----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:22:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.033899440087055 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -2.987033000923707 0.000000000000000 7.333809834623586 Atomic positions (fractional): *1 As 0.99896805950860 0.56429572453803 0.74710255864679 74.922 2 As 0.00103194049140 0.06429572453803 0.75289744135321 74.922 3 As 0.00103194049140 0.43570427546197 0.25289744135321 74.922 4 As 0.99896805950860 0.93570427546197 0.24710255864680 74.922 *5 As 0.49908827695437 0.55304812383023 0.24818045831064 74.922 6 As 0.50091172304563 0.05304812383023 0.25181954168936 74.922 7 As 0.50091172304563 0.44695187616977 0.75181954168936 74.922 8 As 0.49908827695437 0.94695187616977 0.74818045831064 74.922 *9 As 0.53234315995097 0.81731736389687 0.21505616586387 74.922 10 As 0.46765684004903 0.31731736389687 0.28494383413613 74.922 11 As 0.46765684004903 0.18268263610313 0.78494383413613 74.922 12 As 0.53234315995097 0.68268263610313 0.71505616586387 74.922 *13 As 0.98621492200294 0.19944578941070 0.28478694196961 74.922 14 As 0.98621492200294 0.30055421058930 0.78478694196961 74.922 15 As 0.01378507799706 0.80055421058930 0.71521305803039 74.922 16 As 0.01378507799706 0.69944578941070 0.21521305803039 74.922 *17 Sn 0.29137086558433 0.37734763340254 0.47540556674008 118.710 18 Sn 0.70862913441567 0.87734763340254 0.02459443325992 118.710 19 Sn 0.70862913441567 0.62265236659746 0.52459443325992 118.710 20 Sn 0.29137086558433 0.12265236659746 0.97540556674008 118.710 *21 Sn 0.18456808300805 0.25804135733637 0.60067714764291 118.710 22 Sn 0.18456808300805 0.24195864266363 0.10067714764291 118.710 23 Sn 0.81543191699195 0.74195864266363 0.39932285235709 118.710 24 Sn 0.81543191699195 0.75804135733637 0.89932285235709 118.710 *25 Ba 0.28777234908925 0.68266220921446 0.99183318966648 137.327 26 Ba 0.71222765091075 0.18266220921446 0.50816681033352 137.327 27 Ba 0.71222765091075 0.31733779078554 0.00816681033352 137.327 28 Ba 0.28777234908925 0.81733779078554 0.49183318966648 137.327 *29 Ba 0.76208566966471 0.56105892995447 0.00632328957789 137.327 30 Ba 0.23791433033529 0.06105892995447 0.49367671042211 137.327 31 Ba 0.23791433033529 0.43894107004553 0.99367671042211 137.327 32 Ba 0.76208566966471 0.93894107004553 0.50632328957789 137.327 *33 Ba 0.24136139779310 0.56426089599497 0.48776265248158 137.327 34 Ba 0.75863860220690 0.06426089599497 0.01223734751842 137.327 35 Ba 0.75863860220690 0.43573910400503 0.51223734751842 137.327 36 Ba 0.24136139779310 0.93573910400503 0.98776265248158 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.033899440087055 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -2.987033000923707 0.000000000000000 7.333809834623586 Atomic positions (fractional): *1 As 0.99896805950860 0.56429572453803 0.74710255864679 74.922 > 1 2 As 0.00103194049140 0.06429572453803 0.75289744135321 74.922 > 2 3 As 0.00103194049140 0.43570427546197 0.25289744135321 74.922 > 3 4 As 0.99896805950860 0.93570427546197 0.24710255864680 74.922 > 4 *5 As 0.49908827695437 0.55304812383023 0.24818045831064 74.922 > 5 6 As 0.50091172304563 0.05304812383023 0.25181954168936 74.922 > 6 7 As 0.50091172304563 0.44695187616977 0.75181954168936 74.922 > 7 8 As 0.49908827695437 0.94695187616977 0.74818045831064 74.922 > 8 *9 As 0.53234315995097 0.81731736389687 0.21505616586387 74.922 > 9 10 As 0.46765684004903 0.31731736389687 0.28494383413613 74.922 > 10 11 As 0.46765684004903 0.18268263610313 0.78494383413613 74.922 > 11 12 As 0.53234315995097 0.68268263610313 0.71505616586387 74.922 > 12 *13 As 0.98621492200294 0.19944578941070 0.28478694196961 74.922 > 13 14 As 0.98621492200294 0.30055421058930 0.78478694196961 74.922 > 14 15 As 0.01378507799706 0.80055421058930 0.71521305803039 74.922 > 15 16 As 0.01378507799706 0.69944578941070 0.21521305803039 74.922 > 16 *17 Sn 0.29137086558433 0.37734763340254 0.47540556674008 118.710 > 17 18 Sn 0.70862913441567 0.87734763340254 0.02459443325992 118.710 > 18 19 Sn 0.70862913441567 0.62265236659746 0.52459443325992 118.710 > 19 20 Sn 0.29137086558433 0.12265236659746 0.97540556674008 118.710 > 20 *21 Sn 0.18456808300805 0.25804135733637 0.60067714764291 118.710 > 21 22 Sn 0.18456808300805 0.24195864266363 0.10067714764291 118.710 > 22 23 Sn 0.81543191699195 0.74195864266363 0.39932285235709 118.710 > 23 24 Sn 0.81543191699195 0.75804135733637 0.89932285235709 118.710 > 24 *25 Ba 0.28777234908925 0.68266220921446 0.99183318966648 137.327 > 25 26 Ba 0.71222765091075 0.18266220921446 0.50816681033352 137.327 > 26 27 Ba 0.71222765091075 0.31733779078554 0.00816681033352 137.327 > 27 28 Ba 0.28777234908925 0.81733779078554 0.49183318966648 137.327 > 28 *29 Ba 0.76208566966471 0.56105892995447 0.00632328957789 137.327 > 29 30 Ba 0.23791433033529 0.06105892995447 0.49367671042211 137.327 > 30 31 Ba 0.23791433033529 0.43894107004553 0.99367671042211 137.327 > 31 32 Ba 0.76208566966471 0.93894107004553 0.50632328957789 137.327 > 32 *33 Ba 0.24136139779310 0.56426089599497 0.48776265248158 137.327 > 33 34 Ba 0.75863860220690 0.06426089599497 0.01223734751842 137.327 > 34 35 Ba 0.75863860220690 0.43573910400503 0.51223734751842 137.327 > 35 36 Ba 0.24136139779310 0.93573910400503 0.98776265248158 137.327 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.067798880174109 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -5.974066001847414 0.000000000000000 14.667619669247172 Atomic positions (fractional): *1 As 0.49948402975430 0.56429572453803 0.37355127932340 74.922 > 1 2 As 0.99948402975430 0.56429572453803 0.37355127932340 74.922 > 1 3 As 0.49948402975430 0.56429572453803 0.87355127932340 74.922 > 1 4 As 0.99948402975430 0.56429572453803 0.87355127932340 74.922 > 1 5 As 0.00051597024570 0.06429572453803 0.37644872067660 74.922 > 2 6 As 0.50051597024570 0.06429572453803 0.37644872067660 74.922 > 2 7 As 0.00051597024570 0.06429572453803 0.87644872067660 74.922 > 2 8 As 0.50051597024570 0.06429572453803 0.87644872067660 74.922 > 2 9 As 0.00051597024570 0.43570427546197 0.12644872067660 74.922 > 3 10 As 0.50051597024570 0.43570427546197 0.12644872067660 74.922 > 3 11 As 0.00051597024570 0.43570427546197 0.62644872067660 74.922 > 3 12 As 0.50051597024570 0.43570427546197 0.62644872067660 74.922 > 3 13 As 0.49948402975430 0.93570427546197 0.12355127932340 74.922 > 4 14 As 0.99948402975430 0.93570427546197 0.12355127932340 74.922 > 4 15 As 0.49948402975430 0.93570427546197 0.62355127932340 74.922 > 4 16 As 0.99948402975430 0.93570427546197 0.62355127932340 74.922 > 4 *17 As 0.24954413847718 0.55304812383023 0.12409022915532 74.922 > 5 18 As 0.74954413847718 0.55304812383023 0.12409022915532 74.922 > 5 19 As 0.24954413847718 0.55304812383023 0.62409022915532 74.922 > 5 20 As 0.74954413847718 0.55304812383023 0.62409022915532 74.922 > 5 21 As 0.25045586152282 0.05304812383023 0.12590977084468 74.922 > 6 22 As 0.75045586152282 0.05304812383023 0.12590977084468 74.922 > 6 23 As 0.25045586152282 0.05304812383023 0.62590977084468 74.922 > 6 24 As 0.75045586152282 0.05304812383023 0.62590977084468 74.922 > 6 25 As 0.25045586152282 0.44695187616977 0.37590977084468 74.922 > 7 26 As 0.75045586152282 0.44695187616977 0.37590977084468 74.922 > 7 27 As 0.25045586152282 0.44695187616977 0.87590977084468 74.922 > 7 28 As 0.75045586152282 0.44695187616977 0.87590977084468 74.922 > 7 29 As 0.24954413847718 0.94695187616977 0.37409022915532 74.922 > 8 30 As 0.74954413847718 0.94695187616977 0.37409022915532 74.922 > 8 31 As 0.24954413847718 0.94695187616977 0.87409022915532 74.922 > 8 32 As 0.74954413847718 0.94695187616977 0.87409022915532 74.922 > 8 *33 As 0.26617157997549 0.81731736389687 0.10752808293193 74.922 > 9 34 As 0.76617157997549 0.81731736389687 0.10752808293193 74.922 > 9 35 As 0.26617157997549 0.81731736389687 0.60752808293193 74.922 > 9 36 As 0.76617157997549 0.81731736389687 0.60752808293193 74.922 > 9 37 As 0.23382842002451 0.31731736389687 0.14247191706807 74.922 > 10 38 As 0.73382842002451 0.31731736389687 0.14247191706807 74.922 > 10 39 As 0.23382842002451 0.31731736389687 0.64247191706807 74.922 > 10 40 As 0.73382842002451 0.31731736389687 0.64247191706807 74.922 > 10 41 As 0.23382842002451 0.18268263610313 0.39247191706807 74.922 > 11 42 As 0.73382842002451 0.18268263610313 0.39247191706807 74.922 > 11 43 As 0.23382842002451 0.18268263610313 0.89247191706807 74.922 > 11 44 As 0.73382842002451 0.18268263610313 0.89247191706807 74.922 > 11 45 As 0.26617157997549 0.68268263610313 0.35752808293193 74.922 > 12 46 As 0.76617157997549 0.68268263610313 0.35752808293193 74.922 > 12 47 As 0.26617157997549 0.68268263610313 0.85752808293193 74.922 > 12 48 As 0.76617157997549 0.68268263610313 0.85752808293193 74.922 > 12 *49 As 0.49310746100147 0.19944578941070 0.14239347098480 74.922 > 13 50 As 0.99310746100147 0.19944578941070 0.14239347098480 74.922 > 13 51 As 0.49310746100147 0.19944578941070 0.64239347098480 74.922 > 13 52 As 0.99310746100147 0.19944578941070 0.64239347098480 74.922 > 13 53 As 0.49310746100147 0.30055421058930 0.39239347098480 74.922 > 14 54 As 0.99310746100147 0.30055421058930 0.39239347098480 74.922 > 14 55 As 0.49310746100147 0.30055421058930 0.89239347098480 74.922 > 14 56 As 0.99310746100147 0.30055421058930 0.89239347098480 74.922 > 14 57 As 0.00689253899853 0.80055421058930 0.35760652901520 74.922 > 15 58 As 0.50689253899853 0.80055421058930 0.35760652901520 74.922 > 15 59 As 0.00689253899853 0.80055421058930 0.85760652901520 74.922 > 15 60 As 0.50689253899853 0.80055421058930 0.85760652901520 74.922 > 15 61 As 0.00689253899853 0.69944578941070 0.10760652901520 74.922 > 16 62 As 0.50689253899853 0.69944578941070 0.10760652901520 74.922 > 16 63 As 0.00689253899853 0.69944578941070 0.60760652901520 74.922 > 16 64 As 0.50689253899853 0.69944578941070 0.60760652901520 74.922 > 16 *65 Sn 0.14568543279217 0.37734763340254 0.23770278337004 118.710 > 17 66 Sn 0.64568543279217 0.37734763340254 0.23770278337004 118.710 > 17 67 Sn 0.14568543279217 0.37734763340254 0.73770278337004 118.710 > 17 68 Sn 0.64568543279217 0.37734763340254 0.73770278337004 118.710 > 17 69 Sn 0.35431456720783 0.87734763340254 0.01229721662996 118.710 > 18 70 Sn 0.85431456720783 0.87734763340254 0.01229721662996 118.710 > 18 71 Sn 0.35431456720783 0.87734763340254 0.51229721662996 118.710 > 18 72 Sn 0.85431456720783 0.87734763340254 0.51229721662996 118.710 > 18 73 Sn 0.35431456720783 0.62265236659746 0.26229721662996 118.710 > 19 74 Sn 0.85431456720783 0.62265236659746 0.26229721662996 118.710 > 19 75 Sn 0.35431456720783 0.62265236659746 0.76229721662996 118.710 > 19 76 Sn 0.85431456720783 0.62265236659746 0.76229721662996 118.710 > 19 77 Sn 0.14568543279217 0.12265236659746 0.48770278337004 118.710 > 20 78 Sn 0.64568543279217 0.12265236659746 0.48770278337004 118.710 > 20 79 Sn 0.14568543279217 0.12265236659746 0.98770278337004 118.710 > 20 80 Sn 0.64568543279217 0.12265236659746 0.98770278337004 118.710 > 20 *81 Sn 0.09228404150402 0.25804135733637 0.30033857382145 118.710 > 21 82 Sn 0.59228404150402 0.25804135733637 0.30033857382145 118.710 > 21 83 Sn 0.09228404150402 0.25804135733637 0.80033857382145 118.710 > 21 84 Sn 0.59228404150402 0.25804135733637 0.80033857382145 118.710 > 21 85 Sn 0.09228404150402 0.24195864266363 0.05033857382145 118.710 > 22 86 Sn 0.59228404150402 0.24195864266363 0.05033857382145 118.710 > 22 87 Sn 0.09228404150402 0.24195864266363 0.55033857382145 118.710 > 22 88 Sn 0.59228404150402 0.24195864266363 0.55033857382145 118.710 > 22 89 Sn 0.40771595849598 0.74195864266363 0.19966142617855 118.710 > 23 90 Sn 0.90771595849598 0.74195864266363 0.19966142617855 118.710 > 23 91 Sn 0.40771595849598 0.74195864266363 0.69966142617855 118.710 > 23 92 Sn 0.90771595849598 0.74195864266363 0.69966142617855 118.710 > 23 93 Sn 0.40771595849598 0.75804135733637 0.44966142617855 118.710 > 24 94 Sn 0.90771595849598 0.75804135733637 0.44966142617855 118.710 > 24 95 Sn 0.40771595849598 0.75804135733637 0.94966142617855 118.710 > 24 96 Sn 0.90771595849598 0.75804135733637 0.94966142617855 118.710 > 24 *97 Ba 0.14388617454463 0.68266220921446 0.49591659483324 137.327 > 25 98 Ba 0.64388617454463 0.68266220921446 0.49591659483324 137.327 > 25 99 Ba 0.14388617454463 0.68266220921446 0.99591659483324 137.327 > 25 100 Ba 0.64388617454463 0.68266220921446 0.99591659483324 137.327 > 25 101 Ba 0.35611382545537 0.18266220921446 0.25408340516676 137.327 > 26 102 Ba 0.85611382545537 0.18266220921446 0.25408340516676 137.327 > 26 103 Ba 0.35611382545537 0.18266220921446 0.75408340516676 137.327 > 26 104 Ba 0.85611382545537 0.18266220921446 0.75408340516676 137.327 > 26 105 Ba 0.35611382545537 0.31733779078554 0.00408340516676 137.327 > 27 106 Ba 0.85611382545537 0.31733779078554 0.00408340516676 137.327 > 27 107 Ba 0.35611382545537 0.31733779078554 0.50408340516676 137.327 > 27 108 Ba 0.85611382545537 0.31733779078554 0.50408340516676 137.327 > 27 109 Ba 0.14388617454463 0.81733779078554 0.24591659483324 137.327 > 28 110 Ba 0.64388617454463 0.81733779078554 0.24591659483324 137.327 > 28 111 Ba 0.14388617454463 0.81733779078554 0.74591659483324 137.327 > 28 112 Ba 0.64388617454463 0.81733779078554 0.74591659483324 137.327 > 28 *113 Ba 0.38104283483235 0.56105892995447 0.00316164478894 137.327 > 29 114 Ba 0.88104283483235 0.56105892995447 0.00316164478894 137.327 > 29 115 Ba 0.38104283483235 0.56105892995447 0.50316164478894 137.327 > 29 116 Ba 0.88104283483235 0.56105892995447 0.50316164478894 137.327 > 29 117 Ba 0.11895716516765 0.06105892995447 0.24683835521106 137.327 > 30 118 Ba 0.61895716516765 0.06105892995447 0.24683835521106 137.327 > 30 119 Ba 0.11895716516765 0.06105892995447 0.74683835521106 137.327 > 30 120 Ba 0.61895716516765 0.06105892995447 0.74683835521106 137.327 > 30 121 Ba 0.11895716516765 0.43894107004553 0.49683835521106 137.327 > 31 122 Ba 0.61895716516765 0.43894107004553 0.49683835521106 137.327 > 31 123 Ba 0.11895716516765 0.43894107004553 0.99683835521106 137.327 > 31 124 Ba 0.61895716516765 0.43894107004553 0.99683835521106 137.327 > 31 125 Ba 0.38104283483235 0.93894107004553 0.25316164478894 137.327 > 32 126 Ba 0.88104283483235 0.93894107004553 0.25316164478894 137.327 > 32 127 Ba 0.38104283483235 0.93894107004553 0.75316164478894 137.327 > 32 128 Ba 0.88104283483235 0.93894107004553 0.75316164478894 137.327 > 32 *129 Ba 0.12068069889655 0.56426089599497 0.24388132624079 137.327 > 33 130 Ba 0.62068069889655 0.56426089599497 0.24388132624079 137.327 > 33 131 Ba 0.12068069889655 0.56426089599497 0.74388132624079 137.327 > 33 132 Ba 0.62068069889655 0.56426089599497 0.74388132624079 137.327 > 33 133 Ba 0.37931930110345 0.06426089599497 0.00611867375921 137.327 > 34 134 Ba 0.87931930110345 0.06426089599497 0.00611867375921 137.327 > 34 135 Ba 0.37931930110345 0.06426089599497 0.50611867375921 137.327 > 34 136 Ba 0.87931930110345 0.06426089599497 0.50611867375921 137.327 > 34 137 Ba 0.37931930110345 0.43573910400503 0.25611867375921 137.327 > 35 138 Ba 0.87931930110345 0.43573910400503 0.25611867375921 137.327 > 35 139 Ba 0.37931930110345 0.43573910400503 0.75611867375921 137.327 > 35 140 Ba 0.87931930110345 0.43573910400503 0.75611867375921 137.327 > 35 141 Ba 0.12068069889655 0.93573910400503 0.49388132624079 137.327 > 36 142 Ba 0.62068069889655 0.93573910400503 0.49388132624079 137.327 > 36 143 Ba 0.12068069889655 0.93573910400503 0.99388132624079 137.327 > 36 144 Ba 0.62068069889655 0.93573910400503 0.99388132624079 137.327 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.2223739 0.0000000 0.6157625 0.0000000 12.8650204 0.0000000 0.6161077 0.0000000 14.8969989 -------------------------- Born effective charges -------------------------- 1 As -3.2312264 0.3450036 -0.6139226 0.0891365 -3.6800215 0.3023685 -0.7997383 0.5303637 -3.4310925 2 As -3.2312264 -0.3450036 -0.6139226 -0.0891365 -3.6800215 -0.3023685 -0.7997383 -0.5303637 -3.4310925 3 As -3.2312264 0.3450036 -0.6139226 0.0891365 -3.6800215 0.3023685 -0.7997383 0.5303637 -3.4310925 4 As -3.2312264 -0.3450036 -0.6139226 -0.0891365 -3.6800215 -0.3023685 -0.7997383 -0.5303637 -3.4310925 5 As -2.8434102 -0.3622134 -0.6469147 -0.3226102 -3.6427250 -0.4961692 -0.7516932 -0.5094283 -3.9008844 6 As -2.8434102 0.3622134 -0.6469147 0.3226102 -3.6427250 0.4961692 -0.7516932 0.5094283 -3.9008844 7 As -2.8434102 -0.3622134 -0.6469147 -0.3226102 -3.6427250 -0.4961692 -0.7516932 -0.5094283 -3.9008844 8 As -2.8434102 0.3622134 -0.6469147 0.3226102 -3.6427250 0.4961692 -0.7516932 0.5094283 -3.9008844 9 As -3.2364957 -0.0071727 0.4120373 0.0662618 -3.0068815 0.4677405 0.1208151 0.6734630 -3.0790293 10 As -3.2364957 0.0071727 0.4120373 -0.0662618 -3.0068815 -0.4677405 0.1208151 -0.6734630 -3.0790293 11 As -3.2364957 -0.0071727 0.4120373 0.0662618 -3.0068815 0.4677405 0.1208151 0.6734630 -3.0790293 12 As -3.2364957 0.0071727 0.4120373 -0.0662618 -3.0068815 -0.4677405 0.1208151 -0.6734630 -3.0790293 13 As -2.6966928 -0.4019048 0.2742324 -0.2641301 -2.4255453 -0.3214781 0.7331435 -0.1642091 -3.4455454 14 As -2.6966928 0.4019048 0.2742324 0.2641301 -2.4255453 0.3214781 0.7331435 0.1642091 -3.4455454 15 As -2.6966928 -0.4019048 0.2742324 -0.2641301 -2.4255453 -0.3214781 0.7331435 -0.1642091 -3.4455454 16 As -2.6966928 0.4019048 0.2742324 0.2641301 -2.4255453 0.3214781 0.7331435 0.1642091 -3.4455454 17 Sn 1.8078804 0.0079132 0.4704602 -0.1813983 2.5424933 0.4140595 0.1394139 0.0280030 2.4203477 18 Sn 1.8078804 -0.0079132 0.4704602 0.1813983 2.5424933 -0.4140595 0.1394139 -0.0280030 2.4203477 19 Sn 1.8078804 0.0079132 0.4704602 -0.1813983 2.5424933 0.4140595 0.1394139 0.0280030 2.4203477 20 Sn 1.8078804 -0.0079132 0.4704602 0.1813983 2.5424933 -0.4140595 0.1394139 -0.0280030 2.4203477 21 Sn 1.1951316 -0.2397625 -0.4313802 -0.3470127 1.3685164 -0.3926872 -0.2130286 -0.0107609 2.7360029 22 Sn 1.1951316 0.2397625 -0.4313802 0.3470127 1.3685164 0.3926872 -0.2130286 0.0107609 2.7360029 23 Sn 1.1951316 -0.2397625 -0.4313802 -0.3470127 1.3685164 -0.3926872 -0.2130286 -0.0107609 2.7360029 24 Sn 1.1951316 0.2397625 -0.4313802 0.3470127 1.3685164 0.3926872 -0.2130286 0.0107609 2.7360029 25 Ba 3.7083117 0.1371320 0.1789943 -0.2640898 2.2360835 0.2517549 0.2816338 -0.2583359 2.9851201 26 Ba 3.7083117 -0.1371320 0.1789943 0.2640898 2.2360835 -0.2517549 0.2816338 0.2583359 2.9851201 27 Ba 3.7083117 0.1371320 0.1789943 -0.2640898 2.2360835 0.2517549 0.2816338 -0.2583359 2.9851201 28 Ba 3.7083117 -0.1371320 0.1789943 0.2640898 2.2360835 -0.2517549 0.2816338 0.2583359 2.9851201 29 Ba 2.2198051 -0.0679521 0.1563683 0.2984671 3.3252464 -0.1957580 0.0426486 -0.1014467 3.4226992 30 Ba 2.2198051 0.0679521 0.1563683 -0.2984671 3.3252464 0.1957580 0.0426486 0.1014467 3.4226992 31 Ba 2.2198051 -0.0679521 0.1563683 0.2984671 3.3252464 -0.1957580 0.0426486 -0.1014467 3.4226992 32 Ba 2.2198051 0.0679521 0.1563683 -0.2984671 3.3252464 0.1957580 0.0426486 0.1014467 3.4226992 33 Ba 3.0766963 0.1123281 0.2001249 0.1294912 3.2828336 0.0796048 0.4468052 -0.2682886 2.2923817 34 Ba 3.0766963 -0.1123281 0.2001249 -0.1294912 3.2828336 -0.0796048 0.4468052 0.2682886 2.2923817 35 Ba 3.0766963 0.1123281 0.2001249 0.1294912 3.2828336 0.0796048 0.4468052 -0.2682886 2.2923817 36 Ba 3.0766963 -0.1123281 0.2001249 -0.1294912 3.2828336 -0.0796048 0.4468052 0.2682886 2.2923817 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.793 Solver_block: 200 / 1120 - Time: 2.495 Solver_block: 300 / 1120 - Time: 2.780 Solver_block: 400 / 1120 - Time: 2.313 Solver_block: 500 / 1120 - Time: 2.492 Solver_block: 600 / 1120 - Time: 2.667 Solver_block: 700 / 1120 - Time: 2.355 Solver_block: 800 / 1120 - Time: 2.590 Solver_block: 900 / 1120 - Time: 2.450 Solver_block: 1000 / 1120 - Time: 2.682 Solver_block: 1100 / 1120 - Time: 2.535 Solver_block: 1120 / 1120 - Time: 0.818 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 29.844 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zy) 0.00000000 (zy) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 281 eigenvectors found. (1) Complementary block size: 49 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 31), data: (1296, 49) @ (49, 31) |-- (296, 281), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zy) -0.00000000 (zy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:24:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:24:03]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.033899440087055 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -2.987033000923707 0.000000000000000 7.333809834623586 Atomic positions (fractional): 1 As 0.99896805950860 0.56429572453803 0.74710255864679 74.922 2 As 0.00103194049140 0.06429572453803 0.75289744135321 74.922 3 As 0.00103194049140 0.43570427546197 0.25289744135321 74.922 4 As 0.99896805950860 0.93570427546197 0.24710255864680 74.922 5 As 0.49908827695437 0.55304812383023 0.24818045831064 74.922 6 As 0.50091172304563 0.05304812383023 0.25181954168936 74.922 7 As 0.50091172304563 0.44695187616977 0.75181954168936 74.922 8 As 0.49908827695437 0.94695187616977 0.74818045831064 74.922 9 As 0.53234315995097 0.81731736389687 0.21505616586387 74.922 10 As 0.46765684004903 0.31731736389687 0.28494383413613 74.922 11 As 0.46765684004903 0.18268263610313 0.78494383413613 74.922 12 As 0.53234315995097 0.68268263610313 0.71505616586387 74.922 13 As 0.98621492200294 0.19944578941070 0.28478694196961 74.922 14 As 0.98621492200294 0.30055421058930 0.78478694196961 74.922 15 As 0.01378507799706 0.80055421058930 0.71521305803039 74.922 16 As 0.01378507799706 0.69944578941070 0.21521305803039 74.922 17 Sn 0.29137086558433 0.37734763340254 0.47540556674008 118.710 18 Sn 0.70862913441567 0.87734763340254 0.02459443325992 118.710 19 Sn 0.70862913441567 0.62265236659746 0.52459443325992 118.710 20 Sn 0.29137086558433 0.12265236659746 0.97540556674008 118.710 21 Sn 0.18456808300805 0.25804135733637 0.60067714764291 118.710 22 Sn 0.18456808300805 0.24195864266363 0.10067714764291 118.710 23 Sn 0.81543191699195 0.74195864266363 0.39932285235709 118.710 24 Sn 0.81543191699195 0.75804135733637 0.89932285235709 118.710 25 Ba 0.28777234908925 0.68266220921446 0.99183318966648 137.327 26 Ba 0.71222765091075 0.18266220921446 0.50816681033352 137.327 27 Ba 0.71222765091075 0.31733779078554 0.00816681033352 137.327 28 Ba 0.28777234908925 0.81733779078554 0.49183318966648 137.327 29 Ba 0.76208566966471 0.56105892995447 0.00632328957789 137.327 30 Ba 0.23791433033529 0.06105892995447 0.49367671042211 137.327 31 Ba 0.23791433033529 0.43894107004553 0.99367671042211 137.327 32 Ba 0.76208566966471 0.93894107004553 0.50632328957789 137.327 33 Ba 0.24136139779310 0.56426089599497 0.48776265248158 137.327 34 Ba 0.75863860220690 0.06426089599497 0.01223734751842 137.327 35 Ba 0.75863860220690 0.43573910400503 0.51223734751842 137.327 36 Ba 0.24136139779310 0.93573910400503 0.98776265248158 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.067798880174109 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -5.974066001847414 0.000000000000000 14.667619669247172 Atomic positions (fractional): 1 As 0.49948402975430 0.56429572453803 0.37355127932340 74.922 > 1 2 As 0.99948402975430 0.56429572453803 0.37355127932340 74.922 > 1 3 As 0.49948402975430 0.56429572453803 0.87355127932340 74.922 > 1 4 As 0.99948402975430 0.56429572453803 0.87355127932340 74.922 > 1 5 As 0.00051597024570 0.06429572453803 0.37644872067660 74.922 > 5 6 As 0.50051597024570 0.06429572453803 0.37644872067660 74.922 > 5 7 As 0.00051597024570 0.06429572453803 0.87644872067660 74.922 > 5 8 As 0.50051597024570 0.06429572453803 0.87644872067660 74.922 > 5 9 As 0.00051597024570 0.43570427546197 0.12644872067660 74.922 > 9 10 As 0.50051597024570 0.43570427546197 0.12644872067660 74.922 > 9 11 As 0.00051597024570 0.43570427546197 0.62644872067660 74.922 > 9 12 As 0.50051597024570 0.43570427546197 0.62644872067660 74.922 > 9 13 As 0.49948402975430 0.93570427546197 0.12355127932340 74.922 > 13 14 As 0.99948402975430 0.93570427546197 0.12355127932340 74.922 > 13 15 As 0.49948402975430 0.93570427546197 0.62355127932340 74.922 > 13 16 As 0.99948402975430 0.93570427546197 0.62355127932340 74.922 > 13 17 As 0.24954413847718 0.55304812383023 0.12409022915532 74.922 > 17 18 As 0.74954413847718 0.55304812383023 0.12409022915532 74.922 > 17 19 As 0.24954413847718 0.55304812383023 0.62409022915532 74.922 > 17 20 As 0.74954413847718 0.55304812383023 0.62409022915532 74.922 > 17 21 As 0.25045586152282 0.05304812383023 0.12590977084468 74.922 > 21 22 As 0.75045586152282 0.05304812383023 0.12590977084468 74.922 > 21 23 As 0.25045586152282 0.05304812383023 0.62590977084468 74.922 > 21 24 As 0.75045586152282 0.05304812383023 0.62590977084468 74.922 > 21 25 As 0.25045586152282 0.44695187616977 0.37590977084468 74.922 > 25 26 As 0.75045586152282 0.44695187616977 0.37590977084468 74.922 > 25 27 As 0.25045586152282 0.44695187616977 0.87590977084468 74.922 > 25 28 As 0.75045586152282 0.44695187616977 0.87590977084468 74.922 > 25 29 As 0.24954413847718 0.94695187616977 0.37409022915532 74.922 > 29 30 As 0.74954413847718 0.94695187616977 0.37409022915532 74.922 > 29 31 As 0.24954413847718 0.94695187616977 0.87409022915532 74.922 > 29 32 As 0.74954413847718 0.94695187616977 0.87409022915532 74.922 > 29 33 As 0.26617157997549 0.81731736389687 0.10752808293193 74.922 > 33 34 As 0.76617157997549 0.81731736389687 0.10752808293193 74.922 > 33 35 As 0.26617157997549 0.81731736389687 0.60752808293193 74.922 > 33 36 As 0.76617157997549 0.81731736389687 0.60752808293193 74.922 > 33 37 As 0.23382842002451 0.31731736389687 0.14247191706807 74.922 > 37 38 As 0.73382842002451 0.31731736389687 0.14247191706807 74.922 > 37 39 As 0.23382842002451 0.31731736389687 0.64247191706807 74.922 > 37 40 As 0.73382842002451 0.31731736389687 0.64247191706807 74.922 > 37 41 As 0.23382842002451 0.18268263610313 0.39247191706807 74.922 > 41 42 As 0.73382842002451 0.18268263610313 0.39247191706807 74.922 > 41 43 As 0.23382842002451 0.18268263610313 0.89247191706807 74.922 > 41 44 As 0.73382842002451 0.18268263610313 0.89247191706807 74.922 > 41 45 As 0.26617157997549 0.68268263610313 0.35752808293193 74.922 > 45 46 As 0.76617157997549 0.68268263610313 0.35752808293193 74.922 > 45 47 As 0.26617157997549 0.68268263610313 0.85752808293193 74.922 > 45 48 As 0.76617157997549 0.68268263610313 0.85752808293193 74.922 > 45 49 As 0.49310746100147 0.19944578941070 0.14239347098480 74.922 > 49 50 As 0.99310746100147 0.19944578941070 0.14239347098480 74.922 > 49 51 As 0.49310746100147 0.19944578941070 0.64239347098480 74.922 > 49 52 As 0.99310746100147 0.19944578941070 0.64239347098480 74.922 > 49 53 As 0.49310746100147 0.30055421058930 0.39239347098480 74.922 > 53 54 As 0.99310746100147 0.30055421058930 0.39239347098480 74.922 > 53 55 As 0.49310746100147 0.30055421058930 0.89239347098480 74.922 > 53 56 As 0.99310746100147 0.30055421058930 0.89239347098480 74.922 > 53 57 As 0.00689253899853 0.80055421058930 0.35760652901520 74.922 > 57 58 As 0.50689253899853 0.80055421058930 0.35760652901520 74.922 > 57 59 As 0.00689253899853 0.80055421058930 0.85760652901520 74.922 > 57 60 As 0.50689253899853 0.80055421058930 0.85760652901520 74.922 > 57 61 As 0.00689253899853 0.69944578941070 0.10760652901520 74.922 > 61 62 As 0.50689253899853 0.69944578941070 0.10760652901520 74.922 > 61 63 As 0.00689253899853 0.69944578941070 0.60760652901520 74.922 > 61 64 As 0.50689253899853 0.69944578941070 0.60760652901520 74.922 > 61 65 Sn 0.14568543279217 0.37734763340254 0.23770278337004 118.710 > 65 66 Sn 0.64568543279217 0.37734763340254 0.23770278337004 118.710 > 65 67 Sn 0.14568543279217 0.37734763340254 0.73770278337004 118.710 > 65 68 Sn 0.64568543279217 0.37734763340254 0.73770278337004 118.710 > 65 69 Sn 0.35431456720783 0.87734763340254 0.01229721662996 118.710 > 69 70 Sn 0.85431456720783 0.87734763340254 0.01229721662996 118.710 > 69 71 Sn 0.35431456720783 0.87734763340254 0.51229721662996 118.710 > 69 72 Sn 0.85431456720783 0.87734763340254 0.51229721662996 118.710 > 69 73 Sn 0.35431456720783 0.62265236659746 0.26229721662996 118.710 > 73 74 Sn 0.85431456720783 0.62265236659746 0.26229721662996 118.710 > 73 75 Sn 0.35431456720783 0.62265236659746 0.76229721662996 118.710 > 73 76 Sn 0.85431456720783 0.62265236659746 0.76229721662996 118.710 > 73 77 Sn 0.14568543279217 0.12265236659746 0.48770278337004 118.710 > 77 78 Sn 0.64568543279217 0.12265236659746 0.48770278337004 118.710 > 77 79 Sn 0.14568543279217 0.12265236659746 0.98770278337004 118.710 > 77 80 Sn 0.64568543279217 0.12265236659746 0.98770278337004 118.710 > 77 81 Sn 0.09228404150402 0.25804135733637 0.30033857382145 118.710 > 81 82 Sn 0.59228404150402 0.25804135733637 0.30033857382145 118.710 > 81 83 Sn 0.09228404150402 0.25804135733637 0.80033857382145 118.710 > 81 84 Sn 0.59228404150402 0.25804135733637 0.80033857382145 118.710 > 81 85 Sn 0.09228404150402 0.24195864266363 0.05033857382145 118.710 > 85 86 Sn 0.59228404150402 0.24195864266363 0.05033857382145 118.710 > 85 87 Sn 0.09228404150402 0.24195864266363 0.55033857382145 118.710 > 85 88 Sn 0.59228404150402 0.24195864266363 0.55033857382145 118.710 > 85 89 Sn 0.40771595849598 0.74195864266363 0.19966142617855 118.710 > 89 90 Sn 0.90771595849598 0.74195864266363 0.19966142617855 118.710 > 89 91 Sn 0.40771595849598 0.74195864266363 0.69966142617855 118.710 > 89 92 Sn 0.90771595849598 0.74195864266363 0.69966142617855 118.710 > 89 93 Sn 0.40771595849598 0.75804135733637 0.44966142617855 118.710 > 93 94 Sn 0.90771595849598 0.75804135733637 0.44966142617855 118.710 > 93 95 Sn 0.40771595849598 0.75804135733637 0.94966142617855 118.710 > 93 96 Sn 0.90771595849598 0.75804135733637 0.94966142617855 118.710 > 93 97 Ba 0.14388617454463 0.68266220921446 0.49591659483324 137.327 > 97 98 Ba 0.64388617454463 0.68266220921446 0.49591659483324 137.327 > 97 99 Ba 0.14388617454463 0.68266220921446 0.99591659483324 137.327 > 97 100 Ba 0.64388617454463 0.68266220921446 0.99591659483324 137.327 > 97 101 Ba 0.35611382545537 0.18266220921446 0.25408340516676 137.327 > 101 102 Ba 0.85611382545537 0.18266220921446 0.25408340516676 137.327 > 101 103 Ba 0.35611382545537 0.18266220921446 0.75408340516676 137.327 > 101 104 Ba 0.85611382545537 0.18266220921446 0.75408340516676 137.327 > 101 105 Ba 0.35611382545537 0.31733779078554 0.00408340516676 137.327 > 105 106 Ba 0.85611382545537 0.31733779078554 0.00408340516676 137.327 > 105 107 Ba 0.35611382545537 0.31733779078554 0.50408340516676 137.327 > 105 108 Ba 0.85611382545537 0.31733779078554 0.50408340516676 137.327 > 105 109 Ba 0.14388617454463 0.81733779078554 0.24591659483324 137.327 > 109 110 Ba 0.64388617454463 0.81733779078554 0.24591659483324 137.327 > 109 111 Ba 0.14388617454463 0.81733779078554 0.74591659483324 137.327 > 109 112 Ba 0.64388617454463 0.81733779078554 0.74591659483324 137.327 > 109 113 Ba 0.38104283483235 0.56105892995447 0.00316164478894 137.327 > 113 114 Ba 0.88104283483235 0.56105892995447 0.00316164478894 137.327 > 113 115 Ba 0.38104283483235 0.56105892995447 0.50316164478894 137.327 > 113 116 Ba 0.88104283483235 0.56105892995447 0.50316164478894 137.327 > 113 117 Ba 0.11895716516765 0.06105892995447 0.24683835521106 137.327 > 117 118 Ba 0.61895716516765 0.06105892995447 0.24683835521106 137.327 > 117 119 Ba 0.11895716516765 0.06105892995447 0.74683835521106 137.327 > 117 120 Ba 0.61895716516765 0.06105892995447 0.74683835521106 137.327 > 117 121 Ba 0.11895716516765 0.43894107004553 0.49683835521106 137.327 > 121 122 Ba 0.61895716516765 0.43894107004553 0.49683835521106 137.327 > 121 123 Ba 0.11895716516765 0.43894107004553 0.99683835521106 137.327 > 121 124 Ba 0.61895716516765 0.43894107004553 0.99683835521106 137.327 > 121 125 Ba 0.38104283483235 0.93894107004553 0.25316164478894 137.327 > 125 126 Ba 0.88104283483235 0.93894107004553 0.25316164478894 137.327 > 125 127 Ba 0.38104283483235 0.93894107004553 0.75316164478894 137.327 > 125 128 Ba 0.88104283483235 0.93894107004553 0.75316164478894 137.327 > 125 129 Ba 0.12068069889655 0.56426089599497 0.24388132624079 137.327 > 129 130 Ba 0.62068069889655 0.56426089599497 0.24388132624079 137.327 > 129 131 Ba 0.12068069889655 0.56426089599497 0.74388132624079 137.327 > 129 132 Ba 0.62068069889655 0.56426089599497 0.74388132624079 137.327 > 129 133 Ba 0.37931930110345 0.06426089599497 0.00611867375921 137.327 > 133 134 Ba 0.87931930110345 0.06426089599497 0.00611867375921 137.327 > 133 135 Ba 0.37931930110345 0.06426089599497 0.50611867375921 137.327 > 133 136 Ba 0.87931930110345 0.06426089599497 0.50611867375921 137.327 > 133 137 Ba 0.37931930110345 0.43573910400503 0.25611867375921 137.327 > 137 138 Ba 0.87931930110345 0.43573910400503 0.25611867375921 137.327 > 137 139 Ba 0.37931930110345 0.43573910400503 0.75611867375921 137.327 > 137 140 Ba 0.87931930110345 0.43573910400503 0.75611867375921 137.327 > 137 141 Ba 0.12068069889655 0.93573910400503 0.49388132624079 137.327 > 141 142 Ba 0.62068069889655 0.93573910400503 0.49388132624079 137.327 > 141 143 Ba 0.12068069889655 0.93573910400503 0.99388132624079 137.327 > 141 144 Ba 0.62068069889655 0.93573910400503 0.99388132624079 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.2223739 0.0000000 0.6157625 0.0000000 12.8650204 0.0000000 0.6161077 0.0000000 14.8969989 -------------------------- Born effective charges -------------------------- 1 As -3.2312264 0.3450036 -0.6139226 0.0891365 -3.6800215 0.3023685 -0.7997383 0.5303637 -3.4310925 2 As -3.2312264 -0.3450036 -0.6139226 -0.0891365 -3.6800215 -0.3023685 -0.7997383 -0.5303637 -3.4310925 3 As -3.2312264 0.3450036 -0.6139226 0.0891365 -3.6800215 0.3023685 -0.7997383 0.5303637 -3.4310925 4 As -3.2312264 -0.3450036 -0.6139226 -0.0891365 -3.6800215 -0.3023685 -0.7997383 -0.5303637 -3.4310925 5 As -2.8434102 -0.3622134 -0.6469147 -0.3226102 -3.6427250 -0.4961692 -0.7516932 -0.5094283 -3.9008844 6 As -2.8434102 0.3622134 -0.6469147 0.3226102 -3.6427250 0.4961692 -0.7516932 0.5094283 -3.9008844 7 As -2.8434102 -0.3622134 -0.6469147 -0.3226102 -3.6427250 -0.4961692 -0.7516932 -0.5094283 -3.9008844 8 As -2.8434102 0.3622134 -0.6469147 0.3226102 -3.6427250 0.4961692 -0.7516932 0.5094283 -3.9008844 9 As -3.2364957 -0.0071727 0.4120373 0.0662618 -3.0068815 0.4677405 0.1208151 0.6734630 -3.0790293 10 As -3.2364957 0.0071727 0.4120373 -0.0662618 -3.0068815 -0.4677405 0.1208151 -0.6734630 -3.0790293 11 As -3.2364957 -0.0071727 0.4120373 0.0662618 -3.0068815 0.4677405 0.1208151 0.6734630 -3.0790293 12 As -3.2364957 0.0071727 0.4120373 -0.0662618 -3.0068815 -0.4677405 0.1208151 -0.6734630 -3.0790293 13 As -2.6966928 -0.4019048 0.2742324 -0.2641301 -2.4255453 -0.3214781 0.7331435 -0.1642091 -3.4455454 14 As -2.6966928 0.4019048 0.2742324 0.2641301 -2.4255453 0.3214781 0.7331435 0.1642091 -3.4455454 15 As -2.6966928 -0.4019048 0.2742324 -0.2641301 -2.4255453 -0.3214781 0.7331435 -0.1642091 -3.4455454 16 As -2.6966928 0.4019048 0.2742324 0.2641301 -2.4255453 0.3214781 0.7331435 0.1642091 -3.4455454 17 Sn 1.8078804 0.0079132 0.4704602 -0.1813983 2.5424933 0.4140595 0.1394139 0.0280030 2.4203477 18 Sn 1.8078804 -0.0079132 0.4704602 0.1813983 2.5424933 -0.4140595 0.1394139 -0.0280030 2.4203477 19 Sn 1.8078804 0.0079132 0.4704602 -0.1813983 2.5424933 0.4140595 0.1394139 0.0280030 2.4203477 20 Sn 1.8078804 -0.0079132 0.4704602 0.1813983 2.5424933 -0.4140595 0.1394139 -0.0280030 2.4203477 21 Sn 1.1951316 -0.2397625 -0.4313802 -0.3470127 1.3685164 -0.3926872 -0.2130286 -0.0107609 2.7360029 22 Sn 1.1951316 0.2397625 -0.4313802 0.3470127 1.3685164 0.3926872 -0.2130286 0.0107609 2.7360029 23 Sn 1.1951316 -0.2397625 -0.4313802 -0.3470127 1.3685164 -0.3926872 -0.2130286 -0.0107609 2.7360029 24 Sn 1.1951316 0.2397625 -0.4313802 0.3470127 1.3685164 0.3926872 -0.2130286 0.0107609 2.7360029 25 Ba 3.7083117 0.1371320 0.1789943 -0.2640898 2.2360835 0.2517549 0.2816338 -0.2583359 2.9851201 26 Ba 3.7083117 -0.1371320 0.1789943 0.2640898 2.2360835 -0.2517549 0.2816338 0.2583359 2.9851201 27 Ba 3.7083117 0.1371320 0.1789943 -0.2640898 2.2360835 0.2517549 0.2816338 -0.2583359 2.9851201 28 Ba 3.7083117 -0.1371320 0.1789943 0.2640898 2.2360835 -0.2517549 0.2816338 0.2583359 2.9851201 29 Ba 2.2198051 -0.0679521 0.1563683 0.2984671 3.3252464 -0.1957580 0.0426486 -0.1014467 3.4226992 30 Ba 2.2198051 0.0679521 0.1563683 -0.2984671 3.3252464 0.1957580 0.0426486 0.1014467 3.4226992 31 Ba 2.2198051 -0.0679521 0.1563683 0.2984671 3.3252464 -0.1957580 0.0426486 -0.1014467 3.4226992 32 Ba 2.2198051 0.0679521 0.1563683 -0.2984671 3.3252464 0.1957580 0.0426486 0.1014467 3.4226992 33 Ba 3.0766963 0.1123281 0.2001249 0.1294912 3.2828336 0.0796048 0.4468052 -0.2682886 2.2923817 34 Ba 3.0766963 -0.1123281 0.2001249 -0.1294912 3.2828336 -0.0796048 0.4468052 0.2682886 2.2923817 35 Ba 3.0766963 0.1123281 0.2001249 0.1294912 3.2828336 0.0796048 0.4468052 -0.2682886 2.2923817 36 Ba 3.0766963 -0.1123281 0.2001249 -0.1294912 3.2828336 -0.0796048 0.4468052 0.2682886 2.2923817 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0038 0.0000 0.0093] [ 0.0038 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:25:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:25:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.033899440087055 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -2.987033000923707 0.000000000000000 7.333809834623586 Atomic positions (fractional): 1 As 0.99896805950860 0.56429572453803 0.74710255864679 74.922 2 As 0.00103194049140 0.06429572453803 0.75289744135321 74.922 3 As 0.00103194049140 0.43570427546197 0.25289744135321 74.922 4 As 0.99896805950860 0.93570427546197 0.24710255864680 74.922 5 As 0.49908827695437 0.55304812383023 0.24818045831064 74.922 6 As 0.50091172304563 0.05304812383023 0.25181954168936 74.922 7 As 0.50091172304563 0.44695187616977 0.75181954168936 74.922 8 As 0.49908827695437 0.94695187616977 0.74818045831064 74.922 9 As 0.53234315995097 0.81731736389687 0.21505616586387 74.922 10 As 0.46765684004903 0.31731736389687 0.28494383413613 74.922 11 As 0.46765684004903 0.18268263610313 0.78494383413613 74.922 12 As 0.53234315995097 0.68268263610313 0.71505616586387 74.922 13 As 0.98621492200294 0.19944578941070 0.28478694196961 74.922 14 As 0.98621492200294 0.30055421058930 0.78478694196961 74.922 15 As 0.01378507799706 0.80055421058930 0.71521305803039 74.922 16 As 0.01378507799706 0.69944578941070 0.21521305803039 74.922 17 Sn 0.29137086558433 0.37734763340254 0.47540556674008 118.710 18 Sn 0.70862913441567 0.87734763340254 0.02459443325992 118.710 19 Sn 0.70862913441567 0.62265236659746 0.52459443325992 118.710 20 Sn 0.29137086558433 0.12265236659746 0.97540556674008 118.710 21 Sn 0.18456808300805 0.25804135733637 0.60067714764291 118.710 22 Sn 0.18456808300805 0.24195864266363 0.10067714764291 118.710 23 Sn 0.81543191699195 0.74195864266363 0.39932285235709 118.710 24 Sn 0.81543191699195 0.75804135733637 0.89932285235709 118.710 25 Ba 0.28777234908925 0.68266220921446 0.99183318966648 137.327 26 Ba 0.71222765091075 0.18266220921446 0.50816681033352 137.327 27 Ba 0.71222765091075 0.31733779078554 0.00816681033352 137.327 28 Ba 0.28777234908925 0.81733779078554 0.49183318966648 137.327 29 Ba 0.76208566966471 0.56105892995447 0.00632328957789 137.327 30 Ba 0.23791433033529 0.06105892995447 0.49367671042211 137.327 31 Ba 0.23791433033529 0.43894107004553 0.99367671042211 137.327 32 Ba 0.76208566966471 0.93894107004553 0.50632328957789 137.327 33 Ba 0.24136139779310 0.56426089599497 0.48776265248158 137.327 34 Ba 0.75863860220690 0.06426089599497 0.01223734751842 137.327 35 Ba 0.75863860220690 0.43573910400503 0.51223734751842 137.327 36 Ba 0.24136139779310 0.93573910400503 0.98776265248158 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.067798880174109 0.000000000000000 0.000000000000000 b 0.000000000000000 19.751523020000004 0.000000000000000 c -5.974066001847414 0.000000000000000 14.667619669247172 Atomic positions (fractional): 1 As 0.49948402975430 0.56429572453803 0.37355127932340 74.922 > 1 2 As 0.99948402975430 0.56429572453803 0.37355127932340 74.922 > 1 3 As 0.49948402975430 0.56429572453803 0.87355127932340 74.922 > 1 4 As 0.99948402975430 0.56429572453803 0.87355127932340 74.922 > 1 5 As 0.00051597024570 0.06429572453803 0.37644872067660 74.922 > 5 6 As 0.50051597024570 0.06429572453803 0.37644872067660 74.922 > 5 7 As 0.00051597024570 0.06429572453803 0.87644872067660 74.922 > 5 8 As 0.50051597024570 0.06429572453803 0.87644872067660 74.922 > 5 9 As 0.00051597024570 0.43570427546197 0.12644872067660 74.922 > 9 10 As 0.50051597024570 0.43570427546197 0.12644872067660 74.922 > 9 11 As 0.00051597024570 0.43570427546197 0.62644872067660 74.922 > 9 12 As 0.50051597024570 0.43570427546197 0.62644872067660 74.922 > 9 13 As 0.49948402975430 0.93570427546197 0.12355127932340 74.922 > 13 14 As 0.99948402975430 0.93570427546197 0.12355127932340 74.922 > 13 15 As 0.49948402975430 0.93570427546197 0.62355127932340 74.922 > 13 16 As 0.99948402975430 0.93570427546197 0.62355127932340 74.922 > 13 17 As 0.24954413847718 0.55304812383023 0.12409022915532 74.922 > 17 18 As 0.74954413847718 0.55304812383023 0.12409022915532 74.922 > 17 19 As 0.24954413847718 0.55304812383023 0.62409022915532 74.922 > 17 20 As 0.74954413847718 0.55304812383023 0.62409022915532 74.922 > 17 21 As 0.25045586152282 0.05304812383023 0.12590977084468 74.922 > 21 22 As 0.75045586152282 0.05304812383023 0.12590977084468 74.922 > 21 23 As 0.25045586152282 0.05304812383023 0.62590977084468 74.922 > 21 24 As 0.75045586152282 0.05304812383023 0.62590977084468 74.922 > 21 25 As 0.25045586152282 0.44695187616977 0.37590977084468 74.922 > 25 26 As 0.75045586152282 0.44695187616977 0.37590977084468 74.922 > 25 27 As 0.25045586152282 0.44695187616977 0.87590977084468 74.922 > 25 28 As 0.75045586152282 0.44695187616977 0.87590977084468 74.922 > 25 29 As 0.24954413847718 0.94695187616977 0.37409022915532 74.922 > 29 30 As 0.74954413847718 0.94695187616977 0.37409022915532 74.922 > 29 31 As 0.24954413847718 0.94695187616977 0.87409022915532 74.922 > 29 32 As 0.74954413847718 0.94695187616977 0.87409022915532 74.922 > 29 33 As 0.26617157997549 0.81731736389687 0.10752808293193 74.922 > 33 34 As 0.76617157997549 0.81731736389687 0.10752808293193 74.922 > 33 35 As 0.26617157997549 0.81731736389687 0.60752808293193 74.922 > 33 36 As 0.76617157997549 0.81731736389687 0.60752808293193 74.922 > 33 37 As 0.23382842002451 0.31731736389687 0.14247191706807 74.922 > 37 38 As 0.73382842002451 0.31731736389687 0.14247191706807 74.922 > 37 39 As 0.23382842002451 0.31731736389687 0.64247191706807 74.922 > 37 40 As 0.73382842002451 0.31731736389687 0.64247191706807 74.922 > 37 41 As 0.23382842002451 0.18268263610313 0.39247191706807 74.922 > 41 42 As 0.73382842002451 0.18268263610313 0.39247191706807 74.922 > 41 43 As 0.23382842002451 0.18268263610313 0.89247191706807 74.922 > 41 44 As 0.73382842002451 0.18268263610313 0.89247191706807 74.922 > 41 45 As 0.26617157997549 0.68268263610313 0.35752808293193 74.922 > 45 46 As 0.76617157997549 0.68268263610313 0.35752808293193 74.922 > 45 47 As 0.26617157997549 0.68268263610313 0.85752808293193 74.922 > 45 48 As 0.76617157997549 0.68268263610313 0.85752808293193 74.922 > 45 49 As 0.49310746100147 0.19944578941070 0.14239347098480 74.922 > 49 50 As 0.99310746100147 0.19944578941070 0.14239347098480 74.922 > 49 51 As 0.49310746100147 0.19944578941070 0.64239347098480 74.922 > 49 52 As 0.99310746100147 0.19944578941070 0.64239347098480 74.922 > 49 53 As 0.49310746100147 0.30055421058930 0.39239347098480 74.922 > 53 54 As 0.99310746100147 0.30055421058930 0.39239347098480 74.922 > 53 55 As 0.49310746100147 0.30055421058930 0.89239347098480 74.922 > 53 56 As 0.99310746100147 0.30055421058930 0.89239347098480 74.922 > 53 57 As 0.00689253899853 0.80055421058930 0.35760652901520 74.922 > 57 58 As 0.50689253899853 0.80055421058930 0.35760652901520 74.922 > 57 59 As 0.00689253899853 0.80055421058930 0.85760652901520 74.922 > 57 60 As 0.50689253899853 0.80055421058930 0.85760652901520 74.922 > 57 61 As 0.00689253899853 0.69944578941070 0.10760652901520 74.922 > 61 62 As 0.50689253899853 0.69944578941070 0.10760652901520 74.922 > 61 63 As 0.00689253899853 0.69944578941070 0.60760652901520 74.922 > 61 64 As 0.50689253899853 0.69944578941070 0.60760652901520 74.922 > 61 65 Sn 0.14568543279217 0.37734763340254 0.23770278337004 118.710 > 65 66 Sn 0.64568543279217 0.37734763340254 0.23770278337004 118.710 > 65 67 Sn 0.14568543279217 0.37734763340254 0.73770278337004 118.710 > 65 68 Sn 0.64568543279217 0.37734763340254 0.73770278337004 118.710 > 65 69 Sn 0.35431456720783 0.87734763340254 0.01229721662996 118.710 > 69 70 Sn 0.85431456720783 0.87734763340254 0.01229721662996 118.710 > 69 71 Sn 0.35431456720783 0.87734763340254 0.51229721662996 118.710 > 69 72 Sn 0.85431456720783 0.87734763340254 0.51229721662996 118.710 > 69 73 Sn 0.35431456720783 0.62265236659746 0.26229721662996 118.710 > 73 74 Sn 0.85431456720783 0.62265236659746 0.26229721662996 118.710 > 73 75 Sn 0.35431456720783 0.62265236659746 0.76229721662996 118.710 > 73 76 Sn 0.85431456720783 0.62265236659746 0.76229721662996 118.710 > 73 77 Sn 0.14568543279217 0.12265236659746 0.48770278337004 118.710 > 77 78 Sn 0.64568543279217 0.12265236659746 0.48770278337004 118.710 > 77 79 Sn 0.14568543279217 0.12265236659746 0.98770278337004 118.710 > 77 80 Sn 0.64568543279217 0.12265236659746 0.98770278337004 118.710 > 77 81 Sn 0.09228404150402 0.25804135733637 0.30033857382145 118.710 > 81 82 Sn 0.59228404150402 0.25804135733637 0.30033857382145 118.710 > 81 83 Sn 0.09228404150402 0.25804135733637 0.80033857382145 118.710 > 81 84 Sn 0.59228404150402 0.25804135733637 0.80033857382145 118.710 > 81 85 Sn 0.09228404150402 0.24195864266363 0.05033857382145 118.710 > 85 86 Sn 0.59228404150402 0.24195864266363 0.05033857382145 118.710 > 85 87 Sn 0.09228404150402 0.24195864266363 0.55033857382145 118.710 > 85 88 Sn 0.59228404150402 0.24195864266363 0.55033857382145 118.710 > 85 89 Sn 0.40771595849598 0.74195864266363 0.19966142617855 118.710 > 89 90 Sn 0.90771595849598 0.74195864266363 0.19966142617855 118.710 > 89 91 Sn 0.40771595849598 0.74195864266363 0.69966142617855 118.710 > 89 92 Sn 0.90771595849598 0.74195864266363 0.69966142617855 118.710 > 89 93 Sn 0.40771595849598 0.75804135733637 0.44966142617855 118.710 > 93 94 Sn 0.90771595849598 0.75804135733637 0.44966142617855 118.710 > 93 95 Sn 0.40771595849598 0.75804135733637 0.94966142617855 118.710 > 93 96 Sn 0.90771595849598 0.75804135733637 0.94966142617855 118.710 > 93 97 Ba 0.14388617454463 0.68266220921446 0.49591659483324 137.327 > 97 98 Ba 0.64388617454463 0.68266220921446 0.49591659483324 137.327 > 97 99 Ba 0.14388617454463 0.68266220921446 0.99591659483324 137.327 > 97 100 Ba 0.64388617454463 0.68266220921446 0.99591659483324 137.327 > 97 101 Ba 0.35611382545537 0.18266220921446 0.25408340516676 137.327 > 101 102 Ba 0.85611382545537 0.18266220921446 0.25408340516676 137.327 > 101 103 Ba 0.35611382545537 0.18266220921446 0.75408340516676 137.327 > 101 104 Ba 0.85611382545537 0.18266220921446 0.75408340516676 137.327 > 101 105 Ba 0.35611382545537 0.31733779078554 0.00408340516676 137.327 > 105 106 Ba 0.85611382545537 0.31733779078554 0.00408340516676 137.327 > 105 107 Ba 0.35611382545537 0.31733779078554 0.50408340516676 137.327 > 105 108 Ba 0.85611382545537 0.31733779078554 0.50408340516676 137.327 > 105 109 Ba 0.14388617454463 0.81733779078554 0.24591659483324 137.327 > 109 110 Ba 0.64388617454463 0.81733779078554 0.24591659483324 137.327 > 109 111 Ba 0.14388617454463 0.81733779078554 0.74591659483324 137.327 > 109 112 Ba 0.64388617454463 0.81733779078554 0.74591659483324 137.327 > 109 113 Ba 0.38104283483235 0.56105892995447 0.00316164478894 137.327 > 113 114 Ba 0.88104283483235 0.56105892995447 0.00316164478894 137.327 > 113 115 Ba 0.38104283483235 0.56105892995447 0.50316164478894 137.327 > 113 116 Ba 0.88104283483235 0.56105892995447 0.50316164478894 137.327 > 113 117 Ba 0.11895716516765 0.06105892995447 0.24683835521106 137.327 > 117 118 Ba 0.61895716516765 0.06105892995447 0.24683835521106 137.327 > 117 119 Ba 0.11895716516765 0.06105892995447 0.74683835521106 137.327 > 117 120 Ba 0.61895716516765 0.06105892995447 0.74683835521106 137.327 > 117 121 Ba 0.11895716516765 0.43894107004553 0.49683835521106 137.327 > 121 122 Ba 0.61895716516765 0.43894107004553 0.49683835521106 137.327 > 121 123 Ba 0.11895716516765 0.43894107004553 0.99683835521106 137.327 > 121 124 Ba 0.61895716516765 0.43894107004553 0.99683835521106 137.327 > 121 125 Ba 0.38104283483235 0.93894107004553 0.25316164478894 137.327 > 125 126 Ba 0.88104283483235 0.93894107004553 0.25316164478894 137.327 > 125 127 Ba 0.38104283483235 0.93894107004553 0.75316164478894 137.327 > 125 128 Ba 0.88104283483235 0.93894107004553 0.75316164478894 137.327 > 125 129 Ba 0.12068069889655 0.56426089599497 0.24388132624079 137.327 > 129 130 Ba 0.62068069889655 0.56426089599497 0.24388132624079 137.327 > 129 131 Ba 0.12068069889655 0.56426089599497 0.74388132624079 137.327 > 129 132 Ba 0.62068069889655 0.56426089599497 0.74388132624079 137.327 > 129 133 Ba 0.37931930110345 0.06426089599497 0.00611867375921 137.327 > 133 134 Ba 0.87931930110345 0.06426089599497 0.00611867375921 137.327 > 133 135 Ba 0.37931930110345 0.06426089599497 0.50611867375921 137.327 > 133 136 Ba 0.87931930110345 0.06426089599497 0.50611867375921 137.327 > 133 137 Ba 0.37931930110345 0.43573910400503 0.25611867375921 137.327 > 137 138 Ba 0.87931930110345 0.43573910400503 0.25611867375921 137.327 > 137 139 Ba 0.37931930110345 0.43573910400503 0.75611867375921 137.327 > 137 140 Ba 0.87931930110345 0.43573910400503 0.75611867375921 137.327 > 137 141 Ba 0.12068069889655 0.93573910400503 0.49388132624079 137.327 > 141 142 Ba 0.62068069889655 0.93573910400503 0.49388132624079 137.327 > 141 143 Ba 0.12068069889655 0.93573910400503 0.99388132624079 137.327 > 141 144 Ba 0.62068069889655 0.93573910400503 0.99388132624079 137.327 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.2223739 0.0000000 0.6157625 0.0000000 12.8650204 0.0000000 0.6161077 0.0000000 14.8969989 -------------------------- Born effective charges -------------------------- 1 As -3.2312264 0.3450036 -0.6139226 0.0891365 -3.6800215 0.3023685 -0.7997383 0.5303637 -3.4310925 2 As -3.2312264 -0.3450036 -0.6139226 -0.0891365 -3.6800215 -0.3023685 -0.7997383 -0.5303637 -3.4310925 3 As -3.2312264 0.3450036 -0.6139226 0.0891365 -3.6800215 0.3023685 -0.7997383 0.5303637 -3.4310925 4 As -3.2312264 -0.3450036 -0.6139226 -0.0891365 -3.6800215 -0.3023685 -0.7997383 -0.5303637 -3.4310925 5 As -2.8434102 -0.3622134 -0.6469147 -0.3226102 -3.6427250 -0.4961692 -0.7516932 -0.5094283 -3.9008844 6 As -2.8434102 0.3622134 -0.6469147 0.3226102 -3.6427250 0.4961692 -0.7516932 0.5094283 -3.9008844 7 As -2.8434102 -0.3622134 -0.6469147 -0.3226102 -3.6427250 -0.4961692 -0.7516932 -0.5094283 -3.9008844 8 As -2.8434102 0.3622134 -0.6469147 0.3226102 -3.6427250 0.4961692 -0.7516932 0.5094283 -3.9008844 9 As -3.2364957 -0.0071727 0.4120373 0.0662618 -3.0068815 0.4677405 0.1208151 0.6734630 -3.0790293 10 As -3.2364957 0.0071727 0.4120373 -0.0662618 -3.0068815 -0.4677405 0.1208151 -0.6734630 -3.0790293 11 As -3.2364957 -0.0071727 0.4120373 0.0662618 -3.0068815 0.4677405 0.1208151 0.6734630 -3.0790293 12 As -3.2364957 0.0071727 0.4120373 -0.0662618 -3.0068815 -0.4677405 0.1208151 -0.6734630 -3.0790293 13 As -2.6966928 -0.4019048 0.2742324 -0.2641301 -2.4255453 -0.3214781 0.7331435 -0.1642091 -3.4455454 14 As -2.6966928 0.4019048 0.2742324 0.2641301 -2.4255453 0.3214781 0.7331435 0.1642091 -3.4455454 15 As -2.6966928 -0.4019048 0.2742324 -0.2641301 -2.4255453 -0.3214781 0.7331435 -0.1642091 -3.4455454 16 As -2.6966928 0.4019048 0.2742324 0.2641301 -2.4255453 0.3214781 0.7331435 0.1642091 -3.4455454 17 Sn 1.8078804 0.0079132 0.4704602 -0.1813983 2.5424933 0.4140595 0.1394139 0.0280030 2.4203477 18 Sn 1.8078804 -0.0079132 0.4704602 0.1813983 2.5424933 -0.4140595 0.1394139 -0.0280030 2.4203477 19 Sn 1.8078804 0.0079132 0.4704602 -0.1813983 2.5424933 0.4140595 0.1394139 0.0280030 2.4203477 20 Sn 1.8078804 -0.0079132 0.4704602 0.1813983 2.5424933 -0.4140595 0.1394139 -0.0280030 2.4203477 21 Sn 1.1951316 -0.2397625 -0.4313802 -0.3470127 1.3685164 -0.3926872 -0.2130286 -0.0107609 2.7360029 22 Sn 1.1951316 0.2397625 -0.4313802 0.3470127 1.3685164 0.3926872 -0.2130286 0.0107609 2.7360029 23 Sn 1.1951316 -0.2397625 -0.4313802 -0.3470127 1.3685164 -0.3926872 -0.2130286 -0.0107609 2.7360029 24 Sn 1.1951316 0.2397625 -0.4313802 0.3470127 1.3685164 0.3926872 -0.2130286 0.0107609 2.7360029 25 Ba 3.7083117 0.1371320 0.1789943 -0.2640898 2.2360835 0.2517549 0.2816338 -0.2583359 2.9851201 26 Ba 3.7083117 -0.1371320 0.1789943 0.2640898 2.2360835 -0.2517549 0.2816338 0.2583359 2.9851201 27 Ba 3.7083117 0.1371320 0.1789943 -0.2640898 2.2360835 0.2517549 0.2816338 -0.2583359 2.9851201 28 Ba 3.7083117 -0.1371320 0.1789943 0.2640898 2.2360835 -0.2517549 0.2816338 0.2583359 2.9851201 29 Ba 2.2198051 -0.0679521 0.1563683 0.2984671 3.3252464 -0.1957580 0.0426486 -0.1014467 3.4226992 30 Ba 2.2198051 0.0679521 0.1563683 -0.2984671 3.3252464 0.1957580 0.0426486 0.1014467 3.4226992 31 Ba 2.2198051 -0.0679521 0.1563683 0.2984671 3.3252464 -0.1957580 0.0426486 -0.1014467 3.4226992 32 Ba 2.2198051 0.0679521 0.1563683 -0.2984671 3.3252464 0.1957580 0.0426486 0.1014467 3.4226992 33 Ba 3.0766963 0.1123281 0.2001249 0.1294912 3.2828336 0.0796048 0.4468052 -0.2682886 2.2923817 34 Ba 3.0766963 -0.1123281 0.2001249 -0.1294912 3.2828336 -0.0796048 0.4468052 0.2682886 2.2923817 35 Ba 3.0766963 0.1123281 0.2001249 0.1294912 3.2828336 0.0796048 0.4468052 -0.2682886 2.2923817 36 Ba 3.0766963 -0.1123281 0.2001249 -0.1294912 3.2828336 -0.0796048 0.4468052 0.2682886 2.2923817 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 3 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.39, Number of G-points: 295, Lambda: 0.15 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.827 ( 0.000 0.000 0.000) 0.000 0.859 ( 0.000 0.000 0.000) 0.000 1.195 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.465 ( 0.000 0.000 0.000) 0.000 1.490 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.669 ( 0.000 0.000 0.000) 0.000 1.670 ( 0.000 0.000 0.000) 0.000 1.717 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.790 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.856 ( 0.000 0.000 0.000) 0.000 1.885 ( 0.000 0.000 0.000) 0.000 1.903 ( 0.000 0.000 0.000) 0.000 1.975 ( 0.000 0.000 0.000) 0.000 1.980 ( 0.000 0.000 0.000) 0.000 1.993 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.026 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.121 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.181 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.229 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.297 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.356 ( 0.000 0.000 0.000) 0.000 2.357 ( 0.000 0.000 0.000) 0.000 2.388 ( 0.000 0.000 0.000) 0.000 2.426 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.586 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.766 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.805 ( 0.000 0.000 0.000) 0.000 2.888 ( 0.000 0.000 0.000) 0.000 2.896 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.983 ( 0.000 0.000 0.000) 0.000 3.081 ( 0.000 0.000 0.000) 0.000 3.084 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.204 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.397 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.473 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.538 ( 0.000 0.000 0.000) 0.000 3.546 ( 0.000 0.000 0.000) 0.000 3.622 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.666 ( 0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 3.697 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 3.915 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.983 ( 0.000 0.000 0.000) 0.000 3.994 ( 0.000 0.000 0.000) 0.000 4.242 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.588 ( 0.000 0.000 0.000) 0.000 4.733 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.985 ( 0.000 0.000 0.000) 0.000 5.033 ( 0.000 0.000 0.000) 0.000 5.037 ( 0.000 0.000 0.000) 0.000 5.446 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.522 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.675 ( 0.000 0.000 0.000) 0.000 5.791 ( 0.000 0.000 0.000) 0.000 5.930 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.171 ( 0.000 0.000 0.000) 0.000 6.175 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.279 ( 0.000 0.000 0.000) 0.000 6.368 ( 0.000 0.000 0.000) 0.000 6.381 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.440 ( 17.788 0.000 16.021) 23.940 0.443 ( 24.931 0.000 -1.514) 24.977 0.628 ( 27.258 0.000 16.595) 31.913 0.901 ( 9.381 0.000 -4.188) 10.274 0.950 ( 11.269 0.000 -5.959) 12.747 1.125 ( -0.529 0.000 -8.035) 8.053 1.148 ( -4.997 0.000 -10.427) 11.563 1.445 ( 2.815 0.000 3.126) 4.207 1.515 ( 2.055 0.000 0.138) 2.059 1.552 ( 3.948 0.000 5.293) 6.603 1.558 ( 3.249 0.000 -1.722) 3.677 1.650 ( -7.155 0.000 -0.513) 7.174 1.662 ( -0.618 0.000 4.281) 4.325 1.729 ( 1.230 0.000 2.320) 2.626 1.743 ( -1.976 0.000 0.879) 2.162 1.766 ( -3.000 0.000 1.762) 3.479 1.865 ( 1.472 0.000 -1.226) 1.916 1.884 ( 0.036 0.000 1.429) 1.430 1.910 ( 0.186 0.000 0.462) 0.498 1.927 ( -3.098 0.000 1.984) 3.679 1.930 ( 4.663 0.000 3.414) 5.779 1.954 ( -1.813 0.000 1.913) 2.636 2.002 ( -0.529 0.000 -5.525) 5.550 2.011 ( 0.915 0.000 -0.181) 0.933 2.026 ( -0.259 0.000 -1.754) 1.773 2.068 ( -2.557 0.000 -2.586) 3.637 2.080 ( 4.794 0.000 1.075) 4.914 2.081 ( 0.347 0.000 -3.569) 3.585 2.111 ( 0.577 0.000 -2.426) 2.493 2.142 ( -1.140 0.000 0.258) 1.168 2.187 ( -2.938 0.000 -3.012) 4.208 2.213 ( 1.520 0.000 0.731) 1.687 2.227 ( 0.244 0.000 0.278) 0.370 2.246 ( 0.084 0.000 -1.366) 1.369 2.270 ( 0.996 0.000 -0.546) 1.136 2.289 ( -1.603 0.000 0.186) 1.613 2.304 ( 0.958 0.000 -0.709) 1.192 2.311 ( 1.593 0.000 -1.625) 2.275 2.350 ( -0.020 0.000 0.664) 0.665 2.387 ( -5.394 0.000 3.610) 6.491 2.432 ( 1.106 0.000 2.913) 3.116 2.462 ( 1.179 0.000 3.828) 4.005 2.472 ( -0.529 0.000 4.629) 4.659 2.590 ( 0.567 0.000 0.462) 0.731 2.718 ( -2.693 0.000 2.751) 3.849 2.773 ( 3.099 0.000 -0.931) 3.236 2.793 ( -2.517 0.000 3.018) 3.930 2.828 ( 2.205 0.000 3.822) 4.412 2.893 ( -1.087 0.000 4.132) 4.273 2.927 ( -3.934 0.000 2.445) 4.632 2.943 ( -2.077 0.000 8.244) 8.501 2.968 ( 1.144 0.000 0.555) 1.271 3.072 ( -1.233 0.000 -1.296) 1.789 3.088 ( -0.240 0.000 1.038) 1.066 3.139 ( -1.777 0.000 3.285) 3.735 3.139 ( 1.069 0.000 3.249) 3.420 3.187 ( -1.342 0.000 2.381) 2.733 3.208 ( -0.260 0.000 1.054) 1.086 3.383 ( -0.888 0.000 -1.183) 1.479 3.406 ( -5.510 0.000 5.798) 7.999 3.457 ( -1.369 0.000 -0.447) 1.440 3.480 ( 4.532 0.000 -2.689) 5.270 3.492 ( 2.009 0.000 -0.662) 2.115 3.530 ( 1.965 0.000 -2.637) 3.288 3.537 ( 0.858 0.000 0.106) 0.865 3.551 ( -3.631 0.000 0.105) 3.633 3.576 ( 2.552 0.000 -1.182) 2.813 3.591 ( -2.703 0.000 1.254) 2.980 3.640 ( -2.051 0.000 0.406) 2.090 3.648 ( -0.569 0.000 -0.151) 0.588 3.694 ( 0.717 0.000 0.247) 0.758 3.729 ( 1.339 0.000 -0.822) 1.571 3.741 ( 1.627 0.000 -1.087) 1.957 3.872 ( -3.540 0.000 0.119) 3.542 3.889 ( -2.719 0.000 1.055) 2.917 3.945 ( -0.076 0.000 0.177) 0.192 3.976 ( -1.355 0.000 -1.637) 2.125 3.995 ( 2.583 0.000 -5.261) 5.861 4.049 ( 3.236 0.000 -18.311) 18.595 4.157 ( -6.288 0.000 -4.951) 8.003 4.561 ( 1.581 0.000 -0.093) 1.584 4.596 ( 0.986 0.000 -0.760) 1.245 4.733 ( 0.138 0.000 -0.615) 0.631 4.766 ( -0.721 0.000 -0.970) 1.208 4.974 ( 0.412 0.000 -1.829) 1.875 4.997 ( 1.173 0.000 -1.565) 1.956 5.032 ( -0.002 0.000 -0.397) 0.397 5.035 ( -0.061 0.000 -0.068) 0.091 5.449 ( 0.166 0.000 0.158) 0.229 5.453 ( -1.523 0.000 -0.985) 1.814 5.470 ( -0.153 0.000 -0.637) 0.655 5.479 ( -1.068 0.000 -1.662) 1.976 5.520 ( -0.628 0.000 1.283) 1.429 5.537 ( -2.037 0.000 3.031) 3.652 5.625 ( 0.101 0.000 0.195) 0.220 5.676 ( -0.198 0.000 0.494) 0.532 5.783 ( -0.624 0.000 -0.345) 0.713 5.864 ( -3.392 0.000 -3.958) 5.212 6.013 ( 2.510 0.000 0.431) 2.547 6.043 ( 1.155 0.000 -0.155) 1.165 6.151 ( 0.507 0.000 -0.598) 0.784 6.164 ( -0.429 0.000 -0.391) 0.581 6.207 ( 1.264 0.000 -0.311) 1.301 6.228 ( 0.667 0.000 -2.845) 2.922 6.328 ( 2.204 0.000 4.392) 4.914 6.384 ( 1.341 0.000 1.489) 2.003 6.422 ( 2.522 0.000 4.070) 4.788 6.630 ( -5.698 0.000 13.371) 14.535 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 21.959 0.000 -1.909) 22.042 0.856 ( 16.088 0.000 14.916) 21.939 0.986 ( 2.445 0.000 -5.276) 5.815 1.051 ( 4.366 0.000 -3.179) 5.401 1.113 ( 13.354 0.000 -7.236) 15.189 1.193 ( 18.807 0.000 11.243) 21.911 1.214 ( 16.843 0.000 -10.132) 19.656 1.486 ( -8.366 0.000 -0.646) 8.391 1.531 ( 0.319 0.000 -0.136) 0.347 1.539 ( 2.870 0.000 6.528) 7.131 1.607 ( 3.713 0.000 -1.807) 4.130 1.627 ( -4.656 0.000 -3.884) 6.063 1.648 ( -0.360 0.000 0.611) 0.709 1.701 ( -3.371 0.000 0.642) 3.432 1.712 ( -0.642 0.000 4.045) 4.096 1.751 ( -0.635 0.000 4.260) 4.307 1.825 ( -3.942 0.000 -3.034) 4.975 1.847 ( -2.364 0.000 -3.992) 4.639 1.857 ( -5.384 0.000 -2.795) 6.066 1.896 ( -1.906 0.000 4.043) 4.469 1.923 ( -0.516 0.000 2.955) 2.999 1.932 ( -2.317 0.000 -7.827) 8.163 2.001 ( 1.371 0.000 1.294) 1.885 2.007 ( 1.526 0.000 -2.444) 2.881 2.054 ( -1.085 0.000 -1.734) 2.045 2.080 ( 0.573 0.000 -5.248) 5.279 2.090 ( -0.577 0.000 1.633) 1.732 2.105 ( -1.606 0.000 -2.935) 3.346 2.122 ( 1.303 0.000 2.531) 2.847 2.170 ( -1.811 0.000 2.655) 3.214 2.173 ( 4.444 0.000 0.831) 4.521 2.216 ( 4.156 0.000 2.113) 4.663 2.221 ( 0.141 0.000 -2.239) 2.243 2.248 ( 1.919 0.000 -0.278) 1.939 2.259 ( 2.320 0.000 0.478) 2.369 2.301 ( -5.015 0.000 3.430) 6.076 2.331 ( 1.791 0.000 3.034) 3.523 2.341 ( 1.374 0.000 3.504) 3.764 2.353 ( 0.708 0.000 -2.189) 2.301 2.403 ( 6.431 0.000 3.002) 7.097 2.453 ( -1.025 0.000 2.490) 2.693 2.477 ( -3.217 0.000 5.202) 6.116 2.490 ( -2.531 0.000 9.623) 9.950 2.634 ( 4.618 0.000 -1.466) 4.845 2.689 ( -2.631 0.000 3.890) 4.696 2.780 ( -0.664 0.000 1.620) 1.751 2.806 ( -3.634 0.000 1.302) 3.860 2.861 ( -3.342 0.000 6.848) 7.620 2.882 ( -0.645 0.000 -1.558) 1.686 2.902 ( -2.691 0.000 7.215) 7.701 2.926 ( -0.973 0.000 1.201) 1.546 3.006 ( -2.630 0.000 3.923) 4.723 3.045 ( -1.883 0.000 -1.068) 2.165 3.061 ( 0.435 0.000 3.497) 3.524 3.129 ( -1.235 0.000 0.979) 1.576 3.154 ( -1.351 0.000 0.682) 1.514 3.217 ( 0.940 0.000 3.736) 3.852 3.225 ( 0.749 0.000 1.809) 1.958 3.341 ( -2.297 0.000 -2.554) 3.435 3.348 ( -2.685 0.000 -0.151) 2.689 3.423 ( -2.213 0.000 -1.179) 2.507 3.445 ( -3.482 0.000 -0.775) 3.567 3.493 ( -1.385 0.000 1.319) 1.912 3.523 ( 0.574 0.000 -1.903) 1.988 3.538 ( -0.053 0.000 -1.665) 1.666 3.584 ( 2.153 0.000 -2.183) 3.066 3.590 ( 3.172 0.000 -1.237) 3.404 3.612 ( 0.080 0.000 0.277) 0.288 3.632 ( 1.417 0.000 1.059) 1.769 3.642 ( 1.023 0.000 -0.250) 1.053 3.708 ( 1.080 0.000 -0.224) 1.103 3.753 ( 2.387 0.000 -1.745) 2.957 3.771 ( 3.083 0.000 -1.792) 3.566 3.813 ( -5.801 0.000 -0.362) 5.812 3.817 ( -1.665 0.000 -1.469) 2.221 3.925 ( -2.464 0.000 -2.540) 3.539 3.942 ( -0.263 0.000 -0.552) 0.611 3.952 ( -1.677 0.000 -8.060) 8.232 3.983 ( -0.313 0.000 -3.738) 3.751 4.026 ( -3.660 0.000 -5.785) 6.846 4.590 ( 1.427 0.000 -0.045) 1.428 4.612 ( 1.189 0.000 -0.168) 1.201 4.728 ( -0.225 0.000 -0.558) 0.602 4.745 ( -0.616 0.000 -1.028) 1.198 4.975 ( 0.681 0.000 -0.894) 1.124 5.002 ( 0.430 0.000 -0.899) 0.996 5.026 ( -0.376 0.000 -0.336) 0.504 5.036 ( 0.125 0.000 -0.080) 0.149 5.415 ( -1.753 0.000 -0.817) 1.934 5.440 ( -2.104 0.000 -0.604) 2.189 5.451 ( -0.076 0.000 -0.172) 0.188 5.460 ( -0.082 0.000 -1.193) 1.196 5.518 ( -0.612 0.000 1.225) 1.369 5.525 ( -0.933 0.000 1.222) 1.538 5.630 ( 0.032 0.000 0.398) 0.399 5.667 ( -1.124 0.000 -0.041) 1.125 5.772 ( -0.124 0.000 -0.160) 0.202 5.805 ( -1.119 0.000 -1.107) 1.574 6.057 ( 1.731 0.000 0.253) 1.750 6.066 ( 1.163 0.000 0.436) 1.242 6.149 ( -0.211 0.000 -0.666) 0.699 6.155 ( -0.153 0.000 -0.384) 0.413 6.219 ( 0.137 0.000 -0.122) 0.184 6.223 ( 0.996 0.000 -1.933) 2.174 6.391 ( 1.813 0.000 2.836) 3.366 6.436 ( 2.728 0.000 1.935) 3.344 6.497 ( 1.868 0.000 4.245) 4.638 6.620 ( -3.108 0.000 5.399) 6.230 ======================= Grid point 3 (4/50) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.030 ( 5.759 0.000 -1.972) 6.087 1.148 ( 7.521 0.000 -1.188) 7.614 1.154 ( 7.833 0.000 1.025) 7.900 1.194 ( 8.489 0.000 9.661) 12.861 1.278 ( 7.399 0.000 -5.857) 9.437 1.323 ( 1.934 0.000 -0.802) 2.094 1.413 ( 5.326 0.000 -5.733) 7.825 1.447 ( -0.709 0.000 -2.507) 2.605 1.480 ( -0.735 0.000 6.619) 6.659 1.546 ( -5.279 0.000 3.307) 6.229 1.552 ( 0.160 0.000 -1.203) 1.214 1.605 ( -7.092 0.000 -7.517) 10.335 1.642 ( -2.494 0.000 -0.916) 2.657 1.690 ( 0.785 0.000 3.357) 3.447 1.694 ( 3.038 0.000 3.579) 4.694 1.726 ( -4.312 0.000 0.956) 4.416 1.797 ( -1.350 0.000 -3.887) 4.115 1.799 ( 1.386 0.000 -2.448) 2.813 1.843 ( -0.213 0.000 -5.532) 5.536 1.880 ( -6.777 0.000 0.714) 6.815 1.900 ( 13.337 0.000 3.906) 13.897 1.944 ( 0.848 0.000 3.573) 3.673 2.001 ( -0.773 0.000 3.871) 3.948 2.034 ( 1.818 0.000 -2.275) 2.913 2.037 ( 1.421 0.000 -3.387) 3.673 2.060 ( -2.229 0.000 1.949) 2.961 2.064 ( 0.383 0.000 0.990) 1.061 2.078 ( -0.473 0.000 -0.807) 0.935 2.113 ( -3.852 0.000 1.953) 4.319 2.151 ( 0.715 0.000 -2.872) 2.960 2.172 ( 0.974 0.000 -0.772) 1.242 2.230 ( -2.530 0.000 3.280) 4.143 2.235 ( -2.538 0.000 2.869) 3.830 2.256 ( 1.240 0.000 0.153) 1.250 2.300 ( 2.585 0.000 -4.382) 5.087 2.325 ( 2.143 0.000 0.778) 2.280 2.366 ( -2.343 0.000 0.531) 2.402 2.373 ( 1.706 0.000 -1.854) 2.520 2.428 ( -1.251 0.000 4.014) 4.204 2.428 ( -4.497 0.000 1.547) 4.756 2.440 ( 1.838 0.000 0.161) 1.845 2.508 ( -1.749 0.000 0.052) 1.750 2.581 ( 6.625 0.000 9.389) 11.491 2.621 ( -0.575 0.000 3.801) 3.845 2.710 ( 3.924 0.000 -1.486) 4.196 2.758 ( -2.626 0.000 -1.245) 2.906 2.794 ( 1.591 0.000 5.273) 5.508 2.846 ( -4.521 0.000 -2.118) 4.993 2.851 ( -1.997 0.000 2.471) 3.177 2.891 ( -3.109 0.000 -0.174) 3.114 2.922 ( -0.787 0.000 -3.061) 3.161 2.939 ( 1.448 0.000 2.026) 2.490 3.059 ( -2.957 0.000 4.753) 5.598 3.063 ( -2.516 0.000 1.424) 2.891 3.099 ( -0.344 0.000 -4.810) 4.822 3.125 ( 1.071 0.000 -0.445) 1.160 3.249 ( 0.183 0.000 1.442) 1.454 3.265 ( 1.691 0.000 2.611) 3.110 3.291 ( -0.776 0.000 -1.437) 1.634 3.325 ( -0.312 0.000 0.267) 0.411 3.374 ( -1.645 0.000 -0.910) 1.880 3.419 ( -0.486 0.000 0.711) 0.861 3.460 ( -2.075 0.000 0.179) 2.082 3.517 ( -0.257 0.000 -1.611) 1.632 3.536 ( 0.897 0.000 -0.350) 0.963 3.570 ( -1.196 0.000 -0.660) 1.366 3.597 ( -0.631 0.000 -0.235) 0.673 3.619 ( 0.993 0.000 -1.081) 1.468 3.659 ( 0.290 0.000 0.342) 0.448 3.687 ( 2.442 0.000 -0.359) 2.468 3.717 ( -2.009 0.000 -0.342) 2.037 3.727 ( 0.850 0.000 -0.382) 0.932 3.795 ( -0.213 0.000 -0.470) 0.516 3.812 ( 3.664 0.000 0.071) 3.664 3.833 ( 4.313 0.000 -0.009) 4.313 3.869 ( -1.895 0.000 -1.040) 2.162 3.888 ( -1.736 0.000 -3.020) 3.484 3.913 ( -2.570 0.000 -1.897) 3.194 3.934 ( -2.655 0.000 -2.384) 3.568 3.951 ( -0.679 0.000 -0.344) 0.761 4.605 ( 0.391 0.000 -0.038) 0.393 4.631 ( 0.714 0.000 -0.010) 0.714 4.719 ( -0.247 0.000 -0.192) 0.312 4.733 ( -0.139 0.000 -0.379) 0.403 4.983 ( 0.511 0.000 -0.153) 0.533 4.999 ( -0.140 0.000 -0.463) 0.484 5.017 ( -0.247 0.000 -0.138) 0.283 5.037 ( 0.074 0.000 -0.013) 0.075 5.388 ( -0.651 0.000 -0.316) 0.723 5.407 ( -1.090 0.000 -0.087) 1.093 5.446 ( -0.142 0.000 -0.232) 0.272 5.453 ( 0.023 0.000 -0.533) 0.533 5.517 ( -0.291 0.000 0.523) 0.599 5.521 ( -0.213 0.000 0.263) 0.338 5.631 ( -0.081 0.000 0.116) 0.141 5.647 ( -0.620 0.000 -0.193) 0.650 5.779 ( 0.574 0.000 0.348) 0.672 5.791 ( -0.447 0.000 -0.127) 0.465 6.077 ( 0.490 0.000 0.230) 0.542 6.084 ( 0.458 0.000 -0.026) 0.459 6.141 ( -0.161 0.000 -0.248) 0.296 6.151 ( -0.058 0.000 -0.173) 0.182 6.222 ( 0.141 0.000 0.224) 0.264 6.226 ( 0.359 0.000 -0.843) 0.916 6.429 ( 0.722 0.000 1.017) 1.247 6.491 ( 1.821 0.000 0.769) 1.977 6.540 ( 0.553 0.000 1.567) 1.662 6.600 ( -1.659 0.000 1.625) 2.322 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.297 ( 0.000 17.345 0.000) 17.345 0.451 ( 0.000 26.047 0.000) 26.047 0.573 ( 0.000 -0.488 0.000) 0.488 0.601 ( 0.000 18.606 0.000) 18.606 0.870 ( 0.000 -23.170 0.000) 23.170 1.086 ( 0.000 13.789 0.000) 13.789 1.145 ( 0.000 -30.047 0.000) 30.047 1.312 ( 0.000 -12.725 0.000) 12.725 1.455 ( 0.000 8.659 0.000) 8.659 1.527 ( 0.000 1.996 0.000) 1.996 1.552 ( 0.000 9.766 0.000) 9.766 1.648 ( 0.000 1.852 0.000) 1.852 1.648 ( 0.000 -9.462 0.000) 9.462 1.727 ( 0.000 2.484 0.000) 2.484 1.773 ( 0.000 -1.814 0.000) 1.814 1.785 ( 0.000 6.007 0.000) 6.007 1.824 ( 0.000 -8.770 0.000) 8.770 1.848 ( 0.000 -0.071 0.000) 0.071 1.859 ( 0.000 1.064 0.000) 1.064 1.927 ( 0.000 -5.676 0.000) 5.676 1.988 ( 0.000 2.763 0.000) 2.763 2.005 ( 0.000 2.893 0.000) 2.893 2.006 ( 0.000 3.440 0.000) 3.440 2.037 ( 0.000 -0.602 0.000) 0.602 2.046 ( 0.000 -3.366 0.000) 3.366 2.052 ( 0.000 1.874 0.000) 1.874 2.067 ( 0.000 0.487 0.000) 0.487 2.092 ( 0.000 -0.714 0.000) 0.714 2.114 ( 0.000 -0.340 0.000) 0.340 2.145 ( 0.000 0.585 0.000) 0.585 2.217 ( 0.000 2.059 0.000) 2.059 2.235 ( 0.000 0.576 0.000) 0.576 2.237 ( 0.000 0.276 0.000) 0.276 2.272 ( 0.000 -1.821 0.000) 1.821 2.296 ( 0.000 -0.236 0.000) 0.236 2.300 ( 0.000 1.160 0.000) 1.160 2.313 ( 0.000 3.086 0.000) 3.086 2.317 ( 0.000 -0.621 0.000) 0.621 2.348 ( 0.000 6.060 0.000) 6.060 2.387 ( 0.000 2.750 0.000) 2.750 2.414 ( 0.000 -1.542 0.000) 1.542 2.426 ( 0.000 -0.939 0.000) 0.939 2.439 ( 0.000 5.360 0.000) 5.360 2.565 ( 0.000 -3.958 0.000) 3.958 2.667 ( 0.000 2.657 0.000) 2.657 2.723 ( 0.000 -1.675 0.000) 1.675 2.727 ( 0.000 -4.133 0.000) 4.133 2.791 ( 0.000 -10.107 0.000) 10.107 2.890 ( 0.000 6.519 0.000) 6.519 2.921 ( 0.000 2.805 0.000) 2.805 2.957 ( 0.000 -2.145 0.000) 2.145 3.022 ( 0.000 -7.825 0.000) 7.825 3.036 ( 0.000 4.491 0.000) 4.491 3.108 ( 0.000 -4.809 0.000) 4.809 3.108 ( 0.000 1.770 0.000) 1.770 3.132 ( 0.000 0.957 0.000) 0.957 3.265 ( 0.000 3.410 0.000) 3.410 3.314 ( 0.000 -2.623 0.000) 2.623 3.320 ( 0.000 5.753 0.000) 5.753 3.386 ( 0.000 -1.908 0.000) 1.908 3.445 ( 0.000 1.403 0.000) 1.403 3.473 ( 0.000 -1.443 0.000) 1.443 3.484 ( 0.000 1.160 0.000) 1.160 3.514 ( 0.000 0.501 0.000) 0.501 3.520 ( 0.000 -2.001 0.000) 2.001 3.522 ( 0.000 -0.291 0.000) 0.291 3.597 ( 0.000 2.214 0.000) 2.214 3.628 ( 0.000 -1.389 0.000) 1.389 3.633 ( 0.000 -0.081 0.000) 0.081 3.652 ( 0.000 -2.042 0.000) 2.042 3.705 ( 0.000 2.426 0.000) 2.426 3.721 ( 0.000 0.733 0.000) 0.733 3.895 ( 0.000 -0.835 0.000) 0.835 3.897 ( 0.000 -0.829 0.000) 0.829 3.932 ( 0.000 0.754 0.000) 0.754 3.939 ( 0.000 -0.112 0.000) 0.112 3.982 ( 0.000 0.023 0.000) 0.023 3.987 ( 0.000 -0.564 0.000) 0.564 4.247 ( 0.000 0.520 0.000) 0.520 4.255 ( 0.000 -0.351 0.000) 0.351 4.556 ( 0.000 1.169 0.000) 1.169 4.578 ( 0.000 -1.136 0.000) 1.136 4.771 ( 0.000 0.300 0.000) 0.300 4.775 ( 0.000 -0.208 0.000) 0.208 4.974 ( 0.000 0.378 0.000) 0.378 4.981 ( 0.000 -0.366 0.000) 0.366 5.035 ( 0.000 0.048 0.000) 0.048 5.036 ( 0.000 -0.088 0.000) 0.088 5.469 ( 0.000 -0.117 0.000) 0.117 5.471 ( 0.000 -0.216 0.000) 0.216 5.496 ( 0.000 0.337 0.000) 0.337 5.497 ( 0.000 0.159 0.000) 0.159 5.524 ( 0.000 0.349 0.000) 0.349 5.533 ( 0.000 -0.586 0.000) 0.586 5.681 ( 0.000 0.579 0.000) 0.579 5.691 ( 0.000 -0.540 0.000) 0.540 5.928 ( 0.000 0.035 0.000) 0.035 5.929 ( 0.000 -0.075 0.000) 0.075 5.987 ( 0.000 0.340 0.000) 0.340 5.993 ( 0.000 -0.327 0.000) 0.327 6.161 ( 0.000 0.155 0.000) 0.155 6.165 ( 0.000 -0.329 0.000) 0.329 6.182 ( 0.000 0.520 0.000) 0.520 6.190 ( 0.000 -0.352 0.000) 0.352 6.289 ( 0.000 1.143 0.000) 1.143 6.312 ( 0.000 -1.335 0.000) 1.335 6.373 ( 0.000 0.447 0.000) 0.447 6.379 ( 0.000 -0.215 0.000) 0.215 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 9.565 12.264 2.871) 15.816 0.549 ( 23.889 8.630 -7.198) 26.400 0.704 ( 9.281 -14.654 -4.420) 17.900 0.764 ( 5.747 -19.944 -10.119) 23.091 0.956 ( 17.703 25.472 18.384) 36.059 1.137 ( 7.398 11.888 -4.840) 14.815 1.315 ( 2.383 -7.050 -4.027) 8.461 1.380 ( 11.238 -21.578 13.436) 27.792 1.468 ( 1.072 5.079 0.903) 5.269 1.528 ( -0.361 9.325 -3.421) 9.939 1.570 ( 0.860 -1.543 2.706) 3.231 1.613 ( -0.494 0.229 2.730) 2.784 1.670 ( -2.345 -2.110 -0.627) 3.216 1.700 ( -3.362 0.443 2.947) 4.493 1.724 ( -1.962 -3.662 1.618) 4.459 1.763 ( -0.142 5.213 -2.314) 5.705 1.811 ( -0.943 -8.695 -2.809) 9.186 1.853 ( -0.774 -3.327 1.120) 3.595 1.875 ( 1.496 1.432 -0.539) 2.140 1.919 ( -3.441 2.594 -3.568) 5.594 1.932 ( -1.226 -3.070 -1.475) 3.620 1.970 ( -1.553 -0.970 -1.991) 2.705 1.990 ( -2.160 -0.592 -2.805) 3.590 2.013 ( -1.758 -0.764 -0.416) 1.962 2.031 ( 0.278 0.639 -1.564) 1.712 2.057 ( 1.624 0.707 1.552) 2.356 2.068 ( -0.476 0.461 0.271) 0.716 2.110 ( -0.848 -2.036 0.420) 2.246 2.144 ( 1.788 2.978 -0.261) 3.483 2.173 ( 3.415 -0.327 0.591) 3.482 2.185 ( -1.312 1.068 -4.453) 4.763 2.210 ( -0.450 -1.755 -0.151) 1.818 2.249 ( -1.097 1.662 -1.234) 2.343 2.265 ( -0.854 0.620 -1.038) 1.480 2.284 ( 0.356 1.471 -1.235) 1.953 2.304 ( 0.707 2.745 -0.279) 2.849 2.317 ( -0.672 0.355 -0.575) 0.953 2.327 ( 1.668 -2.332 0.750) 2.963 2.382 ( 2.978 7.837 1.353) 8.492 2.394 ( -3.226 1.361 3.417) 4.892 2.413 ( -0.137 -0.237 3.061) 3.073 2.463 ( 1.120 -0.771 4.455) 4.658 2.486 ( 1.096 3.279 4.168) 5.416 2.582 ( 1.475 -2.513 1.665) 3.356 2.706 ( -1.474 -0.080 1.854) 2.370 2.724 ( 1.895 -2.071 3.652) 4.606 2.756 ( 1.350 -3.285 4.155) 5.466 2.789 ( 0.327 -6.772 2.036) 7.079 2.889 ( -2.917 3.503 6.192) 7.689 2.924 ( -2.707 -0.082 4.786) 5.499 2.973 ( -0.603 -0.104 4.604) 4.644 3.002 ( -1.207 2.941 1.556) 3.540 3.037 ( -2.223 -2.231 3.603) 4.786 3.087 ( -0.285 1.142 1.306) 1.758 3.104 ( -0.936 -1.867 -1.486) 2.563 3.128 ( 0.117 -2.660 1.238) 2.936 3.259 ( -1.439 5.273 2.222) 5.900 3.292 ( -2.015 6.053 0.589) 6.407 3.337 ( -1.648 -3.240 1.861) 4.084 3.383 ( -0.869 -2.941 2.041) 3.684 3.462 ( -1.109 1.426 -0.631) 1.913 3.488 ( 1.314 -0.668 -0.681) 1.623 3.503 ( 2.495 -0.643 -1.530) 2.996 3.507 ( 2.279 -0.388 -1.347) 2.676 3.530 ( 1.909 0.280 -1.934) 2.732 3.546 ( -1.508 -0.989 -3.184) 3.659 3.581 ( 0.579 1.450 -0.313) 1.593 3.602 ( 1.319 -0.026 -0.708) 1.497 3.616 ( -1.749 0.029 -0.372) 1.788 3.645 ( -0.283 -1.905 -0.088) 1.928 3.707 ( 0.555 1.879 -0.448) 2.009 3.726 ( 0.650 0.012 -1.170) 1.339 3.829 ( -5.802 3.182 2.492) 7.071 3.861 ( -4.241 -1.324 1.785) 4.788 3.905 ( -2.366 1.938 -0.386) 3.083 3.933 ( -1.041 -1.187 0.138) 1.585 3.980 ( 0.744 0.127 -4.367) 4.431 3.984 ( 1.086 -0.510 -4.668) 4.820 4.106 ( -2.372 4.303 -13.602) 14.463 4.150 ( -5.587 -1.053 -7.163) 9.145 4.568 ( 1.320 0.842 -0.110) 1.570 4.586 ( 1.003 -1.057 -0.445) 1.524 4.749 ( -0.574 1.251 -1.100) 1.762 4.763 ( -0.711 -0.420 -1.053) 1.338 4.976 ( 0.577 0.287 -1.580) 1.706 4.986 ( 1.017 -0.806 -1.274) 1.818 5.034 ( -0.048 0.093 -0.167) 0.197 5.035 ( -0.023 -0.038 -0.049) 0.066 5.454 ( -1.077 0.307 -0.959) 1.474 5.461 ( -1.056 -0.273 -0.436) 1.174 5.472 ( -0.628 0.931 -1.267) 1.693 5.481 ( -0.902 -0.046 -1.271) 1.559 5.522 ( -0.862 0.266 1.749) 1.968 5.530 ( -1.484 -0.572 2.606) 3.053 5.656 ( -1.198 2.142 -0.908) 2.617 5.675 ( -0.534 -0.319 -0.027) 0.622 5.804 ( -2.175 2.301 -1.885) 3.685 5.845 ( -3.433 -2.107 -3.652) 5.436 6.023 ( 2.276 0.909 0.256) 2.464 6.037 ( 1.592 -0.701 -0.039) 1.740 6.155 ( 0.286 0.427 -0.678) 0.851 6.162 ( -0.187 -0.278 -0.595) 0.682 6.209 ( 1.208 0.373 -0.459) 1.345 6.220 ( 0.946 -0.761 -1.702) 2.090 6.345 ( 2.158 1.821 3.649) 4.614 6.374 ( 1.487 -1.212 1.652) 2.532 6.436 ( 3.068 2.004 6.370) 7.349 6.515 ( 2.554 -7.993 12.491) 15.048 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 16.249 -4.119 10.634) 19.851 0.783 ( 9.026 -10.572 1.041) 13.940 0.931 ( 22.673 3.902 -5.217) 23.590 1.015 ( 19.467 -6.111 -7.274) 21.661 1.238 ( 6.443 9.648 -5.545) 12.858 1.328 ( 6.252 4.845 -5.033) 9.375 1.370 ( 10.310 12.480 9.810) 18.928 1.462 ( 0.087 1.931 -1.194) 2.272 1.518 ( -4.355 -0.228 0.626) 4.406 1.545 ( 0.743 -2.049 3.324) 3.975 1.574 ( -2.230 -1.114 1.805) 3.078 1.624 ( 2.779 1.341 1.150) 3.293 1.654 ( 1.504 -5.016 -0.057) 5.237 1.704 ( -3.976 -0.165 -0.628) 4.028 1.712 ( -1.386 -0.147 2.708) 3.046 1.742 ( -1.408 1.210 0.394) 1.898 1.772 ( 1.270 -5.817 0.496) 5.975 1.828 ( -2.960 -3.890 -1.767) 5.197 1.861 ( 0.241 -1.566 -2.692) 3.124 1.871 ( -0.629 -2.415 -1.899) 3.136 1.904 ( -0.800 2.576 -0.839) 2.825 1.930 ( -2.458 2.977 0.655) 3.915 1.967 ( 4.116 -5.104 -0.737) 6.598 2.006 ( 1.147 -5.160 0.084) 5.287 2.022 ( -0.452 0.620 0.469) 0.899 2.032 ( -0.598 -0.094 -1.116) 1.270 2.082 ( -0.197 0.766 0.014) 0.791 2.111 ( -0.179 -0.751 -2.570) 2.683 2.130 ( -1.170 1.442 1.657) 2.489 2.155 ( -0.180 3.367 -0.756) 3.455 2.172 ( -1.971 -0.962 -0.577) 2.268 2.212 ( -0.871 -2.349 0.013) 2.505 2.234 ( -0.407 -0.001 -1.321) 1.382 2.246 ( 1.078 -1.732 -0.790) 2.187 2.293 ( -1.201 2.516 1.792) 3.314 2.307 ( -1.328 0.630 3.390) 3.695 2.346 ( -0.404 2.752 3.343) 4.349 2.352 ( 0.827 0.735 -1.193) 1.627 2.363 ( 3.917 -0.505 -1.381) 4.184 2.414 ( -0.073 -3.518 1.993) 4.044 2.464 ( -0.833 2.327 6.107) 6.588 2.480 ( -3.346 -0.194 5.931) 6.812 2.549 ( 4.283 8.544 6.012) 11.291 2.646 ( 4.870 -0.406 -0.787) 4.950 2.699 ( -0.575 1.342 1.998) 2.474 2.752 ( 0.065 -3.192 1.246) 3.428 2.820 ( 0.933 -1.338 5.746) 5.973 2.833 ( -6.285 -1.172 4.283) 7.695 2.845 ( -0.319 -0.393 3.774) 3.807 2.868 ( -6.135 -2.073 3.444) 7.334 2.996 ( -2.130 0.739 6.184) 6.582 3.014 ( 0.265 6.124 0.580) 6.158 3.040 ( -1.757 -3.374 5.498) 6.685 3.069 ( -2.700 1.144 0.733) 3.023 3.085 ( 1.055 -1.041 -2.444) 2.858 3.127 ( -1.273 -3.901 -0.105) 4.105 3.246 ( -0.213 2.468 1.775) 3.048 3.269 ( -1.328 2.060 1.254) 2.753 3.316 ( -0.833 -0.078 0.235) 0.869 3.351 ( -3.186 -1.357 -0.467) 3.495 3.428 ( -2.128 0.846 -1.257) 2.613 3.448 ( -3.440 -0.653 -1.504) 3.811 3.485 ( -1.092 0.215 0.449) 1.200 3.509 ( 0.330 -1.442 -1.937) 2.438 3.541 ( 0.785 0.587 -1.928) 2.163 3.557 ( 0.754 -1.318 -1.794) 2.350 3.612 ( 1.607 0.905 0.260) 1.863 3.620 ( 3.308 0.671 -1.886) 3.866 3.642 ( 2.358 0.457 -0.164) 2.408 3.647 ( 0.347 0.141 1.153) 1.212 3.718 ( 0.871 1.071 -0.861) 1.627 3.737 ( 1.731 -1.116 -1.303) 2.438 3.778 ( -0.053 0.460 -0.865) 0.982 3.792 ( -3.390 -1.236 -0.202) 3.614 3.848 ( -2.564 2.542 -1.714) 3.997 3.895 ( -2.207 -2.744 -2.160) 4.131 3.948 ( -0.937 0.435 -3.382) 3.536 3.953 ( -0.611 -0.057 -3.218) 3.276 4.005 ( -1.674 1.786 -6.150) 6.619 4.025 ( -3.110 -0.391 -6.244) 6.986 4.593 ( 1.357 0.441 -0.023) 1.427 4.604 ( 1.233 -0.734 -0.097) 1.438 4.735 ( -0.397 0.645 -0.721) 1.046 4.743 ( -0.578 -0.281 -0.943) 1.141 4.979 ( 0.667 0.494 -0.960) 1.269 4.991 ( 0.561 -0.943 -1.013) 1.493 5.030 ( -0.246 0.351 -0.077) 0.436 5.035 ( -0.006 -0.152 -0.026) 0.155 5.419 ( -1.751 0.493 -0.807) 1.990 5.430 ( -1.807 -0.765 -0.628) 2.060 5.458 ( -0.327 0.477 -0.619) 0.847 5.462 ( -0.378 0.052 -0.867) 0.947 5.519 ( -0.661 0.131 1.249) 1.419 5.523 ( -0.823 -0.242 1.253) 1.519 5.642 ( -0.443 1.203 0.017) 1.282 5.660 ( -1.003 -0.795 -0.170) 1.291 5.778 ( -0.295 0.750 -0.281) 0.854 5.795 ( -0.799 -1.048 -0.774) 1.528 6.060 ( 1.525 0.301 0.280) 1.579 6.065 ( 1.250 -0.195 0.371) 1.319 6.151 ( -0.198 0.198 -0.650) 0.707 6.154 ( -0.172 -0.126 -0.503) 0.547 6.220 ( 0.369 0.089 -0.464) 0.600 6.222 ( 0.796 -0.150 -1.368) 1.590 6.403 ( 1.962 1.216 2.348) 3.292 6.424 ( 2.392 -1.162 1.876) 3.255 6.521 ( 1.348 2.710 4.950) 5.803 6.581 ( -1.028 -3.799 5.566) 6.817 ======================= Grid point 10 (8/50) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 10.418 -0.217 4.042) 11.177 1.053 ( 10.375 -6.069 6.821) 13.820 1.219 ( 7.980 2.535 -2.844) 8.842 1.234 ( 7.154 0.852 -2.025) 7.484 1.315 ( 9.131 5.817 -3.346) 11.332 1.369 ( -2.227 5.011 -0.015) 5.483 1.415 ( 6.299 -3.115 -4.497) 8.343 1.447 ( -6.024 1.590 -2.090) 6.572 1.470 ( -5.240 -5.421 -0.560) 7.560 1.498 ( -3.418 -1.850 1.786) 4.278 1.545 ( 2.574 2.314 -1.997) 3.996 1.595 ( -4.284 -1.414 -1.887) 4.891 1.665 ( -3.571 1.223 -1.116) 3.937 1.694 ( -2.276 -1.461 2.138) 3.448 1.709 ( 1.593 2.882 4.078) 5.242 1.743 ( -0.347 1.251 0.498) 1.391 1.773 ( -0.196 -1.204 0.272) 1.250 1.802 ( -1.170 -1.134 -3.710) 4.052 1.820 ( 1.691 0.419 -3.069) 3.530 1.857 ( 2.567 -5.033 -0.117) 5.651 1.889 ( -3.098 0.578 0.829) 3.258 1.940 ( 0.449 -2.442 0.775) 2.601 2.002 ( 2.930 3.019 -2.072) 4.690 2.017 ( 0.448 1.322 3.316) 3.598 2.035 ( -0.467 -0.758 0.569) 1.057 2.060 ( 0.514 -0.474 -1.648) 1.790 2.093 ( 0.327 3.254 1.878) 3.771 2.116 ( 1.852 0.186 -3.880) 4.303 2.124 ( 1.946 -0.042 0.825) 2.114 2.135 ( -2.746 0.444 4.677) 5.442 2.179 ( -2.125 -0.326 2.160) 3.048 2.207 ( 0.174 -3.237 1.367) 3.518 2.220 ( 1.768 0.592 1.377) 2.318 2.274 ( 0.034 0.861 1.867) 2.056 2.287 ( 2.561 -1.882 1.043) 3.345 2.313 ( 1.922 -0.941 -1.011) 2.367 2.366 ( 1.856 1.855 -1.695) 3.123 2.391 ( -0.095 0.622 1.127) 1.291 2.417 ( -0.715 -0.574 1.014) 1.367 2.429 ( 0.197 -0.702 4.055) 4.120 2.446 ( -1.036 1.199 0.978) 1.862 2.475 ( 0.343 -2.094 2.445) 3.237 2.601 ( -8.093 3.023 -0.555) 8.657 2.663 ( -5.128 -2.094 -1.903) 5.857 2.706 ( 6.838 3.093 1.984) 7.763 2.761 ( 1.503 0.133 0.962) 1.789 2.785 ( 1.325 -0.614 1.588) 2.157 2.822 ( 1.396 -2.469 0.004) 2.836 2.855 ( -3.894 0.289 2.143) 4.454 2.866 ( -0.418 -1.464 2.888) 3.265 2.933 ( -3.184 3.385 0.491) 4.673 2.975 ( -3.706 -0.364 -1.291) 3.941 3.052 ( -0.706 0.097 2.265) 2.375 3.061 ( -1.932 -0.432 4.887) 5.273 3.094 ( 1.152 -0.190 -2.952) 3.174 3.106 ( 1.379 -1.350 -2.251) 2.965 3.268 ( 0.009 1.529 1.169) 1.925 3.276 ( 1.163 0.897 1.684) 2.234 3.297 ( -1.106 0.475 -0.797) 1.444 3.314 ( -0.413 -1.230 0.144) 1.306 3.380 ( -1.593 0.756 -0.929) 1.993 3.401 ( -1.265 -1.598 -0.005) 2.038 3.474 ( -0.437 1.476 0.264) 1.562 3.504 ( 0.258 -1.642 -1.164) 2.030 3.533 ( -0.291 -0.093 -0.688) 0.753 3.541 ( -0.782 -1.351 -0.543) 1.653 3.622 ( -0.228 1.828 0.687) 1.966 3.645 ( 0.405 0.239 -0.876) 0.994 3.656 ( 0.199 1.091 -0.357) 1.165 3.682 ( 1.347 -0.907 -0.922) 1.867 3.717 ( -0.735 0.212 -0.191) 0.789 3.724 ( 0.516 -0.358 -0.297) 0.695 3.806 ( 1.388 0.767 -0.551) 1.679 3.817 ( 1.886 0.494 0.577) 2.033 3.819 ( 3.082 -0.376 -0.301) 3.119 3.849 ( -1.093 -1.995 -0.933) 2.459 3.904 ( -1.464 1.367 -2.326) 3.069 3.918 ( -2.076 -0.021 -2.337) 3.126 3.939 ( -2.363 0.407 -2.165) 3.231 3.946 ( -1.328 -0.448 -0.998) 1.720 4.610 ( 0.466 0.543 -0.022) 0.716 4.622 ( 0.628 -0.827 -0.007) 1.038 4.725 ( -0.228 0.507 -0.238) 0.605 4.732 ( -0.173 -0.230 -0.331) 0.439 4.984 ( 0.384 0.233 -0.251) 0.515 4.991 ( 0.072 -0.591 -0.424) 0.731 5.025 ( -0.179 0.640 -0.040) 0.666 5.034 ( -0.020 -0.367 0.001) 0.367 5.391 ( -0.736 0.394 -0.287) 0.883 5.400 ( -0.931 -0.601 -0.170) 1.122 5.450 ( -0.182 0.308 -0.304) 0.469 5.453 ( -0.074 -0.059 -0.448) 0.458 5.517 ( -0.257 0.094 0.465) 0.539 5.519 ( -0.217 -0.131 0.334) 0.420 5.636 ( -0.227 0.512 0.012) 0.561 5.644 ( -0.498 -0.385 -0.140) 0.644 5.781 ( 0.330 0.241 0.246) 0.477 5.787 ( -0.180 -0.382 0.007) 0.422 6.079 ( 0.469 0.173 0.174) 0.530 6.082 ( 0.453 -0.161 0.047) 0.483 6.144 ( -0.139 0.279 -0.247) 0.398 6.149 ( -0.089 -0.255 -0.208) 0.341 6.223 ( 0.200 0.141 -0.019) 0.246 6.225 ( 0.309 -0.107 -0.551) 0.641 6.441 ( 0.859 1.424 0.894) 1.888 6.471 ( 1.325 -1.836 0.771) 2.391 6.558 ( 0.294 1.647 1.644) 2.346 6.586 ( -0.880 -1.480 1.682) 2.407 ======================= Grid point 21 (9/50) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 6.729 0.000 23.381) 24.330 0.472 ( -7.420 0.000 23.583) 24.723 0.639 ( 2.179 0.000 31.643) 31.718 0.938 ( -8.764 0.000 10.344) 13.557 0.951 ( -10.181 0.000 7.903) 12.889 1.107 ( -5.967 0.000 -4.207) 7.301 1.171 ( -9.468 0.000 -7.857) 12.304 1.409 ( 4.342 0.000 2.138) 4.840 1.510 ( -0.797 0.000 1.523) 1.718 1.550 ( 3.761 0.000 3.731) 5.298 1.585 ( -4.395 0.000 4.807) 6.514 1.665 ( 3.485 0.000 2.019) 4.028 1.726 ( -1.931 0.000 -2.697) 3.317 1.753 ( -0.151 0.000 1.165) 1.174 1.788 ( -0.697 0.000 2.402) 2.501 1.794 ( 2.713 0.000 -1.156) 2.949 1.798 ( 2.627 0.000 -0.534) 2.681 1.867 ( 0.817 0.000 -0.077) 0.820 1.882 ( 1.518 0.000 -1.207) 1.939 1.906 ( -0.249 0.000 0.260) 0.360 1.959 ( 1.079 0.000 -2.754) 2.958 1.986 ( 3.457 0.000 -0.405) 3.480 1.987 ( -0.335 0.000 -4.451) 4.464 2.011 ( -2.256 0.000 1.866) 2.928 2.014 ( -2.788 0.000 1.943) 3.398 2.037 ( -0.804 0.000 -1.729) 1.907 2.047 ( 1.020 0.000 1.864) 2.125 2.086 ( -1.097 0.000 2.186) 2.446 2.125 ( -0.494 0.000 -2.488) 2.537 2.136 ( -4.502 0.000 -0.506) 4.530 2.185 ( 2.225 0.000 1.009) 2.443 2.213 ( -2.199 0.000 -4.272) 4.804 2.219 ( 0.627 0.000 -1.217) 1.368 2.228 ( -1.270 0.000 0.249) 1.295 2.280 ( -1.209 0.000 -0.420) 1.280 2.288 ( -0.935 0.000 0.217) 0.960 2.307 ( -0.060 0.000 3.315) 3.316 2.327 ( -1.110 0.000 -0.151) 1.120 2.353 ( -0.506 0.000 -0.266) 0.572 2.390 ( 4.187 0.000 -1.230) 4.364 2.409 ( 7.826 0.000 0.402) 7.836 2.439 ( 1.516 0.000 0.227) 1.533 2.467 ( 3.805 0.000 1.751) 4.189 2.608 ( -0.250 0.000 2.815) 2.826 2.674 ( 6.225 0.000 2.439) 6.686 2.765 ( 2.107 0.000 -0.598) 2.190 2.789 ( 5.119 0.000 -0.767) 5.176 2.794 ( 3.105 0.000 2.052) 3.722 2.900 ( 1.404 0.000 -0.895) 1.665 2.932 ( 3.678 0.000 -0.442) 3.704 2.936 ( 6.974 0.000 0.484) 6.991 3.008 ( -0.066 0.000 1.503) 1.505 3.060 ( 1.301 0.000 -1.215) 1.780 3.076 ( -0.710 0.000 -1.000) 1.227 3.122 ( 3.689 0.000 1.188) 3.876 3.131 ( 3.629 0.000 -1.409) 3.893 3.210 ( 2.325 0.000 0.847) 2.474 3.210 ( 1.347 0.000 0.372) 1.398 3.385 ( -0.350 0.000 -1.304) 1.350 3.428 ( 1.553 0.000 0.387) 1.601 3.439 ( -0.146 0.000 -2.686) 2.690 3.467 ( -1.675 0.000 -1.197) 2.059 3.488 ( -0.926 0.000 -3.065) 3.202 3.528 ( 0.350 0.000 -0.419) 0.546 3.530 ( -3.174 0.000 0.812) 3.276 3.546 ( -0.502 0.000 -0.012) 0.502 3.590 ( 1.718 0.000 1.429) 2.234 3.613 ( -0.934 0.000 -1.507) 1.773 3.615 ( 1.302 0.000 -0.642) 1.452 3.651 ( 1.667 0.000 -1.643) 2.341 3.695 ( -0.139 0.000 0.616) 0.631 3.708 ( -2.447 0.000 1.065) 2.669 3.732 ( -1.303 0.000 0.718) 1.487 3.877 ( 1.753 0.000 -3.091) 3.553 3.884 ( 1.036 0.000 -2.471) 2.679 3.932 ( -0.265 0.000 -0.320) 0.415 3.966 ( -3.120 0.000 -0.816) 3.225 4.002 ( -5.506 0.000 0.675) 5.547 4.018 ( -6.669 0.000 0.502) 6.688 4.176 ( -4.946 0.000 -8.607) 9.927 4.565 ( -0.705 0.000 1.492) 1.651 4.633 ( -2.492 0.000 0.148) 2.496 4.703 ( 0.621 0.000 -2.562) 2.636 4.761 ( -0.392 0.000 -1.755) 1.799 4.979 ( -2.050 0.000 -0.368) 2.082 4.994 ( -1.023 0.000 0.416) 1.104 5.018 ( 0.399 0.000 -1.331) 1.389 5.023 ( 0.251 0.000 -1.154) 1.181 5.452 ( -0.910 0.000 -1.803) 2.019 5.463 ( 0.340 0.000 -1.531) 1.568 5.466 ( -0.917 0.000 1.429) 1.698 5.495 ( -1.819 0.000 1.308) 2.241 5.604 ( -1.637 0.000 4.263) 4.567 5.624 ( 0.439 0.000 0.353) 0.564 5.668 ( 1.172 0.000 -0.437) 1.251 5.679 ( -7.715 0.000 0.761) 7.752 5.803 ( -0.806 0.000 1.078) 1.346 5.873 ( -2.755 0.000 -3.405) 4.380 5.973 ( 1.269 0.000 -1.032) 1.635 5.992 ( 2.817 0.000 -1.218) 3.069 6.138 ( 0.386 0.000 -0.159) 0.417 6.171 ( -0.715 0.000 -0.218) 0.748 6.184 ( 1.468 0.000 -0.432) 1.531 6.194 ( -0.208 0.000 0.021) 0.209 6.332 ( 1.903 0.000 2.357) 3.029 6.368 ( 1.549 0.000 -0.015) 1.549 6.430 ( 3.286 0.000 5.502) 6.409 6.629 ( 12.120 0.000 0.855) 12.150 ======================= Grid point 22 (10/50) ======================= q-point: ( 0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 6.875 0.000 14.901) 16.410 0.811 ( 12.400 0.000 19.828) 23.386 0.915 ( 2.402 0.000 2.292) 3.320 0.924 ( 0.322 0.000 6.505) 6.513 0.962 ( -2.889 0.000 -3.362) 4.433 1.008 ( -1.293 0.000 -1.789) 2.207 1.108 ( 14.592 0.000 22.050) 26.441 1.483 ( -0.661 0.000 -2.338) 2.430 1.506 ( 2.167 0.000 1.534) 2.655 1.543 ( 0.524 0.000 2.212) 2.273 1.624 ( 2.735 0.000 0.138) 2.738 1.642 ( -5.481 0.000 -0.641) 5.518 1.685 ( -4.181 0.000 -4.510) 6.150 1.740 ( -3.534 0.000 -5.115) 6.217 1.759 ( 0.472 0.000 2.512) 2.556 1.777 ( -0.769 0.000 0.350) 0.844 1.796 ( -1.351 0.000 -5.200) 5.373 1.879 ( -1.622 0.000 -1.366) 2.120 1.886 ( -2.509 0.000 -1.860) 3.123 1.917 ( 2.013 0.000 -2.100) 2.909 1.953 ( -1.848 0.000 0.868) 2.041 1.957 ( -0.600 0.000 -1.361) 1.487 1.981 ( 0.133 0.000 2.166) 2.170 2.002 ( -1.218 0.000 -2.556) 2.832 2.020 ( -0.779 0.000 -0.645) 1.011 2.035 ( -0.855 0.000 -0.303) 0.907 2.077 ( -0.742 0.000 -1.839) 1.983 2.095 ( 1.266 0.000 0.737) 1.464 2.101 ( 4.541 0.000 2.164) 5.030 2.124 ( 1.350 0.000 1.257) 1.844 2.173 ( 1.743 0.000 1.989) 2.645 2.196 ( 0.595 0.000 0.344) 0.687 2.205 ( 1.520 0.000 -1.062) 1.854 2.241 ( -1.558 0.000 -0.046) 1.559 2.273 ( -3.163 0.000 2.032) 3.760 2.316 ( -0.129 0.000 1.465) 1.470 2.326 ( 5.489 0.000 5.524) 7.787 2.357 ( 2.562 0.000 3.882) 4.651 2.382 ( 1.468 0.000 2.212) 2.655 2.434 ( -1.859 0.000 1.441) 2.352 2.442 ( 2.890 0.000 -1.923) 3.471 2.506 ( 3.534 0.000 -0.568) 3.579 2.528 ( 1.851 0.000 2.630) 3.216 2.633 ( 0.416 0.000 3.521) 3.545 2.759 ( -0.648 0.000 1.525) 1.657 2.800 ( 4.415 0.000 2.544) 5.096 2.807 ( -0.736 0.000 -0.234) 0.772 2.907 ( 3.702 0.000 3.734) 5.259 2.908 ( -1.258 0.000 -1.420) 1.897 2.987 ( 0.454 0.000 -2.464) 2.505 3.001 ( 2.347 0.000 2.952) 3.772 3.025 ( -3.797 0.000 -2.722) 4.672 3.059 ( 3.040 0.000 3.466) 4.610 3.104 ( 0.619 0.000 2.108) 2.197 3.179 ( 1.998 0.000 -0.524) 2.065 3.183 ( 0.957 0.000 -0.469) 1.066 3.235 ( 0.684 0.000 1.569) 1.712 3.248 ( 0.515 0.000 3.436) 3.474 3.343 ( -2.426 0.000 -2.655) 3.597 3.396 ( -3.602 0.000 -4.485) 5.752 3.429 ( 0.876 0.000 -2.875) 3.006 3.438 ( 2.184 0.000 -1.159) 2.472 3.471 ( 2.236 0.000 -2.110) 3.075 3.480 ( -2.543 0.000 -2.000) 3.236 3.510 ( -1.606 0.000 -0.705) 1.754 3.531 ( 0.051 0.000 -0.487) 0.490 3.595 ( 0.492 0.000 2.084) 2.142 3.601 ( -1.052 0.000 -0.931) 1.404 3.625 ( 0.014 0.000 -1.500) 1.500 3.657 ( -0.879 0.000 0.423) 0.975 3.698 ( 0.691 0.000 -1.249) 1.428 3.698 ( 0.336 0.000 -0.707) 0.783 3.730 ( 0.572 0.000 0.224) 0.614 3.841 ( -2.776 0.000 -2.609) 3.810 3.866 ( -0.036 0.000 -3.293) 3.294 3.908 ( -3.999 0.000 0.893) 4.097 3.927 ( 0.102 0.000 -0.752) 0.758 3.950 ( -0.250 0.000 -0.069) 0.260 3.954 ( -3.307 0.000 -0.816) 3.406 4.002 ( -4.575 0.000 -7.800) 9.042 4.574 ( 0.518 0.000 1.147) 1.258 4.608 ( -0.659 0.000 0.828) 1.058 4.702 ( 1.105 0.000 -1.909) 2.206 4.739 ( -0.497 0.000 -1.837) 1.903 4.961 ( -0.136 0.000 -0.038) 0.141 4.988 ( 0.076 0.000 -0.025) 0.080 5.012 ( 0.177 0.000 -1.512) 1.523 5.021 ( 0.366 0.000 -1.205) 1.260 5.427 ( -0.764 0.000 -1.050) 1.298 5.453 ( -0.450 0.000 -0.903) 1.009 5.456 ( -0.635 0.000 -0.105) 0.643 5.469 ( -1.298 0.000 0.115) 1.303 5.583 ( -3.054 0.000 3.169) 4.401 5.599 ( -3.910 0.000 2.633) 4.714 5.640 ( 0.177 0.000 1.461) 1.471 5.683 ( 0.082 0.000 0.445) 0.452 5.787 ( -1.479 0.000 0.584) 1.590 5.816 ( -1.330 0.000 -0.578) 1.450 6.010 ( 2.897 0.000 -0.761) 2.995 6.032 ( 2.454 0.000 -1.210) 2.736 6.143 ( 0.205 0.000 -0.159) 0.260 6.156 ( -0.529 0.000 -0.361) 0.640 6.186 ( 0.524 0.000 -1.090) 1.209 6.205 ( 0.763 0.000 -0.547) 0.939 6.379 ( 1.972 0.000 1.132) 2.274 6.403 ( 2.270 0.000 0.320) 2.293 6.524 ( 1.956 0.000 5.081) 5.445 6.697 ( -0.732 0.000 -0.820) 1.099 ======================= Grid point 23 (11/50) ======================= q-point: ( 0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 16.552 0.000 4.613) 17.182 0.927 ( 3.280 0.000 0.214) 3.287 1.046 ( 10.470 0.000 -4.627) 11.447 1.056 ( 8.739 0.000 2.178) 9.007 1.056 ( 8.611 0.000 2.291) 8.910 1.163 ( 11.260 0.000 15.305) 19.001 1.394 ( -2.532 0.000 3.902) 4.652 1.474 ( 2.426 0.000 -4.304) 4.941 1.504 ( 2.108 0.000 0.288) 2.127 1.519 ( -6.694 0.000 -5.729) 8.811 1.608 ( 2.674 0.000 3.176) 4.152 1.617 ( -1.777 0.000 -8.564) 8.746 1.629 ( -4.975 0.000 -6.038) 7.824 1.666 ( 5.131 0.000 4.634) 6.914 1.727 ( -0.314 0.000 -5.416) 5.425 1.755 ( -0.343 0.000 4.062) 4.077 1.778 ( -3.073 0.000 -3.381) 4.569 1.793 ( -3.745 0.000 3.612) 5.203 1.848 ( -1.316 0.000 2.751) 3.050 1.880 ( -3.645 0.000 1.762) 4.048 1.882 ( -0.165 0.000 -6.777) 6.779 1.935 ( -0.440 0.000 -5.258) 5.277 1.973 ( -1.499 0.000 -2.622) 3.021 1.999 ( 0.913 0.000 -0.455) 1.020 2.036 ( 1.030 0.000 3.269) 3.427 2.038 ( 2.631 0.000 1.113) 2.857 2.045 ( -0.383 0.000 -1.598) 1.644 2.089 ( 1.883 0.000 -4.831) 5.185 2.143 ( 1.202 0.000 -1.369) 1.822 2.160 ( -5.686 0.000 -1.878) 5.988 2.183 ( 0.240 0.000 1.577) 1.596 2.203 ( -1.373 0.000 -0.426) 1.438 2.256 ( 2.111 0.000 1.637) 2.672 2.262 ( -0.667 0.000 1.259) 1.425 2.275 ( 5.397 0.000 2.645) 6.010 2.366 ( -3.051 0.000 1.537) 3.416 2.372 ( 2.515 0.000 2.572) 3.597 2.402 ( -1.198 0.000 2.522) 2.792 2.411 ( 0.648 0.000 2.497) 2.580 2.467 ( 0.879 0.000 1.581) 1.809 2.487 ( 1.886 0.000 3.827) 4.266 2.546 ( 1.150 0.000 1.898) 2.219 2.614 ( 5.840 0.000 4.173) 7.178 2.668 ( 0.450 0.000 4.909) 4.929 2.756 ( -4.222 0.000 3.309) 5.364 2.793 ( -0.440 0.000 -1.137) 1.219 2.852 ( -1.662 0.000 2.475) 2.981 2.861 ( -3.128 0.000 0.022) 3.129 2.890 ( -1.842 0.000 -3.497) 3.952 2.930 ( -4.675 0.000 -0.452) 4.697 2.954 ( -2.108 0.000 -5.067) 5.488 3.020 ( -3.100 0.000 1.817) 3.593 3.091 ( -2.921 0.000 2.197) 3.655 3.117 ( 2.145 0.000 3.110) 3.778 3.147 ( -2.779 0.000 -0.585) 2.840 3.176 ( -4.258 0.000 1.263) 4.441 3.251 ( -0.538 0.000 -0.724) 0.902 3.276 ( 0.187 0.000 2.124) 2.132 3.282 ( -0.659 0.000 -1.447) 1.590 3.340 ( -0.374 0.000 0.552) 0.667 3.419 ( -1.780 0.000 0.322) 1.809 3.434 ( -0.583 0.000 -1.171) 1.308 3.447 ( -0.489 0.000 -4.486) 4.512 3.495 ( 2.684 0.000 -2.400) 3.601 3.513 ( 1.975 0.000 -0.850) 2.151 3.542 ( 1.752 0.000 -3.132) 3.589 3.582 ( -0.437 0.000 2.147) 2.191 3.603 ( -0.059 0.000 -1.113) 1.114 3.644 ( 1.977 0.000 1.385) 2.414 3.650 ( -0.051 0.000 0.274) 0.279 3.704 ( 1.397 0.000 -0.359) 1.443 3.716 ( 1.280 0.000 -2.594) 2.892 3.763 ( 2.895 0.000 1.539) 3.279 3.781 ( -2.741 0.000 -1.195) 2.990 3.802 ( -0.781 0.000 0.429) 0.891 3.857 ( -0.287 0.000 -1.534) 1.561 3.904 ( -1.730 0.000 -0.264) 1.750 3.919 ( -0.507 0.000 -0.913) 1.044 3.939 ( -1.351 0.000 -1.983) 2.399 3.949 ( 0.093 0.000 -0.796) 0.801 4.591 ( 0.689 0.000 0.021) 0.689 4.616 ( 0.799 0.000 0.410) 0.898 4.709 ( 0.676 0.000 -1.082) 1.276 4.722 ( 0.092 0.000 -1.272) 1.275 4.968 ( 0.780 0.000 -0.012) 0.780 4.990 ( 0.177 0.000 -0.468) 0.500 5.003 ( 0.206 0.000 -1.726) 1.739 5.018 ( 0.487 0.000 -1.627) 1.699 5.408 ( -0.968 0.000 0.242) 0.998 5.435 ( -1.298 0.000 0.319) 1.337 5.449 ( 0.135 0.000 -0.207) 0.247 5.457 ( -0.293 0.000 0.669) 0.731 5.556 ( -2.093 0.000 1.981) 2.882 5.556 ( -2.687 0.000 1.680) 3.169 5.644 ( -0.722 0.000 1.119) 1.331 5.670 ( -1.569 0.000 0.513) 1.651 5.781 ( 0.081 0.000 1.005) 1.009 5.804 ( -0.598 0.000 0.739) 0.951 6.048 ( 1.998 0.000 -1.198) 2.330 6.059 ( 1.583 0.000 -1.153) 1.958 6.141 ( -0.158 0.000 -0.172) 0.234 6.150 ( -0.048 0.000 -0.096) 0.107 6.194 ( 1.140 0.000 -1.037) 1.541 6.214 ( 0.785 0.000 -0.543) 0.955 6.412 ( 1.258 0.000 -0.417) 1.325 6.446 ( 2.464 0.000 -0.928) 2.633 6.563 ( -0.359 0.000 2.100) 2.131 6.654 ( -2.935 0.000 -0.862) 3.059 ======================= Grid point 24 (12/50) ======================= q-point: ( 0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( 7.150 0.000 4.274) 8.331 1.149 ( 9.896 0.000 1.837) 10.065 1.176 ( 4.164 0.000 -2.333) 4.773 1.212 ( 6.140 0.000 -0.412) 6.154 1.262 ( 0.812 0.000 -2.010) 2.168 1.297 ( 7.935 0.000 -1.702) 8.115 1.343 ( 2.513 0.000 1.662) 3.012 1.411 ( -4.300 0.000 -4.242) 6.040 1.480 ( -3.868 0.000 -7.940) 8.832 1.509 ( 3.843 0.000 -3.984) 5.535 1.542 ( -5.463 0.000 0.351) 5.474 1.570 ( 7.043 0.000 7.693) 10.430 1.595 ( 2.921 0.000 -9.855) 10.279 1.657 ( -1.441 0.000 -1.272) 1.922 1.703 ( 4.119 0.000 -6.045) 7.315 1.741 ( -0.288 0.000 -0.458) 0.541 1.764 ( -6.436 0.000 0.484) 6.455 1.779 ( 0.226 0.000 -0.777) 0.809 1.803 ( -4.949 0.000 -4.559) 6.728 1.862 ( 3.352 0.000 7.843) 8.529 1.896 ( 0.998 0.000 -5.374) 5.466 1.953 ( 3.999 0.000 1.187) 4.171 1.961 ( -0.422 0.000 -1.680) 1.732 1.997 ( -4.573 0.000 -3.750) 5.914 2.035 ( 1.319 0.000 -1.885) 2.301 2.038 ( -0.061 0.000 1.448) 1.449 2.085 ( 0.854 0.000 -0.265) 0.894 2.096 ( 3.922 0.000 -5.242) 6.547 2.111 ( 1.955 0.000 3.732) 4.213 2.161 ( -0.871 0.000 -1.238) 1.514 2.165 ( -0.571 0.000 -3.198) 3.249 2.228 ( -0.721 0.000 -3.673) 3.744 2.251 ( 0.441 0.000 3.812) 3.838 2.288 ( 3.038 0.000 2.831) 4.152 2.312 ( 1.017 0.000 3.070) 3.234 2.346 ( -4.600 0.000 2.681) 5.324 2.371 ( -4.866 0.000 -0.085) 4.867 2.373 ( -0.763 0.000 1.316) 1.521 2.405 ( -0.132 0.000 0.501) 0.518 2.406 ( -8.941 0.000 1.775) 9.116 2.508 ( -0.105 0.000 0.149) 0.182 2.539 ( -2.397 0.000 -0.506) 2.450 2.674 ( -5.553 0.000 0.949) 5.633 2.693 ( -9.526 0.000 -1.173) 9.598 2.739 ( 3.191 0.000 2.921) 4.326 2.757 ( 1.587 0.000 -3.044) 3.433 2.803 ( -3.719 0.000 -3.510) 5.114 2.808 ( 0.020 0.000 6.435) 6.435 2.817 ( -3.283 0.000 -3.606) 4.877 2.883 ( -1.756 0.000 -1.013) 2.028 2.919 ( 2.114 0.000 0.772) 2.250 2.957 ( -1.102 0.000 -2.517) 2.748 3.036 ( -4.398 0.000 -0.268) 4.406 3.089 ( -5.028 0.000 1.140) 5.155 3.142 ( 0.632 0.000 4.091) 4.139 3.174 ( 0.271 0.000 4.960) 4.968 3.224 ( -0.183 0.000 -2.430) 2.437 3.260 ( -2.013 0.000 -3.583) 4.110 3.287 ( 0.485 0.000 0.605) 0.775 3.336 ( -1.386 0.000 1.118) 1.781 3.391 ( -1.114 0.000 1.886) 2.190 3.421 ( 1.377 0.000 -1.235) 1.850 3.425 ( -0.696 0.000 0.268) 0.746 3.520 ( 1.299 0.000 -0.674) 1.464 3.541 ( 1.672 0.000 0.207) 1.685 3.552 ( 2.483 0.000 -3.845) 4.577 3.579 ( -1.759 0.000 1.701) 2.447 3.611 ( 0.957 0.000 -0.427) 1.048 3.666 ( -0.216 0.000 1.205) 1.224 3.668 ( 2.607 0.000 -0.917) 2.763 3.706 ( 0.439 0.000 -0.337) 0.554 3.732 ( 1.210 0.000 0.315) 1.250 3.802 ( 0.006 0.000 1.024) 1.024 3.828 ( 3.157 0.000 1.048) 3.326 3.857 ( 4.395 0.000 2.255) 4.939 3.861 ( 0.184 0.000 0.671) 0.696 3.886 ( 1.128 0.000 2.117) 2.399 3.895 ( -0.982 0.000 0.149) 0.994 3.919 ( 0.464 0.000 0.578) 0.741 3.943 ( 0.030 0.000 -0.539) 0.539 4.599 ( 0.496 0.000 -0.589) 0.770 4.632 ( 0.553 0.000 0.186) 0.584 4.709 ( 0.424 0.000 -0.882) 0.979 4.725 ( 0.658 0.000 -0.400) 0.770 4.985 ( 1.114 0.000 0.003) 1.114 4.988 ( 0.069 0.000 -0.428) 0.433 4.997 ( 0.624 0.000 -1.687) 1.799 5.016 ( 0.769 0.000 -1.955) 2.101 5.401 ( -0.373 0.000 1.408) 1.457 5.417 ( -1.239 0.000 1.450) 1.907 5.456 ( 0.257 0.000 1.021) 1.053 5.468 ( 0.296 0.000 1.843) 1.867 5.529 ( -1.434 0.000 0.887) 1.686 5.537 ( -1.290 0.000 1.077) 1.680 5.635 ( -0.676 0.000 0.301) 0.740 5.651 ( -0.683 0.000 0.459) 0.823 5.790 ( -0.136 0.000 0.854) 0.864 5.797 ( -0.731 0.000 0.924) 1.178 6.063 ( 0.828 0.000 -1.614) 1.814 6.073 ( 0.897 0.000 -1.224) 1.517 6.141 ( 0.178 0.000 0.196) 0.265 6.151 ( 0.165 0.000 0.203) 0.261 6.206 ( 0.805 0.000 -0.715) 1.076 6.227 ( 1.009 0.000 -0.062) 1.010 6.413 ( -0.114 0.000 -2.465) 2.468 6.466 ( 1.229 0.000 -3.266) 3.490 6.547 ( -1.781 0.000 -0.917) 2.004 6.589 ( -2.788 0.000 -2.416) 3.689 ======================= Grid point 25 (13/50) ======================= q-point: (-0.43 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( -14.387 0.000 -9.418) 17.195 1.079 ( -8.773 0.000 -4.277) 9.760 1.153 ( -7.710 0.000 2.978) 8.265 1.178 ( -4.882 0.000 3.072) 5.768 1.323 ( 2.604 0.000 -1.868) 3.205 1.366 ( 5.322 0.000 0.066) 5.323 1.425 ( -2.277 0.000 6.045) 6.459 1.431 ( 5.406 0.000 -3.376) 6.373 1.494 ( 5.968 0.000 -0.047) 5.968 1.532 ( -4.218 0.000 4.983) 6.529 1.555 ( 5.889 0.000 -2.426) 6.370 1.621 ( 5.648 0.000 -4.392) 7.155 1.630 ( 2.187 0.000 -1.968) 2.942 1.643 ( -7.050 0.000 -3.392) 7.824 1.675 ( 0.659 0.000 -3.756) 3.814 1.707 ( -2.592 0.000 -0.873) 2.735 1.773 ( 3.849 0.000 -4.140) 5.653 1.775 ( 0.599 0.000 -1.004) 1.169 1.815 ( 1.868 0.000 -2.185) 2.875 1.857 ( 9.908 0.000 1.323) 9.996 1.874 ( -6.070 0.000 -2.055) 6.408 1.926 ( 0.997 0.000 -1.657) 1.934 1.982 ( 3.063 0.000 6.239) 6.951 2.010 ( 2.036 0.000 -1.402) 2.472 2.038 ( -0.136 0.000 -0.887) 0.897 2.063 ( 1.951 0.000 0.844) 2.126 2.073 ( -0.814 0.000 2.451) 2.583 2.131 ( -0.146 0.000 -1.930) 1.935 2.140 ( -0.087 0.000 1.664) 1.667 2.163 ( 5.755 0.000 -5.902) 8.243 2.178 ( 2.889 0.000 0.818) 3.003 2.211 ( -3.890 0.000 0.647) 3.944 2.214 ( 5.320 0.000 -10.811) 12.049 2.250 ( -2.313 0.000 0.002) 2.313 2.268 ( -6.081 0.000 3.033) 6.795 2.285 ( -0.812 0.000 -2.330) 2.467 2.316 ( -3.861 0.000 1.061) 4.004 2.329 ( -2.473 0.000 -1.425) 2.854 2.381 ( -7.357 0.000 -0.771) 7.397 2.402 ( -4.464 0.000 0.504) 4.492 2.444 ( -4.552 0.000 -3.324) 5.636 2.490 ( -5.811 0.000 0.383) 5.824 2.532 ( -5.126 0.000 -0.064) 5.127 2.624 ( 5.142 0.000 4.283) 6.692 2.698 ( -0.954 0.000 -2.340) 2.527 2.706 ( -1.972 0.000 -5.937) 6.256 2.761 ( -0.976 0.000 -2.821) 2.985 2.766 ( -0.814 0.000 -5.189) 5.252 2.832 ( -2.774 0.000 2.554) 3.771 2.919 ( -1.163 0.000 -3.145) 3.353 2.931 ( 1.966 0.000 2.726) 3.361 2.948 ( 0.332 0.000 -2.132) 2.158 2.972 ( 0.750 0.000 0.915) 1.183 3.017 ( -2.596 0.000 -2.902) 3.894 3.164 ( -0.813 0.000 -0.358) 0.889 3.171 ( -2.431 0.000 -0.699) 2.529 3.209 ( -1.772 0.000 1.240) 2.163 3.222 ( -0.189 0.000 0.993) 1.011 3.320 ( 2.454 0.000 1.851) 3.073 3.321 ( -0.205 0.000 -0.577) 0.612 3.401 ( 1.237 0.000 0.897) 1.528 3.433 ( 0.742 0.000 2.751) 2.849 3.459 ( 1.860 0.000 1.528) 2.407 3.531 ( 0.309 0.000 -0.063) 0.316 3.568 ( 1.124 0.000 0.553) 1.253 3.573 ( 2.155 0.000 -2.495) 3.297 3.581 ( 0.721 0.000 0.917) 1.167 3.619 ( 0.766 0.000 -1.572) 1.748 3.656 ( -1.746 0.000 0.887) 1.958 3.692 ( -2.423 0.000 0.614) 2.500 3.724 ( 3.796 0.000 0.439) 3.821 3.740 ( -0.727 0.000 0.233) 0.763 3.814 ( 0.498 0.000 1.210) 1.308 3.818 ( -2.028 0.000 0.533) 2.097 3.846 ( -2.443 0.000 1.009) 2.643 3.911 ( 2.671 0.000 2.385) 3.581 3.935 ( 0.454 0.000 -0.320) 0.555 3.966 ( 4.163 0.000 4.257) 5.954 3.988 ( 4.204 0.000 3.630) 5.555 3.997 ( 5.661 0.000 3.180) 6.493 4.600 ( 0.051 0.000 -0.551) 0.553 4.634 ( -0.553 0.000 0.358) 0.659 4.715 ( 0.792 0.000 -0.781) 1.112 4.738 ( 0.969 0.000 0.045) 0.970 4.989 ( 0.297 0.000 -0.002) 0.297 5.003 ( 1.206 0.000 -1.445) 1.882 5.004 ( 0.827 0.000 0.130) 0.837 5.017 ( 0.889 0.000 -1.822) 2.027 5.415 ( 0.257 0.000 2.260) 2.275 5.419 ( 0.543 0.000 1.495) 1.591 5.467 ( -0.313 0.000 1.731) 1.759 5.488 ( -0.113 0.000 2.754) 2.757 5.518 ( -0.442 0.000 0.898) 1.001 5.527 ( -0.551 0.000 0.931) 1.082 5.628 ( -0.149 0.000 -0.308) 0.342 5.654 ( 0.600 0.000 0.166) 0.622 5.784 ( -0.728 0.000 1.146) 1.357 5.804 ( 0.487 0.000 1.442) 1.522 6.058 ( 0.067 0.000 -1.608) 1.609 6.071 ( -0.217 0.000 -1.455) 1.471 6.150 ( 0.500 0.000 0.615) 0.793 6.159 ( 0.255 0.000 0.659) 0.706 6.213 ( 0.537 0.000 -0.261) 0.597 6.247 ( 0.709 0.000 1.028) 1.248 6.374 ( -1.419 0.000 -4.273) 4.503 6.434 ( -1.255 0.000 -5.195) 5.344 6.492 ( -2.537 0.000 -3.149) 4.043 6.526 ( -1.327 0.000 -5.396) 5.557 ======================= Grid point 26 (14/50) ======================= q-point: (-0.29 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -17.320 0.000 -5.175) 18.077 0.702 ( -20.013 0.000 -12.737) 23.723 1.142 ( -4.987 0.000 10.311) 11.453 1.158 ( -1.618 0.000 6.575) 6.771 1.224 ( -19.947 0.000 9.712) 22.186 1.282 ( -9.127 0.000 7.296) 11.684 1.389 ( -14.776 0.000 6.246) 16.042 1.452 ( -4.726 0.000 -0.116) 4.728 1.470 ( 1.142 0.000 -6.559) 6.658 1.543 ( 2.514 0.000 -6.331) 6.812 1.545 ( 8.305 0.000 5.379) 9.894 1.612 ( -0.754 0.000 -1.442) 1.627 1.621 ( 0.367 0.000 -0.932) 1.002 1.673 ( 1.887 0.000 -0.754) 2.033 1.697 ( 4.473 0.000 -1.449) 4.702 1.725 ( 1.771 0.000 2.188) 2.815 1.789 ( 5.588 0.000 -4.023) 6.885 1.829 ( 5.078 0.000 -1.854) 5.406 1.877 ( 2.118 0.000 -1.616) 2.664 1.911 ( 3.126 0.000 1.461) 3.450 1.915 ( -2.089 0.000 -1.943) 2.853 1.999 ( -3.879 0.000 1.383) 4.118 2.012 ( 2.731 0.000 -0.507) 2.778 2.045 ( -1.063 0.000 -1.874) 2.155 2.061 ( 7.125 0.000 0.260) 7.129 2.072 ( -4.926 0.000 1.253) 5.083 2.084 ( 1.189 0.000 5.649) 5.772 2.127 ( -3.034 0.000 -2.130) 3.707 2.149 ( 0.908 0.000 -0.637) 1.109 2.157 ( 4.188 0.000 -6.923) 8.091 2.163 ( -2.859 0.000 1.656) 3.304 2.190 ( -2.638 0.000 -0.372) 2.664 2.209 ( 1.298 0.000 0.148) 1.307 2.230 ( 1.276 0.000 -1.737) 2.155 2.234 ( 5.061 0.000 -9.464) 10.732 2.269 ( -0.757 0.000 -1.020) 1.271 2.272 ( 3.240 0.000 -1.784) 3.698 2.276 ( 1.369 0.000 -0.794) 1.583 2.333 ( 0.776 0.000 0.823) 1.131 2.380 ( 2.592 0.000 -1.736) 3.120 2.386 ( -0.814 0.000 -1.048) 1.327 2.421 ( -3.749 0.000 2.203) 4.348 2.449 ( -6.360 0.000 4.040) 7.535 2.604 ( 1.510 0.000 -4.141) 4.407 2.626 ( -1.402 0.000 -5.221) 5.406 2.689 ( -0.401 0.000 -8.172) 8.182 2.697 ( -2.710 0.000 -5.117) 5.790 2.817 ( 1.032 0.000 -0.084) 1.036 2.823 ( 2.861 0.000 1.375) 3.174 2.855 ( -2.277 0.000 -3.511) 4.185 2.900 ( -1.059 0.000 0.456) 1.152 2.955 ( 0.479 0.000 -2.782) 2.823 2.987 ( 3.454 0.000 -3.784) 5.123 3.048 ( 2.689 0.000 1.513) 3.086 3.132 ( -1.635 0.000 -0.970) 1.901 3.140 ( 0.275 0.000 -1.053) 1.088 3.173 ( -3.321 0.000 1.862) 3.807 3.204 ( -1.120 0.000 -0.693) 1.317 3.317 ( 0.597 0.000 -1.884) 1.976 3.370 ( 1.696 0.000 0.634) 1.811 3.451 ( 1.315 0.000 0.999) 1.651 3.480 ( 3.170 0.000 2.384) 3.966 3.490 ( 0.513 0.000 0.501) 0.717 3.541 ( 0.227 0.000 0.845) 0.875 3.582 ( 0.664 0.000 -1.728) 1.851 3.583 ( -1.326 0.000 0.502) 1.417 3.597 ( 1.292 0.000 0.750) 1.495 3.619 ( -2.817 0.000 0.750) 2.915 3.624 ( 1.076 0.000 -1.253) 1.652 3.645 ( -3.122 0.000 1.951) 3.681 3.715 ( -1.723 0.000 0.084) 1.725 3.784 ( -1.315 0.000 1.106) 1.718 3.804 ( 3.502 0.000 -0.715) 3.574 3.811 ( -2.787 0.000 1.993) 3.426 3.837 ( 1.067 0.000 0.517) 1.185 3.939 ( 0.396 0.000 -0.592) 0.713 3.968 ( 1.860 0.000 1.422) 2.341 4.067 ( 1.232 0.000 3.632) 3.835 4.088 ( 5.571 0.000 2.048) 5.936 4.126 ( 5.801 0.000 4.438) 7.304 4.591 ( -0.847 0.000 0.002) 0.847 4.627 ( -0.376 0.000 1.190) 1.248 4.721 ( 0.607 0.000 -1.370) 1.499 4.759 ( 1.116 0.000 0.149) 1.126 5.000 ( 0.630 0.000 0.805) 1.022 5.014 ( 1.113 0.000 -1.589) 1.940 5.015 ( 0.263 0.000 0.133) 0.295 5.021 ( 0.843 0.000 -1.145) 1.422 5.441 ( 0.898 0.000 1.764) 1.980 5.452 ( 1.777 0.000 0.654) 1.894 5.469 ( -0.814 0.000 1.671) 1.859 5.499 ( -0.673 0.000 2.557) 2.644 5.530 ( 0.566 0.000 2.495) 2.558 5.540 ( 0.948 0.000 3.633) 3.754 5.626 ( 0.002 0.000 -0.045) 0.045 5.663 ( 0.263 0.000 -0.478) 0.545 5.789 ( 0.046 0.000 1.577) 1.578 5.848 ( 2.890 0.000 2.690) 3.948 6.041 ( -1.686 0.000 -1.536) 2.281 6.047 ( -0.135 0.000 -1.057) 1.066 6.160 ( -0.024 0.000 -0.057) 0.062 6.170 ( 0.230 0.000 1.513) 1.531 6.221 ( -0.053 0.000 0.079) 0.095 6.266 ( 0.311 0.000 2.118) 2.141 6.309 ( -1.890 0.000 -4.354) 4.747 6.365 ( -1.212 0.000 -6.638) 6.748 6.421 ( -2.400 0.000 -3.333) 4.107 6.444 ( -2.431 0.000 -8.943) 9.268 ======================= Grid point 27 (15/50) ======================= q-point: (-0.14 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( -12.153 0.000 7.765) 14.422 0.365 ( -12.317 0.000 10.968) 16.493 0.837 ( -29.662 0.000 21.598) 36.692 1.061 ( -12.839 0.000 11.175) 17.021 1.128 ( -15.074 0.000 11.236) 18.801 1.205 ( -2.300 0.000 -1.563) 2.780 1.310 ( 1.677 0.000 4.768) 5.054 1.373 ( -2.627 0.000 -6.275) 6.802 1.465 ( 2.415 0.000 -1.056) 2.636 1.526 ( -3.491 0.000 1.465) 3.786 1.600 ( -4.232 0.000 6.267) 7.562 1.620 ( 3.680 0.000 0.119) 3.682 1.707 ( 5.410 0.000 0.046) 5.410 1.712 ( -2.110 0.000 1.404) 2.534 1.718 ( 5.585 0.000 0.352) 5.596 1.796 ( 3.620 0.000 1.216) 3.818 1.809 ( -2.977 0.000 2.323) 3.776 1.823 ( 0.477 0.000 -4.847) 4.870 1.887 ( 0.008 0.000 -2.099) 2.099 1.904 ( 3.962 0.000 -1.787) 4.346 1.940 ( -2.306 0.000 2.026) 3.070 1.956 ( 1.996 0.000 3.304) 3.860 2.013 ( -3.541 0.000 -6.765) 7.635 2.020 ( 0.589 0.000 1.766) 1.862 2.034 ( -0.741 0.000 -0.068) 0.744 2.077 ( 0.191 0.000 0.833) 0.854 2.091 ( -2.349 0.000 -7.349) 7.715 2.101 ( -2.669 0.000 0.392) 2.697 2.136 ( 0.169 0.000 0.700) 0.721 2.138 ( 0.905 0.000 2.008) 2.203 2.186 ( 2.410 0.000 3.655) 4.378 2.214 ( 0.824 0.000 -3.276) 3.378 2.234 ( -0.997 0.000 -0.748) 1.246 2.262 ( 1.659 0.000 -4.941) 5.212 2.276 ( 2.086 0.000 1.931) 2.843 2.281 ( 3.268 0.000 -0.855) 3.378 2.310 ( 1.579 0.000 1.189) 1.977 2.316 ( 1.601 0.000 -1.829) 2.431 2.347 ( -1.334 0.000 1.049) 1.697 2.372 ( -2.671 0.000 0.620) 2.742 2.386 ( 3.358 0.000 -2.329) 4.087 2.389 ( -0.995 0.000 -1.408) 1.724 2.401 ( 0.558 0.000 -0.123) 0.572 2.605 ( -1.762 0.000 2.024) 2.684 2.615 ( 3.984 0.000 -9.750) 10.533 2.669 ( 7.859 0.000 -6.115) 9.958 2.681 ( 3.924 0.000 -0.532) 3.960 2.799 ( -0.149 0.000 -3.223) 3.226 2.856 ( 1.917 0.000 0.083) 1.919 2.862 ( 3.863 0.000 -2.004) 4.352 2.904 ( -0.060 0.000 2.383) 2.384 2.956 ( 2.609 0.000 -1.970) 3.269 3.045 ( 4.532 0.000 -3.006) 5.438 3.073 ( 0.611 0.000 -0.077) 0.615 3.097 ( -1.796 0.000 -0.376) 1.835 3.132 ( -2.364 0.000 1.051) 2.587 3.165 ( 2.222 0.000 0.061) 2.223 3.194 ( 0.556 0.000 -0.823) 0.993 3.329 ( 2.657 0.000 1.729) 3.170 3.388 ( 0.446 0.000 -0.533) 0.695 3.457 ( -0.134 0.000 -0.637) 0.650 3.492 ( -0.148 0.000 -0.227) 0.271 3.525 ( -3.307 0.000 0.952) 3.442 3.547 ( -2.007 0.000 0.823) 2.169 3.547 ( 1.662 0.000 -0.120) 1.667 3.575 ( -2.048 0.000 0.193) 2.057 3.585 ( 0.133 0.000 1.195) 1.203 3.600 ( -1.892 0.000 1.872) 2.661 3.629 ( 0.425 0.000 -1.524) 1.582 3.639 ( 1.130 0.000 -0.819) 1.396 3.696 ( -0.279 0.000 -0.039) 0.282 3.750 ( -2.900 0.000 1.447) 3.241 3.769 ( -3.369 0.000 1.837) 3.838 3.859 ( 1.558 0.000 -1.032) 1.869 3.860 ( 3.172 0.000 -1.958) 3.728 3.938 ( -0.050 0.000 -0.472) 0.474 3.991 ( 0.235 0.000 -0.381) 0.448 4.074 ( -2.912 0.000 2.121) 3.603 4.136 ( -0.294 0.000 -4.506) 4.515 4.239 ( 3.528 0.000 -2.309) 4.216 4.575 ( -1.250 0.000 1.026) 1.618 4.647 ( 1.273 0.000 0.805) 1.506 4.714 ( 0.242 0.000 -2.279) 2.292 4.771 ( 0.381 0.000 -0.739) 0.831 5.009 ( -0.941 0.000 1.066) 1.422 5.018 ( 0.733 0.000 -1.636) 1.793 5.019 ( 0.453 0.000 -1.866) 1.920 5.026 ( 0.393 0.000 -0.928) 1.008 5.461 ( 0.796 0.000 -0.609) 1.002 5.467 ( -0.784 0.000 1.997) 2.145 5.472 ( 0.463 0.000 -1.337) 1.415 5.505 ( -0.960 0.000 2.676) 2.843 5.573 ( 1.056 0.000 4.361) 4.487 5.624 ( -0.206 0.000 -0.081) 0.221 5.659 ( 0.407 0.000 -1.305) 1.367 5.670 ( 8.278 0.000 9.545) 12.635 5.801 ( -0.049 0.000 1.357) 1.358 5.911 ( 1.501 0.000 -0.513) 1.587 5.993 ( -1.906 0.000 -1.700) 2.554 6.036 ( -1.846 0.000 -2.723) 3.290 6.144 ( -0.811 0.000 -1.144) 1.402 6.180 ( -0.352 0.000 0.763) 0.841 6.186 ( -2.926 0.000 -4.497) 5.365 6.238 ( -5.096 0.000 -6.523) 8.277 6.281 ( 0.836 0.000 1.745) 1.935 6.317 ( 4.043 0.000 3.396) 5.280 6.379 ( -0.104 0.000 -0.404) 0.417 6.385 ( 1.414 0.000 3.518) 3.792 ======================= Grid point 28 (16/50) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( -1.575 10.871 11.368) 15.808 0.570 ( -14.818 8.677 20.472) 26.720 0.719 ( -8.946 -16.390 5.508) 19.468 0.774 ( -10.641 -17.651 5.015) 21.212 0.970 ( 9.167 24.982 23.863) 35.744 1.153 ( -7.737 11.980 6.454) 15.654 1.338 ( -6.834 -7.761 2.060) 10.544 1.375 ( 8.028 -18.060 13.278) 23.810 1.487 ( 1.603 4.663 3.751) 6.195 1.503 ( -3.187 11.578 -3.259) 12.443 1.578 ( 3.469 -1.539 4.113) 5.596 1.627 ( 2.224 -2.590 2.195) 4.058 1.682 ( 0.615 -5.310 0.135) 5.347 1.734 ( -1.306 -8.397 -3.327) 9.126 1.755 ( 0.450 1.950 -2.340) 3.079 1.769 ( -0.577 -0.474 -3.553) 3.630 1.791 ( -0.444 2.959 -1.973) 3.584 1.810 ( 1.595 -0.339 0.693) 1.772 1.869 ( -1.084 -0.658 2.732) 3.012 1.924 ( -3.450 -2.997 -1.530) 4.819 1.943 ( 0.456 -1.626 -1.140) 2.037 1.950 ( 0.282 -1.551 -4.969) 5.213 1.987 ( 0.043 1.766 -0.681) 1.893 2.027 ( -0.680 0.698 -0.537) 1.112 2.031 ( -2.162 -1.546 -2.199) 3.450 2.069 ( -0.646 -1.802 0.132) 1.919 2.082 ( -0.217 2.318 -2.477) 3.399 2.102 ( -0.885 0.595 -2.244) 2.485 2.111 ( 0.605 2.321 -0.168) 2.404 2.148 ( -0.655 -0.532 -0.691) 1.091 2.178 ( -1.001 3.830 2.367) 4.612 2.224 ( 0.605 0.341 -1.171) 1.362 2.241 ( -1.601 1.180 -2.805) 3.438 2.263 ( 2.029 -1.391 4.879) 5.464 2.270 ( -1.778 1.006 -2.438) 3.181 2.296 ( -0.249 -0.674 -0.250) 0.761 2.303 ( 0.620 -1.640 -0.379) 1.794 2.323 ( -0.620 -1.116 -0.146) 1.285 2.387 ( -0.184 4.685 1.715) 4.992 2.399 ( 2.266 1.830 -0.097) 2.915 2.435 ( 5.661 1.501 0.551) 5.882 2.459 ( 3.217 -0.791 1.857) 3.798 2.484 ( 1.793 7.952 3.704) 8.954 2.600 ( 1.139 -1.377 3.680) 4.091 2.692 ( 5.747 0.712 1.639) 6.018 2.710 ( 2.016 -2.688 0.523) 3.400 2.764 ( 4.077 -2.446 2.327) 5.294 2.789 ( 0.647 -6.529 0.598) 6.588 2.890 ( 5.204 3.984 -0.425) 6.568 2.920 ( 4.856 0.603 -0.578) 4.927 2.961 ( 4.992 -1.148 0.625) 5.161 3.007 ( 1.937 0.828 -1.570) 2.627 3.017 ( 6.065 -2.388 -0.787) 6.565 3.087 ( 1.764 -2.437 -1.520) 3.371 3.098 ( -0.743 0.169 -1.550) 1.727 3.124 ( 0.604 -0.750 0.413) 1.048 3.258 ( 3.203 7.216 1.261) 7.995 3.295 ( 0.932 4.909 -1.819) 5.318 3.360 ( 0.402 -3.581 -0.663) 3.664 3.375 ( 2.915 -3.937 -0.406) 4.916 3.444 ( -0.762 0.279 -2.477) 2.606 3.457 ( -1.383 -1.264 -2.556) 3.169 3.494 ( -1.872 0.952 0.855) 2.268 3.514 ( -1.402 -1.261 0.594) 1.977 3.537 ( -3.138 0.490 1.869) 3.685 3.546 ( -2.349 -0.366 1.350) 2.734 3.580 ( -0.419 1.547 -0.682) 1.741 3.604 ( 1.299 -1.114 -2.137) 2.738 3.616 ( -0.771 0.490 -0.233) 0.943 3.644 ( 0.877 -2.230 -0.796) 2.525 3.707 ( -1.247 2.297 0.439) 2.651 3.726 ( -1.653 0.416 0.446) 1.762 3.812 ( 3.476 3.336 -4.874) 6.853 3.850 ( 2.757 -1.776 -3.615) 4.881 3.924 ( 0.700 1.823 -0.695) 2.073 3.943 ( 0.495 -0.095 0.049) 0.506 3.991 ( -3.057 0.943 -0.588) 3.253 3.999 ( -3.837 -0.010 -0.163) 3.840 4.036 ( -8.638 5.546 -5.869) 11.824 4.138 ( -4.843 -4.417 -9.208) 11.303 4.578 ( -0.913 1.418 1.468) 2.236 4.609 ( -1.582 -2.071 1.113) 2.834 4.726 ( 0.152 1.888 -2.915) 3.476 4.752 ( -0.236 -1.093 -2.189) 2.458 4.981 ( -1.777 0.306 -0.091) 1.805 4.988 ( -1.328 -0.488 0.252) 1.437 5.021 ( 0.466 0.202 -1.156) 1.263 5.023 ( 0.350 -0.034 -1.090) 1.145 5.451 ( -0.224 0.207 -1.350) 1.384 5.458 ( 0.162 -0.502 -1.439) 1.533 5.479 ( -1.240 0.929 0.744) 1.718 5.491 ( -1.566 -0.507 1.040) 1.947 5.608 ( -1.518 0.384 4.221) 4.502 5.617 ( -0.739 -0.631 3.010) 3.163 5.671 ( 0.364 0.319 -0.596) 0.768 5.676 ( -2.947 -0.305 -0.342) 2.982 5.830 ( -2.899 2.354 -1.858) 4.171 5.862 ( -3.115 -1.290 -3.328) 4.737 5.978 ( 1.680 0.493 -1.028) 2.030 5.987 ( 2.449 -0.509 -1.111) 2.737 6.144 ( 0.292 0.735 -0.214) 0.820 6.160 ( 0.013 -0.981 -0.219) 1.005 6.189 ( 0.596 0.378 -0.301) 0.768 6.193 ( 0.047 -0.149 -0.070) 0.171 6.339 ( 1.952 0.777 1.699) 2.702 6.356 ( 1.811 -1.115 0.436) 2.171 6.455 ( 4.157 2.959 6.705) 8.426 6.537 ( 8.011 -6.915 7.115) 12.752 ======================= Grid point 29 (17/50) ======================= q-point: ( 0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.603 ( 5.504 4.701 13.590) 15.398 0.666 ( 11.964 -5.435 17.151) 21.606 0.706 ( 3.461 -12.056 5.251) 13.597 0.748 ( 3.434 -9.503 8.623) 13.284 1.109 ( -0.375 10.951 2.228) 11.182 1.243 ( -2.509 2.978 -2.487) 4.621 1.340 ( 9.375 14.668 15.547) 23.340 1.410 ( 0.091 9.668 -0.689) 9.693 1.541 ( 2.695 -1.739 1.411) 3.504 1.584 ( 1.949 -0.741 2.288) 3.095 1.616 ( -1.817 -6.072 -2.912) 6.975 1.647 ( -2.328 0.823 0.489) 2.517 1.666 ( -3.382 0.451 -0.418) 3.437 1.697 ( 1.643 -6.025 0.434) 6.260 1.736 ( -2.698 1.283 -0.500) 3.030 1.766 ( 1.115 -2.442 -1.171) 2.929 1.779 ( 1.575 -2.741 1.035) 3.327 1.809 ( -0.954 -2.657 0.576) 2.881 1.853 ( -2.439 -3.692 -2.995) 5.343 1.887 ( 2.515 -6.270 -0.339) 6.764 1.903 ( -1.931 -1.483 1.006) 2.635 1.914 ( -1.219 -1.906 -0.989) 2.469 1.968 ( -0.392 1.393 -1.659) 2.202 1.992 ( -1.718 -1.184 -0.777) 2.226 2.024 ( 0.150 2.633 0.109) 2.639 2.054 ( -0.769 1.373 0.008) 1.574 2.061 ( 0.315 -1.351 -1.765) 2.245 2.078 ( -0.638 -0.096 -1.784) 1.898 2.137 ( 0.590 3.063 -0.059) 3.120 2.149 ( 1.335 2.610 -1.039) 3.111 2.172 ( -0.944 -1.205 -0.364) 1.573 2.199 ( -0.178 -1.802 0.128) 1.815 2.235 ( 0.722 1.704 -0.500) 1.917 2.248 ( -0.080 0.416 0.187) 0.463 2.290 ( 2.041 0.316 0.436) 2.111 2.304 ( -0.000 0.776 -0.391) 0.869 2.345 ( 2.425 -0.348 4.166) 4.833 2.363 ( 1.283 -0.031 3.355) 3.592 2.391 ( 0.831 0.026 -0.542) 0.992 2.409 ( -1.048 -1.543 -0.948) 2.092 2.495 ( 0.834 3.503 3.057) 4.723 2.515 ( 2.242 0.220 0.223) 2.264 2.575 ( 3.670 7.131 5.766) 9.877 2.642 ( 0.493 0.549 3.753) 3.824 2.724 ( 0.182 -2.011 0.761) 2.158 2.769 ( 0.521 -4.613 1.692) 4.942 2.831 ( 3.035 1.909 3.023) 4.689 2.871 ( 3.455 -2.736 3.185) 5.438 2.950 ( -0.092 3.652 -1.742) 4.047 2.989 ( 1.352 -0.455 0.866) 1.669 2.997 ( -1.746 -0.845 -0.122) 1.944 3.026 ( 3.232 -0.524 0.052) 3.275 3.069 ( -1.868 1.826 0.352) 2.636 3.093 ( 0.733 -0.430 1.078) 1.373 3.129 ( 3.292 -1.360 1.982) 4.076 3.170 ( 1.134 -3.222 1.031) 3.568 3.268 ( -1.486 2.197 -0.633) 2.726 3.298 ( -1.131 2.700 -1.203) 3.164 3.321 ( -0.549 0.377 -1.557) 1.694 3.385 ( -1.622 -2.517 -2.451) 3.870 3.427 ( 0.828 0.476 -3.002) 3.150 3.435 ( 1.501 -0.480 -4.990) 5.233 3.478 ( 0.710 1.136 -0.400) 1.398 3.493 ( -1.321 0.106 -1.175) 1.771 3.508 ( -1.501 0.005 0.103) 1.505 3.522 ( -1.030 -1.724 1.401) 2.449 3.575 ( 0.571 0.423 -0.434) 0.833 3.597 ( -0.022 -1.711 -0.968) 1.966 3.616 ( 0.682 1.549 1.880) 2.529 3.652 ( 0.942 -2.457 0.999) 2.815 3.691 ( -0.400 1.901 -1.038) 2.202 3.709 ( -0.328 -0.201 -0.623) 0.732 3.808 ( -0.737 4.834 -5.962) 7.711 3.849 ( -1.001 -0.203 -4.744) 4.853 3.869 ( -3.479 1.376 -0.773) 3.820 3.900 ( -5.633 -1.008 0.963) 5.803 3.932 ( -0.954 0.173 -0.787) 1.249 3.941 ( -2.037 -0.963 -0.226) 2.265 3.955 ( -0.165 0.816 -2.092) 2.251 3.983 ( -2.462 -1.977 -6.579) 7.297 4.581 ( 0.245 0.812 1.085) 1.378 4.598 ( -0.315 -1.029 0.925) 1.419 4.714 ( 0.607 1.179 -2.010) 2.408 4.732 ( -0.159 -0.772 -1.947) 2.101 4.965 ( -0.158 0.455 -0.049) 0.484 4.977 ( -0.075 -0.898 -0.105) 0.907 5.018 ( 0.258 0.397 -1.259) 1.345 5.021 ( 0.340 0.010 -1.181) 1.230 5.431 ( -0.778 0.517 -1.042) 1.400 5.443 ( -0.689 -0.775 -1.019) 1.454 5.463 ( -0.714 0.528 -0.044) 0.889 5.469 ( -0.990 -0.132 -0.093) 1.003 5.587 ( -3.144 0.398 3.079) 4.419 5.594 ( -3.508 -0.469 2.849) 4.544 5.654 ( -0.200 1.369 0.865) 1.632 5.675 ( -0.146 -0.948 0.426) 1.049 5.793 ( -1.409 0.646 0.390) 1.598 5.807 ( -1.341 -0.882 -0.195) 1.617 6.017 ( 2.796 0.648 -0.896) 3.007 6.027 ( 2.575 -0.531 -1.118) 2.857 6.146 ( 0.030 0.353 -0.219) 0.416 6.153 ( -0.342 -0.366 -0.320) 0.595 6.191 ( 0.588 0.525 -0.970) 1.250 6.201 ( 0.707 -0.484 -0.693) 1.102 6.384 ( 2.087 0.546 0.930) 2.349 6.396 ( 2.237 -0.715 0.545) 2.411 6.556 ( 1.762 3.774 4.603) 6.208 6.640 ( 0.638 -5.444 2.057) 5.855 ======================= Grid point 30 (18/50) ======================= q-point: ( 0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.870 ( 15.009 1.592 4.695) 15.806 0.886 ( 9.573 -0.400 7.979) 12.469 0.962 ( 14.576 -2.675 2.518) 15.031 1.029 ( 13.383 -9.593 13.705) 21.423 1.164 ( 5.188 7.787 -0.951) 9.405 1.213 ( 3.462 8.187 -4.267) 9.860 1.371 ( 2.899 -3.220 -3.464) 5.548 1.478 ( -2.842 -4.310 -5.958) 7.884 1.492 ( -4.991 2.616 -1.780) 5.910 1.560 ( -3.634 -2.300 -6.634) 7.906 1.573 ( -2.147 1.042 0.844) 2.531 1.579 ( -6.632 -2.978 -5.323) 9.011 1.675 ( 0.054 5.091 -4.287) 6.656 1.704 ( 4.642 3.239 4.068) 6.970 1.727 ( 2.022 0.479 -1.281) 2.441 1.757 ( 1.553 0.169 4.321) 4.595 1.784 ( -1.474 -0.200 1.874) 2.393 1.789 ( -2.817 1.161 -2.351) 3.849 1.819 ( -0.667 -5.146 -1.800) 5.493 1.839 ( -3.267 -2.294 0.931) 4.100 1.899 ( -0.994 1.532 -0.318) 1.854 1.941 ( 0.356 -0.049 0.716) 0.801 1.946 ( -0.597 0.547 -1.527) 1.728 2.008 ( 0.881 -0.317 -0.914) 1.308 2.024 ( 1.770 -1.120 -1.111) 2.372 2.032 ( -0.333 -1.043 -1.680) 2.005 2.079 ( 0.692 2.625 0.999) 2.892 2.105 ( 3.124 -1.650 3.314) 4.844 2.136 ( 0.584 3.534 -2.505) 4.371 2.170 ( -0.840 -0.738 0.738) 1.340 2.184 ( 1.284 -1.687 0.399) 2.157 2.207 ( 1.934 -0.033 1.266) 2.312 2.226 ( -1.151 -0.098 -0.181) 1.169 2.247 ( 1.355 -2.622 2.439) 3.829 2.300 ( -0.341 3.544 0.578) 3.607 2.354 ( -1.765 -1.597 1.253) 2.690 2.370 ( 1.934 0.075 2.093) 2.851 2.382 ( 0.003 -1.020 2.904) 3.078 2.411 ( 0.390 -1.539 1.234) 2.011 2.417 ( 0.902 -0.724 0.751) 1.379 2.527 ( 0.166 1.432 0.823) 1.660 2.539 ( 0.678 -0.311 0.617) 0.968 2.674 ( 0.542 1.588 3.619) 3.989 2.688 ( 3.587 3.574 6.172) 7.984 2.729 ( -2.314 -0.670 1.473) 2.824 2.776 ( -0.504 -2.144 0.149) 2.207 2.856 ( -7.765 0.155 0.120) 7.767 2.864 ( -2.942 0.053 -0.623) 3.008 2.896 ( -1.093 0.491 -1.384) 1.831 2.911 ( -2.454 -1.310 -1.110) 2.995 3.003 ( -3.039 4.485 -4.066) 6.774 3.036 ( -1.106 1.536 2.572) 3.194 3.071 ( -2.244 -2.028 1.877) 3.560 3.078 ( 0.101 -3.400 -0.811) 3.496 3.148 ( -2.272 0.523 3.796) 4.455 3.170 ( -2.027 -1.242 4.674) 5.244 3.263 ( 0.025 0.704 -2.052) 2.170 3.271 ( 0.606 -0.148 0.455) 0.772 3.304 ( -1.591 2.113 -1.258) 2.929 3.333 ( -1.504 -0.968 0.058) 1.789 3.407 ( -1.369 -0.613 -1.242) 1.948 3.416 ( -0.362 -1.266 -2.162) 2.532 3.463 ( -0.221 1.067 -2.119) 2.382 3.482 ( 1.382 -1.177 -1.897) 2.626 3.521 ( 1.910 0.867 -0.623) 2.188 3.537 ( 1.334 -0.851 -0.512) 1.664 3.586 ( 1.106 0.640 -0.244) 1.301 3.597 ( 1.006 -0.550 -0.677) 1.331 3.661 ( 1.116 1.624 1.121) 2.267 3.669 ( -1.073 1.386 0.071) 1.755 3.696 ( 2.072 -0.817 -0.676) 2.327 3.703 ( 0.939 -1.233 -2.396) 2.853 3.771 ( 1.125 0.696 0.821) 1.557 3.779 ( -1.364 -0.240 -0.312) 1.420 3.818 ( -0.855 1.652 -0.274) 1.880 3.846 ( -0.386 -1.334 -1.172) 1.817 3.906 ( -1.320 0.383 -0.577) 1.491 3.915 ( -0.647 -0.468 -1.072) 1.337 3.941 ( -0.832 0.228 -1.663) 1.873 3.946 ( -0.237 -0.300 -1.105) 1.169 4.596 ( 0.694 0.548 0.130) 0.894 4.608 ( 0.754 -0.770 0.318) 1.124 4.714 ( 0.517 0.465 -1.182) 1.371 4.721 ( 0.232 -0.218 -1.269) 1.309 4.970 ( 0.675 0.310 -0.094) 0.749 4.979 ( 0.424 -0.749 -0.373) 0.938 5.012 ( 0.174 0.535 -1.616) 1.711 5.017 ( 0.369 -0.117 -1.625) 1.670 5.412 ( -0.975 0.508 0.208) 1.119 5.424 ( -1.029 -0.861 0.188) 1.355 5.455 ( -0.169 0.373 0.103) 0.422 5.458 ( -0.298 -0.025 0.410) 0.508 5.556 ( -2.240 0.039 1.944) 2.966 5.556 ( -2.536 -0.004 1.787) 3.102 5.651 ( -0.922 0.708 0.927) 1.487 5.664 ( -1.344 -0.664 0.621) 1.623 5.786 ( -0.099 0.571 0.975) 1.134 5.798 ( -0.434 -0.664 0.844) 1.158 6.052 ( 1.877 0.340 -1.188) 2.247 6.057 ( 1.671 -0.261 -1.165) 2.053 6.143 ( -0.129 0.218 -0.168) 0.304 6.147 ( -0.072 -0.259 -0.134) 0.300 6.199 ( 1.049 0.560 -0.937) 1.514 6.209 ( 0.873 -0.517 -0.694) 1.229 6.420 ( 1.514 0.811 -0.489) 1.786 6.436 ( 2.096 -0.962 -0.715) 2.414 6.584 ( -0.791 2.311 1.467) 2.849 6.629 ( -2.084 -2.552 0.034) 3.295 ======================= Grid point 31 (19/50) ======================= q-point: ( 0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 3.092 2.153 2.401) 4.468 1.120 ( 2.259 -3.114 1.164) 4.019 1.186 ( 8.506 1.103 -0.635) 8.601 1.219 ( 5.208 -2.828 -1.336) 6.075 1.257 ( 1.742 4.987 -3.528) 6.352 1.314 ( 10.007 0.967 -3.250) 10.566 1.390 ( -0.850 -0.559 -1.717) 1.995 1.419 ( 2.619 3.366 1.923) 4.678 1.453 ( 3.839 -0.346 -4.071) 5.606 1.486 ( 4.766 -2.820 4.348) 7.041 1.514 ( 4.443 -3.534 -5.791) 8.110 1.552 ( 1.581 -3.795 -0.323) 4.124 1.631 ( -0.411 5.012 -7.904) 9.368 1.644 ( -6.559 2.249 -0.940) 6.997 1.699 ( -1.904 -1.040 -4.646) 5.127 1.723 ( -8.117 -2.370 1.294) 8.555 1.771 ( 1.347 0.833 -0.715) 1.738 1.796 ( 1.080 1.089 -0.064) 1.535 1.815 ( 0.715 -0.778 -0.292) 1.096 1.854 ( 2.479 -1.259 2.561) 3.780 1.875 ( -0.043 -0.242 -1.837) 1.853 1.927 ( -1.596 -3.905 -3.585) 5.536 1.964 ( 1.927 1.911 0.132) 2.717 1.991 ( 1.105 -0.441 -1.734) 2.103 2.033 ( -0.162 0.571 -0.617) 0.856 2.057 ( -0.323 0.665 0.757) 1.058 2.062 ( 0.794 1.049 -3.160) 3.423 2.128 ( 0.346 -1.613 -2.447) 2.952 2.141 ( -0.140 2.272 2.518) 3.394 2.168 ( 1.495 3.033 -2.212) 4.040 2.188 ( 0.386 1.036 -4.610) 4.741 2.214 ( -0.932 -2.456 -2.875) 3.894 2.251 ( -0.227 0.567 1.301) 1.438 2.281 ( -1.209 0.115 1.640) 2.041 2.314 ( -2.042 -1.846 1.621) 3.195 2.332 ( -0.095 -0.822 2.775) 2.896 2.359 ( -1.860 1.855 3.351) 4.259 2.389 ( -2.622 -0.358 -0.390) 2.675 2.411 ( -6.778 1.567 1.521) 7.121 2.430 ( -1.500 0.518 0.426) 1.644 2.508 ( 0.315 0.486 1.320) 1.441 2.524 ( -2.255 -1.339 0.711) 2.718 2.622 ( -7.801 -1.240 0.096) 7.899 2.660 ( -1.436 -4.493 3.615) 5.943 2.758 ( 2.380 1.398 -1.614) 3.197 2.775 ( 0.490 0.928 -2.478) 2.691 2.791 ( -1.714 -0.451 -1.048) 2.059 2.807 ( -0.936 -0.708 2.778) 3.016 2.847 ( -4.170 2.905 -0.665) 5.125 2.885 ( -0.912 -1.478 -0.918) 1.965 2.927 ( -1.558 2.620 -0.876) 3.172 2.984 ( -3.610 -3.006 -2.772) 5.455 2.999 ( -2.906 3.309 0.743) 4.466 3.073 ( -3.174 -3.815 1.436) 5.166 3.160 ( -1.584 2.226 3.478) 4.422 3.178 ( -0.312 0.045 5.339) 5.348 3.241 ( 0.024 1.735 -2.552) 3.086 3.266 ( -0.873 -0.125 -2.774) 2.911 3.285 ( 0.059 0.406 -0.359) 0.545 3.315 ( -0.759 -2.163 0.142) 2.297 3.388 ( -0.165 0.097 1.601) 1.613 3.400 ( -0.226 -1.077 0.659) 1.282 3.462 ( 0.556 2.715 -0.380) 2.797 3.507 ( 1.336 -2.160 -0.180) 2.546 3.529 ( 0.696 0.126 -0.514) 0.875 3.542 ( 0.592 -1.021 -1.010) 1.554 3.601 ( 0.296 1.966 -0.549) 2.062 3.620 ( 1.250 0.154 -0.185) 1.273 3.663 ( 2.009 -0.179 -0.689) 2.131 3.665 ( -0.010 -0.266 0.473) 0.542 3.710 ( 0.794 0.521 -0.148) 0.961 3.723 ( 1.285 -0.869 -0.025) 1.551 3.808 ( 0.710 0.698 0.724) 1.232 3.822 ( 1.659 -0.858 0.556) 1.949 3.849 ( 1.853 0.705 2.216) 2.973 3.871 ( 0.087 -1.422 1.869) 2.350 3.885 ( 2.667 1.267 1.148) 3.168 3.897 ( 0.734 -0.106 0.452) 0.868 3.925 ( 0.282 0.711 0.432) 0.878 3.938 ( 0.126 -0.631 -0.086) 0.649 4.605 ( 0.492 0.762 -0.377) 0.982 4.622 ( 0.524 -1.022 0.005) 1.149 4.714 ( 0.495 0.544 -0.802) 1.088 4.723 ( 0.609 -0.333 -0.555) 0.889 4.984 ( 0.883 -0.072 -0.164) 0.901 4.985 ( 0.450 -0.163 -0.054) 0.482 5.004 ( 0.541 0.596 -1.842) 2.010 5.013 ( 0.666 -0.350 -1.938) 2.079 5.403 ( -0.529 0.327 1.388) 1.521 5.411 ( -0.935 -0.523 1.403) 1.765 5.460 ( 0.184 0.356 1.231) 1.294 5.466 ( 0.222 -0.237 1.628) 1.660 5.531 ( -1.399 0.244 0.984) 1.728 5.535 ( -1.328 -0.167 1.073) 1.716 5.640 ( -0.649 0.463 0.322) 0.860 5.648 ( -0.653 -0.391 0.401) 0.861 5.791 ( -0.305 0.133 0.881) 0.942 5.795 ( -0.598 -0.237 0.917) 1.120 6.065 ( 0.823 0.296 -1.511) 1.746 6.071 ( 0.857 -0.258 -1.314) 1.590 6.143 ( 0.190 0.267 0.183) 0.375 6.148 ( 0.184 -0.300 0.184) 0.397 6.211 ( 0.850 0.564 -0.591) 1.179 6.222 ( 0.950 -0.575 -0.272) 1.143 6.424 ( 0.152 1.298 -2.520) 2.839 6.450 ( 0.769 -1.536 -2.860) 3.336 6.559 ( -1.893 1.199 -1.422) 2.654 6.579 ( -2.444 -1.053 -2.104) 3.393 ======================= Grid point 32 (20/50) ======================= q-point: (-0.43 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -14.803 -2.063 -5.698) 15.996 0.965 ( -10.277 -8.240 1.162) 13.223 1.252 ( -6.204 9.412 -3.383) 11.769 1.298 ( 0.783 2.647 2.765) 3.907 1.328 ( 3.252 0.792 -3.232) 4.653 1.371 ( 0.834 0.631 -2.831) 3.018 1.416 ( 3.036 -0.799 -1.275) 3.389 1.439 ( -3.439 0.056 3.159) 4.670 1.495 ( 1.540 0.819 2.490) 3.040 1.511 ( -2.383 -1.316 2.142) 3.464 1.559 ( 4.148 0.041 -4.826) 6.364 1.592 ( 1.896 -3.020 -3.350) 4.893 1.639 ( 5.337 1.179 -3.968) 6.754 1.653 ( 3.460 2.019 0.454) 4.032 1.680 ( -0.744 -1.990 -4.662) 5.123 1.703 ( 3.620 -0.555 1.565) 3.982 1.746 ( -2.546 2.540 -0.312) 3.609 1.803 ( 4.423 -1.540 -2.044) 5.110 1.846 ( 2.096 2.541 0.106) 3.296 1.863 ( 0.758 3.222 0.188) 3.316 1.908 ( 3.887 -2.568 1.982) 5.063 1.915 ( 0.729 -1.678 -0.285) 1.852 1.948 ( -3.093 1.518 -1.416) 3.725 2.006 ( -0.716 -1.656 -0.675) 1.927 2.027 ( -1.203 0.866 0.150) 1.490 2.049 ( 1.914 0.198 -0.063) 1.926 2.072 ( 0.915 -2.230 0.192) 2.418 2.105 ( -1.876 -4.886 -0.370) 5.247 2.144 ( -1.872 1.676 0.090) 2.514 2.159 ( 2.678 1.878 -4.613) 5.655 2.169 ( -1.093 -0.760 0.295) 1.364 2.197 ( -0.236 -2.927 -4.988) 5.788 2.217 ( 1.211 0.401 -5.839) 5.976 2.237 ( 0.560 -0.563 -1.421) 1.627 2.253 ( -2.808 -0.428 0.287) 2.855 2.276 ( -6.694 -0.757 1.448) 6.891 2.295 ( 0.382 -1.573 -0.686) 1.758 2.312 ( -1.873 -1.598 -1.078) 2.688 2.350 ( -2.653 2.356 -0.394) 3.570 2.393 ( -1.288 -2.196 -0.640) 2.624 2.470 ( -3.816 1.912 -0.432) 4.290 2.499 ( -3.834 -1.139 0.816) 4.082 2.649 ( -6.806 8.693 -0.467) 11.050 2.666 ( 5.397 4.381 4.199) 8.121 2.714 ( -2.016 1.605 -6.749) 7.224 2.736 ( -2.004 0.256 -3.323) 3.888 2.745 ( -0.399 -0.957 0.676) 1.237 2.758 ( -2.485 -0.252 -2.571) 3.584 2.796 ( -1.522 -2.008 -0.071) 2.520 2.871 ( -3.785 -5.796 0.816) 6.971 2.926 ( -0.000 0.840 -0.798) 1.159 2.956 ( 3.189 0.225 -0.362) 3.218 2.981 ( 1.471 0.738 -3.571) 3.932 3.003 ( -3.379 -2.640 -1.879) 4.682 3.143 ( -2.173 1.396 1.143) 2.825 3.185 ( -1.960 -1.859 2.421) 3.628 3.215 ( -0.716 2.121 -2.532) 3.380 3.242 ( -0.023 0.720 -0.991) 1.225 3.299 ( 0.657 -0.819 -0.465) 1.149 3.315 ( 1.274 -1.187 1.681) 2.420 3.412 ( 1.396 1.118 1.790) 2.530 3.430 ( 1.686 -0.778 2.733) 3.304 3.474 ( 0.771 2.016 0.917) 2.345 3.518 ( 0.555 -2.670 -0.104) 2.729 3.553 ( 1.248 0.316 0.766) 1.498 3.561 ( 1.749 -0.471 -0.095) 1.813 3.605 ( 0.402 1.795 -0.209) 1.851 3.628 ( -0.037 -0.489 -0.623) 0.793 3.671 ( -0.357 1.767 0.222) 1.817 3.697 ( -1.140 -0.530 0.799) 1.490 3.716 ( 2.152 0.387 -0.082) 2.188 3.736 ( 0.120 -0.868 0.408) 0.966 3.814 ( -1.997 -0.171 0.532) 2.073 3.821 ( -0.711 -0.606 0.720) 1.180 3.838 ( -0.653 1.371 0.946) 1.789 3.881 ( 1.251 -2.837 1.077) 3.283 3.950 ( 1.822 1.029 1.905) 2.830 3.961 ( 2.441 -0.350 2.860) 3.776 4.002 ( 5.252 0.831 3.615) 6.430 4.004 ( 5.673 0.479 3.473) 6.668 4.606 ( -0.131 0.765 -0.298) 0.832 4.623 ( -0.423 -1.049 0.161) 1.143 4.722 ( 0.879 0.744 -0.586) 1.292 4.734 ( 0.959 -0.507 -0.171) 1.098 4.992 ( 0.413 0.336 0.100) 0.542 4.999 ( 0.673 -0.462 0.181) 0.836 5.007 ( 1.093 0.422 -1.574) 1.962 5.014 ( 0.942 -0.332 -1.714) 1.984 5.415 ( 0.277 -0.023 1.953) 1.973 5.416 ( 0.401 -0.202 1.494) 1.560 5.473 ( -0.165 0.573 1.995) 2.083 5.483 ( -0.129 -0.505 2.435) 2.490 5.522 ( -0.493 0.292 1.040) 1.188 5.526 ( -0.535 -0.148 1.059) 1.196 5.636 ( 0.197 0.829 -0.107) 0.858 5.649 ( 0.560 -0.559 0.127) 0.801 5.788 ( -0.505 0.435 1.174) 1.350 5.798 ( 0.107 -0.656 1.325) 1.482 6.061 ( 0.007 0.341 -1.565) 1.601 6.067 ( -0.133 -0.336 -1.488) 1.531 6.152 ( 0.487 0.230 0.601) 0.807 6.157 ( 0.363 -0.214 0.617) 0.747 6.221 ( 0.519 0.845 0.013) 0.991 6.238 ( 0.600 -0.959 0.624) 1.292 6.389 ( -1.244 1.608 -4.336) 4.789 6.419 ( -1.134 -1.615 -4.751) 5.145 6.500 ( -2.465 0.854 -3.819) 4.625 6.517 ( -1.885 -0.919 -4.862) 5.295 ======================= Grid point 33 (21/50) ======================= q-point: (-0.29 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -13.046 7.821 2.115) 15.358 0.861 ( -4.404 -16.914 7.905) 19.182 0.956 ( -16.270 16.485 -8.166) 24.559 1.180 ( -16.116 -8.287 5.322) 18.887 1.262 ( -18.485 4.598 7.864) 20.608 1.332 ( -0.156 0.568 -2.439) 2.509 1.388 ( -7.955 5.764 6.228) 11.632 1.486 ( 0.768 -4.420 0.161) 4.489 1.499 ( -2.878 -4.011 1.037) 5.044 1.523 ( 3.143 -1.468 3.250) 4.753 1.542 ( 0.809 2.330 -6.035) 6.519 1.588 ( -1.343 -0.228 -1.421) 1.968 1.619 ( -2.269 2.568 0.561) 3.472 1.635 ( -0.407 -2.206 -2.602) 3.436 1.692 ( -1.008 2.087 0.342) 2.343 1.754 ( 4.341 0.740 -0.208) 4.409 1.761 ( 4.649 -0.951 -1.595) 5.006 1.840 ( 3.049 0.359 -4.145) 5.158 1.860 ( -1.079 -4.258 1.454) 4.627 1.892 ( 1.983 -0.074 -1.865) 2.724 1.914 ( -0.541 -3.314 1.604) 3.721 1.944 ( 2.440 0.083 -1.783) 3.023 1.985 ( -0.403 0.185 2.027) 2.075 2.026 ( 0.793 -0.572 1.706) 1.966 2.036 ( 3.425 -0.274 2.718) 4.381 2.068 ( 3.731 -2.463 0.530) 4.502 2.090 ( -0.486 -0.047 0.891) 1.015 2.103 ( 0.398 -2.163 1.727) 2.797 2.143 ( 1.154 2.651 -0.865) 3.018 2.182 ( 0.747 0.333 -2.726) 2.846 2.187 ( 0.879 1.132 -2.334) 2.739 2.207 ( 1.101 0.046 -0.827) 1.378 2.218 ( 2.444 -0.112 -0.658) 2.533 2.227 ( 5.047 -0.936 -4.928) 7.115 2.236 ( 2.156 0.408 -3.136) 3.828 2.255 ( 3.841 -1.116 -3.923) 5.602 2.288 ( 1.412 2.472 -3.278) 4.342 2.326 ( 1.860 0.619 -0.740) 2.095 2.348 ( 0.991 -1.419 -0.891) 1.947 2.367 ( -0.007 -1.686 -0.071) 1.687 2.404 ( -2.867 4.240 1.119) 5.239 2.436 ( -4.931 -0.070 3.453) 6.020 2.511 ( -6.895 10.448 1.068) 12.563 2.620 ( -2.109 -0.063 -5.083) 5.504 2.648 ( -0.644 0.492 -6.906) 6.953 2.663 ( -3.186 2.703 -2.804) 5.032 2.697 ( -0.996 -3.855 -5.398) 6.708 2.790 ( 0.276 0.027 -2.023) 2.042 2.800 ( -0.968 -6.623 3.210) 7.423 2.834 ( 2.043 -0.497 -0.012) 2.102 2.902 ( -0.868 -0.317 -2.334) 2.510 2.932 ( 0.190 -4.295 -5.070) 6.647 2.968 ( 0.815 3.190 -4.313) 5.426 3.020 ( 2.608 -2.125 -2.264) 4.055 3.126 ( -0.620 0.896 1.565) 1.907 3.163 ( -2.574 -2.181 2.191) 4.023 3.196 ( 1.052 4.532 -2.546) 5.304 3.245 ( 1.641 1.364 -0.994) 2.354 3.300 ( 0.041 0.557 -0.811) 0.985 3.357 ( 1.316 -2.858 0.611) 3.205 3.452 ( 1.324 1.376 0.847) 2.089 3.481 ( 1.805 -1.326 1.326) 2.603 3.504 ( 1.714 1.854 1.776) 3.087 3.534 ( 0.794 -1.255 0.757) 1.667 3.575 ( 0.678 0.284 0.169) 0.754 3.582 ( -0.999 -0.254 1.239) 1.612 3.602 ( -0.270 0.850 -0.371) 0.966 3.617 ( 0.299 -0.640 -1.390) 1.559 3.647 ( -2.353 1.538 0.322) 2.829 3.659 ( -3.027 0.638 1.350) 3.375 3.730 ( -0.421 1.545 0.275) 1.624 3.759 ( 0.321 -1.791 0.591) 1.913 3.794 ( 0.110 -0.314 0.548) 0.642 3.803 ( -0.981 -1.236 1.421) 2.124 3.865 ( 2.022 2.650 0.317) 3.349 3.910 ( 1.425 -2.479 0.059) 2.860 3.996 ( 1.550 2.163 1.710) 3.163 4.034 ( 2.174 -2.368 3.083) 4.455 4.113 ( 4.548 1.581 2.132) 5.266 4.129 ( 5.258 -0.113 3.379) 6.251 4.597 ( -0.829 0.782 0.331) 1.186 4.615 ( -0.618 -1.155 0.913) 1.597 4.734 ( 0.944 1.247 -0.955) 1.832 4.752 ( 1.129 -0.782 -0.206) 1.389 5.002 ( 0.501 0.258 0.463) 0.729 5.008 ( 0.440 -0.399 -0.369) 0.699 5.018 ( 0.793 0.153 -0.625) 1.021 5.020 ( 0.850 -0.111 -0.923) 1.259 5.437 ( 0.840 -0.138 1.221) 1.488 5.441 ( 1.235 -0.561 0.491) 1.442 5.482 ( -0.365 0.836 1.847) 2.060 5.494 ( -0.511 -0.586 2.291) 2.419 5.533 ( 0.458 0.294 2.673) 2.728 5.538 ( 0.577 -0.250 3.034) 3.098 5.646 ( 0.852 1.638 0.387) 1.886 5.662 ( 0.602 -0.289 -0.101) 0.675 5.800 ( 0.814 1.374 1.876) 2.464 5.830 ( 2.326 -1.805 2.473) 3.844 6.044 ( -1.177 0.273 -1.355) 1.815 6.047 ( -0.416 -0.072 -1.124) 1.200 6.164 ( 0.128 0.366 0.342) 0.517 6.169 ( 0.295 -0.163 1.167) 1.215 6.228 ( -0.259 0.871 0.243) 0.941 6.249 ( -0.142 -1.488 1.030) 1.815 6.325 ( -1.805 1.551 -4.921) 5.466 6.352 ( -1.524 -1.436 -6.563) 6.888 6.423 ( -2.567 0.316 -3.928) 4.703 6.433 ( -2.772 -0.888 -6.395) 7.026 ======================= Grid point 34 (22/50) ======================= q-point: (-0.14 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( -5.444 20.660 6.418) 22.308 0.626 ( -10.532 21.125 4.391) 24.010 0.888 ( -10.615 -11.683 14.054) 21.135 0.926 ( -10.321 -19.100 -0.747) 21.723 0.936 ( -22.608 9.181 18.363) 30.539 1.237 ( -7.327 -12.021 7.200) 15.813 1.283 ( -11.120 1.194 8.725) 14.184 1.425 ( -2.610 -4.152 4.956) 6.973 1.467 ( -3.173 2.439 1.330) 4.217 1.504 ( 0.784 2.028 -1.564) 2.679 1.550 ( 0.178 4.538 -1.115) 4.677 1.610 ( 2.095 5.071 -1.589) 5.712 1.645 ( 1.512 -10.561 -0.415) 10.677 1.711 ( 5.591 -2.161 -0.002) 5.994 1.720 ( 4.699 0.801 4.797) 6.763 1.757 ( 1.360 -2.390 -6.236) 6.816 1.787 ( 0.345 0.957 -2.669) 2.857 1.849 ( -1.610 -3.230 -0.772) 3.690 1.858 ( -0.073 1.706 0.725) 1.855 1.939 ( 1.479 2.127 -1.119) 2.821 1.952 ( 3.203 -1.210 -1.410) 3.703 1.967 ( 0.666 3.252 -1.044) 3.480 1.998 ( 1.301 -0.374 -1.800) 2.252 2.011 ( -2.505 -3.346 1.788) 4.546 2.047 ( 0.377 0.849 0.803) 1.228 2.091 ( -0.546 0.387 1.227) 1.398 2.098 ( -1.466 -1.669 0.504) 2.278 2.120 ( -0.916 -0.107 2.157) 2.346 2.146 ( -2.137 2.329 -1.531) 3.512 2.175 ( 1.805 0.068 0.949) 2.040 2.193 ( -0.210 2.751 -0.719) 2.851 2.216 ( 0.366 0.866 -3.761) 3.877 2.225 ( 0.447 -0.586 -1.907) 2.044 2.253 ( 1.102 -2.818 -1.076) 3.211 2.292 ( 2.613 1.069 -2.552) 3.806 2.301 ( 2.157 0.367 -1.540) 2.675 2.315 ( 0.195 3.407 0.151) 3.416 2.330 ( -0.576 -0.403 0.977) 1.203 2.350 ( 2.021 2.345 -0.460) 3.130 2.376 ( 1.744 -0.769 -2.221) 2.927 2.392 ( 0.815 0.785 -0.412) 1.205 2.396 ( -1.914 0.995 1.131) 2.436 2.454 ( -0.552 7.975 1.963) 8.232 2.571 ( -1.041 -3.198 0.410) 3.389 2.609 ( 3.509 1.073 -4.791) 6.035 2.658 ( 3.146 0.273 -1.381) 3.446 2.688 ( 4.337 -2.046 -3.538) 5.959 2.777 ( 0.855 -9.027 -1.010) 9.123 2.828 ( 1.935 1.680 0.429) 2.599 2.861 ( 2.146 2.152 -1.073) 3.223 2.889 ( 2.313 -0.928 -2.032) 3.215 2.941 ( 3.332 -5.557 -2.181) 6.837 2.973 ( 3.139 1.835 -3.528) 5.066 3.042 ( 2.531 -4.013 -1.830) 5.086 3.129 ( -0.390 0.221 0.058) 0.452 3.135 ( -1.473 0.193 0.843) 1.708 3.207 ( 2.014 6.546 -1.565) 7.025 3.282 ( 2.314 5.213 -0.893) 5.773 3.297 ( 1.308 -2.824 0.472) 3.148 3.367 ( 0.337 -3.143 -0.768) 3.253 3.464 ( 0.070 1.609 -0.722) 1.765 3.493 ( -0.657 -1.212 -0.324) 1.416 3.535 ( -2.780 0.864 1.471) 3.262 3.543 ( -2.247 -0.232 1.661) 2.804 3.559 ( 1.280 0.802 -0.313) 1.542 3.576 ( 0.499 -0.779 0.223) 0.952 3.592 ( -1.690 1.213 -0.429) 2.124 3.604 ( -2.243 0.595 0.195) 2.328 3.614 ( -0.068 -0.457 0.689) 0.830 3.636 ( 0.511 -1.673 -0.778) 1.914 3.723 ( -0.925 2.787 0.843) 3.055 3.752 ( -1.467 -0.237 1.262) 1.949 3.793 ( 0.657 1.595 -0.887) 1.940 3.824 ( 2.273 -2.173 -1.869) 3.658 3.902 ( 1.977 2.415 -0.343) 3.139 3.931 ( 0.877 -1.025 0.020) 1.350 4.017 ( -0.165 2.529 0.192) 2.542 4.056 ( -1.800 -1.881 1.512) 3.010 4.161 ( 0.452 2.744 -4.572) 5.351 4.212 ( 2.422 -2.782 -3.200) 4.883 4.586 ( -1.014 1.392 1.224) 2.112 4.619 ( -0.258 -2.278 1.323) 2.647 4.739 ( 0.769 1.865 -2.188) 2.976 4.764 ( 0.536 -0.988 -1.237) 1.671 5.008 ( -0.644 -0.060 0.494) 0.814 5.011 ( -0.217 -0.493 -0.420) 0.683 5.021 ( 0.380 0.241 -1.111) 1.199 5.025 ( 0.229 -0.175 -0.899) 0.944 5.454 ( 0.459 -0.209 -0.086) 0.512 5.458 ( 0.814 -0.486 -1.015) 1.389 5.488 ( -0.482 0.850 1.354) 1.670 5.500 ( -0.795 -0.537 2.276) 2.470 5.576 ( 0.960 0.396 4.580) 4.696 5.591 ( 0.974 -1.635 4.648) 5.023 5.667 ( 0.540 0.849 -0.835) 1.307 5.680 ( 2.133 -0.286 1.382) 2.558 5.849 ( 3.272 3.678 0.833) 4.992 5.895 ( 2.387 -1.849 -0.170) 3.024 6.003 ( -2.287 1.112 -2.018) 3.246 6.024 ( -2.396 -1.206 -2.539) 3.694 6.153 ( -0.736 0.983 -1.249) 1.751 6.170 ( -1.347 -0.858 -1.706) 2.337 6.194 ( -1.864 0.613 -1.723) 2.612 6.211 ( -2.587 -1.707 -1.982) 3.679 6.291 ( 0.581 0.880 1.037) 1.479 6.308 ( 1.997 -0.957 1.757) 2.827 6.383 ( 0.188 0.256 0.597) 0.676 6.386 ( 0.783 -0.059 2.090) 2.233 ======================= Grid point 42 (23/50) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( 6.181 0.000 20.694) 21.597 0.906 ( -6.522 0.000 20.652) 21.657 1.021 ( -4.556 0.000 2.040) 4.992 1.026 ( -6.793 0.000 -1.967) 7.072 1.181 ( -7.160 0.000 18.700) 20.024 1.214 ( -14.667 0.000 11.223) 18.468 1.246 ( -4.540 0.000 19.937) 20.447 1.448 ( 0.918 0.000 -6.975) 7.035 1.480 ( 4.422 0.000 4.909) 6.607 1.587 ( 2.003 0.000 0.667) 2.111 1.595 ( -3.926 0.000 -8.388) 9.261 1.697 ( -3.270 0.000 -0.872) 3.384 1.708 ( -4.938 0.000 2.459) 5.516 1.718 ( 1.282 0.000 -2.503) 2.813 1.738 ( 4.531 0.000 -1.126) 4.669 1.770 ( 0.944 0.000 -0.080) 0.947 1.807 ( -1.505 0.000 -2.483) 2.903 1.836 ( 3.857 0.000 -0.630) 3.908 1.882 ( -0.414 0.000 -1.133) 1.206 1.889 ( -3.262 0.000 -0.522) 3.303 1.943 ( 3.166 0.000 -3.041) 4.390 1.972 ( 4.758 0.000 -0.465) 4.781 1.977 ( -4.708 0.000 -4.156) 6.280 1.982 ( -0.218 0.000 0.995) 1.018 2.026 ( -2.278 0.000 0.436) 2.319 2.060 ( 1.293 0.000 1.102) 1.699 2.083 ( -1.895 0.000 2.462) 3.107 2.100 ( -2.651 0.000 -0.530) 2.704 2.107 ( -0.988 0.000 2.559) 2.743 2.178 ( 0.597 0.000 0.307) 0.671 2.186 ( -0.747 0.000 2.593) 2.699 2.209 ( -1.580 0.000 0.548) 1.672 2.232 ( 0.672 0.000 3.386) 3.452 2.245 ( -2.912 0.000 -2.464) 3.814 2.287 ( 7.694 0.000 6.880) 10.321 2.296 ( 3.521 0.000 -2.398) 4.260 2.302 ( 4.830 0.000 -1.640) 5.101 2.341 ( -0.292 0.000 -1.007) 1.048 2.354 ( 4.227 0.000 -0.575) 4.266 2.386 ( 0.420 0.000 6.771) 6.784 2.409 ( 3.406 0.000 0.535) 3.448 2.456 ( 1.208 0.000 2.513) 2.788 2.471 ( 5.938 0.000 -1.253) 6.069 2.674 ( -1.522 0.000 3.008) 3.371 2.718 ( 7.357 0.000 0.967) 7.420 2.762 ( 1.101 0.000 0.965) 1.464 2.781 ( 4.612 0.000 -0.277) 4.620 2.828 ( 1.427 0.000 -8.438) 8.557 2.849 ( 6.349 0.000 3.383) 7.194 2.889 ( 5.567 0.000 -3.966) 6.835 2.962 ( 7.259 0.000 2.058) 7.545 2.982 ( 0.525 0.000 -2.388) 2.445 3.006 ( 2.544 0.000 -5.986) 6.504 3.078 ( 1.489 0.000 0.614) 1.610 3.100 ( -1.239 0.000 -1.686) 2.092 3.107 ( 1.397 0.000 -1.330) 1.929 3.228 ( 2.020 0.000 1.505) 2.519 3.251 ( 3.037 0.000 2.281) 3.798 3.353 ( -1.365 0.000 -2.606) 2.942 3.354 ( -0.610 0.000 -5.585) 5.619 3.402 ( -0.934 0.000 -0.326) 0.989 3.422 ( -0.724 0.000 -1.380) 1.559 3.486 ( -2.859 0.000 -0.747) 2.955 3.488 ( -0.911 0.000 -2.456) 2.619 3.530 ( -0.223 0.000 0.949) 0.975 3.562 ( -1.907 0.000 0.440) 1.957 3.601 ( 0.809 0.000 -1.093) 1.360 3.601 ( 1.533 0.000 -0.781) 1.720 3.627 ( -1.348 0.000 1.539) 2.046 3.644 ( -2.330 0.000 1.716) 2.893 3.694 ( 0.826 0.000 -0.253) 0.864 3.733 ( -2.311 0.000 1.114) 2.565 3.762 ( -2.651 0.000 1.894) 3.259 3.822 ( 0.715 0.000 -3.206) 3.285 3.832 ( 0.128 0.000 -1.036) 1.044 3.929 ( -0.292 0.000 0.054) 0.297 3.958 ( -0.699 0.000 -0.341) 0.778 3.994 ( -3.115 0.000 -4.339) 5.341 4.001 ( -4.001 0.000 -0.577) 4.043 4.031 ( -5.210 0.000 -3.914) 6.516 4.594 ( -0.499 0.000 1.394) 1.481 4.638 ( -1.375 0.000 0.271) 1.401 4.654 ( 1.277 0.000 -2.021) 2.391 4.715 ( -0.028 0.000 -2.597) 2.597 4.972 ( -0.682 0.000 -0.203) 0.712 4.991 ( 0.502 0.000 -1.231) 1.329 4.993 ( -0.552 0.000 -0.498) 0.743 5.001 ( 0.040 0.000 -0.992) 0.992 5.422 ( -0.321 0.000 -1.106) 1.151 5.446 ( 0.194 0.000 -0.154) 0.247 5.473 ( -2.162 0.000 -1.301) 2.523 5.495 ( -1.838 0.000 -0.775) 1.995 5.653 ( 1.126 0.000 2.290) 2.552 5.668 ( -2.231 0.000 2.190) 3.127 5.673 ( 1.723 0.000 0.981) 1.983 5.695 ( -3.606 0.000 0.743) 3.681 5.828 ( -1.291 0.000 1.521) 1.995 5.842 ( -2.114 0.000 0.122) 2.118 5.946 ( 2.246 0.000 -1.691) 2.811 5.958 ( 2.850 0.000 -2.150) 3.570 6.141 ( 0.192 0.000 0.446) 0.485 6.165 ( -0.788 0.000 -0.278) 0.836 6.174 ( 0.224 0.000 -0.550) 0.593 6.190 ( 0.070 0.000 -0.530) 0.534 6.357 ( 1.662 0.000 0.752) 1.824 6.368 ( 1.840 0.000 0.043) 1.840 6.544 ( 2.856 0.000 5.176) 5.912 6.646 ( 4.536 0.000 0.719) 4.592 ======================= Grid point 43 (24/50) ======================= q-point: ( 0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -5.049 0.000 17.248) 17.972 0.943 ( -2.501 0.000 4.402) 5.063 1.003 ( -2.597 0.000 7.325) 7.772 1.081 ( -3.911 0.000 7.555) 8.507 1.126 ( -6.184 0.000 12.891) 14.297 1.187 ( 8.005 0.000 17.388) 19.142 1.416 ( -0.039 0.000 -4.302) 4.302 1.464 ( 4.053 0.000 6.992) 8.082 1.471 ( -2.879 0.000 -7.076) 7.639 1.557 ( -5.702 0.000 -1.728) 5.958 1.574 ( -0.457 0.000 1.172) 1.258 1.627 ( -2.891 0.000 -5.422) 6.145 1.640 ( -2.029 0.000 2.798) 3.456 1.694 ( -2.813 0.000 2.909) 4.046 1.695 ( -2.708 0.000 -4.419) 5.183 1.757 ( 0.404 0.000 -2.803) 2.832 1.784 ( 1.644 0.000 2.155) 2.711 1.829 ( 0.457 0.000 1.348) 1.423 1.842 ( -2.789 0.000 -8.423) 8.873 1.873 ( -1.685 0.000 -1.543) 2.285 1.929 ( 1.496 0.000 2.304) 2.747 1.947 ( -1.394 0.000 -7.174) 7.308 1.981 ( -1.781 0.000 0.155) 1.788 1.991 ( -1.226 0.000 1.885) 2.248 2.004 ( 0.302 0.000 -2.126) 2.148 2.029 ( -5.410 0.000 2.614) 6.008 2.065 ( -0.819 0.000 0.229) 0.850 2.104 ( -0.942 0.000 2.839) 2.991 2.139 ( -2.343 0.000 -0.498) 2.395 2.154 ( 3.006 0.000 0.943) 3.150 2.204 ( 2.771 0.000 1.436) 3.121 2.228 ( 1.642 0.000 1.078) 1.964 2.230 ( 0.520 0.000 2.465) 2.519 2.239 ( -0.936 0.000 -0.064) 0.938 2.303 ( 0.286 0.000 2.524) 2.540 2.322 ( 0.595 0.000 -3.302) 3.355 2.378 ( 1.520 0.000 -1.525) 2.153 2.419 ( 2.319 0.000 0.497) 2.372 2.441 ( 1.989 0.000 1.669) 2.596 2.468 ( 1.941 0.000 3.435) 3.945 2.480 ( 3.977 0.000 2.550) 4.724 2.502 ( 3.985 0.000 4.074) 5.699 2.577 ( 5.915 0.000 4.498) 7.431 2.689 ( 1.467 0.000 1.819) 2.337 2.775 ( 1.929 0.000 -0.797) 2.087 2.782 ( -1.241 0.000 -2.573) 2.857 2.795 ( 3.164 0.000 -11.574) 11.999 2.826 ( 3.000 0.000 -0.385) 3.025 2.929 ( -2.116 0.000 -1.317) 2.493 2.956 ( -2.214 0.000 -0.175) 2.221 2.968 ( -0.731 0.000 -2.211) 2.329 2.999 ( 5.701 0.000 -2.841) 6.370 3.076 ( 4.306 0.000 -1.736) 4.643 3.079 ( 0.645 0.000 -6.019) 6.054 3.127 ( 6.919 0.000 -2.427) 7.333 3.157 ( 3.657 0.000 -0.419) 3.681 3.266 ( -1.332 0.000 0.321) 1.370 3.277 ( -1.561 0.000 -2.958) 3.345 3.288 ( -0.888 0.000 -1.381) 1.642 3.325 ( 2.601 0.000 0.353) 2.625 3.392 ( -0.367 0.000 0.449) 0.580 3.420 ( 0.591 0.000 -1.403) 1.523 3.436 ( -1.672 0.000 -0.557) 1.763 3.466 ( -1.129 0.000 -0.264) 1.159 3.516 ( -1.455 0.000 0.759) 1.641 3.525 ( -1.779 0.000 -0.629) 1.887 3.607 ( -0.770 0.000 1.063) 1.313 3.608 ( -1.210 0.000 1.555) 1.970 3.625 ( 0.908 0.000 -0.102) 0.914 3.628 ( 1.884 0.000 -1.679) 2.524 3.700 ( -0.033 0.000 0.983) 0.984 3.705 ( -1.953 0.000 -0.179) 1.961 3.766 ( 0.857 0.000 3.576) 3.678 3.798 ( -0.854 0.000 -2.019) 2.193 3.825 ( -0.520 0.000 0.516) 0.733 3.881 ( -3.866 0.000 -2.957) 4.867 3.924 ( -0.444 0.000 0.214) 0.492 3.937 ( -2.060 0.000 0.684) 2.170 3.950 ( -1.594 0.000 0.058) 1.595 3.961 ( -1.884 0.000 0.261) 1.902 4.594 ( -0.508 0.000 0.600) 0.786 4.621 ( -0.558 0.000 0.682) 0.881 4.672 ( 1.720 0.000 -1.103) 2.043 4.700 ( 0.206 0.000 -1.950) 1.961 4.965 ( -0.202 0.000 0.296) 0.358 4.983 ( -0.185 0.000 -1.188) 1.203 4.985 ( -0.114 0.000 -0.353) 0.371 4.994 ( -0.028 0.000 -1.417) 1.418 5.418 ( 0.106 0.000 0.203) 0.229 5.439 ( -0.270 0.000 -1.226) 1.256 5.452 ( 0.111 0.000 0.823) 0.830 5.467 ( -0.667 0.000 -0.334) 0.747 5.629 ( -3.160 0.000 1.613) 3.548 5.638 ( -3.676 0.000 1.419) 3.940 5.678 ( -0.386 0.000 2.078) 2.114 5.699 ( -0.084 0.000 1.036) 1.039 5.806 ( -1.365 0.000 1.493) 2.023 5.828 ( -0.674 0.000 1.282) 1.448 5.983 ( 2.881 0.000 -1.987) 3.500 5.996 ( 2.900 0.000 -2.407) 3.769 6.145 ( -0.152 0.000 0.299) 0.335 6.153 ( -0.369 0.000 0.107) 0.385 6.171 ( 0.319 0.000 -0.514) 0.605 6.192 ( 0.530 0.000 -0.875) 1.023 6.384 ( 1.060 0.000 -0.491) 1.168 6.396 ( 1.561 0.000 -0.943) 1.824 6.596 ( -0.153 0.000 2.311) 2.316 6.670 ( -0.804 0.000 -1.735) 1.912 ======================= Grid point 44 (25/50) ======================= q-point: ( 0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( 5.765 0.000 8.033) 9.888 1.017 ( 2.148 0.000 2.358) 3.189 1.025 ( 4.808 0.000 10.670) 11.703 1.167 ( 1.423 0.000 8.723) 8.838 1.181 ( 5.769 0.000 8.506) 10.278 1.326 ( -2.273 0.000 -2.395) 3.302 1.383 ( -1.810 0.000 -5.880) 6.152 1.405 ( -2.249 0.000 -2.293) 3.212 1.445 ( -3.612 0.000 -5.821) 6.850 1.468 ( -5.190 0.000 -3.036) 6.013 1.483 ( -4.368 0.000 -1.870) 4.751 1.535 ( 5.516 0.000 3.535) 6.551 1.575 ( -2.538 0.000 -3.899) 4.652 1.631 ( -1.437 0.000 -3.521) 3.803 1.689 ( -3.190 0.000 -2.624) 4.130 1.717 ( -2.302 0.000 -7.248) 7.605 1.782 ( -3.492 0.000 1.502) 3.801 1.788 ( -2.554 0.000 -6.716) 7.185 1.886 ( 1.205 0.000 5.145) 5.284 1.887 ( -2.216 0.000 0.690) 2.321 1.896 ( 2.734 0.000 1.103) 2.948 1.905 ( 1.684 0.000 -3.798) 4.154 1.922 ( -1.278 0.000 4.508) 4.686 1.982 ( 1.304 0.000 -2.228) 2.582 1.988 ( -1.240 0.000 -3.392) 3.611 2.047 ( 2.380 0.000 3.935) 4.599 2.063 ( -3.698 0.000 -3.808) 5.309 2.066 ( 0.677 0.000 0.994) 1.203 2.113 ( -4.909 0.000 -3.961) 6.308 2.172 ( -2.324 0.000 2.492) 3.407 2.178 ( 0.150 0.000 1.641) 1.648 2.249 ( 5.777 0.000 8.368) 10.168 2.267 ( 1.616 0.000 -0.352) 1.654 2.286 ( -2.100 0.000 -1.325) 2.483 2.299 ( 3.465 0.000 -0.982) 3.601 2.348 ( -2.196 0.000 -2.048) 3.003 2.394 ( 1.449 0.000 -0.471) 1.523 2.432 ( -2.675 0.000 0.545) 2.730 2.446 ( 0.597 0.000 2.838) 2.901 2.485 ( 0.387 0.000 -0.910) 0.989 2.524 ( -0.129 0.000 -0.297) 0.324 2.589 ( -0.743 0.000 3.515) 3.592 2.685 ( -0.196 0.000 -5.846) 5.849 2.732 ( 2.166 0.000 1.647) 2.721 2.762 ( 3.655 0.000 3.602) 5.132 2.782 ( -0.021 0.000 -2.521) 2.521 2.801 ( 4.172 0.000 -7.447) 8.536 2.824 ( -4.623 0.000 -4.374) 6.365 2.842 ( -5.565 0.000 -2.890) 6.271 2.870 ( -2.306 0.000 -3.096) 3.860 2.901 ( -1.602 0.000 0.149) 1.609 3.018 ( -0.564 0.000 -6.486) 6.510 3.037 ( -3.075 0.000 1.151) 3.283 3.165 ( -0.378 0.000 -1.170) 1.230 3.191 ( -1.151 0.000 -1.309) 1.743 3.195 ( 4.250 0.000 3.784) 5.690 3.206 ( 1.591 0.000 2.475) 2.943 3.248 ( -1.900 0.000 -4.111) 4.529 3.302 ( 0.867 0.000 1.164) 1.452 3.379 ( 1.619 0.000 2.209) 2.739 3.397 ( 1.465 0.000 -0.733) 1.638 3.399 ( -1.312 0.000 -0.198) 1.327 3.442 ( -1.423 0.000 1.266) 1.905 3.443 ( 3.067 0.000 -1.974) 3.647 3.492 ( -1.251 0.000 -1.483) 1.940 3.510 ( 0.469 0.000 -0.045) 0.471 3.608 ( -0.164 0.000 1.302) 1.313 3.620 ( 1.967 0.000 0.424) 2.012 3.643 ( -2.828 0.000 0.034) 2.829 3.652 ( 1.975 0.000 -0.746) 2.111 3.671 ( 2.488 0.000 -0.261) 2.502 3.719 ( 0.802 0.000 1.758) 1.932 3.802 ( 1.550 0.000 2.032) 2.556 3.820 ( 0.496 0.000 2.595) 2.642 3.835 ( 1.838 0.000 3.868) 4.283 3.844 ( 0.564 0.000 -0.301) 0.639 3.910 ( -1.039 0.000 -0.140) 1.049 3.912 ( -1.355 0.000 0.794) 1.570 3.935 ( -0.204 0.000 -0.432) 0.477 3.940 ( -1.167 0.000 1.508) 1.907 4.587 ( -0.095 0.000 -0.344) 0.357 4.628 ( 0.392 0.000 0.898) 0.980 4.684 ( 0.652 0.000 -1.657) 1.780 4.703 ( 1.099 0.000 -0.590) 1.247 4.967 ( 0.269 0.000 -0.290) 0.396 4.972 ( -0.089 0.000 -1.210) 1.213 4.981 ( 0.092 0.000 -1.843) 1.845 4.983 ( 0.190 0.000 -0.155) 0.245 5.425 ( -0.084 0.000 1.588) 1.590 5.446 ( 1.413 0.000 -0.071) 1.415 5.460 ( -0.476 0.000 2.167) 2.218 5.472 ( 1.043 0.000 0.707) 1.260 5.586 ( -3.096 0.000 1.386) 3.392 5.588 ( -2.612 0.000 1.296) 2.916 5.668 ( -1.858 0.000 1.021) 2.119 5.684 ( -1.924 0.000 0.626) 2.023 5.810 ( -0.044 0.000 2.105) 2.105 5.828 ( -0.608 0.000 1.755) 1.858 6.011 ( 2.008 0.000 -2.631) 3.310 6.022 ( 2.090 0.000 -2.558) 3.304 6.143 ( -0.133 0.000 0.291) 0.320 6.153 ( 0.029 0.000 0.439) 0.440 6.183 ( 1.133 0.000 -0.086) 1.136 6.198 ( 1.121 0.000 -1.042) 1.530 6.383 ( -0.109 0.000 -2.382) 2.385 6.404 ( 0.806 0.000 -3.101) 3.204 6.576 ( -2.512 0.000 -0.676) 2.601 6.612 ( -3.301 0.000 -3.100) 4.528 ======================= Grid point 45 (26/50) ======================= q-point: (-0.57 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.070 ( -1.495 0.000 -5.045) 5.262 1.138 ( -1.706 0.000 -0.863) 1.912 1.199 ( 6.243 0.000 1.305) 6.378 1.220 ( -0.150 0.000 -1.534) 1.542 1.258 ( 2.485 0.000 6.056) 6.546 1.286 ( -0.025 0.000 -5.213) 5.213 1.336 ( -1.058 0.000 -0.343) 1.113 1.345 ( 0.320 0.000 -5.787) 5.796 1.362 ( 4.609 0.000 -4.024) 6.118 1.435 ( 3.947 0.000 -2.271) 4.554 1.437 ( 5.864 0.000 2.358) 6.320 1.540 ( -0.424 0.000 -0.531) 0.680 1.585 ( -1.801 0.000 -3.697) 4.112 1.591 ( 1.816 0.000 -4.487) 4.841 1.646 ( 1.513 0.000 -3.259) 3.593 1.705 ( 3.069 0.000 -2.698) 4.087 1.717 ( -1.089 0.000 -1.924) 2.210 1.756 ( 2.175 0.000 3.778) 4.359 1.812 ( -8.106 0.000 2.231) 8.408 1.884 ( 0.650 0.000 -0.217) 0.685 1.912 ( 3.248 0.000 -7.504) 8.177 1.925 ( -5.838 0.000 -1.302) 5.982 1.937 ( -0.074 0.000 -3.652) 3.653 1.944 ( 2.358 0.000 -2.483) 3.424 1.993 ( -2.961 0.000 -7.770) 8.315 2.009 ( 3.379 0.000 5.774) 6.690 2.064 ( 4.498 0.000 3.667) 5.803 2.105 ( 1.644 0.000 1.588) 2.286 2.125 ( 0.424 0.000 3.914) 3.937 2.156 ( -1.791 0.000 0.174) 1.799 2.167 ( -0.942 0.000 2.050) 2.256 2.205 ( -4.534 0.000 -2.412) 5.135 2.249 ( -1.067 0.000 -2.396) 2.622 2.286 ( -1.865 0.000 -0.088) 1.867 2.324 ( -0.659 0.000 -2.453) 2.540 2.353 ( -7.454 0.000 0.397) 7.464 2.362 ( -1.402 0.000 -1.548) 2.089 2.429 ( -0.579 0.000 -5.061) 5.094 2.457 ( -0.158 0.000 1.631) 1.638 2.488 ( -1.712 0.000 2.449) 2.989 2.505 ( -7.982 0.000 5.288) 9.575 2.541 ( 6.974 0.000 8.192) 10.758 2.587 ( -4.183 0.000 -7.117) 8.256 2.680 ( -8.862 0.000 0.287) 8.867 2.721 ( -4.137 0.000 -5.344) 6.759 2.733 ( -5.417 0.000 -1.039) 5.516 2.752 ( -2.303 0.000 -1.893) 2.981 2.753 ( -1.242 0.000 -2.757) 3.024 2.818 ( 0.250 0.000 -4.046) 4.053 2.888 ( 5.781 0.000 -2.176) 6.177 2.888 ( -0.456 0.000 -2.968) 3.002 2.962 ( -1.404 0.000 0.053) 1.405 3.020 ( -0.047 0.000 3.058) 3.058 3.096 ( -5.541 0.000 -0.292) 5.549 3.160 ( -0.812 0.000 -2.202) 2.346 3.168 ( -2.307 0.000 -4.545) 5.097 3.269 ( 0.411 0.000 3.314) 3.339 3.279 ( -0.262 0.000 6.435) 6.441 3.315 ( 0.766 0.000 2.511) 2.625 3.365 ( -3.470 0.000 1.890) 3.951 3.412 ( -0.977 0.000 0.575) 1.133 3.441 ( 3.354 0.000 2.573) 4.227 3.451 ( 2.379 0.000 0.540) 2.440 3.476 ( 1.345 0.000 -1.834) 2.274 3.488 ( 3.233 0.000 -1.985) 3.794 3.527 ( 1.838 0.000 -1.535) 2.395 3.602 ( -1.467 0.000 0.977) 1.762 3.611 ( -0.502 0.000 0.620) 0.798 3.670 ( 0.780 0.000 -1.091) 1.342 3.673 ( 2.693 0.000 0.814) 2.813 3.714 ( 1.097 0.000 0.589) 1.245 3.740 ( 0.372 0.000 0.251) 0.448 3.834 ( -0.553 0.000 2.528) 2.588 3.837 ( 0.317 0.000 0.231) 0.392 3.876 ( -0.557 0.000 -0.186) 0.587 3.894 ( 2.797 0.000 1.492) 3.170 3.916 ( 3.472 0.000 0.576) 3.520 3.923 ( 0.180 0.000 -0.136) 0.225 3.949 ( 3.990 0.000 3.208) 5.120 3.957 ( 1.483 0.000 3.180) 3.508 4.587 ( 0.358 0.000 -0.325) 0.484 4.641 ( 0.261 0.000 0.792) 0.834 4.685 ( 0.855 0.000 -1.630) 1.841 4.717 ( 0.920 0.000 -0.540) 1.066 4.966 ( 0.524 0.000 -1.175) 1.286 4.967 ( 0.463 0.000 -1.100) 1.193 4.975 ( 0.801 0.000 -1.874) 2.038 4.991 ( 0.737 0.000 -0.064) 0.740 5.438 ( -0.144 0.000 2.555) 2.559 5.467 ( -0.866 0.000 3.266) 3.379 5.480 ( 1.518 0.000 1.239) 1.960 5.509 ( 1.628 0.000 1.982) 2.565 5.551 ( -1.757 0.000 1.317) 2.196 5.559 ( -1.568 0.000 1.199) 1.974 5.636 ( -1.630 0.000 -0.428) 1.686 5.653 ( -1.194 0.000 -0.572) 1.324 5.825 ( -0.634 0.000 2.929) 2.997 5.830 ( -0.722 0.000 2.469) 2.572 6.019 ( 1.273 0.000 -2.731) 3.013 6.034 ( 1.338 0.000 -2.668) 2.984 6.148 ( 0.430 0.000 0.393) 0.582 6.162 ( 0.457 0.000 1.023) 1.121 6.198 ( 0.795 0.000 -0.353) 0.870 6.225 ( 2.145 0.000 0.103) 2.147 6.347 ( -1.281 0.000 -3.726) 3.939 6.375 ( -0.632 0.000 -5.431) 5.468 6.508 ( -3.400 0.000 -2.968) 4.513 6.520 ( -3.725 0.000 -4.332) 5.714 ======================= Grid point 46 (27/50) ======================= q-point: (-0.43 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( -12.327 0.000 -1.500) 12.418 0.885 ( -15.273 0.000 -9.516) 17.995 1.211 ( -0.104 0.000 -5.684) 5.685 1.215 ( 1.081 0.000 -4.118) 4.257 1.313 ( 6.362 0.000 -5.442) 8.372 1.318 ( -1.122 0.000 6.484) 6.580 1.391 ( 6.699 0.000 0.064) 6.699 1.450 ( 7.487 0.000 2.786) 7.988 1.479 ( 7.260 0.000 1.506) 7.414 1.523 ( 4.695 0.000 -3.378) 5.784 1.544 ( 2.944 0.000 -0.869) 3.069 1.576 ( 4.764 0.000 -4.287) 6.409 1.590 ( -0.986 0.000 -4.218) 4.332 1.651 ( 11.472 0.000 4.405) 12.288 1.667 ( -6.983 0.000 -1.985) 7.260 1.672 ( -3.065 0.000 3.651) 4.767 1.719 ( 2.250 0.000 -0.506) 2.306 1.748 ( 4.218 0.000 0.173) 4.222 1.821 ( 6.987 0.000 0.523) 7.007 1.866 ( 1.919 0.000 -1.838) 2.657 1.888 ( -6.725 0.000 1.926) 6.995 1.907 ( 4.452 0.000 -12.032) 12.829 1.931 ( 5.613 0.000 -8.510) 10.194 1.934 ( 2.212 0.000 -0.751) 2.336 1.998 ( 0.532 0.000 0.897) 1.043 2.039 ( -5.157 0.000 0.801) 5.219 2.080 ( -4.309 0.000 -4.744) 6.409 2.103 ( -0.827 0.000 -3.520) 3.616 2.118 ( 0.237 0.000 1.805) 1.820 2.129 ( 0.606 0.000 2.369) 2.445 2.144 ( -0.610 0.000 1.751) 1.854 2.170 ( 0.927 0.000 -0.400) 1.009 2.211 ( -5.125 0.000 0.772) 5.183 2.260 ( -0.833 0.000 1.578) 1.785 2.274 ( -0.728 0.000 1.010) 1.245 2.275 ( -2.121 0.000 -0.245) 2.135 2.351 ( -0.901 0.000 2.042) 2.232 2.373 ( -2.657 0.000 -1.328) 2.971 2.408 ( -3.962 0.000 4.570) 6.049 2.436 ( -8.275 0.000 3.452) 8.967 2.450 ( -6.372 0.000 1.373) 6.518 2.479 ( -0.570 0.000 -0.459) 0.732 2.504 ( -3.419 0.000 -1.165) 3.612 2.600 ( -6.586 0.000 -1.364) 6.726 2.603 ( -4.477 0.000 -5.247) 6.897 2.685 ( -2.647 0.000 -3.585) 4.456 2.699 ( -2.759 0.000 0.134) 2.762 2.794 ( 8.416 0.000 6.834) 10.841 2.813 ( 2.034 0.000 -4.201) 4.668 2.838 ( -1.982 0.000 -3.639) 4.144 2.885 ( -1.167 0.000 -2.921) 3.145 2.982 ( -0.199 0.000 0.616) 0.648 2.985 ( -6.457 0.000 0.155) 6.459 3.053 ( 0.232 0.000 4.015) 4.022 3.114 ( -0.573 0.000 -2.426) 2.493 3.140 ( 0.222 0.000 -0.814) 0.844 3.250 ( -4.208 0.000 1.773) 4.566 3.276 ( -2.177 0.000 2.475) 3.296 3.315 ( -2.588 0.000 1.073) 2.801 3.359 ( 0.602 0.000 1.336) 1.466 3.428 ( 1.796 0.000 1.546) 2.370 3.485 ( 0.752 0.000 -0.207) 0.779 3.488 ( 0.537 0.000 2.451) 2.509 3.510 ( 3.665 0.000 -3.026) 4.753 3.530 ( 1.546 0.000 0.435) 1.606 3.561 ( 2.702 0.000 -1.212) 2.961 3.600 ( 0.111 0.000 1.278) 1.283 3.601 ( -0.498 0.000 0.027) 0.499 3.667 ( -0.769 0.000 0.061) 0.771 3.710 ( -1.159 0.000 0.908) 1.472 3.722 ( 2.397 0.000 -1.020) 2.605 3.733 ( -0.834 0.000 -0.782) 1.143 3.829 ( -1.073 0.000 0.590) 1.224 3.834 ( -0.334 0.000 0.734) 0.806 3.866 ( -1.162 0.000 1.027) 1.551 3.920 ( 0.528 0.000 -0.930) 1.070 3.939 ( 2.353 0.000 0.192) 2.361 4.022 ( 4.115 0.000 0.661) 4.168 4.035 ( 6.374 0.000 0.930) 6.441 4.050 ( 3.937 0.000 2.142) 4.482 4.592 ( 0.188 0.000 0.040) 0.192 4.647 ( -0.286 0.000 1.012) 1.052 4.686 ( 0.728 0.000 -2.088) 2.211 4.731 ( 1.240 0.000 -0.872) 1.516 4.970 ( 0.941 0.000 -1.404) 1.690 4.971 ( 0.993 0.000 -1.547) 1.838 4.983 ( 1.395 0.000 -1.252) 1.874 5.005 ( 0.977 0.000 -0.459) 1.079 5.455 ( -0.221 0.000 2.450) 2.460 5.475 ( -0.839 0.000 2.835) 2.957 5.504 ( -0.211 0.000 1.806) 1.818 5.536 ( -0.243 0.000 1.579) 1.597 5.549 ( 0.298 0.000 2.087) 2.108 5.559 ( 0.699 0.000 2.164) 2.274 5.618 ( 0.307 0.000 -0.628) 0.698 5.648 ( 0.985 0.000 -0.827) 1.286 5.828 ( -1.198 0.000 3.156) 3.375 5.846 ( 0.444 0.000 2.689) 2.725 6.021 ( 0.941 0.000 -2.213) 2.405 6.029 ( 0.274 0.000 -2.527) 2.542 6.159 ( 0.272 0.000 0.151) 0.311 6.183 ( 0.606 0.000 1.739) 1.842 6.213 ( 1.096 0.000 0.024) 1.096 6.263 ( 1.229 0.000 -0.160) 1.239 6.294 ( -1.412 0.000 -2.742) 3.084 6.305 ( -1.948 0.000 -5.996) 6.304 6.425 ( -2.852 0.000 -3.533) 4.541 6.427 ( -2.956 0.000 -4.250) 5.177 ======================= Grid point 47 (28/50) ======================= q-point: (-0.29 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( -10.116 0.000 5.809) 11.665 0.692 ( -9.898 0.000 9.414) 13.660 1.203 ( 1.394 0.000 -2.392) 2.769 1.220 ( 2.466 0.000 -4.111) 4.794 1.348 ( -3.219 0.000 10.170) 10.667 1.376 ( 3.377 0.000 -3.120) 4.597 1.431 ( -8.101 0.000 -3.874) 8.979 1.470 ( -9.044 0.000 6.394) 11.076 1.485 ( 4.467 0.000 -1.351) 4.667 1.519 ( -3.712 0.000 5.582) 6.703 1.596 ( 6.899 0.000 -0.777) 6.942 1.625 ( 3.439 0.000 1.141) 3.623 1.644 ( -5.511 0.000 5.794) 7.996 1.704 ( 2.595 0.000 -5.528) 6.107 1.714 ( 3.896 0.000 -1.385) 4.135 1.725 ( 2.995 0.000 4.189) 5.149 1.734 ( 1.059 0.000 7.813) 7.884 1.813 ( 2.221 0.000 -0.159) 2.227 1.831 ( -2.533 0.000 -5.675) 6.215 1.864 ( 1.881 0.000 -0.268) 1.900 1.900 ( 9.081 0.000 -2.306) 9.369 1.958 ( 8.771 0.000 -10.062) 13.348 1.964 ( 1.676 0.000 -4.562) 4.860 1.997 ( 1.913 0.000 -8.999) 9.200 2.000 ( 6.973 0.000 -6.983) 9.869 2.050 ( -1.062 0.000 -3.758) 3.905 2.073 ( 6.176 0.000 0.010) 6.176 2.087 ( 4.678 0.000 1.391) 4.881 2.102 ( -0.330 0.000 -2.060) 2.086 2.108 ( -2.701 0.000 3.964) 4.797 2.129 ( 0.204 0.000 1.848) 1.859 2.184 ( 0.641 0.000 2.212) 2.303 2.191 ( 1.608 0.000 -2.452) 2.932 2.209 ( -6.511 0.000 3.728) 7.503 2.244 ( -7.538 0.000 4.757) 8.914 2.273 ( -3.588 0.000 0.856) 3.689 2.278 ( 0.436 0.000 2.465) 2.503 2.282 ( -2.965 0.000 -0.343) 2.985 2.380 ( -2.293 0.000 -1.735) 2.875 2.382 ( -1.477 0.000 2.281) 2.717 2.403 ( -1.522 0.000 0.060) 1.523 2.476 ( -4.743 0.000 2.531) 5.376 2.477 ( -1.276 0.000 -1.615) 2.058 2.514 ( 3.240 0.000 -1.343) 3.508 2.546 ( -1.489 0.000 2.177) 2.638 2.644 ( -0.099 0.000 -0.066) 0.119 2.662 ( -1.003 0.000 2.946) 3.112 2.788 ( -1.069 0.000 -0.678) 1.266 2.820 ( 0.880 0.000 -0.699) 1.124 2.868 ( 2.214 0.000 -2.359) 3.235 2.878 ( -4.625 0.000 0.645) 4.670 2.944 ( 4.146 0.000 1.024) 4.270 2.946 ( -2.771 0.000 -0.655) 2.847 3.071 ( -0.182 0.000 0.599) 0.626 3.120 ( 2.037 0.000 -0.043) 2.037 3.150 ( 0.266 0.000 0.927) 0.964 3.183 ( -3.559 0.000 0.581) 3.606 3.227 ( -4.566 0.000 2.503) 5.207 3.308 ( 0.850 0.000 0.418) 0.947 3.373 ( 0.506 0.000 -0.037) 0.507 3.452 ( 0.270 0.000 -0.918) 0.957 3.488 ( 0.113 0.000 -0.649) 0.659 3.516 ( 1.206 0.000 1.007) 1.571 3.542 ( 2.062 0.000 -2.166) 2.991 3.543 ( 0.210 0.000 -1.027) 1.049 3.575 ( -0.475 0.000 -0.221) 0.524 3.599 ( 0.016 0.000 -0.540) 0.540 3.613 ( 0.330 0.000 -0.282) 0.434 3.648 ( -1.478 0.000 1.566) 2.153 3.684 ( -2.456 0.000 2.143) 3.260 3.706 ( -1.288 0.000 -0.831) 1.533 3.762 ( 3.193 0.000 -2.758) 4.219 3.814 ( -1.221 0.000 1.164) 1.687 3.837 ( 0.173 0.000 -0.318) 0.362 3.844 ( -2.050 0.000 0.968) 2.268 3.927 ( 0.592 0.000 -0.402) 0.716 3.969 ( 1.278 0.000 -1.264) 1.797 4.074 ( 2.111 0.000 -2.119) 2.991 4.102 ( 0.875 0.000 -0.154) 0.889 4.136 ( 4.681 0.000 -2.965) 5.541 4.594 ( -0.167 0.000 0.485) 0.513 4.650 ( -0.168 0.000 1.170) 1.182 4.677 ( 0.257 0.000 -2.854) 2.866 4.743 ( 0.944 0.000 -1.834) 2.063 4.978 ( 1.077 0.000 -1.694) 2.007 4.980 ( 1.235 0.000 -1.622) 2.039 5.000 ( 1.128 0.000 -0.973) 1.490 5.015 ( 0.561 0.000 -0.816) 0.990 5.458 ( -0.760 0.000 0.909) 1.185 5.472 ( -0.931 0.000 0.343) 0.992 5.507 ( -0.585 0.000 1.918) 2.005 5.541 ( 0.032 0.000 1.347) 1.348 5.591 ( 2.038 0.000 3.367) 3.936 5.627 ( 0.469 0.000 0.090) 0.478 5.631 ( 4.777 0.000 3.488) 5.915 5.645 ( -0.676 0.000 -1.593) 1.730 5.830 ( -0.857 0.000 2.497) 2.640 5.882 ( 1.320 0.000 0.857) 1.573 5.996 ( -1.285 0.000 -2.878) 3.152 6.025 ( -0.028 0.000 -2.183) 2.183 6.149 ( -0.959 0.000 -0.592) 1.127 6.188 ( -3.320 0.000 -4.647) 5.711 6.197 ( -0.383 0.000 0.787) 0.875 6.228 ( 0.114 0.000 -1.538) 1.543 6.287 ( 1.048 0.000 1.828) 2.107 6.297 ( 0.851 0.000 0.245) 0.886 6.376 ( -0.147 0.000 -0.506) 0.527 6.393 ( 1.515 0.000 1.935) 2.457 ======================= Grid point 48 (29/50) ======================= q-point: (-0.14 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 5.395 0.000 22.801) 23.430 0.697 ( -1.187 0.000 19.516) 19.552 1.131 ( -6.371 0.000 -2.629) 6.893 1.181 ( -6.717 0.000 -2.636) 7.215 1.244 ( -12.904 0.000 12.099) 17.689 1.348 ( -11.446 0.000 11.628) 16.316 1.375 ( -10.581 0.000 12.056) 16.041 1.404 ( -4.193 0.000 9.436) 10.325 1.486 ( 6.068 0.000 1.235) 6.192 1.499 ( 0.469 0.000 -4.290) 4.316 1.624 ( 2.229 0.000 -0.593) 2.307 1.656 ( 3.329 0.000 -2.256) 4.022 1.694 ( 5.089 0.000 -1.508) 5.308 1.735 ( 1.838 0.000 -4.941) 5.272 1.756 ( -3.551 0.000 -0.436) 3.578 1.761 ( 0.778 0.000 -0.105) 0.785 1.777 ( 0.527 0.000 -0.263) 0.589 1.827 ( 6.831 0.000 0.726) 6.870 1.860 ( -0.623 0.000 0.146) 0.640 1.905 ( 1.338 0.000 1.624) 2.104 1.914 ( 0.768 0.000 -2.972) 3.070 1.957 ( -2.778 0.000 -5.068) 5.779 2.004 ( -1.153 0.000 3.166) 3.369 2.037 ( 2.274 0.000 -0.934) 2.458 2.045 ( 2.689 0.000 2.141) 3.437 2.069 ( 4.542 0.000 -2.717) 5.293 2.086 ( -1.848 0.000 3.416) 3.884 2.094 ( 5.514 0.000 -8.520) 10.148 2.103 ( -0.944 0.000 2.697) 2.857 2.122 ( 2.449 0.000 0.375) 2.478 2.159 ( -2.634 0.000 1.781) 3.180 2.180 ( -1.955 0.000 -2.530) 3.197 2.213 ( 5.112 0.000 -4.484) 6.799 2.229 ( -2.426 0.000 0.692) 2.523 2.247 ( 3.926 0.000 -0.852) 4.018 2.264 ( 5.698 0.000 -3.367) 6.618 2.272 ( -0.257 0.000 2.644) 2.657 2.282 ( 2.841 0.000 -0.401) 2.869 2.340 ( -1.303 0.000 -3.177) 3.434 2.381 ( 2.520 0.000 3.972) 4.704 2.396 ( -0.700 0.000 1.746) 1.881 2.414 ( -2.943 0.000 3.404) 4.500 2.431 ( -5.000 0.000 1.744) 5.295 2.551 ( 5.375 0.000 1.702) 5.638 2.630 ( 6.492 0.000 2.948) 7.130 2.673 ( 2.062 0.000 3.082) 3.708 2.719 ( 3.514 0.000 3.402) 4.891 2.788 ( -1.475 0.000 1.517) 2.116 2.830 ( 1.383 0.000 -1.653) 2.155 2.848 ( 3.373 0.000 0.151) 3.377 2.890 ( -1.015 0.000 -4.161) 4.283 2.936 ( 6.032 0.000 -2.758) 6.632 2.991 ( 2.444 0.000 -2.626) 3.587 3.064 ( -0.794 0.000 0.942) 1.232 3.124 ( -3.035 0.000 2.031) 3.652 3.148 ( -2.562 0.000 1.012) 2.754 3.182 ( 1.980 0.000 0.463) 2.033 3.186 ( 1.383 0.000 1.746) 2.228 3.345 ( 3.116 0.000 -1.202) 3.339 3.374 ( -0.185 0.000 -0.619) 0.646 3.430 ( -1.167 0.000 -1.700) 2.062 3.472 ( -1.484 0.000 -1.849) 2.371 3.524 ( -0.243 0.000 -2.585) 2.597 3.524 ( -0.643 0.000 -1.959) 2.062 3.546 ( -2.729 0.000 0.885) 2.869 3.568 ( 1.981 0.000 -0.581) 2.065 3.586 ( -0.555 0.000 -0.341) 0.651 3.605 ( 0.083 0.000 -1.740) 1.742 3.641 ( -1.380 0.000 1.960) 2.397 3.664 ( -2.139 0.000 3.382) 4.001 3.686 ( 0.029 0.000 -0.664) 0.665 3.769 ( -1.426 0.000 -0.400) 1.481 3.806 ( -3.049 0.000 1.490) 3.394 3.817 ( 1.644 0.000 -1.696) 2.363 3.836 ( 0.278 0.000 -1.194) 1.226 3.931 ( 0.093 0.000 -0.093) 0.132 3.969 ( 0.048 0.000 -1.297) 1.298 4.061 ( -1.082 0.000 -3.715) 3.869 4.077 ( -2.775 0.000 -1.523) 3.165 4.136 ( -0.941 0.000 -6.317) 6.387 4.594 ( -0.456 0.000 1.034) 1.130 4.653 ( -0.417 0.000 0.466) 0.626 4.659 ( 0.322 0.000 -2.947) 2.965 4.735 ( 0.153 0.000 -2.711) 2.715 4.984 ( 0.282 0.000 -1.320) 1.350 4.985 ( 1.051 0.000 -1.434) 1.778 5.006 ( 0.351 0.000 -0.950) 1.013 5.009 ( -0.486 0.000 -0.901) 1.023 5.445 ( -0.867 0.000 -1.165) 1.452 5.451 ( -0.645 0.000 -0.590) 0.874 5.507 ( -1.245 0.000 1.369) 1.850 5.539 ( -1.682 0.000 -0.564) 1.774 5.622 ( 0.345 0.000 0.509) 0.615 5.641 ( 1.045 0.000 0.097) 1.049 5.654 ( 1.440 0.000 3.541) 3.822 5.724 ( 1.964 0.000 0.094) 1.967 5.832 ( -0.686 0.000 1.857) 1.980 5.881 ( -1.267 0.000 -0.934) 1.574 5.950 ( -1.004 0.000 -2.566) 2.756 5.962 ( -2.283 0.000 -3.357) 4.059 6.136 ( -0.186 0.000 0.304) 0.357 6.160 ( 1.006 0.000 0.183) 1.023 6.184 ( -1.023 0.000 -0.228) 1.048 6.204 ( -0.929 0.000 -1.043) 1.397 6.322 ( 1.479 0.000 0.958) 1.762 6.331 ( 2.257 0.000 0.124) 2.260 6.436 ( 3.844 0.000 5.834) 6.986 6.505 ( 7.032 0.000 5.517) 8.938 ======================= Grid point 49 (30/50) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.760 ( 4.220 -5.482 19.379) 20.577 0.795 ( -2.337 -9.490 8.816) 13.163 0.979 ( -13.180 4.356 20.300) 24.592 1.074 ( -14.728 -6.830 17.280) 23.709 1.257 ( -6.066 10.345 0.118) 11.993 1.335 ( -5.178 5.396 4.430) 8.692 1.422 ( 2.014 10.298 12.909) 16.636 1.444 ( -1.773 4.981 2.086) 5.683 1.533 ( 1.786 2.745 3.559) 4.836 1.550 ( 1.047 0.572 -0.908) 1.499 1.609 ( -4.094 -4.730 -5.636) 8.420 1.642 ( 0.482 -3.680 -2.088) 4.259 1.655 ( -0.088 1.345 -0.968) 1.659 1.698 ( 3.846 -1.492 -0.560) 4.163 1.725 ( -1.326 -3.566 -0.208) 3.810 1.785 ( -0.201 -1.130 1.032) 1.544 1.807 ( 2.688 -6.463 10.406) 12.541 1.832 ( 1.463 -1.250 -0.184) 1.933 1.850 ( -3.268 1.203 -3.592) 5.003 1.881 ( -1.808 -3.464 -0.138) 3.910 1.923 ( 1.488 1.583 -1.870) 2.867 1.952 ( 0.706 -1.040 -3.158) 3.399 1.961 ( -3.714 1.154 2.117) 4.428 1.998 ( -1.139 -1.136 0.435) 1.667 2.011 ( -2.255 -1.794 1.014) 3.055 2.032 ( 0.316 -1.008 -2.776) 2.970 2.072 ( 0.061 -0.030 0.183) 0.195 2.082 ( 3.836 -0.106 2.947) 4.838 2.097 ( -0.037 0.465 -0.221) 0.516 2.133 ( 2.318 -2.815 -0.084) 3.648 2.192 ( -1.000 0.518 -0.162) 1.138 2.202 ( 0.317 0.092 -0.110) 0.349 2.231 ( 2.676 -0.382 -0.577) 2.764 2.250 ( 0.795 -1.749 -0.788) 2.076 2.272 ( -3.212 2.420 -1.400) 4.258 2.309 ( 0.282 -0.404 -0.149) 0.515 2.318 ( 2.784 0.921 1.778) 3.429 2.351 ( 0.873 -1.441 0.645) 1.804 2.372 ( 2.283 2.183 -0.602) 3.216 2.384 ( 3.539 0.712 -1.380) 3.865 2.445 ( 3.007 1.274 1.412) 3.557 2.465 ( 4.421 -0.812 -0.304) 4.505 2.590 ( 2.625 12.178 6.162) 13.898 2.670 ( 0.725 0.641 2.747) 2.912 2.705 ( 2.791 -1.908 -0.039) 3.381 2.741 ( 4.138 -1.619 1.476) 4.683 2.791 ( 4.518 -1.816 -1.025) 4.976 2.797 ( 3.763 -3.101 -2.907) 5.677 2.873 ( 5.291 3.142 -0.352) 6.163 2.899 ( 3.528 0.579 -0.566) 3.620 2.964 ( 3.367 -1.207 -1.391) 3.838 2.973 ( 2.400 -0.965 -2.118) 3.343 3.004 ( 5.914 -0.169 -0.531) 5.940 3.031 ( 2.900 -0.180 -2.522) 3.848 3.082 ( -0.234 -0.941 -0.502) 1.092 3.115 ( 0.724 -1.862 -2.020) 2.841 3.252 ( 0.921 3.044 -1.508) 3.520 3.282 ( 2.187 2.867 0.543) 3.646 3.318 ( -1.345 -3.150 -2.339) 4.147 3.339 ( 0.697 -2.351 -2.859) 3.767 3.400 ( -1.203 0.727 -0.612) 1.533 3.419 ( -1.525 -0.936 -0.725) 1.931 3.492 ( -1.558 1.195 -2.100) 2.875 3.501 ( -0.795 0.298 -2.076) 2.242 3.540 ( -0.970 1.236 0.982) 1.853 3.564 ( -1.644 -0.837 0.144) 1.850 3.586 ( 0.111 0.421 0.440) 0.619 3.608 ( 0.029 -1.328 -0.617) 1.465 3.621 ( -1.229 0.454 1.524) 2.010 3.633 ( -0.688 -0.736 0.831) 1.306 3.719 ( -0.672 1.950 0.016) 2.062 3.737 ( -1.848 0.010 0.398) 1.890 3.768 ( -1.324 0.731 0.488) 1.589 3.791 ( 0.626 -1.804 -1.812) 2.633 3.889 ( -0.617 4.353 -2.723) 5.171 3.938 ( -0.279 0.366 -0.537) 0.707 3.952 ( -0.923 -0.573 -1.249) 1.656 3.975 ( -2.815 -1.969 -3.912) 5.206 4.002 ( -4.163 -0.032 -0.994) 4.281 4.010 ( -4.993 -1.468 -1.953) 5.559 4.603 ( -0.720 1.073 1.165) 1.740 4.625 ( -1.117 -1.260 0.622) 1.795 4.673 ( 0.868 1.787 -2.277) 3.022 4.703 ( 0.265 -1.438 -2.553) 2.942 4.975 ( -0.679 0.335 -0.343) 0.831 4.983 ( -0.495 -0.527 -0.640) 0.965 4.999 ( 0.305 0.322 -0.985) 1.081 5.002 ( 0.143 -0.004 -0.983) 0.993 5.426 ( -0.316 0.510 -1.040) 1.201 5.438 ( -0.175 -0.744 -0.701) 1.038 5.481 ( -1.820 0.704 -0.863) 2.134 5.491 ( -1.775 -0.455 -0.728) 1.972 5.654 ( 0.654 0.335 1.892) 2.030 5.664 ( 0.668 -0.650 1.546) 1.805 5.681 ( -1.626 0.881 1.573) 2.428 5.693 ( -2.558 -0.393 1.149) 2.831 5.831 ( -1.594 0.324 1.130) 1.980 5.838 ( -1.998 -0.408 0.433) 2.085 5.950 ( 2.423 0.352 -1.806) 3.043 5.956 ( 2.724 -0.304 -2.032) 3.412 6.146 ( 0.113 0.545 0.302) 0.633 6.157 ( -0.228 -0.720 -0.042) 0.757 6.179 ( -0.099 0.455 -0.611) 0.768 6.187 ( -0.054 -0.351 -0.603) 0.700 6.359 ( 1.739 0.214 0.682) 1.880 6.364 ( 1.832 -0.367 0.361) 1.903 6.567 ( 3.139 2.484 4.381) 5.934 6.617 ( 3.972 -2.965 2.275) 5.454 ======================= Grid point 50 (31/50) ======================= q-point: ( 0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.818 1.776 13.914) 14.144 0.931 ( -2.115 2.537 16.511) 16.838 0.972 ( -5.469 -4.537 14.449) 16.102 1.044 ( 6.035 -10.521 18.533) 22.150 1.182 ( -2.650 9.031 1.952) 9.612 1.230 ( -6.346 6.792 4.402) 10.285 1.379 ( -4.632 -2.165 0.804) 5.176 1.464 ( -4.542 -4.739 -8.171) 10.482 1.494 ( -2.824 -0.289 -5.009) 5.757 1.526 ( -0.798 -0.242 -3.336) 3.438 1.606 ( -3.193 -0.169 -4.385) 5.427 1.623 ( -3.980 -1.356 -2.684) 4.988 1.646 ( 2.897 -0.023 -0.178) 2.903 1.680 ( -1.308 4.710 0.837) 4.959 1.716 ( -1.237 -1.223 -0.300) 1.765 1.768 ( 0.613 3.523 2.345) 4.276 1.793 ( 0.647 0.398 1.071) 1.313 1.818 ( -0.684 -1.253 0.579) 1.541 1.842 ( -4.572 0.417 -1.013) 4.702 1.899 ( 2.239 3.854 -0.878) 4.542 1.908 ( -2.157 -3.749 -3.059) 5.298 1.928 ( 0.271 0.915 2.621) 2.789 1.958 ( 1.401 -1.703 0.417) 2.245 1.984 ( -1.883 -2.246 -0.126) 2.934 2.020 ( -0.943 -0.365 2.186) 2.408 2.034 ( -0.517 -0.566 1.158) 1.389 2.077 ( 0.709 2.572 0.624) 2.740 2.118 ( -0.109 0.390 2.236) 2.273 2.136 ( -2.259 1.804 0.639) 2.961 2.183 ( 1.367 -0.597 2.977) 3.330 2.195 ( 1.198 -1.522 2.044) 2.816 2.207 ( -1.426 0.986 -0.425) 1.785 2.210 ( 2.838 -2.301 1.412) 3.917 2.246 ( 0.368 -0.537 0.087) 0.657 2.305 ( 2.312 0.314 2.163) 3.182 2.317 ( 2.817 -1.274 -2.419) 3.926 2.355 ( 1.433 -0.399 1.941) 2.446 2.384 ( -0.633 -1.977 -0.719) 2.196 2.425 ( 2.549 0.494 1.901) 3.218 2.437 ( 2.860 -0.731 3.110) 4.287 2.492 ( 2.555 0.572 -1.344) 2.943 2.504 ( 1.765 -0.736 -1.431) 2.388 2.694 ( 3.573 5.969 3.457) 7.769 2.702 ( 1.218 3.368 2.408) 4.316 2.736 ( 1.374 -2.763 0.246) 3.095 2.779 ( 0.143 -1.688 -1.389) 2.191 2.804 ( 2.861 0.799 -9.838) 10.276 2.819 ( 1.822 -0.798 -4.980) 5.363 2.927 ( -1.080 -0.652 -3.076) 3.325 2.940 ( -0.321 -1.868 -2.461) 3.106 2.983 ( 0.070 2.150 -1.065) 2.401 3.006 ( 3.413 -0.220 -0.806) 3.513 3.064 ( 3.629 1.129 -0.829) 3.890 3.094 ( 1.913 -1.039 -3.141) 3.821 3.136 ( 6.044 0.963 0.043) 6.120 3.151 ( 5.044 0.025 -1.409) 5.237 3.252 ( -1.940 -1.240 -2.047) 3.080 3.262 ( -1.110 -1.229 -1.403) 2.170 3.299 ( 0.731 1.501 -0.760) 1.834 3.325 ( 1.672 -0.762 -1.263) 2.229 3.388 ( -0.871 0.074 0.368) 0.949 3.402 ( -0.655 -1.372 -0.259) 1.543 3.448 ( -1.554 1.671 -1.555) 2.761 3.474 ( -1.536 -0.807 -0.826) 1.922 3.521 ( -1.767 1.312 -0.150) 2.206 3.535 ( -0.996 0.207 0.271) 1.052 3.595 ( -0.828 -0.739 1.421) 1.803 3.597 ( -0.122 -0.721 1.487) 1.657 3.630 ( 1.625 0.444 -0.580) 1.782 3.634 ( 1.225 0.083 -0.776) 1.452 3.704 ( -1.208 0.366 0.662) 1.425 3.707 ( -1.682 0.063 -0.309) 1.712 3.773 ( 0.795 0.741 2.178) 2.434 3.787 ( 0.167 -0.854 -0.260) 0.908 3.844 ( -1.858 1.693 -0.974) 2.695 3.870 ( -3.372 -1.215 -2.432) 4.331 3.930 ( -0.867 0.658 0.340) 1.140 3.940 ( -2.373 0.172 0.569) 2.447 3.944 ( -1.037 -0.447 0.136) 1.137 3.952 ( -1.490 -0.792 0.507) 1.762 4.599 ( -0.524 0.644 0.627) 1.041 4.613 ( -0.538 -0.829 0.662) 1.189 4.681 ( 1.298 0.832 -1.380) 2.069 4.694 ( 0.561 -0.638 -1.795) 1.986 4.966 ( -0.203 0.237 0.154) 0.348 4.973 ( -0.182 -0.548 -0.262) 0.634 4.993 ( -0.111 0.322 -1.183) 1.231 4.995 ( -0.062 0.059 -1.368) 1.370 5.421 ( 0.058 0.334 -0.043) 0.341 5.430 ( -0.039 -0.710 -0.513) 0.876 5.460 ( -0.235 0.549 0.171) 0.621 5.466 ( -0.531 -0.171 -0.163) 0.581 5.631 ( -3.181 0.211 1.547) 3.543 5.635 ( -3.444 -0.276 1.446) 3.745 5.684 ( -0.463 0.644 1.821) 1.986 5.695 ( -0.316 -0.502 1.300) 1.429 5.811 ( -1.151 0.537 1.465) 1.940 5.822 ( -0.813 -0.604 1.359) 1.695 5.987 ( 2.892 0.379 -2.106) 3.598 5.993 ( 2.900 -0.300 -2.314) 3.722 6.147 ( -0.209 0.227 0.252) 0.398 6.151 ( -0.323 -0.244 0.157) 0.434 6.176 ( 0.385 0.529 -0.631) 0.909 6.186 ( 0.486 -0.577 -0.812) 1.108 6.387 ( 1.195 0.323 -0.549) 1.354 6.393 ( 1.442 -0.324 -0.769) 1.666 6.613 ( -0.279 1.860 1.432) 2.364 6.650 ( -0.600 -2.124 -0.567) 2.279 ======================= Grid point 51 (32/50) ======================= q-point: ( 0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 4.008 0.549 8.626) 9.528 1.020 ( 3.537 0.144 7.093) 7.927 1.084 ( 4.141 7.326 6.753) 10.790 1.193 ( 1.307 2.215 3.853) 4.633 1.231 ( 0.073 0.141 6.549) 6.551 1.245 ( 1.605 -2.985 4.173) 5.376 1.331 ( 0.181 -3.201 -2.119) 3.843 1.367 ( -0.310 -3.300 -7.849) 8.520 1.418 ( -3.725 -1.026 -4.995) 6.314 1.449 ( 1.787 -3.305 2.878) 4.733 1.477 ( -2.751 -2.554 -3.692) 5.266 1.499 ( -4.266 -4.261 -4.006) 7.239 1.612 ( -3.284 9.057 -2.344) 9.915 1.687 ( -0.015 1.883 -2.024) 2.764 1.707 ( 0.729 3.319 -2.424) 4.174 1.728 ( -4.371 -0.334 -3.727) 5.754 1.786 ( -0.332 -1.695 -2.613) 3.133 1.818 ( -2.641 2.508 0.705) 3.710 1.840 ( 0.734 -5.509 2.378) 6.045 1.863 ( -2.278 -1.958 -0.021) 3.004 1.902 ( -1.968 2.933 -0.836) 3.629 1.924 ( 1.027 2.165 -2.798) 3.683 1.939 ( -2.501 1.063 1.294) 3.010 1.960 ( -1.751 -1.072 -0.594) 2.137 1.994 ( -0.351 -2.551 -3.622) 4.444 2.011 ( 0.516 -2.845 0.179) 2.897 2.062 ( 0.179 2.903 -0.945) 3.059 2.083 ( -1.803 0.854 -2.196) 2.967 2.151 ( -2.131 1.913 -1.339) 3.161 2.170 ( -0.334 -0.804 1.240) 1.515 2.205 ( -2.317 2.165 1.256) 3.411 2.233 ( 1.010 -1.669 -0.880) 2.140 2.265 ( 1.015 0.419 1.559) 1.907 2.293 ( 2.614 -0.998 -0.199) 2.805 2.308 ( 0.614 1.995 2.514) 3.268 2.334 ( 0.987 -0.145 -0.895) 1.340 2.400 ( 3.050 1.154 2.511) 4.116 2.434 ( -1.313 -0.095 0.601) 1.447 2.445 ( -2.036 -0.155 1.491) 2.528 2.465 ( 2.271 -3.229 3.730) 5.432 2.527 ( 0.483 0.796 -0.108) 0.938 2.553 ( 2.306 -2.239 2.175) 3.881 2.703 ( -1.184 1.786 -5.371) 5.783 2.735 ( 0.436 0.367 -0.136) 0.586 2.744 ( -0.244 -2.804 -3.064) 4.161 2.750 ( -1.616 -1.224 -0.394) 2.065 2.810 ( 1.769 0.069 -4.334) 4.682 2.819 ( -1.175 -0.624 -4.379) 4.577 2.841 ( -0.739 2.065 -3.375) 4.026 2.875 ( -2.611 -1.661 -0.518) 3.138 2.938 ( -2.861 4.001 -1.570) 5.163 2.996 ( -1.920 -2.564 -3.776) 4.952 3.074 ( -1.948 3.978 0.490) 4.456 3.148 ( 0.258 -4.013 2.054) 4.516 3.195 ( 1.373 1.941 -0.463) 2.422 3.211 ( 1.236 1.075 0.107) 1.642 3.215 ( 0.960 1.186 -1.495) 2.137 3.246 ( 0.440 -0.616 -1.943) 2.085 3.299 ( -0.941 0.528 0.725) 1.300 3.343 ( -1.046 -3.734 -0.222) 3.884 3.391 ( 1.526 1.042 1.318) 2.269 3.411 ( 0.511 -0.779 1.100) 1.441 3.430 ( 1.789 0.947 -0.877) 2.206 3.453 ( 0.794 -1.283 -0.358) 1.551 3.503 ( 0.476 1.891 -0.719) 2.079 3.520 ( -1.046 0.147 -0.041) 1.057 3.603 ( -0.023 -0.270 1.110) 1.143 3.608 ( 1.633 -0.853 0.589) 1.934 3.650 ( -0.356 0.919 -0.278) 1.025 3.665 ( 0.800 -0.450 -0.780) 1.205 3.674 ( 1.380 1.455 0.066) 2.007 3.702 ( 0.279 -1.603 0.879) 1.849 3.809 ( 0.939 0.629 2.143) 2.423 3.818 ( 0.800 -0.358 2.652) 2.793 3.838 ( 1.652 0.340 2.401) 2.934 3.843 ( 1.445 -0.177 0.751) 1.638 3.910 ( -1.301 -0.011 -0.015) 1.301 3.911 ( -1.528 -0.109 0.366) 1.575 3.935 ( -0.382 0.198 0.632) 0.764 3.940 ( -0.614 -0.176 1.164) 1.328 4.596 ( 0.020 1.003 -0.001) 1.003 4.616 ( 0.267 -1.188 0.618) 1.365 4.689 ( 0.775 0.591 -1.419) 1.722 4.699 ( 0.994 -0.467 -0.886) 1.411 4.968 ( 0.311 0.160 -0.332) 0.482 4.971 ( 0.241 -0.138 -0.723) 0.775 4.981 ( -0.105 0.116 -1.394) 1.402 4.983 ( 0.017 -0.073 -1.039) 1.042 5.427 ( 0.128 0.324 1.332) 1.377 5.437 ( 0.615 -0.733 0.824) 1.263 5.467 ( 0.323 0.481 1.323) 1.444 5.472 ( 0.799 -0.100 0.961) 1.254 5.587 ( -2.947 0.059 1.340) 3.238 5.588 ( -2.703 -0.014 1.296) 2.998 5.672 ( -1.883 0.438 0.933) 2.147 5.680 ( -1.914 -0.430 0.734) 2.095 5.814 ( -0.202 0.470 2.022) 2.085 5.823 ( -0.482 -0.510 1.846) 1.975 6.014 ( 2.027 0.355 -2.621) 3.333 6.020 ( 2.069 -0.281 -2.584) 3.323 6.145 ( -0.109 0.257 0.315) 0.421 6.150 ( -0.029 -0.296 0.393) 0.492 6.186 ( 1.136 0.356 -0.334) 1.236 6.194 ( 1.127 -0.421 -0.812) 1.451 6.388 ( 0.109 0.586 -2.523) 2.593 6.399 ( 0.561 -0.555 -2.880) 2.986 6.585 ( -2.664 0.935 -1.264) 3.093 6.603 ( -3.060 -1.011 -2.471) 4.061 ======================= Grid point 52 (33/50) ======================= q-point: (-0.57 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -6.387 1.321 -2.710) 7.063 1.133 ( -4.563 -5.654 0.946) 7.327 1.163 ( 4.099 0.162 -4.348) 5.978 1.178 ( 4.428 -1.879 -2.954) 5.644 1.242 ( 3.465 1.606 4.173) 5.657 1.289 ( 2.847 -1.835 0.063) 3.387 1.329 ( 5.040 1.133 -3.306) 6.133 1.363 ( 6.442 -2.997 -1.986) 7.377 1.383 ( 2.009 2.593 -7.301) 8.004 1.424 ( -1.352 -0.333 -4.683) 4.886 1.498 ( 3.868 5.408 1.515) 6.819 1.578 ( 0.971 4.561 -0.544) 4.695 1.597 ( 1.641 0.520 0.578) 1.816 1.630 ( -2.044 2.564 -0.079) 3.280 1.672 ( 0.322 -1.340 0.295) 1.409 1.701 ( -2.333 3.787 -5.064) 6.740 1.734 ( -4.165 -1.618 -4.684) 6.474 1.738 ( 2.398 -3.694 3.061) 5.363 1.798 ( -0.335 2.950 1.703) 3.423 1.848 ( 0.684 -3.089 -1.987) 3.736 1.888 ( 1.606 -2.971 0.751) 3.460 1.904 ( -0.182 -1.244 -4.276) 4.457 1.947 ( 0.915 1.210 -1.080) 1.862 1.959 ( 1.217 0.577 -6.213) 6.357 1.978 ( 2.071 -1.820 0.683) 2.841 1.999 ( -0.488 0.059 -2.299) 2.351 2.065 ( -0.463 0.843 -0.628) 1.149 2.092 ( -0.522 -2.192 2.704) 3.520 2.137 ( 1.573 1.734 2.351) 3.318 2.159 ( -0.612 -0.526 1.410) 1.625 2.170 ( -3.080 0.465 -2.130) 3.773 2.189 ( -3.118 -1.440 -2.643) 4.333 2.245 ( -0.240 0.284 -0.169) 0.408 2.262 ( -0.540 -1.582 -0.336) 1.705 2.325 ( -4.124 -0.122 -0.164) 4.129 2.345 ( -3.657 -1.248 -1.188) 4.043 2.372 ( -3.259 0.702 -0.902) 3.454 2.393 ( -1.087 -2.103 0.067) 2.368 2.473 ( -3.166 2.509 -2.102) 4.554 2.503 ( -5.731 0.253 4.752) 7.449 2.508 ( -3.040 0.189 1.917) 3.599 2.521 ( -3.571 -2.105 0.558) 4.182 2.640 ( 2.131 5.114 1.587) 5.763 2.685 ( -3.447 1.403 -2.065) 4.256 2.715 ( -2.716 -0.565 -0.611) 2.841 2.720 ( -0.517 -2.763 -2.853) 4.005 2.744 ( -0.613 0.257 -2.318) 2.412 2.788 ( -0.623 -2.712 -3.174) 4.221 2.828 ( -3.485 4.697 -2.976) 6.562 2.876 ( 1.906 -1.180 -3.921) 4.516 2.904 ( 1.005 2.151 -0.880) 2.532 2.944 ( -0.959 -1.920 -1.227) 2.472 3.030 ( -3.295 2.467 3.187) 5.206 3.102 ( -4.881 -3.545 1.059) 6.125 3.180 ( -2.100 3.732 -0.659) 4.333 3.187 ( -1.277 2.508 -2.710) 3.907 3.232 ( 0.310 -2.414 0.618) 2.511 3.262 ( -1.268 -3.154 1.974) 3.931 3.295 ( 0.482 -0.038 1.638) 1.707 3.332 ( -0.012 -3.055 0.804) 3.159 3.421 ( 0.538 0.895 1.246) 1.626 3.435 ( 1.624 -0.541 2.225) 2.807 3.468 ( 1.527 1.595 1.056) 2.448 3.495 ( 2.700 -0.521 -0.632) 2.821 3.503 ( 0.177 1.665 -0.060) 1.675 3.525 ( 1.519 0.051 0.634) 1.647 3.614 ( 0.309 1.932 1.005) 2.200 3.636 ( -0.419 2.431 0.289) 2.484 3.655 ( 2.613 -1.874 0.395) 3.239 3.672 ( 0.572 -0.355 -0.358) 0.763 3.708 ( 1.389 -0.664 -0.373) 1.584 3.718 ( 1.038 -1.855 -0.563) 2.198 3.826 ( 0.231 -0.014 1.136) 1.159 3.834 ( 0.111 -0.569 0.581) 0.821 3.871 ( -1.356 0.291 0.008) 1.387 3.887 ( -0.831 -1.405 -0.110) 1.636 3.924 ( 4.954 1.629 1.934) 5.562 3.941 ( 3.989 0.029 2.987) 4.984 3.947 ( 1.915 0.481 1.455) 2.453 3.957 ( 1.282 -0.231 2.527) 2.843 4.600 ( 0.323 1.359 0.018) 1.397 4.626 ( 0.280 -1.507 0.557) 1.631 4.694 ( 0.900 0.953 -1.307) 1.851 4.710 ( 0.929 -0.776 -0.787) 1.444 4.966 ( 0.504 0.190 -1.561) 1.652 4.971 ( 0.648 -0.194 -1.645) 1.779 4.977 ( 0.655 0.556 -0.778) 1.159 4.987 ( 0.722 -0.489 -0.243) 0.905 5.441 ( -0.191 0.433 2.502) 2.546 5.453 ( -0.295 -0.963 2.586) 2.775 5.493 ( 1.097 0.928 1.970) 2.438 5.505 ( 1.368 -0.468 2.063) 2.519 5.554 ( -1.644 0.245 1.249) 2.079 5.558 ( -1.549 -0.145 1.197) 1.963 5.640 ( -1.479 0.488 -0.460) 1.624 5.649 ( -1.256 -0.440 -0.530) 1.432 5.825 ( -0.697 0.083 2.802) 2.889 5.828 ( -0.738 -0.189 2.570) 2.680 6.023 ( 1.271 0.424 -2.716) 3.028 6.031 ( 1.302 -0.383 -2.686) 3.009 6.150 ( 0.429 0.308 0.442) 0.689 6.157 ( 0.429 -0.462 0.710) 0.949 6.205 ( 1.146 0.736 -0.085) 1.365 6.218 ( 1.793 -0.724 0.096) 1.936 6.355 ( -1.091 0.793 -4.120) 4.335 6.369 ( -0.780 -0.731 -4.966) 5.080 6.511 ( -3.469 0.348 -3.325) 4.818 6.517 ( -3.633 -0.345 -4.002) 5.416 ======================= Grid point 53 (34/50) ======================= q-point: (-0.43 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -10.943 5.990 1.486) 12.563 1.034 ( -6.328 -7.464 2.597) 10.124 1.090 ( -9.022 7.845 -5.723) 13.255 1.203 ( 3.383 -0.456 -7.184) 7.953 1.331 ( 7.023 -2.958 -3.599) 8.428 1.355 ( 3.404 4.445 -6.727) 8.752 1.365 ( 0.124 -4.613 -0.968) 4.715 1.420 ( 5.404 -3.735 1.035) 6.650 1.479 ( 2.925 -0.583 -1.928) 3.551 1.506 ( 6.377 0.943 1.015) 6.526 1.548 ( 0.395 0.441 0.908) 1.084 1.573 ( 4.138 -2.299 -2.889) 5.546 1.590 ( 2.643 0.714 -0.958) 2.900 1.614 ( 7.370 -2.740 1.037) 7.931 1.647 ( 0.741 1.724 -0.098) 1.879 1.684 ( 0.779 -2.142 -3.291) 4.004 1.731 ( 0.177 4.179 -2.346) 4.796 1.791 ( 3.140 1.042 0.286) 3.321 1.847 ( -1.418 1.808 -5.421) 5.888 1.888 ( 3.989 4.009 -3.263) 6.529 1.905 ( 1.100 2.015 -0.625) 2.379 1.922 ( 4.828 0.718 -0.223) 4.886 1.931 ( -1.317 -1.091 -4.394) 4.715 1.967 ( 5.704 0.919 -6.798) 8.921 1.991 ( 3.836 -2.556 2.858) 5.424 2.023 ( -0.302 -4.152 1.028) 4.288 2.035 ( -6.705 2.896 0.491) 7.321 2.086 ( -2.253 -0.447 1.246) 2.613 2.095 ( -2.649 -1.948 1.508) 3.618 2.118 ( 0.110 -1.288 1.433) 1.929 2.151 ( -0.590 -0.970 0.069) 1.138 2.174 ( -2.294 -0.733 1.521) 2.848 2.199 ( -3.571 -0.601 1.976) 4.125 2.236 ( -1.207 -2.216 0.753) 2.633 2.257 ( -3.169 1.847 -0.331) 3.683 2.304 ( -1.898 -3.266 0.800) 3.861 2.322 ( -2.774 1.154 0.343) 3.024 2.348 ( -3.659 -1.111 1.695) 4.183 2.398 ( -3.042 0.566 4.193) 5.211 2.421 ( -1.510 -0.534 -0.461) 1.667 2.444 ( -3.540 0.857 1.655) 4.001 2.480 ( -0.610 -1.629 -1.240) 2.136 2.584 ( -3.961 4.032 -4.186) 7.034 2.616 ( -4.624 1.408 -3.565) 6.006 2.671 ( -2.947 0.370 -1.142) 3.182 2.704 ( -3.169 2.349 -1.606) 4.259 2.712 ( -4.862 5.668 -1.229) 7.568 2.773 ( 2.428 -0.683 -1.427) 2.898 2.795 ( 3.936 -0.876 1.512) 4.306 2.843 ( -2.207 -3.724 -1.918) 4.735 2.878 ( -1.185 2.400 -3.979) 4.796 2.933 ( -0.561 -4.039 -1.726) 4.428 2.998 ( -4.986 0.983 3.440) 6.137 3.042 ( -3.667 -2.897 5.849) 7.487 3.152 ( -0.668 1.936 0.569) 2.126 3.157 ( -0.170 3.758 -1.061) 3.909 3.223 ( -0.780 -1.251 -0.846) 1.700 3.236 ( -2.070 -4.201 0.919) 4.772 3.305 ( -0.555 1.118 0.504) 1.346 3.351 ( 0.854 -2.723 1.052) 3.042 3.442 ( 0.743 1.964 1.331) 2.487 3.470 ( 1.099 -1.186 0.693) 1.759 3.503 ( 1.112 0.677 1.514) 1.997 3.517 ( 1.520 -0.747 0.307) 1.722 3.533 ( 1.976 1.895 -1.056) 2.935 3.561 ( 1.651 -0.839 0.457) 1.907 3.612 ( -0.983 1.907 0.267) 2.162 3.632 ( -0.876 1.179 0.698) 1.626 3.671 ( -0.070 1.149 -0.353) 1.204 3.702 ( 1.310 -1.512 -0.904) 2.195 3.712 ( 0.408 0.422 -0.258) 0.641 3.731 ( 0.947 -1.003 -0.797) 1.593 3.828 ( -1.131 0.057 0.773) 1.371 3.841 ( -0.130 -1.292 1.138) 1.726 3.848 ( -0.406 1.213 0.164) 1.289 3.885 ( 1.025 -2.660 -0.296) 2.866 3.976 ( 1.767 2.489 0.513) 3.096 4.010 ( 2.579 -1.539 1.549) 3.379 4.039 ( 5.720 0.914 0.209) 5.796 4.052 ( 5.067 -0.275 1.083) 5.189 4.605 ( 0.047 1.419 0.359) 1.465 4.632 ( -0.162 -1.526 0.804) 1.733 4.700 ( 0.872 1.341 -1.690) 2.327 4.722 ( 1.139 -1.042 -1.121) 1.908 4.969 ( 1.012 0.151 -1.563) 1.868 4.973 ( 0.976 -0.214 -1.660) 1.938 4.989 ( 1.292 0.689 -0.873) 1.704 5.000 ( 1.078 -0.539 -0.587) 1.341 5.455 ( -0.417 0.166 2.521) 2.561 5.464 ( -0.715 -0.827 2.688) 2.902 5.515 ( -0.375 0.863 1.799) 2.030 5.529 ( -0.346 -0.718 1.734) 1.908 5.554 ( 0.376 0.357 2.019) 2.085 5.558 ( 0.464 -0.089 1.965) 2.021 5.629 ( 0.903 1.055 -0.602) 1.514 5.644 ( 1.153 -0.524 -0.713) 1.454 5.830 ( -0.917 0.338 3.025) 3.179 5.839 ( -0.080 -0.675 2.791) 2.872 6.024 ( 0.820 0.255 -2.262) 2.419 6.028 ( 0.491 -0.191 -2.416) 2.472 6.163 ( 0.430 0.516 0.374) 0.769 6.174 ( 0.652 -0.737 1.044) 1.434 6.226 ( 0.849 1.236 0.217) 1.515 6.249 ( 0.863 -1.332 -0.004) 1.587 6.299 ( -1.369 0.364 -3.542) 3.815 6.304 ( -1.744 -0.152 -5.172) 5.460 6.425 ( -2.867 0.059 -3.660) 4.649 6.426 ( -2.905 -0.040 -3.977) 4.925 ======================= Grid point 54 (35/50) ======================= q-point: (-0.29 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -7.914 14.001 4.042) 16.583 0.857 ( -7.667 16.512 7.052) 19.523 1.017 ( -4.621 -16.010 1.332) 16.716 1.157 ( -4.729 -14.862 4.132) 16.134 1.337 ( -0.375 6.645 1.939) 6.933 1.366 ( 6.620 4.602 -5.474) 9.745 1.453 ( 7.531 -4.822 -0.552) 8.959 1.509 ( 0.460 -3.206 1.622) 3.622 1.511 ( -2.906 0.606 -0.803) 3.075 1.539 ( -2.720 -3.479 5.063) 6.718 1.573 ( 3.747 2.245 1.166) 4.522 1.592 ( -2.305 4.134 -0.278) 4.742 1.645 ( -3.373 -1.874 0.183) 3.863 1.675 ( 1.394 -4.227 1.532) 4.707 1.691 ( -3.758 1.953 1.825) 4.612 1.718 ( 1.115 -0.828 0.347) 1.431 1.746 ( -0.907 3.541 6.178) 7.179 1.813 ( 5.121 1.873 0.089) 5.453 1.838 ( 4.782 -2.505 -2.903) 6.130 1.878 ( 1.949 -0.662 -0.046) 2.059 1.887 ( 0.826 -1.289 -5.936) 6.130 1.937 ( -0.671 -3.796 -4.523) 5.943 1.962 ( 1.292 0.928 -2.529) 2.988 1.979 ( 5.257 0.571 -6.014) 8.008 2.006 ( 8.461 -1.303 -4.115) 9.498 2.017 ( 3.381 -1.879 -3.722) 5.368 2.060 ( 3.536 2.187 -0.235) 4.164 2.092 ( -1.141 2.747 -4.004) 4.988 2.111 ( -1.039 -0.640 -0.135) 1.228 2.143 ( 4.177 0.642 2.625) 4.975 2.159 ( 1.823 -0.146 0.253) 1.846 2.164 ( 0.049 0.938 0.113) 0.946 2.184 ( -3.327 -0.213 2.097) 3.939 2.204 ( -0.874 0.132 -0.829) 1.212 2.229 ( -0.753 -1.038 0.571) 1.404 2.250 ( -0.364 -1.183 1.446) 1.904 2.299 ( -0.774 1.955 1.269) 2.456 2.328 ( -1.884 -0.847 -0.084) 2.067 2.354 ( -3.458 -0.606 -2.038) 4.060 2.373 ( -2.204 -2.304 0.295) 3.202 2.443 ( -0.036 4.571 3.112) 5.531 2.493 ( -1.034 0.235 2.712) 2.912 2.531 ( -3.448 1.561 0.638) 3.838 2.545 ( 3.116 0.847 -0.292) 3.243 2.592 ( -5.010 10.893 -0.153) 11.991 2.617 ( -2.399 0.503 1.794) 3.038 2.666 ( -1.447 -2.293 0.598) 2.777 2.782 ( -2.303 -2.217 0.754) 3.284 2.808 ( 2.559 -4.896 -1.794) 5.808 2.832 ( 1.237 0.927 -3.382) 3.719 2.881 ( 1.243 -2.975 1.988) 3.787 2.904 ( -1.520 -3.882 1.032) 4.295 2.928 ( -3.404 4.471 1.330) 5.775 3.025 ( -2.016 -6.012 3.384) 7.188 3.141 ( -1.218 1.383 -0.380) 1.882 3.167 ( 1.406 4.333 0.262) 4.563 3.197 ( -2.670 -3.218 0.733) 4.245 3.225 ( 1.685 1.483 -1.183) 2.537 3.296 ( -0.441 1.183 0.124) 1.269 3.360 ( -0.230 -3.349 -0.379) 3.378 3.458 ( 0.118 2.102 -0.069) 2.107 3.488 ( 0.606 -1.013 -0.491) 1.279 3.527 ( 0.959 0.908 0.325) 1.360 3.538 ( 0.828 -0.360 -0.597) 1.083 3.557 ( 1.429 1.395 -1.552) 2.529 3.582 ( 0.364 -1.404 -0.793) 1.654 3.592 ( -0.733 1.352 -0.075) 1.540 3.612 ( -1.588 -0.691 0.178) 1.741 3.660 ( -1.261 1.319 0.873) 2.023 3.680 ( -2.161 -0.704 0.817) 2.415 3.725 ( 0.284 1.758 -0.702) 1.914 3.748 ( 1.810 -1.095 -1.486) 2.585 3.811 ( -1.409 0.099 0.880) 1.664 3.827 ( -1.349 -1.477 0.772) 2.144 3.869 ( 1.500 2.700 0.202) 3.095 3.910 ( 1.542 -1.898 0.017) 2.445 3.999 ( 0.932 3.065 -1.472) 3.525 4.052 ( 1.517 -2.621 -1.238) 3.271 4.105 ( 2.002 0.800 -1.920) 2.887 4.125 ( 3.288 -1.156 -2.802) 4.472 4.607 ( -0.238 1.442 0.761) 1.647 4.635 ( -0.256 -1.563 1.096) 1.926 4.697 ( 0.524 1.969 -2.641) 3.335 4.729 ( 0.837 -1.526 -2.120) 2.742 4.977 ( 1.173 0.144 -1.601) 1.990 4.981 ( 1.168 -0.130 -1.560) 1.954 5.004 ( 0.994 0.498 -1.056) 1.533 5.012 ( 0.702 -0.374 -0.932) 1.226 5.458 ( -0.796 0.071 1.109) 1.367 5.464 ( -0.906 -0.634 1.044) 1.520 5.517 ( -0.412 0.926 1.429) 1.752 5.533 ( -0.129 -0.838 1.324) 1.573 5.595 ( 1.944 0.383 2.983) 3.581 5.606 ( 2.107 -0.990 2.568) 3.466 5.652 ( 0.174 0.606 -1.019) 1.198 5.653 ( 1.962 0.727 0.197) 2.101 5.840 ( -0.079 1.252 2.125) 2.468 5.867 ( 0.999 -1.567 1.253) 2.241 6.005 ( -0.992 0.865 -2.793) 3.087 6.019 ( -0.379 -0.682 -2.459) 2.579 6.156 ( -1.014 0.821 -0.871) 1.569 6.174 ( -1.614 -1.162 -2.053) 2.858 6.207 ( -1.408 0.729 -1.162) 1.966 6.220 ( -0.771 -0.770 -1.288) 1.687 6.290 ( 1.090 0.265 1.247) 1.678 6.294 ( 0.936 -0.252 0.542) 1.111 6.381 ( 0.337 0.564 0.140) 0.672 6.390 ( 1.140 -0.366 1.334) 1.793 ======================= Grid point 55 (36/50) ======================= q-point: (-0.14 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -5.246 6.658 11.784) 14.516 0.865 ( -8.103 -16.535 0.347) 18.416 0.953 ( 1.251 15.214 18.338) 23.860 1.177 ( -6.686 -10.742 14.561) 19.290 1.306 ( -8.018 9.310 10.950) 16.458 1.400 ( -8.525 6.831 0.838) 10.956 1.423 ( -5.471 2.549 8.286) 10.251 1.487 ( -3.363 -1.704 -0.630) 3.822 1.506 ( 3.841 -0.691 1.734) 4.271 1.532 ( -3.468 7.080 0.858) 7.930 1.574 ( 3.192 0.410 3.230) 4.560 1.610 ( 3.408 -8.436 5.979) 10.887 1.627 ( 2.273 -5.318 -0.177) 5.786 1.678 ( 0.704 -2.435 2.479) 3.545 1.717 ( -0.099 -1.684 -0.151) 1.693 1.737 ( 0.515 -3.329 0.267) 3.380 1.797 ( -1.264 3.650 -3.519) 5.225 1.813 ( 2.349 -0.913 3.051) 3.958 1.852 ( 0.094 -2.842 -3.186) 4.271 1.893 ( 1.342 -5.949 -1.826) 6.366 1.944 ( 3.562 1.684 0.114) 3.941 1.951 ( 3.195 1.903 1.396) 3.972 1.986 ( -2.931 5.476 -3.417) 7.089 2.019 ( 3.562 -0.821 -4.704) 5.957 2.024 ( 0.680 0.579 -0.871) 1.248 2.058 ( -0.710 -2.359 -3.307) 4.123 2.064 ( -0.165 -1.145 0.435) 1.236 2.092 ( -2.923 -4.088 -4.271) 6.595 2.114 ( -1.472 0.288 -2.737) 3.121 2.129 ( 0.253 -0.725 -2.459) 2.576 2.161 ( 5.142 1.750 -1.681) 5.686 2.178 ( 3.915 1.551 -1.189) 4.376 2.219 ( 0.637 0.645 -1.751) 1.972 2.236 ( 0.645 -0.791 -3.244) 3.401 2.254 ( 4.837 -0.539 -0.133) 4.869 2.260 ( 6.523 -0.783 -0.664) 6.603 2.280 ( 0.063 1.743 -1.814) 2.517 2.307 ( -0.274 -0.750 -0.059) 0.801 2.359 ( 2.853 1.209 2.885) 4.234 2.376 ( 2.617 -0.656 1.274) 2.984 2.420 ( -5.516 2.012 2.346) 6.323 2.436 ( -6.065 0.560 2.745) 6.681 2.527 ( 0.371 10.951 4.712) 11.928 2.576 ( 4.216 5.586 1.795) 7.225 2.629 ( 2.668 -4.159 3.445) 6.024 2.660 ( 5.783 2.176 2.216) 6.564 2.698 ( 2.214 -2.537 3.734) 5.028 2.770 ( 1.273 -7.078 -0.280) 7.197 2.823 ( 0.434 1.151 -1.351) 1.827 2.855 ( 1.609 -1.606 -0.486) 2.325 2.889 ( 2.599 2.195 1.099) 3.575 2.928 ( 3.277 0.304 -0.783) 3.384 2.942 ( 2.169 -2.319 0.793) 3.273 3.021 ( -0.068 -5.215 0.236) 5.221 3.108 ( -1.413 1.614 -1.389) 2.556 3.147 ( -2.967 -2.375 0.079) 3.802 3.214 ( 3.167 4.570 1.074) 5.663 3.249 ( 1.751 4.155 -2.002) 4.933 3.310 ( 2.198 -3.024 0.034) 3.739 3.344 ( -0.587 -3.660 -1.335) 3.939 3.439 ( -1.572 1.886 -1.284) 2.771 3.470 ( -1.850 -1.004 -1.735) 2.728 3.528 ( -0.731 0.497 -2.189) 2.361 3.534 ( -0.407 0.174 -2.577) 2.615 3.557 ( -1.551 0.939 0.781) 1.975 3.566 ( 0.600 -0.217 0.295) 0.703 3.589 ( -0.403 0.528 0.050) 0.666 3.601 ( 1.191 -0.690 -2.035) 2.457 3.642 ( -1.961 0.224 1.980) 2.795 3.649 ( -2.309 -0.673 2.054) 3.163 3.724 ( 0.167 2.898 -0.475) 2.942 3.760 ( 0.128 -1.170 -1.019) 1.556 3.791 ( -1.070 -0.195 0.239) 1.114 3.803 ( -1.713 -1.246 0.249) 2.133 3.893 ( 1.157 3.789 -0.701) 4.024 3.933 ( 0.864 -0.812 0.071) 1.188 3.985 ( -0.645 2.689 -2.815) 3.946 4.039 ( -1.067 -2.509 -3.299) 4.280 4.082 ( -2.405 0.724 -2.897) 3.834 4.110 ( -1.696 -2.387 -5.309) 6.063 4.607 ( -0.523 1.469 1.032) 1.870 4.636 ( -0.574 -1.656 0.799) 1.927 4.683 ( 0.373 2.228 -3.066) 3.809 4.720 ( 0.233 -1.757 -2.903) 3.401 4.985 ( 0.698 0.227 -1.344) 1.531 4.988 ( 0.736 0.029 -1.384) 1.568 5.005 ( 0.030 0.062 -0.963) 0.966 5.008 ( -0.261 -0.177 -0.915) 0.968 5.445 ( -0.805 0.089 -0.717) 1.081 5.448 ( -0.672 -0.230 -0.453) 0.843 5.514 ( -1.255 0.787 0.694) 1.636 5.530 ( -1.455 -0.921 -0.165) 1.730 5.626 ( 0.587 0.474 0.685) 1.020 5.635 ( 0.884 -0.523 0.750) 1.271 5.673 ( 1.330 1.791 2.332) 3.227 5.705 ( 1.492 -1.830 1.101) 2.605 5.848 ( -0.565 1.467 0.608) 1.685 5.871 ( -0.938 -1.097 -0.595) 1.562 5.953 ( -1.362 0.343 -2.765) 3.101 5.959 ( -1.989 -0.300 -3.155) 3.742 6.142 ( -0.105 0.609 0.171) 0.641 6.154 ( 0.399 -0.670 0.122) 0.790 6.188 ( -0.675 0.520 -0.338) 0.917 6.199 ( -0.688 -0.578 -0.707) 1.143 6.322 ( 1.614 0.090 0.853) 1.828 6.326 ( 1.992 -0.388 0.504) 2.092 6.454 ( 4.353 1.829 5.731) 7.426 6.487 ( 5.881 -1.861 5.681) 8.386 ======================= Grid point 63 (37/50) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( -3.584 0.000 4.707) 5.916 1.118 ( -0.813 0.000 6.168) 6.221 1.201 ( -0.426 0.000 -1.345) 1.411 1.262 ( -4.494 0.000 14.479) 15.160 1.290 ( 4.263 0.000 11.283) 12.062 1.356 ( -1.242 0.000 -10.448) 10.521 1.458 ( -8.760 0.000 6.566) 10.948 1.464 ( -2.958 0.000 2.247) 3.714 1.515 ( -2.884 0.000 5.006) 5.777 1.576 ( 2.161 0.000 -0.797) 2.304 1.623 ( -0.218 0.000 6.323) 6.326 1.662 ( 0.308 0.000 -1.445) 1.478 1.677 ( 0.496 0.000 -5.126) 5.150 1.694 ( -2.204 0.000 -1.412) 2.617 1.708 ( 2.007 0.000 -0.701) 2.126 1.742 ( -2.973 0.000 -5.338) 6.110 1.747 ( 1.908 0.000 0.931) 2.123 1.821 ( -1.785 0.000 -0.224) 1.799 1.825 ( -0.027 0.000 -7.085) 7.085 1.895 ( -3.010 0.000 -1.074) 3.196 1.900 ( 3.309 0.000 1.659) 3.702 1.952 ( -0.606 0.000 -1.571) 1.684 1.952 ( 5.018 0.000 3.681) 6.223 1.999 ( -4.803 0.000 1.958) 5.187 2.065 ( -3.050 0.000 2.236) 3.782 2.087 ( 6.756 0.000 0.485) 6.773 2.099 ( -2.899 0.000 0.836) 3.017 2.121 ( 0.957 0.000 -0.580) 1.119 2.140 ( 1.194 0.000 1.439) 1.870 2.176 ( 4.520 0.000 -0.262) 4.527 2.202 ( -1.012 0.000 1.135) 1.520 2.202 ( 4.585 0.000 -1.734) 4.902 2.232 ( -4.368 0.000 3.020) 5.311 2.276 ( -0.660 0.000 2.288) 2.382 2.296 ( 1.608 0.000 -3.755) 4.085 2.308 ( 1.152 0.000 2.973) 3.188 2.326 ( -2.672 0.000 1.934) 3.298 2.350 ( -1.306 0.000 0.299) 1.339 2.361 ( 6.097 0.000 1.521) 6.284 2.428 ( 0.928 0.000 -3.500) 3.621 2.467 ( 1.749 0.000 2.638) 3.165 2.533 ( -0.920 0.000 5.309) 5.388 2.544 ( 0.499 0.000 0.759) 0.908 2.580 ( 4.736 0.000 -7.121) 8.552 2.712 ( -0.715 0.000 0.391) 0.815 2.722 ( 3.140 0.000 1.043) 3.309 2.764 ( 1.943 0.000 -2.155) 2.902 2.781 ( -1.925 0.000 -1.531) 2.460 2.817 ( 6.658 0.000 -0.309) 6.665 2.891 ( 0.911 0.000 -4.387) 4.480 2.942 ( 5.510 0.000 5.502) 7.786 2.949 ( 0.816 0.000 -0.713) 1.084 2.984 ( 3.402 0.000 -2.478) 4.209 3.043 ( -4.448 0.000 -3.519) 5.672 3.044 ( -2.689 0.000 -0.713) 2.782 3.081 ( -0.232 0.000 -2.469) 2.480 3.263 ( 1.238 0.000 1.730) 2.127 3.274 ( 3.589 0.000 0.382) 3.609 3.298 ( -0.890 0.000 -0.863) 1.240 3.299 ( -2.446 0.000 -1.653) 2.952 3.406 ( -0.412 0.000 -0.084) 0.421 3.408 ( 0.278 0.000 0.158) 0.320 3.463 ( -0.941 0.000 -0.688) 1.166 3.469 ( 0.063 0.000 -0.580) 0.584 3.555 ( -1.670 0.000 1.424) 2.195 3.559 ( -1.866 0.000 0.402) 1.909 3.580 ( 1.071 0.000 -1.064) 1.510 3.582 ( 2.033 0.000 -1.234) 2.379 3.652 ( -0.886 0.000 1.077) 1.394 3.668 ( -2.114 0.000 0.044) 2.114 3.698 ( 1.443 0.000 0.664) 1.588 3.721 ( -1.108 0.000 -1.909) 2.207 3.801 ( -0.783 0.000 1.010) 1.278 3.807 ( -0.299 0.000 2.405) 2.424 3.825 ( 0.370 0.000 0.027) 0.371 3.884 ( -1.980 0.000 -4.641) 5.046 3.941 ( -0.112 0.000 1.324) 1.329 3.967 ( -0.276 0.000 0.089) 0.290 3.983 ( -1.033 0.000 -1.850) 2.119 3.986 ( -1.878 0.000 -0.816) 2.047 4.617 ( -0.999 0.000 0.897) 1.343 4.629 ( 1.748 0.000 -0.662) 1.869 4.644 ( -1.062 0.000 0.616) 1.228 4.670 ( 0.369 0.000 -1.930) 1.965 4.972 ( -0.084 0.000 0.131) 0.156 4.975 ( 0.275 0.000 -0.367) 0.458 4.981 ( 0.009 0.000 -0.430) 0.430 4.985 ( -0.293 0.000 -0.630) 0.695 5.414 ( 0.486 0.000 0.359) 0.604 5.436 ( -1.399 0.000 -1.795) 2.276 5.455 ( 0.625 0.000 0.901) 1.097 5.476 ( -1.333 0.000 -1.177) 1.778 5.691 ( 1.680 0.000 1.175) 2.050 5.692 ( 1.787 0.000 0.780) 1.950 5.693 ( -2.307 0.000 0.507) 2.362 5.703 ( -2.330 0.000 0.001) 2.330 5.863 ( -2.297 0.000 2.158) 3.151 5.867 ( -1.783 0.000 2.016) 2.691 5.908 ( 2.340 0.000 -2.151) 3.178 5.911 ( 2.787 0.000 -2.559) 3.784 6.154 ( -0.127 0.000 0.774) 0.785 6.162 ( -0.355 0.000 0.116) 0.374 6.164 ( 0.057 0.000 -0.443) 0.447 6.175 ( 0.173 0.000 -0.914) 0.931 6.367 ( 0.655 0.000 0.307) 0.724 6.370 ( 0.886 0.000 0.051) 0.888 6.620 ( 0.936 0.000 2.642) 2.803 6.650 ( 1.325 0.000 -0.510) 1.420 ======================= Grid point 64 (38/50) ======================= q-point: ( 0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.061 ( -0.101 0.000 8.678) 8.679 1.118 ( -2.482 0.000 -0.594) 2.552 1.229 ( 2.433 0.000 10.845) 11.114 1.249 ( -6.905 0.000 15.211) 16.705 1.283 ( 0.589 0.000 -7.271) 7.295 1.365 ( -4.844 0.000 -0.014) 4.844 1.391 ( -5.798 0.000 -2.222) 6.209 1.414 ( -5.641 0.000 0.381) 5.654 1.480 ( 4.271 0.000 7.491) 8.623 1.509 ( -9.289 0.000 0.596) 9.308 1.566 ( -7.418 0.000 1.328) 7.536 1.614 ( -6.499 0.000 -0.458) 6.515 1.629 ( -4.249 0.000 2.341) 4.852 1.630 ( -1.581 0.000 -0.848) 1.794 1.675 ( -2.131 0.000 -5.462) 5.863 1.744 ( -2.333 0.000 0.464) 2.379 1.793 ( 4.143 0.000 -6.777) 7.943 1.807 ( 0.179 0.000 2.712) 2.718 1.834 ( -3.638 0.000 1.079) 3.795 1.859 ( 2.703 0.000 1.560) 3.121 1.894 ( 2.481 0.000 2.743) 3.699 1.949 ( -1.505 0.000 -1.729) 2.292 1.963 ( -1.360 0.000 -1.633) 2.125 1.997 ( 2.503 0.000 0.595) 2.573 2.018 ( -7.453 0.000 -0.570) 7.475 2.029 ( -5.452 0.000 1.662) 5.699 2.083 ( -4.177 0.000 -3.138) 5.225 2.128 ( 0.021 0.000 -0.106) 0.108 2.135 ( 1.887 0.000 -1.720) 2.553 2.174 ( 3.101 0.000 1.482) 3.436 2.187 ( -3.355 0.000 -4.647) 5.731 2.238 ( 1.145 0.000 -1.145) 1.619 2.246 ( -2.044 0.000 0.453) 2.094 2.285 ( 2.534 0.000 8.984) 9.335 2.303 ( 1.405 0.000 -0.896) 1.666 2.341 ( 0.671 0.000 0.729) 0.991 2.351 ( 2.212 0.000 -0.392) 2.247 2.424 ( 2.663 0.000 -3.079) 4.071 2.442 ( 0.777 0.000 0.312) 0.837 2.450 ( 8.937 0.000 -2.624) 9.314 2.486 ( -0.011 0.000 -9.907) 9.907 2.506 ( 3.284 0.000 0.169) 3.288 2.596 ( 3.283 0.000 1.737) 3.714 2.655 ( 3.584 0.000 -5.348) 6.438 2.710 ( -1.926 0.000 -3.667) 4.142 2.722 ( -0.896 0.000 -6.339) 6.402 2.727 ( 1.581 0.000 1.125) 1.940 2.752 ( -0.429 0.000 -2.377) 2.415 2.887 ( 1.496 0.000 -4.590) 4.827 2.887 ( -3.379 0.000 -3.633) 4.961 2.930 ( -2.023 0.000 -1.654) 2.613 2.945 ( 2.196 0.000 -0.646) 2.289 2.977 ( 3.681 0.000 -3.336) 4.968 3.099 ( 3.667 0.000 -0.788) 3.751 3.118 ( 7.570 0.000 4.471) 8.792 3.132 ( 6.257 0.000 -0.681) 6.294 3.222 ( -3.054 0.000 -1.390) 3.356 3.253 ( -2.430 0.000 -1.976) 3.133 3.291 ( -0.003 0.000 0.798) 0.798 3.335 ( 3.238 0.000 0.205) 3.244 3.405 ( 0.209 0.000 -0.128) 0.245 3.408 ( -0.572 0.000 0.407) 0.702 3.442 ( -1.897 0.000 0.979) 2.134 3.462 ( -0.044 0.000 0.621) 0.622 3.532 ( -1.450 0.000 0.887) 1.700 3.535 ( -2.063 0.000 1.369) 2.476 3.598 ( 0.885 0.000 -1.322) 1.591 3.609 ( 1.694 0.000 -1.027) 1.980 3.647 ( -0.210 0.000 1.946) 1.958 3.647 ( -0.773 0.000 2.376) 2.498 3.682 ( -1.440 0.000 -0.643) 1.577 3.726 ( 0.888 0.000 1.126) 1.434 3.804 ( 0.248 0.000 1.049) 1.078 3.831 ( 0.912 0.000 -0.327) 0.969 3.839 ( -0.499 0.000 -1.408) 1.493 3.853 ( 1.699 0.000 5.064) 5.341 3.943 ( -1.167 0.000 -0.195) 1.183 3.949 ( -1.980 0.000 1.214) 2.323 3.953 ( -0.584 0.000 1.778) 1.872 3.980 ( -0.486 0.000 1.922) 1.983 4.598 ( -1.167 0.000 0.155) 1.177 4.642 ( -0.257 0.000 1.527) 1.548 4.649 ( 0.879 0.000 -1.535) 1.769 4.673 ( 1.301 0.000 -0.641) 1.450 4.967 ( -0.412 0.000 -0.156) 0.440 4.969 ( -0.596 0.000 -0.460) 0.753 4.975 ( -0.470 0.000 -0.167) 0.499 4.982 ( -0.010 0.000 0.265) 0.265 5.420 ( 0.665 0.000 -0.575) 0.879 5.438 ( 1.072 0.000 1.843) 2.133 5.459 ( 0.273 0.000 -0.457) 0.532 5.480 ( 0.912 0.000 1.796) 2.014 5.649 ( -2.769 0.000 0.518) 2.818 5.655 ( -2.998 0.000 0.350) 3.018 5.709 ( -0.789 0.000 0.902) 1.199 5.715 ( -0.245 0.000 0.518) 0.573 5.845 ( -1.034 0.000 2.453) 2.662 5.858 ( -0.566 0.000 1.872) 1.956 5.934 ( 2.397 0.000 -2.938) 3.792 5.943 ( 2.782 0.000 -2.874) 4.000 6.153 ( -0.412 0.000 0.508) 0.654 6.162 ( -0.149 0.000 0.764) 0.778 6.167 ( 0.643 0.000 -0.054) 0.646 6.172 ( 0.331 0.000 -0.940) 0.997 6.365 ( -0.530 0.000 -1.312) 1.415 6.370 ( -0.207 0.000 -1.581) 1.595 6.615 ( -2.401 0.000 -0.329) 2.424 6.626 ( -2.331 0.000 -3.008) 3.805 ======================= Grid point 65 (39/50) ======================= q-point: ( 0.29 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( -2.921 0.000 1.596) 3.329 1.144 ( 0.662 0.000 1.507) 1.646 1.215 ( -5.468 0.000 -12.146) 13.320 1.216 ( -1.376 0.000 -4.389) 4.599 1.276 ( -0.939 0.000 6.983) 7.046 1.312 ( -5.627 0.000 2.494) 6.155 1.329 ( 1.262 0.000 2.276) 2.602 1.359 ( -4.744 0.000 3.684) 6.006 1.379 ( -4.504 0.000 9.134) 10.184 1.430 ( -6.474 0.000 -2.730) 7.026 1.457 ( -2.780 0.000 6.071) 6.677 1.547 ( 1.292 0.000 2.860) 3.138 1.581 ( -3.236 0.000 2.900) 4.345 1.588 ( -0.035 0.000 -4.456) 4.456 1.653 ( -6.546 0.000 0.294) 6.553 1.680 ( -2.304 0.000 -0.066) 2.305 1.762 ( -5.995 0.000 -2.861) 6.643 1.770 ( 0.585 0.000 1.233) 1.365 1.845 ( 4.026 0.000 1.186) 4.197 1.854 ( -0.385 0.000 -4.401) 4.417 1.865 ( -3.250 0.000 -1.475) 3.569 1.916 ( -2.512 0.000 -1.626) 2.992 1.926 ( -2.851 0.000 -2.061) 3.518 1.966 ( -4.670 0.000 -3.813) 6.029 2.009 ( 0.878 0.000 1.017) 1.343 2.035 ( 0.083 0.000 2.573) 2.575 2.068 ( -0.971 0.000 1.731) 1.984 2.073 ( 4.322 0.000 2.371) 4.930 2.130 ( 1.468 0.000 1.812) 2.332 2.184 ( 1.910 0.000 -1.519) 2.440 2.198 ( -2.385 0.000 0.806) 2.518 2.231 ( 1.367 0.000 -0.288) 1.397 2.249 ( 0.632 0.000 -2.380) 2.463 2.264 ( -3.190 0.000 -2.679) 4.166 2.298 ( -1.636 0.000 -1.931) 2.531 2.338 ( -0.768 0.000 -4.701) 4.764 2.402 ( 0.714 0.000 -0.794) 1.068 2.416 ( -1.529 0.000 -3.710) 4.013 2.441 ( 4.539 0.000 -11.296) 12.174 2.511 ( -1.082 0.000 3.075) 3.259 2.533 ( 4.680 0.000 9.362) 10.467 2.539 ( 0.718 0.000 -2.509) 2.609 2.641 ( 0.158 0.000 -1.235) 1.245 2.662 ( 5.453 0.000 -5.385) 7.664 2.667 ( 1.227 0.000 -6.126) 6.248 2.683 ( 2.326 0.000 -8.363) 8.680 2.720 ( -0.995 0.000 -2.899) 3.065 2.771 ( 2.600 0.000 -1.364) 2.936 2.798 ( -2.490 0.000 -3.386) 4.203 2.835 ( -5.464 0.000 -0.249) 5.470 2.888 ( -2.049 0.000 -1.694) 2.658 2.941 ( 0.078 0.000 -1.483) 1.485 3.052 ( 3.702 0.000 -1.217) 3.897 3.107 ( 0.180 0.000 -3.850) 3.854 3.153 ( -2.094 0.000 -0.444) 2.141 3.177 ( -2.643 0.000 -1.067) 2.850 3.272 ( 3.755 0.000 1.308) 3.977 3.279 ( 6.447 0.000 2.074) 6.772 3.302 ( 1.509 0.000 -0.554) 1.607 3.397 ( 1.762 0.000 -0.582) 1.856 3.412 ( 2.210 0.000 0.210) 2.220 3.417 ( 0.292 0.000 2.726) 2.741 3.430 ( 0.367 0.000 2.244) 2.273 3.467 ( -0.279 0.000 1.232) 1.263 3.500 ( -3.159 0.000 2.355) 3.940 3.513 ( -1.149 0.000 0.401) 1.217 3.604 ( 1.381 0.000 -0.641) 1.523 3.616 ( 0.530 0.000 -1.250) 1.358 3.656 ( -0.292 0.000 1.970) 1.991 3.667 ( -0.533 0.000 1.082) 1.206 3.686 ( 1.941 0.000 0.813) 2.104 3.740 ( 0.034 0.000 0.105) 0.110 3.831 ( 2.462 0.000 0.287) 2.479 3.836 ( 0.223 0.000 0.085) 0.239 3.851 ( 1.357 0.000 0.231) 1.377 3.907 ( -1.762 0.000 1.371) 2.233 3.927 ( -0.894 0.000 0.529) 1.039 3.937 ( 2.040 0.000 4.349) 4.804 3.955 ( -1.908 0.000 3.213) 3.737 3.993 ( -0.237 0.000 3.772) 3.780 4.588 ( -0.221 0.000 0.754) 0.785 4.648 ( 0.680 0.000 -1.893) 2.011 4.653 ( 0.023 0.000 1.738) 1.738 4.692 ( 1.050 0.000 -0.712) 1.269 4.954 ( -0.421 0.000 -0.607) 0.739 4.957 ( -0.347 0.000 -0.437) 0.558 4.965 ( -0.657 0.000 0.455) 0.799 4.983 ( -0.019 0.000 0.088) 0.090 5.449 ( 2.452 0.000 0.426) 2.489 5.471 ( 0.512 0.000 3.066) 3.109 5.482 ( 2.305 0.000 0.247) 2.318 5.507 ( 0.365 0.000 2.215) 2.245 5.607 ( -2.378 0.000 0.663) 2.468 5.608 ( -2.590 0.000 0.859) 2.729 5.675 ( -2.899 0.000 -0.446) 2.933 5.685 ( -2.792 0.000 -0.515) 2.839 5.865 ( 0.394 0.000 3.357) 3.380 5.876 ( 0.192 0.000 3.257) 3.263 5.950 ( 2.029 0.000 -3.424) 3.980 5.965 ( 2.142 0.000 -3.132) 3.795 6.149 ( -0.238 0.000 0.235) 0.335 6.169 ( 0.269 0.000 1.267) 1.295 6.173 ( 0.816 0.000 -1.162) 1.420 6.191 ( 1.791 0.000 0.599) 1.889 6.333 ( -1.406 0.000 -2.356) 2.744 6.340 ( -1.218 0.000 -2.924) 3.168 6.537 ( -4.114 0.000 -4.654) 6.212 6.540 ( -4.266 0.000 -2.982) 5.205 ======================= Grid point 66 (40/50) ======================= q-point: (-0.57 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -2.996 0.000 -8.447) 8.963 1.011 ( -10.163 0.000 -7.027) 12.356 1.079 ( -3.226 0.000 -4.995) 5.946 1.138 ( -2.005 0.000 -6.721) 7.014 1.247 ( -0.801 0.000 4.519) 4.589 1.295 ( 3.424 0.000 -0.296) 3.437 1.344 ( 1.282 0.000 2.217) 2.561 1.385 ( 0.890 0.000 2.700) 2.843 1.439 ( 3.094 0.000 6.159) 6.892 1.470 ( 0.420 0.000 1.406) 1.468 1.502 ( 1.655 0.000 5.630) 5.869 1.523 ( -1.553 0.000 -2.294) 2.770 1.529 ( 0.722 0.000 3.435) 3.510 1.610 ( 1.835 0.000 5.945) 6.222 1.640 ( 1.134 0.000 -1.460) 1.849 1.659 ( -2.980 0.000 -3.350) 4.484 1.702 ( 5.995 0.000 1.929) 6.297 1.772 ( -0.759 0.000 -1.389) 1.583 1.779 ( -1.743 0.000 -2.385) 2.954 1.826 ( -3.816 0.000 -1.323) 4.039 1.838 ( 0.580 0.000 -2.374) 2.444 1.866 ( -1.914 0.000 -3.983) 4.419 1.873 ( -1.905 0.000 -2.215) 2.921 1.878 ( -2.950 0.000 -2.453) 3.837 2.021 ( 3.110 0.000 5.942) 6.707 2.056 ( -0.531 0.000 -2.756) 2.807 2.091 ( -5.712 0.000 -7.536) 9.456 2.097 ( -1.072 0.000 -1.721) 2.027 2.137 ( -0.555 0.000 0.786) 0.963 2.168 ( 0.581 0.000 1.310) 1.433 2.181 ( 1.652 0.000 1.924) 2.536 2.204 ( -3.103 0.000 1.503) 3.448 2.265 ( 4.327 0.000 0.347) 4.340 2.268 ( -0.528 0.000 0.118) 0.541 2.298 ( 1.502 0.000 4.284) 4.540 2.306 ( 1.004 0.000 -3.951) 4.076 2.365 ( -0.202 0.000 -0.645) 0.676 2.387 ( -4.344 0.000 1.899) 4.741 2.436 ( 1.860 0.000 -7.318) 7.551 2.455 ( -0.987 0.000 -0.610) 1.160 2.524 ( -1.011 0.000 -1.046) 1.455 2.555 ( -6.700 0.000 -2.286) 7.079 2.639 ( -2.562 0.000 -0.856) 2.701 2.660 ( 2.342 0.000 -5.955) 6.398 2.679 ( -5.636 0.000 0.115) 5.637 2.699 ( 0.029 0.000 -4.070) 4.070 2.710 ( 1.916 0.000 -0.465) 1.972 2.747 ( 0.512 0.000 7.522) 7.539 2.749 ( -0.716 0.000 -2.511) 2.611 2.795 ( 2.722 0.000 -4.330) 5.114 2.847 ( -0.246 0.000 0.808) 0.844 2.952 ( 1.829 0.000 -0.642) 1.938 3.075 ( -0.203 0.000 0.135) 0.244 3.079 ( -1.545 0.000 -1.468) 2.131 3.112 ( -2.934 0.000 -0.714) 3.019 3.123 ( -0.429 0.000 -1.865) 1.914 3.305 ( -0.056 0.000 1.107) 1.109 3.324 ( 1.126 0.000 -0.987) 1.497 3.364 ( 1.377 0.000 0.739) 1.562 3.393 ( -1.276 0.000 -0.027) 1.277 3.444 ( -2.109 0.000 1.979) 2.892 3.450 ( 2.623 0.000 -1.510) 3.026 3.457 ( 0.411 0.000 3.659) 3.682 3.487 ( 1.814 0.000 0.819) 1.991 3.496 ( 1.032 0.000 1.370) 1.715 3.507 ( 0.905 0.000 0.528) 1.048 3.626 ( 0.161 0.000 0.993) 1.006 3.626 ( 0.999 0.000 -0.394) 1.074 3.657 ( -0.728 0.000 1.248) 1.444 3.675 ( 1.198 0.000 -0.615) 1.346 3.714 ( 1.054 0.000 -0.469) 1.154 3.732 ( -0.518 0.000 -0.792) 0.947 3.841 ( 0.208 0.000 0.169) 0.268 3.863 ( -0.653 0.000 -0.893) 1.107 3.890 ( -0.110 0.000 2.061) 2.064 3.898 ( 4.613 0.000 -0.787) 4.680 3.920 ( 0.493 0.000 -0.142) 0.513 3.929 ( -3.029 0.000 2.098) 3.685 4.012 ( 2.790 0.000 2.596) 3.811 4.023 ( 0.433 0.000 3.079) 3.110 4.597 ( 0.154 0.000 1.422) 1.430 4.647 ( 0.715 0.000 -2.138) 2.255 4.665 ( -0.107 0.000 1.705) 1.708 4.700 ( 0.756 0.000 -1.207) 1.424 4.948 ( 0.221 0.000 -0.601) 0.640 4.950 ( -0.041 0.000 -0.502) 0.504 4.962 ( -0.033 0.000 0.554) 0.555 4.982 ( 0.251 0.000 -0.685) 0.730 5.497 ( -0.154 0.000 3.074) 3.078 5.501 ( 2.443 0.000 0.884) 2.598 5.522 ( -0.409 0.000 1.908) 1.951 5.530 ( 2.280 0.000 -0.052) 2.280 5.577 ( -1.438 0.000 1.341) 1.966 5.583 ( -1.133 0.000 1.373) 1.781 5.620 ( -2.068 0.000 -1.077) 2.332 5.629 ( -1.725 0.000 -1.687) 2.412 5.890 ( -0.572 0.000 3.556) 3.602 5.899 ( -0.997 0.000 4.355) 4.468 5.961 ( 1.933 0.000 -3.228) 3.762 5.974 ( 1.543 0.000 -3.374) 3.710 6.154 ( 0.580 0.000 0.380) 0.693 6.183 ( 1.153 0.000 -1.171) 1.643 6.191 ( 0.813 0.000 1.765) 1.944 6.231 ( 1.739 0.000 -0.255) 1.757 6.292 ( -1.185 0.000 -1.465) 1.885 6.292 ( -1.619 0.000 -1.852) 2.460 6.430 ( -3.477 0.000 -4.595) 5.762 6.439 ( -3.797 0.000 -3.808) 5.378 ======================= Grid point 67 (41/50) ======================= q-point: (-0.43 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.817 ( -7.049 0.000 3.604) 7.917 0.917 ( -3.135 0.000 4.209) 5.248 1.059 ( 6.162 0.000 -2.633) 6.701 1.111 ( 2.985 0.000 -4.789) 5.643 1.300 ( 2.425 0.000 -0.254) 2.439 1.362 ( 6.223 0.000 -5.904) 8.578 1.396 ( 0.805 0.000 -1.941) 2.102 1.404 ( 3.215 0.000 -0.186) 3.220 1.497 ( 0.872 0.000 -0.777) 1.168 1.518 ( 3.766 0.000 -0.453) 3.794 1.537 ( 6.283 0.000 -0.768) 6.330 1.539 ( 5.884 0.000 -1.898) 6.183 1.562 ( -2.730 0.000 4.094) 4.921 1.639 ( 0.319 0.000 -8.479) 8.485 1.643 ( 4.534 0.000 2.103) 4.998 1.686 ( 0.806 0.000 -3.692) 3.779 1.693 ( -7.194 0.000 1.854) 7.429 1.783 ( 2.289 0.000 2.983) 3.760 1.807 ( 0.046 0.000 -1.597) 1.598 1.816 ( 4.611 0.000 1.643) 4.895 1.834 ( 1.262 0.000 -8.065) 8.163 1.836 ( 0.542 0.000 2.640) 2.695 1.868 ( 5.081 0.000 -2.063) 5.484 1.886 ( -0.162 0.000 -2.784) 2.788 1.966 ( -0.195 0.000 -2.334) 2.342 1.988 ( 4.205 0.000 1.629) 4.509 2.066 ( -1.403 0.000 1.707) 2.210 2.095 ( -2.355 0.000 -0.500) 2.407 2.152 ( -0.719 0.000 -0.776) 1.058 2.156 ( 1.477 0.000 0.596) 1.592 2.188 ( -0.799 0.000 1.075) 1.339 2.201 ( -2.422 0.000 4.429) 5.048 2.254 ( -4.459 0.000 4.600) 6.406 2.272 ( -5.244 0.000 1.113) 5.361 2.279 ( 0.126 0.000 -0.611) 0.624 2.317 ( -2.909 0.000 1.727) 3.383 2.365 ( 1.194 0.000 -1.241) 1.722 2.390 ( 0.692 0.000 2.789) 2.874 2.404 ( -4.507 0.000 -5.199) 6.881 2.444 ( 1.246 0.000 -1.102) 1.663 2.480 ( -0.017 0.000 2.425) 2.425 2.482 ( 0.257 0.000 1.861) 1.879 2.532 ( -10.541 0.000 5.680) 11.974 2.612 ( -1.265 0.000 4.395) 4.573 2.624 ( -3.673 0.000 1.606) 4.009 2.675 ( -4.640 0.000 2.116) 5.100 2.710 ( -1.043 0.000 1.771) 2.056 2.735 ( 4.610 0.000 -3.796) 5.972 2.771 ( 0.227 0.000 -1.840) 1.854 2.816 ( 2.599 0.000 -3.152) 4.085 2.921 ( 1.874 0.000 3.643) 4.097 2.945 ( -1.326 0.000 -4.618) 4.804 3.024 ( -4.181 0.000 3.656) 5.554 3.077 ( -0.021 0.000 -1.030) 1.030 3.095 ( 0.836 0.000 0.572) 1.013 3.115 ( 1.998 0.000 -0.902) 2.192 3.300 ( -1.221 0.000 0.967) 1.558 3.305 ( -3.544 0.000 2.136) 4.138 3.356 ( -3.475 0.000 1.707) 3.872 3.375 ( -0.149 0.000 0.857) 0.870 3.428 ( 0.161 0.000 -0.133) 0.209 3.469 ( 0.511 0.000 -0.794) 0.945 3.492 ( 1.006 0.000 0.270) 1.041 3.517 ( 2.728 0.000 -2.191) 3.499 3.518 ( 0.367 0.000 0.306) 0.478 3.532 ( 1.481 0.000 -1.636) 2.207 3.619 ( -1.940 0.000 1.397) 2.390 3.620 ( -1.206 0.000 0.256) 1.233 3.664 ( 0.713 0.000 0.091) 0.719 3.688 ( 1.295 0.000 -1.672) 2.115 3.715 ( -0.667 0.000 -0.768) 1.017 3.722 ( 0.038 0.000 0.220) 0.224 3.842 ( -0.944 0.000 0.122) 0.952 3.844 ( -0.399 0.000 0.928) 1.010 3.883 ( -2.693 0.000 0.622) 2.764 3.912 ( 0.938 0.000 0.302) 0.985 3.921 ( 1.337 0.000 -1.554) 2.050 3.990 ( 5.528 0.000 -3.067) 6.322 4.043 ( 0.597 0.000 -0.492) 0.774 4.063 ( 1.946 0.000 -0.806) 2.107 4.608 ( -0.190 0.000 1.591) 1.602 4.639 ( 0.252 0.000 -2.584) 2.596 4.672 ( -0.405 0.000 1.519) 1.572 4.703 ( 0.723 0.000 -1.913) 2.045 4.949 ( 0.379 0.000 -0.630) 0.735 4.950 ( 0.411 0.000 -0.519) 0.662 4.972 ( 0.843 0.000 0.112) 0.851 4.984 ( 0.781 0.000 -1.440) 1.638 5.502 ( -1.712 0.000 1.705) 2.417 5.510 ( -2.041 0.000 1.090) 2.314 5.528 ( -0.014 0.000 0.338) 0.338 5.544 ( 0.111 0.000 -0.630) 0.640 5.591 ( 1.308 0.000 2.079) 2.456 5.596 ( 2.225 0.000 1.498) 2.682 5.602 ( 1.123 0.000 -1.084) 1.561 5.618 ( 1.031 0.000 -2.078) 2.320 5.895 ( -1.847 0.000 3.478) 3.938 5.906 ( -1.006 0.000 3.465) 3.608 5.961 ( 0.633 0.000 -3.604) 3.660 5.978 ( 1.490 0.000 -3.302) 3.623 6.162 ( -0.480 0.000 0.592) 0.762 6.179 ( -0.934 0.000 -2.766) 2.919 6.212 ( 0.083 0.000 1.124) 1.127 6.218 ( -0.553 0.000 -0.960) 1.108 6.287 ( 0.591 0.000 0.723) 0.934 6.288 ( 0.185 0.000 -0.140) 0.232 6.375 ( -0.443 0.000 -0.350) 0.565 6.383 ( 1.176 0.000 0.727) 1.382 ======================= Grid point 68 (42/50) ======================= q-point: (-0.29 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 3.401 0.000 17.385) 17.714 0.938 ( -1.511 0.000 14.165) 14.245 1.143 ( 2.218 0.000 -3.098) 3.811 1.180 ( 1.149 0.000 0.568) 1.282 1.341 ( 8.142 0.000 0.530) 8.160 1.349 ( -0.523 0.000 -2.866) 2.914 1.425 ( -0.732 0.000 -5.382) 5.431 1.460 ( 6.578 0.000 -3.521) 7.461 1.533 ( 3.856 0.000 0.999) 3.983 1.535 ( 1.851 0.000 -9.907) 10.078 1.574 ( 0.080 0.000 -3.710) 3.711 1.577 ( 1.905 0.000 3.105) 3.643 1.642 ( 1.818 0.000 -3.932) 4.332 1.668 ( 9.308 0.000 -8.782) 12.797 1.675 ( 7.119 0.000 0.452) 7.133 1.704 ( -2.296 0.000 -8.272) 8.585 1.736 ( 1.087 0.000 -0.201) 1.106 1.757 ( 1.721 0.000 -1.140) 2.064 1.771 ( 8.884 0.000 -3.350) 9.495 1.847 ( 1.931 0.000 2.992) 3.561 1.873 ( 2.583 0.000 -2.447) 3.559 1.897 ( 4.647 0.000 0.418) 4.666 1.905 ( 2.569 0.000 3.236) 4.132 1.915 ( 2.812 0.000 0.408) 2.842 2.004 ( -7.095 0.000 3.528) 7.924 2.029 ( -0.866 0.000 0.549) 1.025 2.091 ( -5.584 0.000 5.337) 7.725 2.128 ( 1.281 0.000 1.117) 1.700 2.141 ( 1.725 0.000 -0.490) 1.793 2.142 ( 0.575 0.000 4.807) 4.842 2.157 ( 0.049 0.000 -0.426) 0.429 2.165 ( -0.229 0.000 0.213) 0.312 2.219 ( -0.646 0.000 1.417) 1.557 2.242 ( -0.669 0.000 2.178) 2.279 2.269 ( -2.487 0.000 -1.020) 2.688 2.274 ( -0.302 0.000 0.735) 0.795 2.308 ( -1.831 0.000 -2.444) 3.054 2.367 ( -2.132 0.000 2.811) 3.528 2.385 ( -2.497 0.000 0.894) 2.653 2.426 ( -5.563 0.000 12.308) 13.507 2.453 ( -0.391 0.000 5.426) 5.440 2.490 ( -0.545 0.000 3.320) 3.364 2.518 ( -6.283 0.000 3.936) 7.414 2.596 ( 2.729 0.000 5.064) 5.753 2.610 ( -3.492 0.000 2.882) 4.528 2.674 ( 1.741 0.000 2.124) 2.746 2.723 ( 0.808 0.000 3.310) 3.407 2.778 ( 2.033 0.000 -8.119) 8.370 2.786 ( 2.684 0.000 -0.847) 2.815 2.832 ( 0.309 0.000 1.204) 1.243 2.877 ( -0.319 0.000 -3.598) 3.612 2.897 ( -4.494 0.000 2.524) 5.154 3.001 ( -2.991 0.000 3.353) 4.493 3.072 ( 0.395 0.000 0.120) 0.413 3.139 ( 2.816 0.000 1.384) 3.138 3.157 ( 1.962 0.000 1.100) 2.249 3.247 ( -4.993 0.000 3.332) 6.002 3.272 ( -4.788 0.000 2.175) 5.259 3.305 ( -0.941 0.000 -0.910) 1.309 3.380 ( -0.265 0.000 0.801) 0.843 3.424 ( -0.487 0.000 -1.431) 1.512 3.468 ( -0.042 0.000 -1.468) 1.468 3.493 ( 0.063 0.000 -3.092) 3.093 3.506 ( -0.838 0.000 -2.691) 2.818 3.521 ( 0.854 0.000 -0.229) 0.884 3.556 ( 1.621 0.000 -2.381) 2.880 3.598 ( -0.885 0.000 0.126) 0.894 3.598 ( -0.641 0.000 -0.089) 0.647 3.671 ( -0.136 0.000 0.596) 0.611 3.695 ( -1.245 0.000 -0.268) 1.273 3.702 ( 1.823 0.000 -2.682) 3.243 3.724 ( -0.258 0.000 1.492) 1.514 3.828 ( -0.738 0.000 -0.250) 0.779 3.837 ( -1.282 0.000 1.162) 1.730 3.848 ( -1.309 0.000 -0.436) 1.379 3.928 ( 0.568 0.000 0.301) 0.643 3.934 ( 1.515 0.000 -1.810) 2.360 4.019 ( -0.103 0.000 -3.585) 3.587 4.048 ( 2.574 0.000 -5.353) 5.940 4.066 ( 0.156 0.000 -3.195) 3.199 4.614 ( -0.381 0.000 1.501) 1.548 4.621 ( 0.085 0.000 -2.554) 2.555 4.673 ( -0.629 0.000 1.172) 1.330 4.696 ( 0.358 0.000 -2.580) 2.605 4.956 ( 0.912 0.000 -0.718) 1.161 4.956 ( 0.690 0.000 -0.450) 0.824 4.987 ( 0.719 0.000 -0.365) 0.807 4.987 ( 0.796 0.000 -1.622) 1.807 5.462 ( -2.418 0.000 -0.776) 2.539 5.478 ( -2.256 0.000 0.646) 2.347 5.526 ( -0.004 0.000 -0.765) 0.765 5.536 ( -0.552 0.000 -1.679) 1.767 5.616 ( 0.696 0.000 -0.657) 0.957 5.623 ( 1.441 0.000 -0.599) 1.561 5.648 ( 2.903 0.000 2.245) 3.670 5.669 ( 4.042 0.000 1.071) 4.181 5.885 ( -1.794 0.000 3.139) 3.616 5.909 ( -1.252 0.000 2.326) 2.641 5.933 ( -0.839 0.000 -3.510) 3.609 5.953 ( -1.345 0.000 -4.363) 4.566 6.151 ( -0.032 0.000 -0.221) 0.224 6.152 ( -0.816 0.000 0.834) 1.167 6.199 ( -0.635 0.000 -1.669) 1.786 6.202 ( -1.433 0.000 -0.235) 1.452 6.302 ( 1.579 0.000 0.752) 1.749 6.305 ( 1.401 0.000 0.623) 1.533 6.436 ( 3.881 0.000 5.343) 6.604 6.466 ( 4.789 0.000 4.370) 6.483 ======================= Grid point 69 (43/50) ======================= q-point: (-0.14 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 2.427 0.000 17.019) 17.191 1.093 ( 0.859 0.000 5.819) 5.882 1.125 ( 2.059 0.000 12.151) 12.324 1.133 ( -3.961 0.000 2.697) 4.792 1.316 ( -1.688 0.000 -9.702) 9.848 1.391 ( 3.675 0.000 1.573) 3.997 1.490 ( 2.298 0.000 -5.430) 5.896 1.508 ( -2.976 0.000 1.043) 3.154 1.557 ( -2.890 0.000 -3.085) 4.227 1.558 ( -1.067 0.000 1.093) 1.527 1.594 ( 6.845 0.000 -3.543) 7.707 1.610 ( -1.717 0.000 3.496) 3.895 1.623 ( 3.312 0.000 -0.202) 3.318 1.652 ( 8.559 0.000 1.014) 8.619 1.733 ( 8.086 0.000 -12.096) 14.550 1.773 ( -0.974 0.000 0.236) 1.002 1.794 ( -1.125 0.000 -3.326) 3.511 1.794 ( 4.846 0.000 -1.581) 5.097 1.826 ( -7.956 0.000 7.887) 11.203 1.868 ( 2.652 0.000 -0.267) 2.665 1.904 ( 6.601 0.000 -2.247) 6.973 1.908 ( 2.451 0.000 -1.975) 3.147 1.976 ( -2.067 0.000 2.148) 2.981 1.989 ( -2.719 0.000 -1.955) 3.349 2.036 ( 3.179 0.000 0.444) 3.209 2.043 ( 4.585 0.000 -1.568) 4.846 2.076 ( 9.157 0.000 2.935) 9.616 2.096 ( 2.750 0.000 -4.172) 4.996 2.100 ( -2.078 0.000 1.915) 2.826 2.121 ( -0.080 0.000 -0.966) 0.969 2.182 ( -0.967 0.000 4.687) 4.786 2.188 ( -2.659 0.000 -0.580) 2.721 2.216 ( -2.496 0.000 3.392) 4.211 2.249 ( 2.861 0.000 1.413) 3.190 2.273 ( -1.841 0.000 3.408) 3.874 2.291 ( -1.898 0.000 0.133) 1.903 2.302 ( 0.863 0.000 4.065) 4.156 2.368 ( -0.435 0.000 7.110) 7.124 2.384 ( 1.916 0.000 2.118) 2.856 2.433 ( -4.655 0.000 6.781) 8.225 2.457 ( -2.865 0.000 2.954) 4.116 2.490 ( -1.375 0.000 4.715) 4.911 2.513 ( -2.746 0.000 6.488) 7.045 2.614 ( 5.442 0.000 4.502) 7.063 2.640 ( 0.973 0.000 -11.020) 11.063 2.711 ( 2.281 0.000 -1.640) 2.809 2.733 ( 1.906 0.000 0.001) 1.906 2.761 ( -0.368 0.000 -1.392) 1.440 2.810 ( 2.858 0.000 2.961) 4.115 2.815 ( -2.527 0.000 0.884) 2.677 2.900 ( 1.438 0.000 4.145) 4.387 2.914 ( 3.041 0.000 0.182) 3.046 2.956 ( -2.239 0.000 -0.565) 2.309 3.088 ( -0.010 0.000 0.629) 0.629 3.160 ( -4.973 0.000 0.813) 5.039 3.161 ( -6.483 0.000 -0.839) 6.537 3.206 ( 3.327 0.000 0.037) 3.327 3.212 ( 1.491 0.000 2.027) 2.516 3.304 ( 0.814 0.000 -1.424) 1.640 3.356 ( -2.242 0.000 -1.581) 2.744 3.408 ( -0.024 0.000 -0.481) 0.481 3.430 ( -1.703 0.000 -2.010) 2.635 3.468 ( 0.159 0.000 -2.126) 2.132 3.486 ( -0.213 0.000 -1.707) 1.720 3.550 ( 2.374 0.000 -0.955) 2.559 3.554 ( 0.161 0.000 -0.313) 0.352 3.587 ( -0.816 0.000 -0.023) 0.816 3.592 ( -0.907 0.000 0.416) 0.998 3.665 ( -1.026 0.000 0.132) 1.035 3.679 ( 0.146 0.000 0.001) 0.146 3.700 ( -0.563 0.000 -1.320) 1.435 3.734 ( 0.605 0.000 -0.734) 0.951 3.816 ( -0.679 0.000 -0.272) 0.731 3.816 ( -1.603 0.000 0.859) 1.818 3.825 ( -0.836 0.000 0.188) 0.857 3.936 ( 0.071 0.000 0.412) 0.418 3.946 ( 0.331 0.000 -2.014) 2.041 3.970 ( -0.849 0.000 -4.307) 4.389 4.029 ( -0.450 0.000 -4.676) 4.698 4.030 ( -1.411 0.000 -2.871) 3.199 4.613 ( 0.842 0.000 -1.603) 1.810 4.618 ( -0.360 0.000 1.487) 1.530 4.664 ( -1.160 0.000 0.516) 1.269 4.681 ( 0.197 0.000 -2.491) 2.499 4.967 ( 0.734 0.000 -0.398) 0.835 4.967 ( 0.755 0.000 -0.396) 0.853 4.986 ( 0.211 0.000 -1.138) 1.157 4.991 ( 0.167 0.000 -0.605) 0.628 5.421 ( -1.209 0.000 -0.763) 1.430 5.451 ( -0.850 0.000 0.283) 0.896 5.488 ( -2.088 0.000 -3.079) 3.720 5.511 ( -1.259 0.000 -1.129) 1.691 5.646 ( 2.124 0.000 1.030) 2.361 5.651 ( 1.909 0.000 0.548) 1.986 5.703 ( 1.000 0.000 1.405) 1.725 5.723 ( 0.891 0.000 -0.163) 0.906 5.877 ( -1.582 0.000 2.739) 3.163 5.893 ( -2.199 0.000 1.935) 2.929 5.898 ( 0.259 0.000 -2.736) 2.748 5.903 ( -0.285 0.000 -2.741) 2.756 6.150 ( -0.267 0.000 0.965) 1.001 6.161 ( 0.688 0.000 -0.195) 0.715 6.175 ( -0.960 0.000 -0.525) 1.094 6.182 ( -0.177 0.000 -1.180) 1.193 6.341 ( 1.748 0.000 0.956) 1.993 6.341 ( 1.495 0.000 1.264) 1.958 6.548 ( 3.722 0.000 5.029) 6.256 6.585 ( 4.772 0.000 2.766) 5.515 ======================= Grid point 70 (44/50) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 0.858 1.614 13.208) 13.334 1.116 ( 3.397 -7.733 15.266) 17.447 1.230 ( -2.082 6.863 0.085) 7.173 1.264 ( -1.774 2.895 -2.469) 4.198 1.337 ( -6.208 2.849 10.662) 12.662 1.366 ( -3.208 1.085 -4.709) 5.800 1.412 ( -8.693 -3.602 9.638) 13.469 1.423 ( -2.906 -5.522 -10.180) 11.940 1.528 ( 0.040 1.989 -1.708) 2.622 1.594 ( 2.686 -0.936 2.975) 4.116 1.600 ( -1.433 -3.683 -0.774) 4.027 1.606 ( 1.078 1.225 1.260) 2.061 1.665 ( -1.422 -1.766 0.425) 2.307 1.682 ( 0.912 -1.167 -3.168) 3.497 1.756 ( -1.779 4.378 -0.977) 4.826 1.778 ( 1.530 2.518 2.503) 3.866 1.802 ( -1.486 2.278 -2.578) 3.748 1.817 ( -0.749 -0.178 -5.651) 5.703 1.829 ( -0.877 0.910 -0.345) 1.310 1.869 ( -4.063 -2.734 -2.228) 5.380 1.929 ( 2.636 2.067 1.222) 3.565 1.951 ( 4.564 -0.340 -0.917) 4.667 1.965 ( 0.131 2.222 3.944) 4.528 1.992 ( -1.262 -0.372 1.179) 1.767 2.040 ( 0.824 -0.621 1.547) 1.859 2.067 ( -0.912 -2.008 -0.452) 2.251 2.096 ( -0.921 -0.366 2.246) 2.455 2.109 ( 1.319 -2.035 2.044) 3.172 2.163 ( 1.665 1.791 3.208) 4.034 2.182 ( 5.655 1.307 0.397) 5.818 2.195 ( 2.426 -0.085 0.623) 2.506 2.206 ( 0.590 -2.840 2.484) 3.819 2.242 ( -0.971 2.195 -1.324) 2.741 2.266 ( 0.426 0.089 4.289) 4.311 2.279 ( 0.991 -1.528 -1.895) 2.628 2.293 ( 3.179 -2.250 4.312) 5.811 2.333 ( -3.039 0.624 2.868) 4.225 2.349 ( -5.554 -0.108 1.226) 5.689 2.379 ( 4.651 1.460 0.398) 4.891 2.405 ( 3.757 -2.354 1.279) 4.615 2.454 ( -0.535 1.259 0.782) 1.575 2.486 ( 0.031 -1.690 2.043) 2.651 2.580 ( 2.183 1.510 -12.457) 12.737 2.606 ( 2.147 -0.402 -6.552) 6.906 2.713 ( 0.707 0.718 2.166) 2.389 2.724 ( 0.853 -0.290 0.384) 0.980 2.758 ( 1.383 -0.354 -1.682) 2.206 2.763 ( -0.341 -1.148 -1.697) 2.077 2.837 ( 4.063 2.735 0.009) 4.898 2.881 ( 1.824 -1.518 -3.432) 4.172 2.950 ( 1.993 1.085 1.369) 2.650 2.972 ( 1.722 0.648 2.815) 3.364 2.996 ( 1.991 0.668 -0.827) 2.257 3.022 ( -0.556 -0.329 -0.441) 0.783 3.063 ( -0.036 0.347 -0.671) 0.756 3.075 ( -0.096 -0.056 -1.374) 1.378 3.254 ( 0.595 -0.128 1.036) 1.201 3.272 ( 0.381 -1.397 -0.873) 1.691 3.292 ( -0.243 0.427 -0.622) 0.793 3.301 ( -0.609 -0.144 -1.221) 1.372 3.397 ( -0.089 -0.063 -0.121) 0.163 3.405 ( -0.602 -0.709 -0.823) 1.241 3.465 ( -0.681 0.689 0.069) 0.971 3.475 ( 0.061 -0.103 -0.459) 0.474 3.555 ( -1.771 0.384 -0.406) 1.857 3.564 ( -1.094 -0.387 -0.270) 1.191 3.577 ( 1.150 0.496 -0.401) 1.315 3.585 ( 1.184 -0.132 -0.149) 1.200 3.653 ( -0.975 0.239 1.308) 1.649 3.661 ( -1.389 -0.614 1.126) 1.891 3.707 ( 0.455 0.777 -0.761) 1.179 3.718 ( -0.599 -0.416 -1.768) 1.912 3.800 ( -0.491 0.083 1.870) 1.936 3.804 ( -0.437 -0.288 2.455) 2.510 3.844 ( -0.426 1.761 -1.796) 2.551 3.872 ( -1.534 -1.371 -3.885) 4.396 3.948 ( 0.073 0.830 1.105) 1.384 3.964 ( 0.257 -0.706 0.694) 1.023 3.979 ( -1.670 -0.080 -1.725) 2.402 3.983 ( -1.839 -0.348 -1.053) 2.147 4.623 ( -0.972 0.620 0.814) 1.411 4.634 ( -0.300 -0.250 0.080) 0.399 4.644 ( 0.596 0.606 -0.434) 0.955 4.661 ( 0.681 -0.989 -1.651) 2.041 4.972 ( -0.044 0.021 0.021) 0.054 4.973 ( 0.051 -0.114 -0.204) 0.239 4.983 ( 0.017 0.185 -0.506) 0.539 4.985 ( -0.125 -0.017 -0.632) 0.645 5.416 ( 0.223 0.275 0.014) 0.354 5.425 ( -0.404 -0.775 -0.717) 1.131 5.466 ( -0.393 0.779 -0.155) 0.886 5.475 ( -1.055 -0.262 -0.851) 1.381 5.684 ( 0.151 -0.188 0.866) 0.899 5.686 ( 0.671 -0.372 0.614) 0.982 5.704 ( -0.820 0.544 0.667) 1.189 5.707 ( -1.169 0.143 0.301) 1.216 5.864 ( -2.184 0.061 2.146) 3.063 5.865 ( -1.917 -0.115 2.074) 2.827 5.909 ( 2.465 0.091 -2.266) 3.349 5.911 ( 2.687 -0.067 -2.472) 3.652 6.155 ( -0.103 0.175 0.616) 0.648 6.159 ( -0.140 -0.271 0.264) 0.403 6.167 ( -0.067 0.265 -0.550) 0.614 6.172 ( 0.068 -0.276 -0.809) 0.857 6.368 ( 0.723 0.088 0.280) 0.780 6.369 ( 0.828 -0.029 0.144) 0.841 6.627 ( 1.016 0.733 1.873) 2.253 6.642 ( 1.210 -0.857 0.298) 1.513 ======================= Grid point 71 (45/50) ======================= q-point: ( 0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( -1.466 4.830 3.572) 6.183 1.144 ( -1.820 2.737 0.469) 3.320 1.241 ( -6.482 -1.461 5.369) 8.542 1.259 ( 0.475 1.800 5.870) 6.158 1.280 ( -0.542 -1.079 -2.861) 3.106 1.294 ( -1.395 -3.603 -1.631) 4.194 1.352 ( -5.385 -1.543 10.577) 11.969 1.398 ( -0.535 -4.871 13.395) 14.263 1.477 ( -4.977 2.263 2.008) 5.824 1.517 ( -5.401 -2.357 0.595) 5.923 1.550 ( -7.688 1.509 3.570) 8.609 1.612 ( -8.007 -2.856 1.663) 8.662 1.626 ( -0.726 1.369 -2.544) 2.979 1.662 ( -4.636 3.100 -4.622) 7.243 1.690 ( 2.290 -2.352 -3.061) 4.488 1.728 ( -2.093 3.011 -1.407) 3.928 1.776 ( -2.238 -1.048 -1.700) 2.999 1.811 ( 1.812 1.297 -3.000) 3.737 1.843 ( 1.490 -2.413 1.073) 3.032 1.851 ( 3.296 -1.379 2.277) 4.237 1.915 ( -3.498 3.913 -0.103) 5.250 1.964 ( 0.288 1.007 0.973) 1.430 1.977 ( 1.502 0.040 0.331) 1.539 1.981 ( -4.952 -2.203 0.093) 5.421 2.032 ( -5.604 1.729 -1.063) 5.960 2.057 ( -3.590 1.097 -0.611) 3.804 2.075 ( -3.400 1.649 -0.937) 3.894 2.118 ( -3.059 -0.878 -1.394) 3.474 2.141 ( 3.185 0.244 -2.849) 4.280 2.166 ( 1.708 -0.859 -0.885) 2.107 2.201 ( -2.282 -0.423 -2.454) 3.377 2.219 ( -0.896 -2.392 -0.393) 2.585 2.232 ( 0.776 2.171 -0.711) 2.412 2.278 ( 2.687 -1.864 -0.194) 3.276 2.314 ( 0.703 1.101 1.952) 2.349 2.329 ( -0.861 -0.861 1.450) 1.893 2.379 ( 3.829 3.420 3.383) 6.148 2.438 ( 3.243 -1.010 -0.137) 3.400 2.443 ( 2.065 0.333 -2.505) 3.264 2.449 ( 5.928 -0.238 -5.080) 7.810 2.479 ( 2.553 1.438 2.746) 4.016 2.517 ( 2.346 0.498 -1.591) 2.878 2.552 ( 4.153 -3.272 -1.575) 5.516 2.587 ( 2.684 -4.940 -11.481) 12.784 2.718 ( -2.200 0.954 -3.743) 4.446 2.733 ( 0.355 0.398 -0.176) 0.561 2.741 ( 0.629 -0.498 -0.516) 0.954 2.746 ( 0.716 0.283 -1.218) 1.441 2.864 ( -0.840 0.894 -4.234) 4.408 2.899 ( 0.897 -2.330 -2.048) 3.230 2.951 ( -0.805 2.694 -2.792) 3.962 2.976 ( 0.316 0.472 -1.196) 1.324 3.012 ( 2.925 4.912 -3.121) 6.514 3.087 ( 4.865 -2.865 0.077) 5.646 3.112 ( 4.984 0.764 -0.601) 5.078 3.131 ( 5.831 -0.768 -1.484) 6.065 3.223 ( -3.001 0.827 -0.177) 3.118 3.245 ( -2.231 -1.071 -0.654) 2.560 3.294 ( 0.503 0.485 0.171) 0.720 3.315 ( 2.255 -1.844 -0.455) 2.948 3.398 ( 0.026 0.566 0.785) 0.968 3.413 ( 1.060 -0.610 1.209) 1.720 3.450 ( -1.774 0.942 1.245) 2.364 3.467 ( -0.434 -0.460 0.062) 0.636 3.517 ( -2.117 0.578 0.928) 2.382 3.539 ( -1.243 -1.128 0.184) 1.689 3.601 ( 1.151 0.841 -0.190) 1.438 3.613 ( 1.860 -0.256 -0.530) 1.951 3.645 ( -1.380 0.437 1.651) 2.196 3.653 ( -0.270 -0.151 1.991) 2.015 3.691 ( -0.931 1.073 -0.261) 1.444 3.713 ( 0.212 -1.287 0.631) 1.449 3.817 ( 0.634 1.208 1.416) 1.966 3.831 ( 0.799 -0.214 -0.362) 0.903 3.837 ( -0.168 -0.042 -0.212) 0.274 3.845 ( 1.214 -0.774 3.731) 3.999 3.939 ( -1.586 -0.009 0.086) 1.589 3.944 ( -1.986 -0.472 0.135) 2.046 3.964 ( -0.212 0.882 2.253) 2.429 3.976 ( -0.297 -0.525 2.108) 2.193 4.608 ( -0.922 1.142 0.556) 1.570 4.630 ( -0.435 -1.255 1.235) 1.814 4.656 ( 0.945 0.683 -1.339) 1.775 4.668 ( 1.187 -0.624 -0.884) 1.607 4.967 ( -0.461 0.026 -0.244) 0.522 4.968 ( -0.517 -0.097 -0.279) 0.595 4.977 ( -0.365 0.258 -0.099) 0.457 4.981 ( -0.147 -0.122 0.104) 0.218 5.421 ( 0.726 0.185 -0.206) 0.777 5.428 ( 0.861 -0.669 0.670) 1.280 5.469 ( 0.547 0.768 0.685) 1.165 5.478 ( 0.793 -0.261 1.482) 1.701 5.650 ( -2.757 0.104 0.460) 2.797 5.653 ( -2.860 -0.223 0.368) 2.892 5.712 ( -0.756 0.244 0.833) 1.151 5.715 ( -0.492 -0.048 0.633) 0.803 5.848 ( -0.909 0.329 2.316) 2.509 5.855 ( -0.677 -0.363 2.023) 2.164 5.937 ( 2.504 0.251 -2.939) 3.869 5.941 ( 2.695 -0.217 -2.909) 3.972 6.155 ( -0.361 0.181 0.441) 0.598 6.159 ( -0.222 -0.279 0.462) 0.583 6.168 ( 0.565 0.134 -0.067) 0.585 6.171 ( 0.431 -0.144 -0.572) 0.731 6.367 ( -0.453 0.179 -1.376) 1.459 6.369 ( -0.292 -0.103 -1.515) 1.547 6.617 ( -2.368 0.243 -0.974) 2.572 6.622 ( -2.332 -0.339 -2.315) 3.304 ======================= Grid point 72 (46/50) ======================= q-point: ( 0.29 0.33 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -1.243 -0.490 -4.542) 4.734 1.091 ( -1.390 -3.631 -8.350) 9.210 1.199 ( -2.090 2.440 3.276) 4.589 1.260 ( -2.266 -3.220 1.691) 4.285 1.279 ( -3.568 -0.550 3.983) 5.376 1.290 ( -3.916 -1.401 4.361) 6.026 1.307 ( -3.419 2.979 6.248) 7.720 1.348 ( -4.145 -1.986 7.881) 9.123 1.419 ( -8.947 1.664 0.227) 9.103 1.452 ( -5.481 -0.431 -3.039) 6.282 1.494 ( -1.860 3.825 1.554) 4.529 1.521 ( 1.507 2.520 2.336) 3.752 1.588 ( -0.845 -0.743 -1.710) 2.047 1.616 ( 2.346 2.928 1.173) 3.931 1.687 ( -1.886 4.059 0.949) 4.575 1.728 ( 1.173 -2.833 2.190) 3.768 1.760 ( -0.183 -1.148 1.740) 2.093 1.768 ( -7.329 -1.747 -4.611) 8.833 1.810 ( 0.351 3.195 -3.424) 4.696 1.849 ( -4.362 1.100 -0.662) 4.547 1.875 ( -3.278 -2.476 -2.582) 4.852 1.893 ( -0.101 1.345 -0.778) 1.557 1.922 ( -2.550 -3.037 -1.865) 4.383 1.956 ( -2.544 1.967 -1.589) 3.587 1.974 ( 1.117 -2.935 3.436) 4.655 2.014 ( -4.288 -3.496 -0.472) 5.553 2.080 ( 1.529 2.308 1.808) 3.306 2.095 ( 3.832 0.958 1.712) 4.305 2.135 ( -1.763 0.116 0.273) 1.788 2.163 ( -1.615 -2.799 -2.096) 3.851 2.183 ( 1.042 -0.141 -3.224) 3.391 2.220 ( -0.675 -1.350 -0.230) 1.527 2.224 ( 0.479 0.443 -0.599) 0.886 2.266 ( -1.713 -2.909 -0.517) 3.415 2.306 ( 0.988 2.261 -2.543) 3.544 2.330 ( 0.984 -0.751 -2.869) 3.124 2.409 ( -1.298 1.511 -2.359) 3.088 2.423 ( -1.890 0.100 -1.349) 2.325 2.461 ( 4.399 1.503 -9.330) 10.424 2.491 ( 1.269 -2.294 -3.914) 4.711 2.539 ( 2.034 2.335 0.211) 3.104 2.591 ( 3.100 -3.789 -3.954) 6.293 2.599 ( 4.163 3.400 4.570) 7.055 2.636 ( 2.771 -0.884 -0.137) 2.912 2.659 ( 1.391 0.334 -5.572) 5.753 2.691 ( -0.762 -2.234 -3.794) 4.469 2.743 ( 0.106 2.409 -3.241) 4.040 2.772 ( -0.563 -0.831 -0.344) 1.061 2.804 ( -1.280 2.290 -2.073) 3.343 2.848 ( -3.315 -1.873 -2.715) 4.676 2.905 ( -2.367 3.627 -1.654) 4.636 2.956 ( -1.468 -0.955 -0.629) 1.861 3.067 ( 3.602 4.001 -1.835) 5.687 3.116 ( 1.130 0.502 -3.275) 3.501 3.171 ( -1.630 0.612 -0.730) 1.888 3.191 ( -0.150 1.378 -0.770) 1.586 3.208 ( 3.737 -4.556 0.070) 5.893 3.232 ( 3.406 -4.003 -1.508) 5.468 3.306 ( 0.713 0.629 -0.490) 1.070 3.341 ( 0.070 -3.613 0.372) 3.632 3.431 ( 1.446 1.115 2.196) 2.855 3.440 ( 0.503 1.029 1.913) 2.229 3.448 ( 1.239 0.954 2.304) 2.784 3.471 ( 0.433 -0.886 1.732) 1.993 3.506 ( 0.569 2.392 0.772) 2.578 3.535 ( 0.104 0.097 1.348) 1.355 3.610 ( 0.311 1.140 0.432) 1.258 3.631 ( -0.936 0.838 0.747) 1.462 3.637 ( 1.200 -0.546 -0.629) 1.461 3.666 ( -0.026 -1.271 0.466) 1.354 3.690 ( 0.191 0.928 1.228) 1.551 3.717 ( -0.468 -2.049 0.511) 2.163 3.830 ( 0.734 0.073 0.031) 0.738 3.834 ( 0.286 -0.256 -0.025) 0.385 3.871 ( 1.983 1.709 1.117) 2.846 3.897 ( -0.504 -1.277 1.604) 2.111 3.915 ( -1.150 0.014 0.710) 1.351 3.927 ( 1.172 -1.018 3.135) 3.498 3.975 ( -0.869 1.355 3.218) 3.599 3.990 ( -0.370 -0.440 3.595) 3.641 4.604 ( -0.167 1.728 1.091) 2.050 4.636 ( -0.085 -1.689 1.461) 2.235 4.660 ( 0.879 1.189 -1.462) 2.079 4.682 ( 1.013 -1.122 -0.993) 1.809 4.954 ( -0.454 -0.006 -0.551) 0.714 4.955 ( -0.511 -0.135 -0.408) 0.668 4.972 ( -0.378 0.551 0.280) 0.724 4.980 ( -0.128 -0.365 0.153) 0.416 5.451 ( 2.214 0.316 0.848) 2.392 5.460 ( 1.795 -0.760 1.611) 2.528 5.494 ( 1.030 0.840 1.529) 2.026 5.504 ( 0.585 -0.359 1.986) 2.102 5.607 ( -2.416 -0.006 0.684) 2.511 5.607 ( -2.496 -0.034 0.784) 2.616 5.678 ( -2.901 0.298 -0.439) 2.949 5.683 ( -2.846 -0.229 -0.471) 2.893 5.867 ( 0.319 0.249 3.300) 3.324 5.873 ( 0.217 -0.315 3.249) 3.271 5.954 ( 2.066 0.442 -3.336) 3.949 5.962 ( 2.123 -0.388 -3.196) 3.856 6.151 ( -0.144 0.290 0.183) 0.372 6.159 ( 0.116 -0.649 0.206) 0.690 6.182 ( 1.091 0.520 0.093) 1.212 6.189 ( 1.575 -0.271 0.474) 1.667 6.335 ( -1.364 0.233 -2.511) 2.867 6.339 ( -1.271 -0.179 -2.796) 3.076 6.537 ( -4.133 0.070 -4.213) 5.902 6.539 ( -4.209 -0.092 -3.376) 5.397 ======================= Grid point 73 (47/50) ======================= q-point: (-0.57 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -0.092 4.198 -6.341) 7.605 1.061 ( -6.320 2.345 -4.242) 7.965 1.083 ( 1.075 -0.743 -0.710) 1.487 1.178 ( -4.747 -7.983 3.241) 9.838 1.236 ( -1.201 7.630 -7.533) 10.790 1.260 ( -5.488 4.162 -3.506) 7.729 1.353 ( 4.100 1.385 4.341) 6.129 1.380 ( 0.987 -2.876 5.921) 6.656 1.399 ( 3.457 -3.400 6.801) 8.352 1.417 ( 2.089 -4.978 3.664) 6.525 1.496 ( 1.853 0.207 1.227) 2.232 1.521 ( 1.635 -0.927 -3.998) 4.418 1.556 ( -0.480 -2.737 -1.881) 3.355 1.588 ( -3.117 -4.573 -4.081) 6.877 1.622 ( -3.595 4.561 -2.432) 6.297 1.664 ( -3.928 1.254 -1.754) 4.481 1.721 ( -2.093 2.035 -4.627) 5.471 1.764 ( -0.569 -1.103 -2.391) 2.693 1.782 ( -2.758 -1.345 -0.279) 3.081 1.826 ( -1.160 -1.795 -3.085) 3.753 1.848 ( 2.862 4.764 4.174) 6.950 1.874 ( 3.014 2.482 1.591) 4.216 1.916 ( -0.066 3.892 -1.774) 4.278 1.935 ( 0.001 1.591 -1.105) 1.937 1.995 ( 2.657 -2.604 6.113) 7.156 2.026 ( -0.928 -3.513 -0.484) 3.666 2.070 ( 0.556 -0.259 0.181) 0.640 2.109 ( 0.233 0.901 0.080) 0.934 2.117 ( -1.322 -1.081 -2.164) 2.756 2.141 ( -2.164 -2.611 1.312) 3.636 2.182 ( -0.423 -0.198 0.287) 0.548 2.190 ( 0.452 -1.145 -0.362) 1.283 2.265 ( 1.746 0.843 1.500) 2.451 2.285 ( 0.520 -1.144 1.204) 1.741 2.304 ( -1.134 1.415 -2.716) 3.266 2.319 ( 1.228 0.377 0.119) 1.290 2.358 ( -1.253 1.256 0.312) 1.801 2.386 ( -2.448 -0.255 0.490) 2.509 2.445 ( -1.956 0.302 -2.642) 3.301 2.457 ( 0.637 -0.410 -3.058) 3.150 2.517 ( -2.533 0.915 -1.990) 3.348 2.550 ( -4.678 -1.476 -1.491) 5.127 2.650 ( 0.444 1.150 -2.363) 2.665 2.661 ( 0.334 -0.689 -2.723) 2.829 2.681 ( -2.323 0.611 -1.495) 2.829 2.689 ( 1.838 -0.197 -2.266) 2.924 2.708 ( -0.110 0.150 -0.540) 0.571 2.734 ( -1.616 -2.227 -2.125) 3.477 2.771 ( 0.297 1.712 -0.428) 1.789 2.789 ( -0.020 -0.194 -2.496) 2.504 2.864 ( -0.731 2.593 -0.585) 2.757 2.924 ( -1.578 -3.511 -1.259) 4.050 3.094 ( -0.799 2.956 2.179) 3.758 3.110 ( 0.703 3.358 -0.894) 3.545 3.159 ( 0.145 3.740 0.174) 3.747 3.175 ( -0.864 4.173 -0.326) 4.274 3.244 ( 0.136 -6.042 0.413) 6.057 3.264 ( 0.812 -6.646 -1.389) 6.838 3.321 ( 1.291 -1.511 -0.317) 2.013 3.326 ( -1.245 -2.565 0.406) 2.880 3.456 ( 0.587 0.951 2.013) 2.302 3.470 ( 0.056 -0.317 1.276) 1.316 3.489 ( 1.403 0.755 1.097) 1.934 3.501 ( 1.524 -0.294 0.744) 1.721 3.541 ( -1.578 4.084 3.168) 5.404 3.545 ( 2.606 3.868 0.140) 4.666 3.629 ( 0.450 0.294 0.585) 0.795 3.630 ( 0.885 0.361 -0.396) 1.035 3.651 ( 1.249 0.189 -0.878) 1.539 3.666 ( 0.221 -0.889 -0.009) 0.916 3.698 ( 0.368 -1.703 -0.403) 1.788 3.704 ( -0.643 -2.628 -0.400) 2.735 3.840 ( 0.296 -0.038 0.286) 0.413 3.847 ( 0.924 -1.280 0.403) 1.629 3.866 ( -1.377 0.085 -0.333) 1.419 3.878 ( -1.188 -1.664 -0.311) 2.068 3.952 ( 3.384 3.110 1.015) 4.707 3.977 ( -0.869 2.575 1.906) 3.320 3.996 ( 2.948 -1.770 2.149) 4.055 4.012 ( 0.013 -1.309 2.702) 3.003 4.614 ( 0.051 1.766 1.483) 2.307 4.644 ( 0.012 -1.278 0.692) 1.453 4.667 ( 0.718 1.064 -0.856) 1.542 4.690 ( 0.820 -1.189 -1.317) 1.955 4.947 ( 0.071 -0.060 -0.428) 0.438 4.948 ( 0.137 -0.138 -0.444) 0.485 4.969 ( 0.012 0.634 0.054) 0.636 4.979 ( 0.169 -0.446 -0.471) 0.670 5.494 ( 0.628 0.159 2.387) 2.474 5.502 ( 0.830 -0.506 2.292) 2.490 5.523 ( 1.072 0.527 0.682) 1.375 5.531 ( 1.545 -0.196 0.411) 1.610 5.579 ( -1.310 0.170 1.328) 1.873 5.582 ( -1.162 -0.165 1.342) 1.783 5.623 ( -1.984 0.301 -1.203) 2.339 5.628 ( -1.798 -0.215 -1.490) 2.345 5.891 ( -0.695 0.162 3.683) 3.752 5.896 ( -0.899 -0.349 4.058) 4.171 5.965 ( 1.808 0.394 -3.191) 3.689 5.971 ( 1.621 -0.318 -3.285) 3.677 6.158 ( 0.675 0.472 0.399) 0.916 6.170 ( 0.843 -0.884 0.240) 1.245 6.207 ( 1.199 1.101 0.265) 1.649 6.224 ( 1.538 -0.798 -0.125) 1.738 6.292 ( -1.382 0.033 -1.710) 2.199 6.292 ( -1.406 0.011 -1.682) 2.192 6.433 ( -3.539 0.246 -4.363) 5.624 6.437 ( -3.700 -0.198 -3.972) 5.432 ======================= Grid point 74 (48/50) ======================= q-point: (-0.43 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -6.440 9.347 1.751) 11.485 1.016 ( 0.563 6.539 1.348) 6.701 1.090 ( -2.229 2.128 2.981) 4.288 1.162 ( 3.456 0.666 -6.061) 7.009 1.202 ( 3.066 0.319 2.315) 3.855 1.255 ( 7.548 -8.064 -4.201) 11.818 1.390 ( -2.681 -8.687 2.426) 9.409 1.454 ( 2.970 -5.426 0.294) 6.192 1.466 ( 2.554 0.152 -2.582) 3.635 1.476 ( 1.820 5.165 -3.069) 6.278 1.523 ( 5.704 -0.837 0.361) 5.776 1.575 ( 6.343 2.534 -2.483) 7.267 1.586 ( 2.654 -2.569 -0.983) 3.822 1.588 ( 1.679 2.059 -3.788) 4.627 1.612 ( 2.479 -3.604 -3.557) 5.638 1.622 ( 3.604 -1.775 -4.962) 6.384 1.662 ( -3.361 -1.128 -0.279) 3.557 1.717 ( 3.972 -5.829 2.687) 7.548 1.778 ( 2.010 -1.270 -2.006) 3.111 1.791 ( 3.788 -2.462 -2.395) 5.114 1.871 ( -1.913 4.442 0.380) 4.851 1.893 ( -0.759 2.991 0.517) 3.128 1.925 ( -0.742 3.937 -0.735) 4.073 1.943 ( -0.016 3.390 -0.576) 3.438 2.044 ( -2.134 5.051 -3.078) 6.288 2.061 ( -1.061 0.627 1.076) 1.636 2.064 ( 4.272 3.992 2.641) 6.416 2.088 ( 0.058 -0.899 0.311) 0.953 2.128 ( -0.535 -2.374 0.364) 2.461 2.138 ( -0.120 -2.458 0.014) 2.461 2.168 ( 0.452 0.392 0.889) 1.071 2.200 ( 1.164 -2.108 -1.140) 2.664 2.251 ( -3.585 0.144 2.930) 4.633 2.265 ( -2.952 0.776 3.103) 4.353 2.280 ( -1.310 -0.652 1.725) 2.262 2.304 ( -4.328 -0.653 1.734) 4.707 2.331 ( -0.816 -1.277 -0.224) 1.532 2.375 ( -4.261 -4.433 3.507) 7.079 2.422 ( -3.782 1.864 -0.995) 4.332 2.452 ( -4.489 -1.175 -0.336) 4.653 2.459 ( 3.210 3.453 3.058) 5.620 2.494 ( 1.899 0.303 0.987) 2.161 2.568 ( -6.569 2.940 2.977) 7.788 2.612 ( -4.077 -1.120 3.365) 5.404 2.639 ( -1.066 0.592 -0.407) 1.285 2.675 ( -0.076 -3.525 -1.506) 3.834 2.705 ( -1.376 1.943 0.352) 2.407 2.728 ( 2.423 -0.620 -1.524) 2.929 2.781 ( 1.011 1.999 -1.132) 2.510 2.807 ( 1.611 -0.129 -2.143) 2.684 2.885 ( 1.018 -2.550 1.232) 3.010 2.894 ( 1.107 -3.308 -0.931) 3.610 3.074 ( -4.584 5.135 3.142) 7.566 3.109 ( -1.018 3.436 0.547) 3.626 3.156 ( -0.572 4.852 0.715) 4.938 3.170 ( 0.622 2.165 0.277) 2.269 3.230 ( -2.674 -5.608 1.892) 6.494 3.241 ( -2.171 -6.872 0.181) 7.209 3.310 ( -0.654 0.003 0.215) 0.688 3.345 ( 1.522 -2.904 -1.096) 3.457 3.468 ( -0.743 0.976 0.743) 1.434 3.471 ( 0.075 0.068 0.548) 0.557 3.512 ( 0.954 0.609 -0.467) 1.224 3.519 ( 0.371 0.044 -1.088) 1.151 3.535 ( -0.714 3.243 0.800) 3.416 3.574 ( 0.239 1.026 0.440) 1.141 3.621 ( -2.006 1.169 0.910) 2.494 3.638 ( 0.260 2.355 -0.883) 2.528 3.658 ( 0.257 -2.335 -0.884) 2.510 3.667 ( 0.973 0.102 -1.223) 1.566 3.705 ( 0.871 -1.424 -0.386) 1.714 3.711 ( 1.243 -1.346 -1.248) 2.217 3.841 ( -0.943 0.077 0.420) 1.035 3.847 ( -0.629 -0.164 0.001) 0.650 3.859 ( 0.335 -0.466 0.487) 0.753 3.879 ( 1.683 -2.392 -0.243) 2.935 3.970 ( -0.336 3.548 -0.828) 3.659 4.013 ( 2.384 0.845 -1.329) 2.858 4.025 ( 1.365 -0.927 -1.028) 1.944 4.050 ( 2.465 -1.453 -1.103) 3.066 4.624 ( -0.196 1.591 1.482) 2.183 4.647 ( 0.266 -0.216 -0.629) 0.716 4.668 ( -0.265 0.451 -0.209) 0.564 4.690 ( 0.528 -1.357 -1.945) 2.430 4.949 ( 0.416 0.042 -0.509) 0.659 4.950 ( 0.490 -0.092 -0.652) 0.821 4.975 ( 0.783 0.327 -0.294) 0.898 4.981 ( 0.779 -0.290 -1.083) 1.365 5.503 ( -1.611 0.140 1.883) 2.482 5.507 ( -1.809 -0.303 1.513) 2.378 5.532 ( -0.156 0.403 -0.095) 0.442 5.540 ( -0.091 -0.433 -0.580) 0.730 5.591 ( 1.161 -0.021 1.665) 2.030 5.592 ( 1.358 -0.155 1.227) 1.836 5.611 ( 1.805 0.632 -1.061) 2.187 5.618 ( 1.457 -0.139 -1.741) 2.275 5.896 ( -1.674 0.145 3.461) 3.847 5.901 ( -1.247 -0.453 3.417) 3.666 5.967 ( 0.853 0.502 -3.449) 3.588 5.975 ( 1.280 -0.394 -3.338) 3.597 6.166 ( -0.525 0.455 0.174) 0.717 6.175 ( -0.735 -0.450 -1.366) 1.615 6.213 ( -0.207 0.162 -0.026) 0.264 6.216 ( -0.496 -0.201 -0.929) 1.072 6.287 ( 0.476 -0.007 0.577) 0.748 6.287 ( 0.327 -0.052 0.201) 0.388 6.378 ( -0.012 0.281 -0.080) 0.292 6.382 ( 0.791 -0.172 0.452) 0.927 ======================= Grid point 75 (49/50) ======================= q-point: (-0.29 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -3.095 4.199 10.113) 11.380 0.999 ( -4.666 -10.358 1.877) 11.514 1.121 ( 1.762 13.422 13.829) 19.352 1.232 ( 5.799 3.898 -0.737) 7.026 1.362 ( 9.147 -2.189 1.197) 9.481 1.381 ( 0.105 0.877 -3.389) 3.502 1.393 ( 9.353 -6.080 -1.680) 11.281 1.427 ( -0.595 -2.571 0.301) 2.656 1.471 ( 1.574 -1.350 -2.790) 3.477 1.507 ( 0.965 1.609 -5.983) 6.271 1.548 ( 1.411 -3.821 -3.460) 5.345 1.559 ( 5.684 -1.530 -8.854) 10.632 1.652 ( 8.917 0.355 -8.621) 12.408 1.666 ( 5.328 -0.523 2.125) 5.760 1.688 ( 4.475 0.479 -2.854) 5.329 1.708 ( 3.900 1.691 3.192) 5.316 1.748 ( 7.143 -0.306 -1.237) 7.256 1.764 ( -0.002 -1.359 0.215) 1.376 1.826 ( 0.834 1.980 -0.764) 2.280 1.837 ( -1.660 3.622 -1.166) 4.152 1.858 ( 4.743 2.526 -1.302) 5.529 1.905 ( -0.736 0.756 -0.509) 1.172 1.923 ( 2.698 -1.640 -0.980) 3.305 1.935 ( 3.539 0.150 -1.122) 3.716 1.999 ( -4.395 0.197 1.761) 4.739 2.046 ( 1.961 0.738 1.393) 2.516 2.067 ( -2.103 -3.655 -2.856) 5.093 2.082 ( -0.828 0.691 3.913) 4.058 2.104 ( -1.446 -2.072 3.653) 4.442 2.140 ( -2.143 -3.492 0.484) 4.126 2.172 ( -1.486 3.544 0.707) 3.907 2.206 ( -1.584 0.083 0.192) 1.598 2.215 ( -1.495 0.727 3.166) 3.576 2.237 ( -1.805 0.432 0.006) 1.856 2.250 ( -1.963 -0.446 3.121) 3.714 2.269 ( -4.166 -3.929 3.772) 6.857 2.309 ( -3.228 0.833 1.741) 3.761 2.329 ( -3.455 -2.509 3.059) 5.253 2.370 ( 0.656 1.193 1.981) 2.404 2.389 ( -1.375 -0.460 2.304) 2.722 2.500 ( -0.830 2.912 2.600) 3.991 2.536 ( -0.133 2.074 2.447) 3.211 2.577 ( -2.078 -2.543 2.887) 4.373 2.585 ( 3.016 0.894 4.241) 5.280 2.624 ( -1.204 3.737 2.943) 4.907 2.679 ( 0.131 1.675 2.545) 3.049 2.710 ( 1.043 -0.957 2.157) 2.580 2.758 ( 1.071 -2.349 -1.694) 3.088 2.794 ( 0.944 0.833 -0.989) 1.601 2.809 ( 0.355 -0.577 0.997) 1.205 2.889 ( 0.411 1.599 -0.229) 1.667 2.938 ( 0.826 -3.525 1.761) 4.026 2.993 ( -6.087 6.657 4.433) 10.051 3.083 ( -2.033 0.251 0.949) 2.257 3.150 ( -2.759 -2.194 2.181) 4.145 3.181 ( 0.288 0.458 0.813) 0.977 3.197 ( -1.031 -3.040 0.064) 3.211 3.210 ( -0.636 -2.187 -0.041) 2.278 3.298 ( -0.642 0.901 0.045) 1.107 3.350 ( -0.665 -3.648 -0.477) 3.738 3.454 ( -1.114 2.068 -0.418) 2.385 3.471 ( -0.231 -0.099 -1.070) 1.099 3.503 ( -0.062 1.058 -2.793) 2.987 3.513 ( -0.677 0.109 -2.210) 2.314 3.526 ( 0.973 1.499 -1.117) 2.108 3.562 ( -0.623 -1.521 -1.334) 2.117 3.602 ( -0.788 1.434 1.221) 2.042 3.616 ( -1.656 0.589 0.307) 1.785 3.670 ( 0.568 -0.096 -1.269) 1.394 3.675 ( 0.923 -0.501 -0.668) 1.245 3.712 ( 0.369 0.260 -0.760) 0.884 3.721 ( 0.742 -0.304 -0.476) 0.933 3.824 ( -1.247 0.128 0.454) 1.334 3.833 ( -0.923 -0.658 0.049) 1.135 3.874 ( 0.539 2.109 0.274) 2.194 3.910 ( 1.669 -2.002 -0.181) 2.613 3.953 ( 0.057 2.395 -2.654) 3.575 4.000 ( -0.574 -2.412 -3.605) 4.375 4.047 ( 1.612 0.617 -3.842) 4.212 4.062 ( 0.647 -0.736 -3.412) 3.550 4.629 ( -0.417 1.565 1.388) 2.133 4.641 ( 0.336 1.848 -2.451) 3.088 4.660 ( -0.796 -1.266 1.096) 1.854 4.680 ( 0.207 -1.792 -2.589) 3.155 4.956 ( 0.843 0.084 -0.613) 1.046 4.957 ( 0.888 -0.044 -0.705) 1.135 4.986 ( 0.696 0.060 -0.809) 1.069 4.988 ( 0.757 -0.056 -1.065) 1.308 5.467 ( -2.391 0.464 -0.530) 2.492 5.475 ( -2.309 -0.387 0.214) 2.351 5.528 ( -0.129 0.169 -0.772) 0.801 5.532 ( -0.402 -0.344 -1.236) 1.345 5.617 ( 1.005 0.126 -0.489) 1.124 5.620 ( 1.365 -0.223 -0.470) 1.461 5.655 ( 3.037 0.726 1.623) 3.519 5.666 ( 3.630 -0.436 1.089) 3.815 5.889 ( -1.566 0.520 2.889) 3.327 5.901 ( -1.271 -0.790 2.396) 2.825 5.939 ( -1.027 0.613 -3.543) 3.739 5.949 ( -1.249 -0.455 -4.030) 4.244 6.151 ( -0.407 0.128 0.014) 0.427 6.154 ( -0.488 -0.032 0.302) 0.575 6.198 ( -0.923 0.003 -1.055) 1.402 6.200 ( -1.120 -0.197 -0.532) 1.255 6.302 ( 1.504 0.081 0.768) 1.691 6.304 ( 1.436 -0.109 0.706) 1.604 6.444 ( 4.096 0.856 5.014) 6.531 6.459 ( 4.548 -0.753 4.541) 6.471 ======================= Grid point 76 (50/50) ======================= q-point: (-0.14 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 3.34e-04 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 1.178 -4.315 16.625) 17.217 0.961 ( -2.937 -6.206 8.972) 11.298 1.267 ( 1.452 6.725 4.185) 8.053 1.274 ( 1.170 6.515 1.019) 6.697 1.345 ( -1.401 3.473 -3.243) 4.954 1.414 ( 1.428 -0.547 0.464) 1.598 1.465 ( -0.735 -1.067 3.128) 3.386 1.488 ( 2.020 -3.444 -0.788) 4.070 1.508 ( 4.520 -2.688 -1.290) 5.415 1.528 ( 2.501 -2.748 -0.661) 3.774 1.591 ( -4.358 5.402 -4.046) 8.034 1.630 ( 4.472 3.999 -2.213) 6.394 1.686 ( 0.666 -1.405 -5.462) 5.679 1.693 ( 1.702 1.956 1.032) 2.790 1.718 ( 6.965 -0.627 -5.637) 8.982 1.742 ( 0.917 -2.362 -4.311) 5.001 1.762 ( 4.044 -1.475 0.401) 4.323 1.817 ( 5.182 -3.102 -0.342) 6.050 1.837 ( -1.955 3.214 -2.276) 4.397 1.875 ( 0.121 4.189 3.364) 5.373 1.890 ( -0.022 -1.343 -0.393) 1.399 1.940 ( 2.811 -2.803 0.708) 4.032 1.958 ( 0.209 1.272 2.916) 3.188 1.973 ( 1.127 -0.556 2.332) 2.649 2.016 ( 0.788 -0.497 -2.125) 2.320 2.036 ( 3.968 -1.760 0.611) 4.383 2.075 ( 2.529 0.749 0.430) 2.672 2.099 ( 2.149 -0.977 -1.912) 3.038 2.113 ( -0.862 2.404 1.226) 2.833 2.144 ( -4.154 -0.190 2.333) 4.768 2.155 ( 1.486 0.759 2.397) 2.920 2.178 ( -3.122 -0.857 4.363) 5.433 2.196 ( 1.813 -2.570 1.033) 3.310 2.222 ( -2.879 -6.040 10.951) 12.833 2.256 ( 0.547 -0.497 -0.073) 0.743 2.266 ( -0.386 -0.919 -0.338) 1.053 2.296 ( 2.715 1.751 3.646) 4.872 2.323 ( 2.156 -0.864 2.177) 3.184 2.409 ( 0.659 0.765 1.555) 1.854 2.419 ( -0.139 0.138 2.094) 2.103 2.474 ( -4.257 0.409 2.747) 5.083 2.487 ( -5.319 -0.604 2.086) 5.745 2.609 ( 0.828 4.785 0.726) 4.910 2.629 ( 2.270 2.248 1.380) 3.480 2.667 ( 0.450 0.732 -3.834) 3.929 2.688 ( 2.358 -2.818 0.169) 3.678 2.732 ( 1.771 2.810 0.982) 3.464 2.771 ( -1.270 -1.429 2.156) 2.881 2.786 ( 0.912 2.654 -0.686) 2.889 2.848 ( 2.909 -2.040 1.548) 3.875 2.912 ( 1.241 1.386 0.947) 2.088 2.942 ( -0.534 0.718 2.093) 2.276 2.960 ( -0.418 4.242 2.048) 4.729 3.059 ( -2.936 -4.693 2.328) 6.005 3.099 ( -2.461 -1.557 0.707) 2.997 3.131 ( -4.417 -4.422 -1.281) 6.380 3.227 ( 1.357 1.951 0.433) 2.415 3.231 ( 3.330 1.756 -0.098) 3.766 3.303 ( 1.020 -0.496 -0.475) 1.229 3.322 ( -1.522 -2.852 -0.994) 3.382 3.420 ( -1.796 1.513 -0.940) 2.529 3.438 ( -1.933 -0.042 -1.450) 2.417 3.480 ( -0.216 0.788 -2.215) 2.361 3.484 ( -0.386 -0.030 -1.973) 2.011 3.550 ( 2.325 0.160 -1.535) 2.791 3.557 ( 1.182 -0.278 -1.771) 2.148 3.589 ( -1.687 0.542 1.424) 2.273 3.595 ( -1.347 0.026 0.563) 1.461 3.665 ( -0.658 0.139 0.032) 0.674 3.672 ( -0.587 -0.640 0.169) 0.885 3.711 ( 0.268 1.135 -1.439) 1.852 3.728 ( 0.577 -0.686 -1.134) 1.445 3.806 ( -1.269 0.092 1.113) 1.691 3.814 ( -1.438 -0.523 0.764) 1.710 3.868 ( -0.490 3.636 -1.855) 4.111 3.925 ( -0.075 -2.353 -2.270) 3.271 3.942 ( 0.261 0.508 -1.162) 1.295 3.959 ( -0.122 -1.130 -2.655) 2.888 4.024 ( -0.928 0.035 -3.372) 3.497 4.029 ( -1.316 -0.344 -3.229) 3.503 4.628 ( -0.248 1.367 0.139) 1.397 4.633 ( 0.252 1.743 -0.787) 1.929 4.652 ( -0.909 -1.264 0.623) 1.677 4.666 ( 0.337 -1.691 -2.246) 2.832 4.967 ( 0.763 0.102 -0.462) 0.897 4.969 ( 0.754 -0.019 -0.507) 0.909 4.987 ( 0.185 0.139 -0.889) 0.919 4.990 ( 0.188 -0.134 -0.714) 0.751 5.427 ( -1.234 0.613 -0.803) 1.595 5.441 ( -1.147 -0.943 -0.517) 1.572 5.497 ( -1.677 0.780 -2.029) 2.746 5.508 ( -1.351 -0.423 -1.296) 1.919 5.647 ( 2.015 0.069 0.898) 2.207 5.649 ( 1.922 -0.203 0.623) 2.031 5.709 ( 1.054 0.650 1.049) 1.623 5.719 ( 0.989 -0.454 0.272) 1.121 5.880 ( -1.642 0.401 2.439) 2.968 5.888 ( -1.894 -0.471 1.961) 2.767 5.899 ( 0.016 0.172 -2.658) 2.664 5.902 ( -0.299 -0.108 -2.587) 2.606 6.151 ( -0.087 0.233 0.682) 0.726 6.157 ( 0.292 -0.391 0.130) 0.505 6.177 ( -0.586 0.209 -0.728) 0.958 6.181 ( -0.334 -0.163 -1.021) 1.087 6.341 ( 1.611 0.027 1.202) 2.010 6.341 ( 1.624 -0.028 1.148) 1.989 6.557 ( 3.939 0.966 4.437) 6.012 6.575 ( 4.462 -1.003 3.314) 5.648 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/15876 10.0 280.787 271.052 314.030 0.000 -20.141 0.000 3/15876 20.0 49.947 44.572 59.069 0.000 -1.163 0.000 3/15876 30.0 21.064 18.162 24.648 0.000 -0.566 0.000 3/15876 40.0 12.644 10.689 14.664 0.000 -0.370 0.000 3/15876 50.0 8.940 7.475 10.309 0.000 -0.269 0.000 3/15876 60.0 6.909 5.739 7.937 0.000 -0.209 0.000 3/15876 70.0 5.637 4.662 6.460 0.000 -0.169 0.000 3/15876 80.0 4.769 3.932 5.456 0.000 -0.142 0.000 3/15876 90.0 4.139 3.405 4.730 0.000 -0.121 0.000 3/15876 100.0 3.660 3.006 4.180 0.000 -0.106 0.000 3/15876 110.0 3.284 2.693 3.748 0.000 -0.094 0.000 3/15876 120.0 2.980 2.441 3.399 0.000 -0.084 0.000 3/15876 130.0 2.729 2.233 3.112 0.000 -0.076 0.000 3/15876 140.0 2.518 2.059 2.871 0.000 -0.070 0.000 3/15876 150.0 2.339 1.910 2.666 0.000 -0.064 0.000 3/15876 160.0 2.184 1.783 2.488 0.000 -0.060 0.000 3/15876 170.0 2.048 1.671 2.334 0.000 -0.056 0.000 3/15876 180.0 1.929 1.573 2.198 0.000 -0.052 0.000 3/15876 190.0 1.823 1.486 2.077 0.000 -0.049 0.000 3/15876 200.0 1.728 1.408 1.969 0.000 -0.046 0.000 3/15876 210.0 1.643 1.339 1.872 0.000 -0.044 0.000 3/15876 220.0 1.566 1.276 1.784 0.000 -0.041 0.000 3/15876 230.0 1.496 1.218 1.704 0.000 -0.039 0.000 3/15876 240.0 1.432 1.166 1.631 0.000 -0.038 0.000 3/15876 250.0 1.374 1.118 1.564 0.000 -0.036 0.000 3/15876 260.0 1.320 1.074 1.503 0.000 -0.034 0.000 3/15876 270.0 1.270 1.033 1.446 0.000 -0.033 0.000 3/15876 280.0 1.224 0.995 1.394 0.000 -0.032 0.000 3/15876 290.0 1.181 0.960 1.345 0.000 -0.031 0.000 3/15876 300.0 1.141 0.928 1.299 0.000 -0.030 0.000 3/15876 310.0 1.103 0.897 1.257 0.000 -0.029 0.000 3/15876 320.0 1.068 0.869 1.217 0.000 -0.028 0.000 3/15876 330.0 1.036 0.842 1.179 0.000 -0.027 0.000 3/15876 340.0 1.005 0.817 1.144 0.000 -0.026 0.000 3/15876 350.0 0.976 0.793 1.111 0.000 -0.025 0.000 3/15876 360.0 0.948 0.771 1.080 0.000 -0.024 0.000 3/15876 370.0 0.923 0.750 1.051 0.000 -0.024 0.000 3/15876 380.0 0.898 0.730 1.023 0.000 -0.023 0.000 3/15876 390.0 0.875 0.711 0.996 0.000 -0.022 0.000 3/15876 400.0 0.853 0.693 0.971 0.000 -0.022 0.000 3/15876 410.0 0.832 0.676 0.947 0.000 -0.021 0.000 3/15876 420.0 0.812 0.660 0.925 0.000 -0.021 0.000 3/15876 430.0 0.793 0.644 0.903 0.000 -0.020 0.000 3/15876 440.0 0.775 0.629 0.882 0.000 -0.020 0.000 3/15876 450.0 0.758 0.615 0.863 0.000 -0.019 0.000 3/15876 460.0 0.741 0.602 0.844 0.000 -0.019 0.000 3/15876 470.0 0.725 0.589 0.826 0.000 -0.018 0.000 3/15876 480.0 0.710 0.577 0.808 0.000 -0.018 0.000 3/15876 490.0 0.695 0.565 0.792 0.000 -0.018 0.000 3/15876 500.0 0.681 0.553 0.776 0.000 -0.017 0.000 3/15876 510.0 0.668 0.542 0.761 0.000 -0.017 0.000 3/15876 520.0 0.655 0.532 0.746 0.000 -0.017 0.000 3/15876 530.0 0.643 0.522 0.732 0.000 -0.016 0.000 3/15876 540.0 0.631 0.512 0.718 0.000 -0.016 0.000 3/15876 550.0 0.619 0.503 0.705 0.000 -0.016 0.000 3/15876 560.0 0.608 0.494 0.692 0.000 -0.015 0.000 3/15876 570.0 0.597 0.485 0.680 0.000 -0.015 0.000 3/15876 580.0 0.587 0.477 0.669 0.000 -0.015 0.000 3/15876 590.0 0.577 0.469 0.657 0.000 -0.015 0.000 3/15876 600.0 0.567 0.461 0.646 0.000 -0.014 0.000 3/15876 610.0 0.558 0.453 0.636 0.000 -0.014 0.000 3/15876 620.0 0.549 0.446 0.625 0.000 -0.014 0.000 3/15876 630.0 0.540 0.439 0.615 0.000 -0.014 0.000 3/15876 640.0 0.532 0.432 0.606 0.000 -0.013 0.000 3/15876 650.0 0.524 0.425 0.596 0.000 -0.013 0.000 3/15876 660.0 0.516 0.419 0.587 0.000 -0.013 0.000 3/15876 670.0 0.508 0.412 0.579 0.000 -0.013 0.000 3/15876 680.0 0.501 0.406 0.570 0.000 -0.013 0.000 3/15876 690.0 0.493 0.400 0.562 0.000 -0.012 0.000 3/15876 700.0 0.486 0.395 0.554 0.000 -0.012 0.000 3/15876 710.0 0.479 0.389 0.546 0.000 -0.012 0.000 3/15876 720.0 0.473 0.384 0.538 0.000 -0.012 0.000 3/15876 730.0 0.466 0.378 0.531 0.000 -0.012 0.000 3/15876 740.0 0.460 0.373 0.524 0.000 -0.012 0.000 3/15876 750.0 0.454 0.368 0.517 0.000 -0.011 0.000 3/15876 760.0 0.448 0.363 0.510 0.000 -0.011 0.000 3/15876 770.0 0.442 0.359 0.503 0.000 -0.011 0.000 3/15876 780.0 0.436 0.354 0.497 0.000 -0.011 0.000 3/15876 790.0 0.431 0.350 0.491 0.000 -0.011 0.000 3/15876 800.0 0.425 0.345 0.484 0.000 -0.011 0.000 3/15876 810.0 0.420 0.341 0.478 0.000 -0.011 0.000 3/15876 820.0 0.415 0.337 0.473 0.000 -0.010 0.000 3/15876 830.0 0.410 0.333 0.467 0.000 -0.010 0.000 3/15876 840.0 0.405 0.329 0.461 0.000 -0.010 0.000 3/15876 850.0 0.400 0.325 0.456 0.000 -0.010 0.000 3/15876 860.0 0.396 0.321 0.451 0.000 -0.010 0.000 3/15876 870.0 0.391 0.317 0.445 0.000 -0.010 0.000 3/15876 880.0 0.387 0.314 0.440 0.000 -0.010 0.000 3/15876 890.0 0.382 0.310 0.435 0.000 -0.010 0.000 3/15876 900.0 0.378 0.307 0.431 0.000 -0.010 0.000 3/15876 910.0 0.374 0.303 0.426 0.000 -0.009 0.000 3/15876 920.0 0.370 0.300 0.421 0.000 -0.009 0.000 3/15876 930.0 0.366 0.297 0.417 0.000 -0.009 0.000 3/15876 940.0 0.362 0.294 0.412 0.000 -0.009 0.000 3/15876 950.0 0.358 0.291 0.408 0.000 -0.009 0.000 3/15876 960.0 0.354 0.288 0.404 0.000 -0.009 0.000 3/15876 970.0 0.351 0.285 0.399 0.000 -0.009 0.000 3/15876 980.0 0.347 0.282 0.395 0.000 -0.009 0.000 3/15876 990.0 0.344 0.279 0.391 0.000 -0.009 0.000 3/15876 1000.0 0.340 0.276 0.387 0.000 -0.009 0.000 3/15876 Thermal conductivity related properties were written into "kappa-m737.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:36:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|