From 0f1c1e966e1d4e9b7c9cc921a131d17b271a4030 Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Sat, 14 Mar 2009 03:28:25 +0000 Subject: [PATCH] test suite changes. --- .../VPsilane_test/output_debug_blessed.txt | 394 +++++++++--------- 1 file changed, 197 insertions(+), 197 deletions(-) diff --git a/test_problems/VPsilane_test/output_debug_blessed.txt b/test_problems/VPsilane_test/output_debug_blessed.txt index 881243723..dfbc5a33c 100644 --- a/test_problems/VPsilane_test/output_debug_blessed.txt +++ b/test_problems/VPsilane_test/output_debug_blessed.txt @@ -19,20 +19,20 @@ For species SI2, discontinuity in s/R detected at Tmid = 1000 setInitialMoles: Estimated Mole Fractions Temperature = 1500 Pressure = 100 - H2 0.99671 - H 0 + H2 0.99668 + H 9.8681e-23 HE 0 - SIH4 0 - SI 0 - SIH 0 - SIH2 0 - SIH3 0 - H3SISIH 0 - SI2H6 0 - H2SISIH2 0 - SI3H8 0 - SI2 0 - SI3 0.0032895 + SIH4 9.8681e-23 + SI 9.7694e-07 + SIH 9.6727e-09 + SIH2 9.6727e-09 + SIH3 9.7704e-19 + H3SISIH 9.722e-19 + SI2H6 4.8847e-15 + H2SISIH2 4.7885e-07 + SI3H8 1.3125e-22 + SI2 9.6727e-05 + SI3 0.0032242 Element_Name ElementGoal ElementMF Si 0.0049261 0.0049261 H 0.99507 0.99507 @@ -43,26 +43,26 @@ isp = 2, HE Pressure = 100 Temperature = 1500 id Name MF mu/RT - 0 H2 0.99671 -25.526 - 1 H 0 -51.327 + 0 H2 0.99668 -25.526 + 1 H 1e-20 -51.327 2 HE 1e-08 -42.537 - 3 SIH4 0 -80.97 - 4 SI 0 -39.126 - 5 SIH 0 -47.463 - 6 SIH2 0 -60.165 - 7 SIH3 0 -68.327 - 8 H3SISIH 0 -71.278 - 9 SI2H6 0 -90.763 - 10 H2SISIH2 0 -74.518 - 11 SI3H8 0 -101.54 - 12 SI2 0 -32.978 - 13 SI3 0.0032895 0.3587 + 3 SIH4 1e-20 -80.97 + 4 SI 9.7694e-07 -6.913 + 5 SIH 9.6727e-09 -19.865 + 6 SIH2 9.6727e-09 -32.567 + 7 SIH3 9.7704e-19 -63.745 + 8 H3SISIH 9.722e-19 -66.701 + 9 SI2H6 4.8847e-15 -77.664 + 10 H2SISIH2 4.7885e-07 -43.018 + 11 SI3H8 1e-20 -101.54 + 12 SI2 9.6727e-05 -0.076187 + 13 SI3 0.0032242 0.33867 id CompSpecies ChemPot EstChemPot Diff 0 H2 -25.526 -25.526 0 - 1 SI3 0.3587 0.3587 0 + 1 SI3 0.33867 0.33867 0 2 HE -42.537 -42.537 0 id ElName Lambda_RT - 0 Si 0.11957 + 0 Si 0.11289 1 H -12.763 2 He -42.537 estimateEP_Brinkley:: @@ -71,189 +71,189 @@ temp = 1500 pres = 100 Initial mole numbers and mu_SS: Name MoleNum mu_SS actCoeff - H2 0.99671 -25.523 1 + H2 0.99668 -25.523 1 H 1e-20 -5.2748 1 HE 1e-08 -24.116 1 SIH4 1e-20 -34.919 1 - SI 1e-20 6.9258 1 - SIH 1e-20 -1.4113 1 - SIH2 1e-20 -14.113 1 - SIH3 1e-20 -22.275 1 - H3SISIH 1e-20 -25.226 1 - SI2H6 1e-20 -44.712 1 - H2SISIH2 1e-20 -28.466 1 + SI 9.7694e-07 6.9258 1 + SIH 9.6727e-09 -1.4113 1 + SIH2 9.6727e-09 -14.113 1 + SIH3 9.7704e-19 -22.275 1 + H3SISIH 9.722e-19 -25.226 1 + SI2H6 4.8847e-15 -44.712 1 + H2SISIH2 4.7885e-07 -28.466 1 SI3H8 1e-20 -55.486 1 - SI2 4.9705e-19 9.1674 1 - SI3 0.0032895 6.0757 1 -Initial n_t = 1.0018 + SI2 9.6727e-05 9.1674 1 + SI3 0.0032242 6.0757 1 +Initial n_t = 1.0017 Comparison of Goal Element Abundance with Initial Guess: eName eCurrent eGoal - Si 0.0098684 0.0049261 + Si 0.0098681 0.0049261 H 1.9934 0.99507 He 1e-08 0 START ITERATION 0: Species: Calculated_Moles Calculated_Mole_Fraction - H2: 0.99853 0.99489 - H: 0.00056058 0.00055854 - HE: 4.1252e-77 4.1102e-77 - SIH4: 1.111e-07 1.107e-07 - SI: 0.0011089 0.0011048 - SIH: 1.3263e-05 1.3215e-05 - SIH2: 1.2477e-05 1.2432e-05 - SIH3: 1.2525e-07 1.248e-07 - H3SISIH: 7.7287e-12 7.7006e-12 - SI2H6: 1.8395e-14 1.8329e-14 - H2SISIH2: 1.9734e-10 1.9663e-10 - SI3H8: 8.1273e-21 8.0977e-21 - SI2: 0.00013283 0.00013234 - SI3: 0.0032955 0.0032835 -Total Molar Sum: 1.0037 + H2: 0.99839 0.99497 + H: 0.00056051 0.00055859 + HE: 4.1247e-77 4.1106e-77 + SIH4: 1.1034e-07 1.0996e-07 + SI: 0.0011014 0.0010976 + SIH: 1.3173e-05 1.3128e-05 + SIH2: 1.2392e-05 1.235e-05 + SIH3: 1.244e-07 1.2397e-07 + H3SISIH: 7.6248e-12 7.5987e-12 + SI2H6: 1.8148e-14 1.8086e-14 + H2SISIH2: 1.9469e-10 1.9403e-10 + SI3H8: 7.9642e-21 7.9369e-21 + SI2: 0.00013105 0.0001306 + SI3: 0.0032298 0.0032187 +Total Molar Sum: 1.0034 (iter 0) element moles bal: Goal Calculated - Si: 0.0049261 0.011287 - H: 0.99507 1.9977 - He: 0 4.1252e-77 + Si: 0.0049261 0.011079 + H: 0.99507 1.9974 + He: 0 4.1247e-77 Lump Sum Elements Calculation: Si 0 : 3 13 H 0 : 0 7 He 1 : -1 -1 NOTE: Diagonalizing the analytical Jac row 2 Matrix: - [ 0.031325 3.9039e-05 0 0.011287] = -0.0063608 - [ 3.9039e-05 3.9947 0 1.9977] = -1.0026 - [ 0 0 1 4.1252e-77] = -1 - [ 0.011287 1.9977 4.1252e-77 0] = -0.0018282 -(it 0) Convergence = 2.68247 + [ 0.030719 3.8774e-05 0 0.011079] = -0.0061525 + [ 3.8774e-05 3.9942 0 1.9974] = -1.0023 + [ 0 0 1 4.1247e-77] = -1 + [ 0.011079 1.9974 4.1247e-77 0] = -0.0017203 +(it 0) Convergence = 2.57446 Row Summed Matrix: - [ 0.73445 0.00091531 0 0.26463] = -0.14913 - [ 6.5148e-06 0.66663 0 0.33336] = -0.16731 - [ 0 0 1 4.1252e-77] = -1 - [ 0.0056183 0.99438 2.0534e-77 0] = -0.00091004 + [ 0.73427 0.0009268 0 0.26481] = -0.14706 + [ 6.4715e-06 0.66663 0 0.33336] = -0.16728 + [ 0 0 1 4.1247e-77] = -1 + [ 0.005516 0.99448 2.0537e-77 0] = -0.00085655 Lump summing row 2, due to rank deficiency analysis Row Summed, MODIFIED Matrix: - [ 0.73445 0.00091531 0 0.26463] = -0.14913 - [ 6.5148e-06 0.66663 0 0.33336] = -0.16731 - [ 0 0 1 4.1252e-77] = -1 - [ 0.0056183 0.99438 2.0534e-77 0] = -0.00091004 + [ 0.73427 0.0009268 0 0.26481] = -0.14706 + [ 6.4715e-06 0.66663 0 0.33336] = -0.16728 + [ 0 0 1 4.1247e-77] = -1 + [ 0.005516 0.99448 2.0537e-77 0] = -0.00085655 (it 0) OLD_SOLUTION NEW SOLUTION (undamped updated) - Si 0.11957 0.096778 -0.022788 - H -12.763 -12.764 -0.00078643 + Si 0.11289 0.09304 -0.019849 + H -12.763 -12.764 -0.00075121 He -200 -201 -1 - n_t 1.0018 0.60745 0.60634 + n_t 1.0017 0.60739 0.60634 START ITERATION 1: Species: Calculated_Moles Calculated_Mole_Fraction - H2: 0.6045 0.99513 - H: 0.00033964 0.00055911 - HE: 9.2017e-78 1.5148e-77 - SIH4: 6.564e-08 1.0806e-07 - SI: 0.0006572 0.0010819 - SIH: 7.8547e-06 1.2931e-05 - SIH2: 7.3834e-06 1.2155e-05 - SIH3: 7.4059e-08 1.2192e-07 - H3SISIH: 4.4634e-12 7.3477e-12 - SI2H6: 1.0607e-14 1.7461e-14 - H2SISIH2: 1.1397e-10 1.8762e-10 - SI3H8: 4.5734e-21 7.5288e-21 - SI2: 7.695e-05 0.00012668 - SI3: 0.0018662 0.0030721 -Total Molar Sum: 0.60746 + H2: 0.60446 0.99517 + H: 0.00033961 0.00055912 + HE: 9.2007e-78 1.5148e-77 + SIH4: 6.5393e-08 1.0766e-07 + SI: 0.00065468 0.0010779 + SIH: 7.8247e-06 1.2883e-05 + SIH2: 7.3553e-06 1.211e-05 + SIH3: 7.3779e-08 1.2147e-07 + H3SISIH: 4.43e-12 7.2935e-12 + SI2H6: 1.0528e-14 1.7333e-14 + H2SISIH2: 1.1312e-10 1.8623e-10 + SI3H8: 4.5226e-21 7.446e-21 + SI2: 7.6368e-05 0.00012573 + SI3: 0.0018451 0.0030378 +Total Molar Sum: 0.60739 (iter 1) element moles bal: Goal Calculated - Si: 0.0049261 0.0064249 - H: 0.99507 1.2094 - He: 0 9.2017e-78 + Si: 0.0049261 0.0063582 + H: 0.99507 1.2093 + He: 0 9.2007e-78 Lump Sum Elements Calculation: Si 0 : 3 13 H 0 : 0 7 He 1 : -1 -1 NOTE: Diagonalizing the analytical Jac row 2 Matrix: - [ 0.017776 2.3107e-05 0 0.0064249] = -0.0014988 - [ 2.3107e-05 2.4184 0 1.2094] = -0.21429 - [ 0 0 1 9.2017e-78] = -1 - [ 0.0064249 1.2094 9.2017e-78 0] = -5.5737e-06 -(it 1) Convergence = 0.138952 + [ 0.017582 2.3019e-05 0 0.0063582] = -0.0014321 + [ 2.3019e-05 2.4182 0 1.2093] = -0.21421 + [ 0 0 1 9.2007e-78] = -1 + [ 0.0063582 1.2093 9.2007e-78 0] = -4.2829e-06 +(it 1) Convergence = 0.130851 Row Summed Matrix: - [ 0.73381 0.00095391 0 0.26523] = -0.061874 - [ 6.3695e-06 0.66663 0 0.33336] = -0.05907 - [ 0 0 1 9.2017e-78] = -1 - [ 0.0052846 0.99472 7.5685e-78 0] = -4.5844e-06 + [ 0.73371 0.00096062 0 0.26533] = -0.059761 + [ 6.3457e-06 0.66663 0 0.33336] = -0.05905 + [ 0 0 1 9.2007e-78] = -1 + [ 0.0052303 0.99477 7.5686e-78 0] = -3.5232e-06 Lump summing row 2, due to rank deficiency analysis Row Summed, MODIFIED Matrix: - [ 0.73381 0.00095391 0 0.26523] = -0.061874 - [ 6.3695e-06 0.66663 0 0.33336] = -0.05907 - [ 0 0 1 9.2017e-78] = -1 - [ 0.0052846 0.99472 7.5685e-78 0] = -4.5844e-06 + [ 0.73371 0.00096062 0 0.26533] = -0.059761 + [ 6.3457e-06 0.66663 0 0.33336] = -0.05905 + [ 0 0 1 9.2007e-78] = -1 + [ 0.0052303 0.99477 7.5686e-78 0] = -3.5232e-06 (it 1) OLD_SOLUTION NEW SOLUTION (undamped updated) - Si 0.096778 0.076579 -0.020199 - H -12.764 -12.764 0.0001027 + Si 0.09304 0.07571 -0.01733 + H -12.764 -12.764 8.7576e-05 He -201 -202 -1 - n_t 0.60745 0.50871 0.83745 + n_t 0.60739 0.5087 0.83752 START ITERATION 2: Species: Calculated_Moles Calculated_Mole_Fraction - H2: 0.50634 0.99534 - H: 0.00028446 0.00055917 - HE: 2.8349e-78 5.5726e-78 - SIH4: 5.3893e-08 1.0594e-07 - SI: 0.00053937 0.0010603 - SIH: 6.447e-06 1.2673e-05 - SIH2: 6.0608e-06 1.1914e-05 - SIH3: 6.0799e-08 1.1952e-07 - H3SISIH: 3.5913e-12 7.0597e-12 - SI2H6: 8.5363e-15 1.678e-14 - H2SISIH2: 9.1701e-11 1.8026e-10 - SI3H8: 3.6078e-21 7.092e-21 - SI2: 6.189e-05 0.00012166 - SI3: 0.0014709 0.0028915 -Total Molar Sum: 0.50871 + H2: 0.50633 0.99535 + H: 0.00028445 0.00055918 + HE: 2.8348e-78 5.5726e-78 + SIH4: 5.3846e-08 1.0585e-07 + SI: 0.00053889 0.0010593 + SIH: 6.4413e-06 1.2662e-05 + SIH2: 6.0555e-06 1.1904e-05 + SIH3: 6.0746e-08 1.1941e-07 + H3SISIH: 3.5851e-12 7.0475e-12 + SI2H6: 8.5214e-15 1.6751e-14 + H2SISIH2: 9.1541e-11 1.7995e-10 + SI3H8: 3.5984e-21 7.0737e-21 + SI2: 6.1781e-05 0.00012145 + SI3: 0.0014671 0.0028839 +Total Molar Sum: 0.5087 (iter 2) element moles bal: Goal Calculated - Si: 0.0049261 0.0050885 + Si: 0.0049261 0.0050762 H: 0.99507 1.013 - He: 0 2.8349e-78 + He: 0 2.8348e-78 Lump Sum Elements Calculation: Si 0 : 3 13 H 0 : 0 7 He 1 : -1 -1 NOTE: Diagonalizing the analytical Jac row 2 Matrix: - [ 0.014038 1.8967e-05 0 0.0050885] = -0.0001624 - [ 1.8967e-05 2.0257 0 1.013] = -0.017912 - [ 0 0 1 2.8349e-78] = -1 - [ 0.0050885 1.013 2.8349e-78 0] = -2.9889e-06 -(it 2) Convergence = 0.0014108 + [ 0.014002 1.8951e-05 0 0.0050762] = -0.00015012 + [ 1.8951e-05 2.0257 0 1.013] = -0.017899 + [ 0 0 1 2.8348e-78] = -1 + [ 0.0050762 1.013 2.8348e-78 0] = -2.1823e-06 +(it 2) Convergence = 0.00125221 Row Summed Matrix: - [ 0.73322 0.00099071 0 0.26578] = -0.0084823 - [ 6.242e-06 0.66663 0 0.33336] = -0.0058947 - [ 0 0 1 2.8349e-78] = -1 - [ 0.0049982 0.995 2.7845e-78 0] = -2.9359e-06 + [ 0.7332 0.00099232 0 0.26581] = -0.0078606 + [ 6.2365e-06 0.66663 0 0.33336] = -0.0058906 + [ 0 0 1 2.8348e-78] = -1 + [ 0.0049862 0.99501 2.7845e-78 0] = -2.1436e-06 Lump summing row 2, due to rank deficiency analysis Row Summed, MODIFIED Matrix: - [ 0.73322 0.00099071 0 0.26578] = -0.0084823 - [ 6.242e-06 0.66663 0 0.33336] = -0.0058947 - [ 0 0 1 2.8349e-78] = -1 - [ 0.0049982 0.995 2.7845e-78 0] = -2.9359e-06 + [ 0.7332 0.00099232 0 0.26581] = -0.0078606 + [ 6.2365e-06 0.66663 0 0.33336] = -0.0058906 + [ 0 0 1 2.8348e-78] = -1 + [ 0.0049862 0.99501 2.7845e-78 0] = -2.1436e-06 (it 2) OLD_SOLUTION NEW SOLUTION (undamped updated) - Si 0.076579 0.071437 -0.0051423 - H -12.764 -12.764 2.288e-05 + Si 0.07571 0.071409 -0.0043009 + H -12.764 -12.764 1.9399e-05 He -202 -203 -1 - n_t 0.50871 0.49977 0.98243 + n_t 0.5087 0.49977 0.98245 START ITERATION 3: Species: Calculated_Moles Calculated_Mole_Fraction H2: 0.49747 0.99539 H: 0.00027946 0.00055919 HE: 1.0246e-78 2.0501e-78 - SIH4: 5.2679e-08 1.0541e-07 - SI: 0.00052717 0.0010548 - SIH: 6.3014e-06 1.2609e-05 - SIH2: 5.924e-06 1.1854e-05 - SIH3: 5.9429e-08 1.1891e-07 - H3SISIH: 3.4924e-12 6.9881e-12 - SI2H6: 8.3016e-15 1.6611e-14 - H2SISIH2: 8.9176e-11 1.7843e-10 - SI3H8: 3.4908e-21 6.9847e-21 - SI2: 6.018e-05 0.00012042 - SI3: 0.0014229 0.0028472 + SIH4: 5.2678e-08 1.054e-07 + SI: 0.00052715 0.0010548 + SIH: 6.3012e-06 1.2608e-05 + SIH2: 5.9239e-06 1.1853e-05 + SIH3: 5.9427e-08 1.1891e-07 + H3SISIH: 3.4923e-12 6.9877e-12 + SI2H6: 8.3011e-15 1.661e-14 + H2SISIH2: 8.9171e-11 1.7842e-10 + SI3H8: 3.4905e-21 6.9842e-21 + SI2: 6.0177e-05 0.00012041 + SI3: 0.0014228 0.002847 Total Molar Sum: 0.49977 (iter 3) element moles bal: Goal Calculated - Si: 0.0049261 0.0049287 + Si: 0.0049261 0.0049283 H: 0.99507 0.99523 He: 0 1.0246e-78 Lump Sum Elements Calculation: @@ -262,25 +262,25 @@ Total Molar Sum: 0.49977 He 1 : -1 -1 NOTE: Diagonalizing the analytical Jac row 2 Matrix: - [ 0.013587 1.8539e-05 0 0.0049287] = -2.5901e-06 - [ 1.8539e-05 1.9902 0 0.99523] = -0.00015744 + [ 0.013586 1.8539e-05 0 0.0049283] = -2.2162e-06 + [ 1.8539e-05 1.9902 0 0.99523] = -0.00015722 [ 0 0 1 1.0246e-78] = -1 - [ 0.0049287 0.99523 1.0246e-78 0] = -1.8195e-07 -(it 3) Convergence = 3.01497e-07 + [ 0.0049283 0.99523 1.0246e-78 0] = -1.2708e-07 +(it 3) Convergence = 2.27368e-07 Row Summed Matrix: - [ 0.73307 0.0010003 0 0.26593] = -0.00013975 - [ 6.2099e-06 0.66663 0 0.33336] = -5.2735e-05 + [ 0.73307 0.0010003 0 0.26593] = -0.00011959 + [ 6.2097e-06 0.66663 0 0.33336] = -5.2661e-05 [ 0 0 1 1.0246e-78] = -1 - [ 0.0049279 0.99507 1.0244e-78 0] = -1.8192e-07 + [ 0.0049275 0.99507 1.0244e-78 0] = -1.2706e-07 Lump summing row 2, due to rank deficiency analysis Row Summed, MODIFIED Matrix: - [ 0.73307 0.0010003 0 0.26593] = -0.00013975 - [ 6.2099e-06 0.66663 0 0.33336] = -5.2735e-05 + [ 0.73307 0.0010003 0 0.26593] = -0.00011959 + [ 6.2097e-06 0.66663 0 0.33336] = -5.2661e-05 [ 0 0 1 1.0246e-78] = -1 - [ 0.0049279 0.99507 1.0244e-78 0] = -1.8192e-07 + [ 0.0049275 0.99507 1.0244e-78 0] = -1.2706e-07 (it 3) OLD_SOLUTION NEW SOLUTION (undamped updated) - Si 0.071437 0.071304 -0.00013291 - H -12.764 -12.764 4.7538e-07 + Si 0.071409 0.071304 -0.00010554 + H -12.764 -12.764 3.9494e-07 He -203 -204 -1 n_t 0.49977 0.49969 0.99984 START ITERATION 4: @@ -310,79 +310,79 @@ Total Molar Sum: 0.49969 He 1 : -1 -1 NOTE: Diagonalizing the analytical Jac row 2 Matrix: - [ 0.013579 1.8534e-05 0 0.0049261] = -6.9801e-10 - [ 1.8534e-05 1.9899 0 0.99507] = -1.2452e-08 + [ 0.013579 1.8534e-05 0 0.0049261] = -5.093e-10 + [ 1.8534e-05 1.9899 0 0.99507] = -1.2417e-08 [ 0 0 1 3.7685e-79] = -1 - [ 0.0049261 0.99507 3.7685e-79 0] = -1.2019e-10 -(it 4) Convergence = 2.02486e-14 + [ 0.0049261 0.99507 3.7685e-79 0] = -7.5797e-11 +(it 4) Convergence = 1.08589e-14 ChemEquil::estimateEP_Brinkley() SUCCESS: equilibrium found at T = 1500, Pres = 100 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9261090E-03 -6.30127E-10 - 9.9507389E-01 9.9507389E-01 3.17397E-10 + 4.9261084E-03 4.9261088E-03 -4.43440E-10 + 9.9507389E-01 9.9507389E-01 2.23360E-10 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000000E+02 2.40535E-10 + YY(1): 1.0000000E+02 1.0000000E+02 1.51690E-10 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9261090E-03 -6.30127E-10 - 9.9507389E-01 9.9507389E-01 3.17397E-10 + 4.9261084E-03 4.9261088E-03 -4.43440E-10 + 9.9507389E-01 9.9507389E-01 2.23360E-10 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000000E+02 2.40535E-10 + YY(1): 1.0000000E+02 1.0000000E+02 1.51690E-10 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9261090E-03 -6.30127E-10 - 9.9507389E-01 9.9507389E-01 3.17397E-10 + 4.9261084E-03 4.9261088E-03 -4.43440E-10 + 9.9507389E-01 9.9507389E-01 2.23360E-10 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000000E+02 2.40535E-10 + YY(1): 1.0000000E+02 1.0000000E+02 1.51690E-10 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9261091E-03 -7.26002E-10 - 9.9507389E-01 9.9507389E-01 3.65690E-10 + 4.9261084E-03 4.9261089E-03 -5.39310E-10 + 9.9507389E-01 9.9507389E-01 2.71650E-10 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000000E+02 3.10829E-10 + YY(1): 1.0000000E+02 1.0000000E+02 2.21980E-10 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9260965E-03 1.17966E-08 - 9.9507389E-01 9.9507390E-01 -5.94199E-09 + 4.9261084E-03 4.9260963E-03 1.19833E-08 + 9.9507389E-01 9.9507390E-01 -6.03603E-09 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000025E+02 2.54202E-06 + YY(1): 1.0000000E+02 1.0000025E+02 2.54193E-06 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9261090E-03 -6.30127E-10 - 9.9507389E-01 9.9507389E-01 3.17397E-10 + 4.9261084E-03 4.9261088E-03 -4.43440E-10 + 9.9507389E-01 9.9507389E-01 2.23360E-10 0.0000000E+00 0.0000000E+00 1.00000E-04 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000000E+02 2.40535E-10 + YY(1): 1.0000000E+02 1.0000000E+02 1.51690E-10 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9262944E-03 -1.85097E-07 - 9.9507389E-01 9.9507371E-01 9.32343E-08 + 4.9261084E-03 4.9262942E-03 -1.84911E-07 + 9.9507389E-01 9.9507371E-01 9.31403E-08 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000011E+03 7.31322E-07 - YY(1): 1.0000000E+02 1.0000023E+02 2.27943E-06 + YY(1): 1.0000000E+02 1.0000023E+02 2.27934E-06 Jacobian matrix 1: - [ -0.013446 0.0097359 0 -0.25224 ]x_Si = - (-6.3013e-10) - [ 0.0098584 1.9914 0 3.1165 ]x_YY = - (2.4054e-10) + [ -0.013446 0.0097359 0 -0.25224 ]x_Si = - (-4.4344e-10) + [ 0.0098584 1.9914 0 3.1165 ]x_YY = - (1.5169e-10) [ 0 0 1 0 ]x_He = - ( 0) [ 0 0 0 1 ]x_XX = - ( 0) Solution Unknowns: damp = 1 X_new X_old Step - 0.071304 0.071304 -4.6783e-08 - -12.764 -12.764 1.1081e-10 + 0.071304 0.071304 -3.2916e-08 + -12.764 -12.764 8.6779e-11 -1000 -1000 0 7.3132 7.3132 0 Residual: ElFracGoal ElFracCurrent Resid - 4.9261084E-03 4.9261084E-03 4.44089E-16 - 9.9507389E-01 9.9507389E-01 -1.11022E-16 + 4.9261084E-03 4.9261084E-03 0.00000E+00 + 9.9507389E-01 9.9507389E-01 0.00000E+00 0.0000000E+00 0.0000000E+00 0.00000E+00 Goal Xvalue Resid XX : 1.5000000E+03 1.5000000E+03 0.00000E+00 - YY(1): 1.0000000E+02 1.0000000E+02 1.42139E-16 + YY(1): 1.0000000E+02 1.0000000E+02 0.00000E+00 silane: