[doc] updated SVO tutorial

doc/tutorials/SVO_os_qe/dmft_config.toml

@@ -0,0 +1,37 @@
+[general]
+seedname = "svo"
+jobname = "out"
+enforce_off_diag = true
+block_threshold = 0.001
+
+prec_mu = 0.001
+
+h_int_type = "kanamori"
+U = 2.0
+J = 0.65
+
+mu_initial_guess = 12.297745
+
+beta = 40
+
+n_iter_dmft = 8
+
+dc_type = 1
+dc = true
+dc_dmft = false
+
+calc_energies = false
+sigma_mix = 1.0
+
+h5_save_freq = 2
+
+[solver]
+type = "cthyb"
+n_l = 35
+length_cycle = 120
+n_warmup_cycles = 8000
+n_cycles_tot = 10e+6
+imag_threshold = 1e-5
+measure_G_l = true
+perform_tail_fit = false
+

doc/tutorials/SVO_os_qe/run_MIT_coarse.sh

@@ -5,59 +5,56 @@ for J in 0.0 0.25 0.5 0.75 1.0
   echo "Creating directory for J=$J eV"
   for U in {2..10..2}
   #for U in 2 7
-    do 
+    do
        echo "Creating directory for U=$U eV"
        mkdir -p "./J$J/U$U/"
        cp ./svo.h5  "./J$J/U$U/svo.h5"
-       cat > "./J$J/U$U/dmft_config.ini" << EOF
+       cat > "./J$J/U$U/dmft_config.toml" << EOF
 [general]
-seedname = svo
-jobname = out
-enforce_off_diag = True
-block_threshold= 0.001
-
-solver_type = cthyb  
-n_l = 35
+seedname = "svo"
+jobname = "out"
+enforce_off_diag = true
+block_threshold = 0.001
 
 prec_mu = 0.001
 
-h_int_type = kanamori
-U = $U.0
+h_int_type = "kanamori"
+U = $U
 J = $J
 
+mu_initial_guess = 12.297745
+
 beta = 40
 
 n_iter_dmft = 8
 
 dc_type = 1
-dc = True
-dc_dmft = False
+dc = true
+dc_dmft = false
 
-calc_energies = False
+calc_energies = false
 sigma_mix = 1.0
 
 h5_save_freq = 2
-load_sigma = False
 
 [solver]
+type = "cthyb"
+n_l = 35
 length_cycle = 120
 n_warmup_cycles = 8000
 n_cycles_tot = 10e+6
 imag_threshold = 1e-5
-measure_g_l = True
-measure_g_tau =True
-measure_density_matrix = True
-
-perform_tail_fit = False
+measure_G_l = true
+perform_tail_fit = false
 
 EOF
   cd "./J$J/U$U/"
   echo "I am in folder:"
   pwd
   echo "Running the DMFT cycle for parameters: U=$U eV, J=$J eV"
-  
+
   mpirun -n 72 solid_dmft
-  
+
   cd ..
   cd ..
  done

doc/tutorials/SVO_os_qe/run_MIT_fine.sh

@@ -8,45 +8,43 @@ for J in 0.0 0.25 0.5 0.75 1.0
        echo "Creating directory for U=$U eV"
        mkdir -p "./J$J/U$U/"
        cp ./svo.h5  "./J$J/U$U/svo.h5"
-       cat > "./J$J/U$U/dmft_config.ini" << EOF
+       cat > "./J$J/U$U/dmft_config.toml" << EOF
 [general]
-seedname = svo
-jobname = out
-enforce_off_diag = True
-block_threshold= 0.001
-
-solver_type = cthyb  
-n_l = 35
+seedname = "svo"
+jobname = "out"
+enforce_off_diag = true
+block_threshold = 0.001
 
 prec_mu = 0.001
 
-h_int_type = kanamori
+h_int_type = "kanamori"
 U = $U
 J = $J
 
+mu_initial_guess = 12.297745
+
 beta = 40
 
 n_iter_dmft = 8
 
 dc_type = 1
-dc = True
-dc_dmft = False
+dc = true
+dc_dmft = false
 
-calc_energies = False
+calc_energies = false
 sigma_mix = 1.0
 
 h5_save_freq = 2
 
 [solver]
+type = "cthyb"
+n_l = 35
 length_cycle = 120
 n_warmup_cycles = 8000
 n_cycles_tot = 10e+6
 imag_threshold = 1e-5
-measure_g_l = True
-measure_g_tau =True
-measure_density_matrix = True
-
-perform_tail_fit = False
+measure_G_l = true
+perform_tail_fit = false
 
 EOF
   cd "./J$J/U$U/"