Add sample for the dinamical green's function with Fourier trans.

issp-center-dev · Mar 30, 2019 · b0b9569 · b0b9569
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Showing 11 changed files with 75 additions and 9 deletions.
diff --git a/samples/Spectrum/Scratch/README.md b/samples/Spectrum/Scratch/README.md
@@ -0,0 +1,19 @@
+# 14-site Heisenberg model on Chain lattice
+
+Compute the Sz-Sz dynamical correlation function
+and plot the imaginary part.
+
+``` bash
+$ HPhi -s stan.in
+$ echo "2 6
+G 0.0 0.0 0.0
+X 0.0 0.5 0.0
+" >> geometry.dat
+$ dynamicalr2k namelist.def geometry.dat
+$ gnuplot
+```
+
+``` gnuplot
+gnuplot> load "kpath.gp"
+gnuplot> splot [][][0:] "output/zvo_dyn.dat" u 1:2:(-$4) w l
+```
diff --git a/samples/Spectrum/Scratch/stan.in b/samples/Spectrum/Scratch/stan.in
@@ -0,0 +1,11 @@
+model = Spin
+lattice = Chain
+method = CG
+L = 12
+2Sz = 0
+J = 1.0
+CalcSpec = Scratch
+SpectrumType = SzSz_r
+OmegaIm = 0.1
+OmegaMin = -6.0
+OmegaMax = -2.0
diff --git a/test/fulldiag_genspin_ladder.sh b/test/fulldiag_genspin_ladder.sh
@@ -67,7 +67,11 @@ cat > reference.dat <<EOF
   13.500000   0.000000   0.000000  42.000000   0.000000
 EOF
 paste output/zvo_phys_Nup2_Ndown2.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_genspingc_ladder.sh b/test/fulldiag_genspingc_ladder.sh
@@ -38,7 +38,11 @@ cat > reference.dat <<EOF
   10.750000   2.000000   2.000000  12.000000   0.000000
 EOF
 paste output/zvo_phys.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_hubbard_chain.sh b/test/fulldiag_hubbard_chain.sh
@@ -58,7 +58,11 @@ cat > reference.dat <<EOF
   10.102748   4.000000   0.000000  -0.000000   1.712675
 EOF
 paste output/zvo_phys_Nup2_Ndown2.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_hubbardgc_tri.sh b/test/fulldiag_hubbardgc_tri.sh
@@ -87,7 +87,11 @@ cat > reference.dat <<EOF
   17.544004   4.000000   0.000000   0.000000   1.441479
 EOF
 paste output/zvo_phys.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_kondo_chain.sh b/test/fulldiag_kondo_chain.sh
@@ -78,7 +78,12 @@ cat > reference.dat <<EOF
    4.772002   6.000000  -0.000000  -0.000000   0.354557
 EOF
 paste output/zvo_phys_Nup3_Ndown3.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
+echo "Diff : " $diff
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_kondogc_chain.sh b/test/fulldiag_kondogc_chain.sh
@@ -84,7 +84,11 @@ cat > reference.dat <<EOF
    4.744563   4.000000   0.000000   0.876035   0.380558
 EOF
 paste output/zvo_phys.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_spin_tri.sh b/test/fulldiag_spin_tri.sh
@@ -43,7 +43,11 @@ cat > reference.dat <<EOF
    4.500000   0.000000   0.000000  12.000000   0.000000
 EOF
 paste output/zvo_phys_Nup3_Ndown3.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/test/fulldiag_spingc_tri.sh b/test/fulldiag_spingc_tri.sh
@@ -86,7 +86,11 @@ cat > reference.dat <<EOF
    4.500000   6.000000   3.000000  12.000000   0.000000
 EOF
 paste output/zvo_phys.dat reference.dat > paste.dat
-diff=`awk 'BEGIN{diff=0.0} NR>1{diff+=sqrt(($1-$6)*($1-$6))} END{printf "%8.6f", diff}' paste.dat`
+diff=`awk '
+BEGIN{diff=0.0} 
+NR>1{diff+=sqrt(($1-$6)*($1-$6))} 
+END{printf "%8.6f", diff/NR}
+' paste.dat`
 test "${diff}" = "0.000000"
 
 exit $?
diff --git a/tool/dynamicalr2k.F90 b/tool/dynamicalr2k.F90
@@ -486,7 +486,10 @@ SUBROUTINE output_cor()
      WRITE(fo,'(a,a,a,f10.5,a)',advance="no") "'", TRIM(kname(inode)), "'  ", xk_label(inode), ", "
   END DO
   WRITE(fo,'(a,a,a,f10.5,a)') "'", TRIM(kname(nnode)), "' ", xk_label(nnode), ")"
-  WRITE(fo,'(a)') "set ylabel 'Frequency'"
+  WRITE(fo,'(a)') "set ylabel 'Energy from E_0'"
+  WRITE(fo,'(a)') "set zlabel 'Spectrum' rotate"
+  WRITE(fo,'(a)') "set ticslevel 0"
+  WRITE(fo,'(a)') "set xzeroaxis"
   WRITE(fo,'(a)') "set grid xtics lt 1 lc 0"
   !
   CLOSE(fo)