usgs-coupled · scharlton2 · Sep 24, 2024 · Sep 17, 2024 · Sep 19, 2024 · Sep 20, 2024
diff --git a/database/Amm.dat b/database/Amm.dat
@@ -213,7 +213,7 @@ H2O = OH- + H+
 	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
 	-gamma 3.5 0
 	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
-	-viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH
+	-viscosity -2.26e-2 0.106 2.184e-2  -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH
 	-dw 5.27e-9 478 0.8695
 2 H2O = O2 + 4 H+ + 4 e-
 	-log_k -86.08
@@ -243,11 +243,13 @@ CO3-2 + 2 H+ = CO2 + H2O
 	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
 	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
 	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
+	-viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
 	-log_k -1.8
 	-analytical_expression 8.68 -0.0103 -2190
 	-Vm 14.58 1.84 4.14 -2.46 -3.2
+	-viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
 	-log_k 41.071
@@ -446,8 +448,8 @@ Mg+2 + F- = MgF+
 	-delta_h 3.2 kcal
 	-gamma 4.5 0
 	-Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
-Na+ + OH- = NaOH
-	-log_k -10 # remove this complex
+# Na+ + OH- = NaOH
+	# -log_k -14.7 # remove this complex
 Na+ + HCO3- = NaHCO3
 	-log_k -0.06; -delta_h 21 kJ
 	-gamma 0 0.2
@@ -1938,15 +1940,15 @@ END
 # For details, consult ref. 1.
 # =============================================================================================
 # The viscosity is calculated with a (modified) Jones-Dole equation:
-#    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
+#    viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i)
 # Parameters are for calculating the B and D terms:
 #    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
 #    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
 #    z_i is absolute charge number, m_i is molality of i
 #    B_i = b0 + b1 exp(-b2 * tc)
 #    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
-#    D_i = d1 + exp(-d2 tc)
-#    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 � m_i)d^3 / (2 + fI), fI is an ionic strength term.
+#    D_i = d1 * exp(-d2 tc)
+#    n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 � m_i)^d3) / (2 + fI), fI is an ionic strength term.
 # For details, consult ref. 4.
 #
 # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49�67.

diff --git a/database/phreeqc.dat b/database/phreeqc.dat
@@ -213,7 +213,7 @@ H2O = OH- + H+
 	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
 	-gamma 3.5 0
 	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
-	-viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH
+	-viscosity -2.26e-2 0.106 2.184e-2  -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH
 	-dw 5.27e-9 478 0.8695
 2 H2O = O2 + 4 H+ + 4 e-
 	-log_k -86.08
@@ -243,11 +243,13 @@ CO3-2 + 2 H+ = CO2 + H2O
 	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
 	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
 	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
+	-viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
 	-log_k -1.8
 	-analytical_expression 8.68 -0.0103 -2190
 	-Vm 14.58 1.84 4.14 -2.46 -3.2
+	-viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
 	-log_k 41.071
@@ -446,8 +448,8 @@ Mg+2 + F- = MgF+
 	-delta_h 3.2 kcal
 	-gamma 4.5 0
 	-Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
-Na+ + OH- = NaOH
-	-log_k -10 # remove this complex
+# Na+ + OH- = NaOH
+	# -log_k -14.7 # remove this complex
 Na+ + HCO3- = NaHCO3
 	-log_k -0.06; -delta_h 21 kJ
 	-gamma 0 0.2
@@ -1938,15 +1940,15 @@ END
 # For details, consult ref. 1.
 # =============================================================================================
 # The viscosity is calculated with a (modified) Jones-Dole equation:
-#    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
+#    viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i)
 # Parameters are for calculating the B and D terms:
 #    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
 #    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
 #    z_i is absolute charge number, m_i is molality of i
 #    B_i = b0 + b1 exp(-b2 * tc)
 #    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
-#    D_i = d1 + exp(-d2 tc)
-#    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 � m_i)d^3 / (2 + fI), fI is an ionic strength term.
+#    D_i = d1 * exp(-d2 tc)
+#    n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 � m_i)^d3) / (2 + fI), fI is an ionic strength term.
 # For details, consult ref. 4.
 #
 # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49�67.

diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat
@@ -213,7 +213,7 @@ H2O = OH- + H+
 	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
 	-gamma 3.5 0
 	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
-	-viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH
+	-viscosity -2.26e-2 0.106 2.184e-2  -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH
 	-dw 5.27e-9 478 0.8695
 2 H2O = O2 + 4 H+ + 4 e-
 	-log_k -86.08
@@ -243,11 +243,13 @@ CO3-2 + 2 H+ = CO2 + H2O
 	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
 	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
 	-gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431
+	-viscosity 6.8e-3 9.03e-2 3.27e-2 0 0 0 0.18
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T
 	-log_k -1.8
 	-analytical_expression 8.68 -0.0103 -2190
 	-Vm 14.58 1.84 4.14 -2.46 -3.2
+	-viscosity 1.36e-2 0.1806 3.27e-2 0 0 0 0.36
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O
 	-log_k 41.071
@@ -446,8 +448,8 @@ Mg+2 + F- = MgF+
 	-delta_h 3.2 kcal
 	-gamma 4.5 0
 	-Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt
-Na+ + OH- = NaOH
-	-log_k -10 # remove this complex
+# Na+ + OH- = NaOH
+	# -log_k -14.7 # remove this complex
 Na+ + HCO3- = NaHCO3
 	-log_k -0.06; -delta_h 21 kJ
 	-gamma 0 0.2
@@ -3128,15 +3130,15 @@ Wollastonite    -6.97   700             56      0.4     0       0
 # For details, consult ref. 1.
 # =============================================================================================
 # The viscosity is calculated with a (modified) Jones-Dole equation:
-#    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
+#    viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i)
 # Parameters are for calculating the B and D terms:
 #    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
 #    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
 #    z_i is absolute charge number, m_i is molality of i
 #    B_i = b0 + b1 exp(-b2 * tc)
 #    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
-#    D_i = d1 + exp(-d2 tc)
-#    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 � m_i)d^3 / (2 + fI), fI is an ionic strength term.
+#    D_i = d1 * exp(-d2 tc)
+#    n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 � m_i)^d3) / (2 + fI), fI is an ionic strength term.
 # For details, consult ref. 4.
 #
 # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49�67.

diff --git a/database/pitzer.dat b/database/pitzer.dat
@@ -132,7 +132,7 @@ H2Sg = H2Sg # H2S
 H2O = OH- + H+
 	-analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5
 	-Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1
-	-viscosity -5.45e-2 0.142 1.45e-2 -3e-5 0 3.231 -1.791 # < 5 M Li,Na,KOH
+	-viscosity -2.26e-2 0.106 2.184e-2  -3.2e-3 0 0.4082 -1.634 # < 5 M Li,Na,KOH
  	-dw 5.27e-9 491 1.851 0 0.3256
 CO3-2 + H+ = HCO3-
 	log_k 10.3393;  delta_h -3.561 kcal
@@ -145,6 +145,7 @@ CO3-2 + 2 H+ = CO2 + H2O
 	delta_h -5.738 kcal
 	-analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9
 	-Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171
+	-viscosity 1.15e-2 9.82e-2 3.59e-2 0 0 0 0.266
 	-dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519
 SO4-2 + H+ = HSO4-
 	-log_k 1.988;  -delta_h 3.85 kcal
@@ -1011,15 +1012,15 @@ END
 # For details, consult ref. 1.
 # =============================================================================================
 # The viscosity is calculated with a (modified) Jones-Dole equation:
-#    viscos / viscos_0 = 1 + A Sum(0.5 z_i m_i) + fan (B_i m_i + D_i m_i n_i)
+#    viscos / viscos_0 = 1 + A * Sum(0.5 z_i m_i) + fan * Sum(B_i m_i + D_i m_i n_i)
 # Parameters are for calculating the B and D terms:
 #    -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570    0
-#    #           b0       b1       b2      d1       d2      d3     tan
+#    #	   b0	  b1	  b2	 d1	  d2	 d3	tan
 #    z_i is absolute charge number, m_i is molality of i
 #    B_i = b0 + b1 exp(-b2 * tc)
 #    fan = (2 - tan V_i / V_Cl-), corrects for the volume of anions
-#    D_i = d1 + exp(-d2 tc)
-#    n_i = ((1 + fI)^d3 + ((z_i^2 + z_i) / 2 � m_i)d^3 / (2 + fI), fI is an ionic strength term.
+#    D_i = d1 * exp(-d2 tc)
+#    n_i = (I^d3 * (1 + fI) + ((z_i^2 + z_i) / 2 � m_i)^d3) / (2 + fI), fI is an ionic strength term.
 # For details, consult ref. 5.
 #
 # ref. 1: Appelo, Parkhurst and Post, 2014. Geochim. Cosmochim. Acta 125, 49�67.

diff --git a/examples/ex1.out b/examples/ex1.out
@@ -124,7 +124,7 @@ Initial solution 1.	SEAWATER FROM NORDSTROM AND OTHERS (1979)
       Specific Conductance (µS/cm,  25°C)  = 52856
                           Density (g/cm³)  =   1.02328
                                Volume (L)  =   1.01278
-                        Viscosity (mPa s)  =   0.96029
+                        Viscosity (mPa s)  =   0.96030
                         Activity of water  =   0.981
                  Ionic strength (mol/kgw)  =   6.704e-01
                        Mass of water (kg)  =   1.000e+00
@@ -248,7 +248,6 @@ Na            4.854e-01
    Na+             4.712e-01   3.381e-01    -0.327    -0.471    -0.144     -0.51
    NaSO4-          1.396e-02   9.473e-03    -1.855    -2.024    -0.168      8.22
    NaHCO3          2.252e-04   3.066e-04    -3.647    -3.513     0.134     31.73
-   NaOH            4.773e-17   5.570e-17   -16.321   -16.254     0.067     (0)  
 O(0)          4.381e-04
    O2              2.190e-04   2.556e-04    -3.659    -3.592     0.067     30.40
 S(6)          2.926e-02

diff --git a/examples/ex10.out b/examples/ex10.out
@@ -123,7 +123,7 @@ Initial solution 1.
       Specific Conductance (µS/cm,  25°C)  = 701
                           Density (g/cm³)  =   0.99755
                                Volume (L)  =   1.00310
-                        Viscosity (mPa s)  =   0.89435
+                        Viscosity (mPa s)  =   0.89463
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.134e-02
                        Mass of water (kg)  =   1.000e+00
@@ -206,10 +206,10 @@ CO2(g)           -0.01    -1.48     -1.47    1.000e+01   9.961e+00  -3.875e-02
 
                                        pH  =   6.058      Charge balance
                                        pe  =  11.902      Adjusted to redox equilibrium
-      Specific Conductance (µS/cm,  25°C)  = 1708
+      Specific Conductance (µS/cm,  25°C)  = 1684
                           Density (g/cm³)  =   0.99860
                                Volume (L)  =   1.00434
-                        Viscosity (mPa s)  =   0.89962
+                        Viscosity (mPa s)  =   0.92188
                         Activity of water  =   0.999
                  Ionic strength (mol/kgw)  =   2.900e-02
                        Mass of water (kg)  =   9.999e-01

diff --git a/examples/ex11.out b/examples/ex11.out
@@ -126,7 +126,7 @@ Initial solution 1.	Initial solution for column
                         Activity of water  =   1.000
                  Ionic strength (mol/kgw)  =   1.200e-03
                        Mass of water (kg)  =   1.000e+00
-                 Total alkalinity (eq/kg)  =  -1.017e-18
+                 Total alkalinity (eq/kg)  =  -1.027e-18
                          Temperature (°C)  =  25.00
                   Electrical balance (eq)  =  -9.088e-17
  Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  -0.00
@@ -150,7 +150,6 @@ N(5)          1.200e-03
    NO3-            1.200e-03   1.154e-03    -2.921    -2.938    -0.017     29.49
 Na            1.000e-03
    Na+             1.000e-03   9.621e-04    -3.000    -3.017    -0.017     -1.47
-   NaOH            9.666e-21   9.668e-21   -20.015   -20.015     0.000     (0)  
 O(0)          5.351e-04
    O2              2.676e-04   2.676e-04    -3.573    -3.572     0.000     30.40
 

diff --git a/examples/ex11trn.sel b/examples/ex11trn.sel
@@ -57,27 +57,27 @@
                   55	  8.344533301406e-04	  1.131625845338e-03	  3.655466698441e-04	  0.000000000000e+00	  1.387500000000e+00	
                   56	  7.847919650475e-04	  1.142020362045e-03	  4.152080349369e-04	  0.000000000000e+00	  1.412500000000e+00	
                   57	  7.284538372959e-04	  1.150973656035e-03	  4.715461626881e-04	  3.531139650212e-28	  1.437500000000e+00	
-                  58	  6.674661295231e-04	  1.158656441394e-03	  5.325338704605e-04	  4.216133178351e-26	  1.462500000000e+00	
+                  58	  6.674661295231e-04	  1.158656441394e-03	  5.325338704605e-04	  4.216133178352e-26	  1.462500000000e+00	
                   59	  6.042301758578e-04	  1.165225432017e-03	  5.957698241254e-04	  2.112623929847e-24	  1.487500000000e+00	
-                  60	  5.410707042902e-04	  1.170823053923e-03	  6.589292956926e-04	  9.154192241146e-23	  1.512500000000e+00	
+                  60	  5.410707042902e-04	  1.170823053923e-03	  6.589292956926e-04	  9.154192241147e-23	  1.512500000000e+00	
                   61	  4.799177066706e-04	  1.175577598779e-03	  7.200822933118e-04	  3.514353871101e-21	  1.537500000000e+00	
-                  62	  4.221746364521e-04	  1.179603706071e-03	  7.778253635299e-04	  1.207213754641e-19	  1.562500000000e+00	
-                  63	  3.687296865690e-04	  1.183003078326e-03	  8.312703134126e-04	  3.694071268300e-18	  1.587500000000e+00	
-                  64	  3.200378094467e-04	  1.185865350144e-03	  8.799621905343e-04	  1.035721724513e-16	  1.612500000000e+00	
-                  65	  2.762284431584e-04	  1.188269047043e-03	  9.237715568171e-04	  2.657316487699e-15	  1.637500000000e+00	
-                  66	  2.371960440990e-04	  1.190282583741e-03	  9.628039557559e-04	  6.272120678983e-14	  1.662500000000e+00	
+                  62	  4.221746364521e-04	  1.179603706071e-03	  7.778253635299e-04	  1.207213754642e-19	  1.562500000000e+00	
+                  63	  3.687296865690e-04	  1.183003078326e-03	  8.312703134126e-04	  3.694071268301e-18	  1.587500000000e+00	
+                  64	  3.200378094467e-04	  1.185865350144e-03	  8.799621905343e-04	  1.035721724514e-16	  1.612500000000e+00	
+                  65	  2.762284431584e-04	  1.188269047043e-03	  9.237715568171e-04	  2.657316487700e-15	  1.637500000000e+00	
+                  66	  2.371960440990e-04	  1.190282583741e-03	  9.628039557559e-04	  6.272120678986e-14	  1.662500000000e+00	
                   67	  2.026802660677e-04	  1.191965263410e-03	  9.973197311041e-04	  1.404108206640e-12	  1.687500000000e+00	
-                  68	  1.723175379753e-04	  1.193368249524e-03	  1.027682402586e-03	  2.970943178733e-11	  1.712500000000e+00	
-                  69	  1.456986526365e-04	  1.194535490349e-03	  1.054300174205e-03	  5.865691832664e-10	  1.737500000000e+00	
-                  70	  1.223834694923e-04	  1.195504582884e-03	  1.077593516927e-03	  1.150677988345e-08	  1.762500000000e+00	
-                  71	  1.019262303182e-04	  1.196307568531e-03	  1.097657241059e-03	  2.082643005567e-07	  1.787500000000e+00	
-                  72	  8.381480436917e-05	  1.196971656899e-03	  1.109525476375e-03	  3.329859617447e-06	  1.812500000000e+00	
-                  73	  6.668225222783e-05	  1.197519877322e-03	  1.024937206784e-03	  5.419027048444e-05	  1.837500000000e+00	
+                  68	  1.723175379753e-04	  1.193368249524e-03	  1.027682402586e-03	  2.970943178734e-11	  1.712500000000e+00	
+                  69	  1.456986526365e-04	  1.194535490349e-03	  1.054300174205e-03	  5.865691832667e-10	  1.737500000000e+00	
+                  70	  1.223834694923e-04	  1.195504582884e-03	  1.077593516927e-03	  1.150677988346e-08	  1.762500000000e+00	
+                  71	  1.019262303182e-04	  1.196307568531e-03	  1.097657241059e-03	  2.082643005568e-07	  1.787500000000e+00	
+                  72	  8.381480436917e-05	  1.196971656899e-03	  1.109525476375e-03	  3.329859617448e-06	  1.812500000000e+00	
+                  73	  6.668225222783e-05	  1.197519877322e-03	  1.024937206784e-03	  5.419027048446e-05	  1.837500000000e+00	
                   74	  5.053198367604e-05	  1.197971659937e-03	  7.350507107061e-04	  2.072086528030e-04	  1.862500000000e+00	
-                  75	  3.879701357395e-05	  1.198343349753e-03	  5.356918142768e-04	  3.127555860708e-04	  1.887500000000e+00	
+                  75	  3.879701357395e-05	  1.198343349753e-03	  5.356918142767e-04	  3.127555860708e-04	  1.887500000000e+00	
                   76	  3.007678322722e-05	  1.198648658204e-03	  4.021188008094e-04	  3.839022079790e-04	  1.912500000000e+00	
-                  77	  2.344463549483e-05	  1.198899057198e-03	  3.068522371412e-04	  4.348515636801e-04	  1.937500000000e+00	
-                  78	  1.834047972307e-05	  1.199104120993e-03	  2.366187847945e-04	  4.725203677398e-04	  1.962500000000e+00	
+                  77	  2.344463549483e-05	  1.198899057198e-03	  3.068522371411e-04	  4.348515636801e-04	  1.937500000000e+00	
+                  78	  1.834047972307e-05	  1.199104120993e-03	  2.366187847944e-04	  4.725203677398e-04	  1.962500000000e+00	
                   79	  1.438416333582e-05	  1.199271821253e-03	  1.838015689086e-04	  5.009071338768e-04	  1.987500000000e+00	
                   80	  1.130287552755e-05	  1.199408780437e-03	  1.435541337153e-04	  5.225714953778e-04	  2.012500000000e+00	
                   81	  8.894854154099e-06	  1.199520488471e-03	  1.125953626079e-04	  5.392548916185e-04	  2.037500000000e+00	
@@ -86,13 +86,13 @@
                   84	  4.362237388672e-06	  1.199745698858e-03	  5.532050326743e-05	  5.701586296717e-04	  2.112500000000e+00	
                   85	  3.445231625616e-06	  1.199794545990e-03	  4.384740222256e-05	  5.763536830758e-04	  2.137500000000e+00	
                   86	  2.722483623513e-06	  1.199834157394e-03	  3.481279241283e-05	  5.812323619826e-04	  2.162500000000e+00	
-                  87	  2.152343734153e-06	  1.199866246232e-03	  2.768046312193e-05	  5.850835965725e-04	  2.187500000000e+00	
+                  87	  2.152343734153e-06	  1.199866246232e-03	  2.768046312192e-05	  5.850835965725e-04	  2.187500000000e+00	
                   88	  1.702259902002e-06	  1.199892215323e-03	  2.203774543638e-05	  5.881299973317e-04	  2.212500000000e+00	
                   89	  1.346733078607e-06	  1.199913211686e-03	  1.756522033724e-05	  5.905440232928e-04	  2.237500000000e+00	
                   90	  1.065752199293e-06	  1.199930171882e-03	  1.401446577327e-05	  5.924598910143e-04	  2.262500000000e+00	
                   91	  8.435890597776e-07	  1.199943859609e-03	  1.119149963194e-05	  5.939824556550e-04	  2.287500000000e+00	
-                  92	  6.678659094764e-07	  1.199954896813e-03	  8.944331673377e-06	  5.951939012093e-04	  2.312500000000e+00	
-                  93	  5.288312745990e-07	  1.199963789378e-03	  7.153523668295e-06	  5.961588225292e-04	  2.337500000000e+00	
+                  92	  6.678659094763e-07	  1.199954896813e-03	  8.944331673377e-06	  5.951939012093e-04	  2.312500000000e+00	
+                  93	  5.288312745990e-07	  1.199963789378e-03	  7.153523668294e-06	  5.961588225292e-04	  2.337500000000e+00	
                   94	  4.187957414427e-07	  1.199970948301e-03	  5.724978921457e-06	  5.969281126691e-04	  2.362500000000e+00	
                   95	  3.316912256408e-07	  1.199976707113e-03	  4.584400974714e-06	  5.975419539002e-04	  2.387500000000e+00	
                   96	  2.627259549757e-07	  1.199981336185e-03	  3.673012861562e-06	  5.980321305921e-04	  2.412500000000e+00