000000000
1 1 1 1 0.5000000000 0.0000000000
2 0 2 0 0.4452776740 0.0000000000
2 1 2 1 0.4452776740 0.0000000000
3 0 3 0 0.5000000000 0.0000000000
3 1 3 1 0.5000000000 0.0000000000
...
File format¶
[int01] [int02] [int03] [int04] [double01] [double02]
Parameters¶
[int01], [int03]
Type : Int
Description : The integer of the site number. [int01] and [int03] show the \(i\) and \(j\) site numbers, respectively.
[int02], [int04]
Type : Int
Description : The integer of the spin index:0: Up-spin1: Down-spin.[int02] and [int04] show \(\sigma_1\) and \(\sigma_2\), respectively.[double01], [double02]
Type : Double
Description : The value of \(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}\rangle\).[double01] and [double02] show the real and imaginary part of \(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}\rangle\), respectively.
xxx_cisajscktalt_yyy.dat¶
This file is the outputted files for the two-body Green’s function
\(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}c_{k\sigma_3}^{\dagger}c_{l\sigma_4}\rangle\).
The target components are set in the input file with the keyword
“TwoBodyG”. Here, xxx is the header indicated by CDataFileHead in
ModPara file and yyy is a number given by
NDataIdxStart \(\cdots\) NDataIdxStart + NDataQtySmp,
where both NDataIdxStart and NDataQtySmp are defined in
ModPara file. An example of the file format is as follows.
0 0 0 0 0 0 0 0 0.4452776740 0.0000000000
0 0 0 0 0 1 0 1 0.1843355815 0.0000000000
0 0 0 0 1 0 1 0 0.1812412105 0.0000000000
0 0 0 0 1 1 1 1 0.2640364635 0.0000000000
0 0 0 0 2 0 2 0 0.0279690007 0.0000000000
0 0 0 0 2 1 2 1 0.2009271524 0.0000000000
0 0 0 0 3 0 3 0 0.2512810778 0.0000000000
0 0 0 0 3 1 3 1 0.1939965962 0.0000000000
...
File format¶
[int01] [int02] [int03] [int04] [int05] [int06] [int07] [int08] [double01] [double02].
Parameters¶
[int01], [int03],[int05], [int07]
Type : Int
Description : The integer of the site number. [int01], [int03], [int05], and [int07] show the \(i\), \(j\), \(k\), and \(l\) site numbers, respectively.
[int02], [int04],[int06], [int08]
Type : Int
Description : The integer of the spin index:
0: Up-spin
1: Down-spin.
[int02], [int04], [int06], and [int08] show \(\sigma_1\), \(\sigma_2\), \(\sigma_3\), and \(\sigma_4\), respectively.
[double01], [double02]
Type : Double
Description : The value of \(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}c_{k\sigma_3}^{\dagger}c_{l\sigma_4}\rangle\). [double01] and [double02] show the real and imaginary part of \(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}c_{k\sigma_3}^{\dagger}c_{l\sigma_4}\rangle\), respectively.
xxx_ls_out_yyy.dat¶
This file is the outputted files for \(\langle H \rangle\),
\(\langle H^2\rangle\), and the optimized parameter \(\alpha\)
obtained by Power Lanczos method. This file is outputted when
NVMCCalMode = 1, NLanczosmode = 1 or 2 are set in ModPara
file. Here, xxx is the header indicated by CDataFileHead in
ModPara file and yyy is a number given by
NDataIdxStart \(\cdots\) NDataIdxStart + NDataQtySmp,
where both NDataIdxStart and NDataQtySmp are defined in
ModPara file.
xxx_ls_cisajs_yyy.dat¶
This file is the outputted files for one-body Green’s function
\(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}\rangle\) obtained by
Power Lanczos method. The file format is same as the
xxx_cisajs_yyy.dat file. This file is outputted when NVMCCalMode =
1, NLanczosmode = 2 are set in ModPara file.
xxx_ls_cisajscktalt_yyy.dat¶
This file is the outputted files for the two-body Green’s function
\(\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}c_{k\sigma_3}^{\dagger}c_{l\sigma_4}\rangle\)
obtained by Power Lanczos method. The file format is same as the
xxx_cisajscktalt_yyy.dat file. This file is outputted when
NVMCCalMode = 1, NLanczosmode = 2 are set in ModPara file.
