Tutorial¶
This tutorial is done by using the input file
in sample/Standard/Spin/HeisenbergSquare/
.
Run HPhi/vmc.out¶
For
Calculate the ground state and the correlation function at that state.
$ ../../../../src/HPhi -s StdFace.def
For mVMC
Optimize the trial wavefunction.
$ ../../../../src/vmc.out -s StdFace.def
Add the following line in
StdFace.def
to compute the correlation function.NVMCCalMode = 1
Compute the correlation function.
$ ../../../../src/vmc.out -s StdFace.def output/zqp_opt.dat
Then the one- and two-body correlation function are written to files
in the output/
directory.
Related files
- StdFace.def (See the manuals for mVMC/
)
- zqp_opt.dat (See the manual for mVMC)
- greenone.def (Specify the index of correlation function to be computed)
- greentwo.def (Specify the index of correlation function to be computed)
Fourier transformation of correlation functions¶
Perform the Fourier transformation of the correlation function
by using the utility fourier
.
$ ../../../../tool/fourier namelist.def geometry.dat
Then the Fourier-transformed correlation functions are
written to a file in output/
.
Related files
- output/zvo_cisajs_001.dat (Results of correlation function in the site representation)
- output/zvo_cisajs.dat (Results of correlation function in the site representation)
- output/zvo_cisajscktalt_001.dat (Results of correlation function in the site representation)
- output/zvo_cisajscktalt.dat (Results of correlation function in the site representation)
- geometry.dat (Geometry)
- output/zvo_corr.dat (Correlation functions in the primitive Brillouin zone)
Display correlation functions¶
Plot the correlation function in the space
by using the utility
corplot
.
$ ../../../../tool/corplot output/zvo_corr.dat
Then the following message appears in the terminal.
##### Plot Start #####
Please specify target number from below (0 or Ctrl-C to exit):
Real Part Without ErrorBar
[ 1] Up-Up [ 2] Down-Down [ 3] Density-Density [ 4] SzSz [ 5] S+S- [ 6] S-S+
Imaginary Part Without ErrorBar
[11] Up-Up [12] Down-Down [13] Density-Density [14] SzSz [15] S+S- [16] S-S+
Real Part With ErrorBar
[21] Up-Up [22] Down-Down [23] Density-Density [24] SzSz [25] S+S- [26] S-S+
Imaginary Part With ErrorBar
[31] Up-Up [32] Down-Down [33] Density-Density [34] SzSz [35] S+S- [36] S-S+
Target :
Type a number corresponding to the quantity to be plotted (for example 4
)
and press Enter
,
then gnuplot is launched and the 3D figure is displayed (Fig. 1).

The 3D picture when Target : 4
.
The solid black lines indicate the Brillouin zone.
Related files
- kpoint.dat (k-point file for corplot)
- correlation.gp (gnuplot script)
- correlation.dat (Correlation function at wide range of k)