.. include:: ../../bib/ref.txt .. _OutputFile: 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`` :math:`\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: .. math:: \langle H \rangle, \langle H^2 \rangle, g_i, v_{ij}, \alpha_{2nt}^{d(h)}, \alpha_{4nt}^{d(h)}, f_{ij} \nonumber. 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`` :math:`\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. :ref:`InputParam`. 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. :ref:`InputParam`. 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. :ref:`InputParam`. 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. :ref:`InputParam`. 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. :ref:`InputParam`. xxx\_out\_yyy.dat ~~~~~~~~~~~~~~~~~ The calculation information at each bins are outputted in the order: .. math:: \langle H \rangle, \langle H^2 \rangle, \frac{\langle H^2 \rangle- \langle H \rangle^2 }{\langle H \rangle^2}, \langle S^z \rangle, \langle (S^z)^2 \rangle \nonumber. The type of :math:`\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`` :math:`\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 :math:`\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`` :math:`\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 :math:`i` and :math:`j` site numbers, respectively. - [int02], [int04] **Type :** Int | **Description :** The integer of the spin index: | 0: Up-spin | 1: Down-spin. | [int02] and [int04] show :math:`\sigma_1` and :math:`\sigma_2`, respectively. - [double01], [double02] **Type :** Double | **Description :** The value of :math:`\langle c_{i\sigma_1}^{\dagger}c_{j\sigma_2}\rangle`. | [double01] and [double02] show the real and imaginary part of :math:`\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 :math:`\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`` :math:`\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 :math:`i`, :math:`j`, :math:`k`, and :math:`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 :math:`\sigma_1`, :math:`\sigma_2`, :math:`\sigma_3`, and :math:`\sigma_4`, respectively. - [double01], [double02] **Type :** Double **Description :** The value of :math:`\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 :math:`\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 :math:`\langle H \rangle`, :math:`\langle H^2\rangle`, and the optimized parameter :math:`\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`` :math:`\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 :math:`\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 :math:`\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.