----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:06:04]------------------------- 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 5.999149360024058 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -1.968442970527307 0.000000000000000 6.680446724791487 Atomic positions (fractional): *1 Sr 0.95202609251248 0.88663485915409 0.86358195885650 87.620 *2 Sr 0.56418306238910 0.23726589266724 0.75980166278717 87.620 3 Sr 0.04797390748752 0.11336514084591 0.13641804114350 87.620 4 Sr 0.43581693761090 0.76273410733276 0.24019833721283 87.620 5 Sr 0.95202609251248 0.61336514084591 0.36358195885650 87.620 6 Sr 0.56418306238910 0.26273410733276 0.25980166278717 87.620 7 Sr 0.43581693761090 0.73726589266724 0.74019833721283 87.620 8 Sr 0.04797390748752 0.38663485915409 0.63641804114350 87.620 *9 Tl 0.95200036065339 0.60688377113628 0.86161192840646 204.383 *10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 11 Tl 0.04799963934661 0.39311622886372 0.13838807159354 204.383 *12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 13 Tl 0.95200036065339 0.89311622886372 0.36161192840646 204.383 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 15 Tl 0.04799963934661 0.10688377113628 0.63838807159354 204.383 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 *17 O 0.33657928204922 0.36116418394646 0.96415772108230 15.999 *18 O 0.13712144823339 0.73431837824368 0.92083831785604 15.999 *19 O 0.76688038355766 0.05460917348869 0.81476224826361 15.999 *20 O 0.35102936148086 0.13994605944590 0.96124196129865 15.999 *21 O 0.79020147303897 0.46527361318453 0.82288952749412 15.999 22 O 0.66342071795078 0.63883581605354 0.03584227891771 15.999 23 O 0.23311961644234 0.94539082651131 0.18523775173639 15.999 24 O 0.64897063851914 0.86005394055410 0.03875803870135 15.999 25 O 0.20979852696103 0.53472638681547 0.17711047250588 15.999 26 O 0.86287855176661 0.26568162175632 0.07916168214396 15.999 27 O 0.35102936148086 0.36005394055410 0.46124196129865 15.999 28 O 0.33657928204922 0.13883581605354 0.46415772108230 15.999 29 O 0.13712144823339 0.76568162175632 0.42083831785604 15.999 30 O 0.76688038355766 0.44539082651131 0.31476224826361 15.999 31 O 0.79020147303897 0.03472638681547 0.32288952749412 15.999 32 O 0.20979852696103 0.96527361318453 0.67711047250588 15.999 33 O 0.23311961644234 0.55460917348869 0.68523775173639 15.999 34 O 0.86287855176661 0.23431837824368 0.57916168214396 15.999 35 O 0.66342071795078 0.86116418394646 0.53584227891770 15.999 36 O 0.64897063851914 0.63994605944590 0.53875803870135 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.999149360024058 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -1.968442970527307 0.000000000000000 6.680446724791487 Atomic positions (fractional): *1 Sr 0.95202609251248 0.88663485915409 0.86358195885650 87.620 > 1 *2 Sr 0.56418306238910 0.23726589266724 0.75980166278717 87.620 > 2 3 Sr 0.04797390748752 0.11336514084591 0.13641804114350 87.620 > 3 4 Sr 0.43581693761090 0.76273410733276 0.24019833721283 87.620 > 4 5 Sr 0.95202609251248 0.61336514084591 0.36358195885650 87.620 > 5 6 Sr 0.56418306238910 0.26273410733276 0.25980166278717 87.620 > 6 7 Sr 0.43581693761090 0.73726589266724 0.74019833721283 87.620 > 7 8 Sr 0.04797390748752 0.38663485915409 0.63641804114350 87.620 > 8 *9 Tl 0.95200036065339 0.60688377113628 0.86161192840646 204.383 > 9 *10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 > 10 11 Tl 0.04799963934661 0.39311622886372 0.13838807159354 204.383 > 11 *12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 > 12 13 Tl 0.95200036065339 0.89311622886372 0.36161192840646 204.383 > 13 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 > 14 15 Tl 0.04799963934661 0.10688377113628 0.63838807159354 204.383 > 15 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 > 16 *17 O 0.33657928204922 0.36116418394646 0.96415772108230 15.999 > 17 *18 O 0.13712144823339 0.73431837824368 0.92083831785604 15.999 > 18 *19 O 0.76688038355766 0.05460917348869 0.81476224826361 15.999 > 19 *20 O 0.35102936148086 0.13994605944590 0.96124196129865 15.999 > 20 *21 O 0.79020147303897 0.46527361318453 0.82288952749412 15.999 > 21 22 O 0.66342071795078 0.63883581605354 0.03584227891771 15.999 > 22 23 O 0.23311961644234 0.94539082651131 0.18523775173639 15.999 > 23 24 O 0.64897063851914 0.86005394055410 0.03875803870135 15.999 > 24 25 O 0.20979852696103 0.53472638681547 0.17711047250588 15.999 > 25 26 O 0.86287855176661 0.26568162175632 0.07916168214396 15.999 > 26 27 O 0.35102936148086 0.36005394055410 0.46124196129865 15.999 > 27 28 O 0.33657928204922 0.13883581605354 0.46415772108230 15.999 > 28 29 O 0.13712144823339 0.76568162175632 0.42083831785604 15.999 > 29 30 O 0.76688038355766 0.44539082651131 0.31476224826361 15.999 > 30 31 O 0.79020147303897 0.03472638681547 0.32288952749412 15.999 > 31 32 O 0.20979852696103 0.96527361318453 0.67711047250588 15.999 > 32 33 O 0.23311961644234 0.55460917348869 0.68523775173639 15.999 > 33 34 O 0.86287855176661 0.23431837824368 0.57916168214396 15.999 > 34 35 O 0.66342071795078 0.86116418394646 0.53584227891770 15.999 > 35 36 O 0.64897063851914 0.63994605944590 0.53875803870135 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.998298720048115 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -3.936885941054614 0.000000000000000 13.360893449582974 Atomic positions (fractional): *1 Sr 0.47601304625624 0.88663485915409 0.43179097942825 87.620 > 1 2 Sr 0.97601304625624 0.88663485915409 0.43179097942825 87.620 > 1 3 Sr 0.47601304625624 0.88663485915409 0.93179097942825 87.620 > 1 4 Sr 0.97601304625624 0.88663485915409 0.93179097942825 87.620 > 1 *5 Sr 0.28209153119455 0.23726589266724 0.37990083139358 87.620 > 2 6 Sr 0.78209153119455 0.23726589266724 0.37990083139358 87.620 > 2 7 Sr 0.28209153119455 0.23726589266724 0.87990083139358 87.620 > 2 8 Sr 0.78209153119455 0.23726589266724 0.87990083139358 87.620 > 2 9 Sr 0.02398695374376 0.11336514084591 0.06820902057175 87.620 > 3 10 Sr 0.52398695374376 0.11336514084591 0.06820902057175 87.620 > 3 11 Sr 0.02398695374376 0.11336514084591 0.56820902057175 87.620 > 3 12 Sr 0.52398695374376 0.11336514084591 0.56820902057175 87.620 > 3 13 Sr 0.21790846880545 0.76273410733276 0.12009916860642 87.620 > 4 14 Sr 0.71790846880545 0.76273410733276 0.12009916860642 87.620 > 4 15 Sr 0.21790846880545 0.76273410733276 0.62009916860642 87.620 > 4 16 Sr 0.71790846880545 0.76273410733276 0.62009916860642 87.620 > 4 17 Sr 0.47601304625624 0.61336514084591 0.18179097942825 87.620 > 5 18 Sr 0.97601304625624 0.61336514084591 0.18179097942825 87.620 > 5 19 Sr 0.47601304625624 0.61336514084591 0.68179097942825 87.620 > 5 20 Sr 0.97601304625624 0.61336514084591 0.68179097942825 87.620 > 5 21 Sr 0.28209153119455 0.26273410733276 0.12990083139358 87.620 > 6 22 Sr 0.78209153119455 0.26273410733276 0.12990083139358 87.620 > 6 23 Sr 0.28209153119455 0.26273410733276 0.62990083139358 87.620 > 6 24 Sr 0.78209153119455 0.26273410733276 0.62990083139358 87.620 > 6 25 Sr 0.21790846880545 0.73726589266724 0.37009916860642 87.620 > 7 26 Sr 0.71790846880545 0.73726589266724 0.37009916860642 87.620 > 7 27 Sr 0.21790846880545 0.73726589266724 0.87009916860642 87.620 > 7 28 Sr 0.71790846880545 0.73726589266724 0.87009916860642 87.620 > 7 29 Sr 0.02398695374376 0.38663485915409 0.31820902057175 87.620 > 8 30 Sr 0.52398695374376 0.38663485915409 0.31820902057175 87.620 > 8 31 Sr 0.02398695374376 0.38663485915409 0.81820902057175 87.620 > 8 32 Sr 0.52398695374376 0.38663485915409 0.81820902057175 87.620 > 8 *33 Tl 0.47600018032669 0.60688377113628 0.43080596420323 204.383 > 9 34 Tl 0.97600018032669 0.60688377113628 0.43080596420323 204.383 > 9 35 Tl 0.47600018032669 0.60688377113628 0.93080596420323 204.383 > 9 36 Tl 0.97600018032669 0.60688377113628 0.93080596420323 204.383 > 9 *37 Tl 0.25000000000000 0.00000000000000 0.00000000000000 204.383 > 10 38 Tl 0.75000000000000 0.00000000000000 0.00000000000000 204.383 > 10 39 Tl 0.25000000000000 0.00000000000000 0.50000000000000 204.383 > 10 40 Tl 0.75000000000000 0.00000000000000 0.50000000000000 204.383 > 10 41 Tl 0.02399981967331 0.39311622886372 0.06919403579677 204.383 > 11 42 Tl 0.52399981967331 0.39311622886372 0.06919403579677 204.383 > 11 43 Tl 0.02399981967331 0.39311622886372 0.56919403579677 204.383 > 11 44 Tl 0.52399981967331 0.39311622886372 0.56919403579677 204.383 > 11 *45 Tl 0.25000000000000 0.50000000000000 0.00000000000000 204.383 > 12 46 Tl 0.75000000000000 0.50000000000000 0.00000000000000 204.383 > 12 47 Tl 0.25000000000000 0.50000000000000 0.50000000000000 204.383 > 12 48 Tl 0.75000000000000 0.50000000000000 0.50000000000000 204.383 > 12 49 Tl 0.47600018032669 0.89311622886372 0.18080596420323 204.383 > 13 50 Tl 0.97600018032669 0.89311622886372 0.18080596420323 204.383 > 13 51 Tl 0.47600018032669 0.89311622886372 0.68080596420323 204.383 > 13 52 Tl 0.97600018032669 0.89311622886372 0.68080596420323 204.383 > 13 53 Tl 0.25000000000000 0.50000000000000 0.25000000000000 204.383 > 14 54 Tl 0.75000000000000 0.50000000000000 0.25000000000000 204.383 > 14 55 Tl 0.25000000000000 0.50000000000000 0.75000000000000 204.383 > 14 56 Tl 0.75000000000000 0.50000000000000 0.75000000000000 204.383 > 14 57 Tl 0.02399981967331 0.10688377113628 0.31919403579677 204.383 > 15 58 Tl 0.52399981967331 0.10688377113628 0.31919403579677 204.383 > 15 59 Tl 0.02399981967331 0.10688377113628 0.81919403579677 204.383 > 15 60 Tl 0.52399981967331 0.10688377113628 0.81919403579677 204.383 > 15 61 Tl 0.25000000000000 0.00000000000000 0.25000000000000 204.383 > 16 62 Tl 0.75000000000000 0.00000000000000 0.25000000000000 204.383 > 16 63 Tl 0.25000000000000 0.00000000000000 0.75000000000000 204.383 > 16 64 Tl 0.75000000000000 0.00000000000000 0.75000000000000 204.383 > 16 *65 O 0.16828964102461 0.36116418394646 0.48207886054115 15.999 > 17 66 O 0.66828964102461 0.36116418394646 0.48207886054115 15.999 > 17 67 O 0.16828964102461 0.36116418394646 0.98207886054115 15.999 > 17 68 O 0.66828964102461 0.36116418394646 0.98207886054115 15.999 > 17 *69 O 0.06856072411669 0.73431837824368 0.46041915892802 15.999 > 18 70 O 0.56856072411669 0.73431837824368 0.46041915892802 15.999 > 18 71 O 0.06856072411669 0.73431837824368 0.96041915892802 15.999 > 18 72 O 0.56856072411669 0.73431837824368 0.96041915892802 15.999 > 18 *73 O 0.38344019177883 0.05460917348869 0.40738112413180 15.999 > 19 74 O 0.88344019177883 0.05460917348869 0.40738112413180 15.999 > 19 75 O 0.38344019177883 0.05460917348869 0.90738112413180 15.999 > 19 76 O 0.88344019177883 0.05460917348869 0.90738112413180 15.999 > 19 *77 O 0.17551468074043 0.13994605944590 0.48062098064932 15.999 > 20 78 O 0.67551468074043 0.13994605944590 0.48062098064932 15.999 > 20 79 O 0.17551468074043 0.13994605944590 0.98062098064932 15.999 > 20 80 O 0.67551468074043 0.13994605944590 0.98062098064932 15.999 > 20 *81 O 0.39510073651948 0.46527361318453 0.41144476374706 15.999 > 21 82 O 0.89510073651948 0.46527361318453 0.41144476374706 15.999 > 21 83 O 0.39510073651948 0.46527361318453 0.91144476374706 15.999 > 21 84 O 0.89510073651948 0.46527361318453 0.91144476374706 15.999 > 21 85 O 0.33171035897539 0.63883581605354 0.01792113945885 15.999 > 22 86 O 0.83171035897539 0.63883581605354 0.01792113945885 15.999 > 22 87 O 0.33171035897539 0.63883581605354 0.51792113945885 15.999 > 22 88 O 0.83171035897539 0.63883581605354 0.51792113945885 15.999 > 22 89 O 0.11655980822117 0.94539082651131 0.09261887586820 15.999 > 23 90 O 0.61655980822117 0.94539082651131 0.09261887586820 15.999 > 23 91 O 0.11655980822117 0.94539082651131 0.59261887586820 15.999 > 23 92 O 0.61655980822117 0.94539082651131 0.59261887586820 15.999 > 23 93 O 0.32448531925957 0.86005394055410 0.01937901935068 15.999 > 24 94 O 0.82448531925957 0.86005394055410 0.01937901935068 15.999 > 24 95 O 0.32448531925957 0.86005394055410 0.51937901935068 15.999 > 24 96 O 0.82448531925957 0.86005394055410 0.51937901935068 15.999 > 24 97 O 0.10489926348052 0.53472638681547 0.08855523625294 15.999 > 25 98 O 0.60489926348052 0.53472638681547 0.08855523625294 15.999 > 25 99 O 0.10489926348052 0.53472638681547 0.58855523625294 15.999 > 25 100 O 0.60489926348052 0.53472638681547 0.58855523625294 15.999 > 25 101 O 0.43143927588331 0.26568162175632 0.03958084107198 15.999 > 26 102 O 0.93143927588331 0.26568162175632 0.03958084107198 15.999 > 26 103 O 0.43143927588331 0.26568162175632 0.53958084107198 15.999 > 26 104 O 0.93143927588331 0.26568162175632 0.53958084107198 15.999 > 26 105 O 0.17551468074043 0.36005394055410 0.23062098064932 15.999 > 27 106 O 0.67551468074043 0.36005394055410 0.23062098064932 15.999 > 27 107 O 0.17551468074043 0.36005394055410 0.73062098064932 15.999 > 27 108 O 0.67551468074043 0.36005394055410 0.73062098064932 15.999 > 27 109 O 0.16828964102461 0.13883581605354 0.23207886054115 15.999 > 28 110 O 0.66828964102461 0.13883581605354 0.23207886054115 15.999 > 28 111 O 0.16828964102461 0.13883581605354 0.73207886054115 15.999 > 28 112 O 0.66828964102461 0.13883581605354 0.73207886054115 15.999 > 28 113 O 0.06856072411669 0.76568162175632 0.21041915892802 15.999 > 29 114 O 0.56856072411669 0.76568162175632 0.21041915892802 15.999 > 29 115 O 0.06856072411669 0.76568162175632 0.71041915892802 15.999 > 29 116 O 0.56856072411669 0.76568162175632 0.71041915892802 15.999 > 29 117 O 0.38344019177883 0.44539082651131 0.15738112413180 15.999 > 30 118 O 0.88344019177883 0.44539082651131 0.15738112413180 15.999 > 30 119 O 0.38344019177883 0.44539082651131 0.65738112413180 15.999 > 30 120 O 0.88344019177883 0.44539082651131 0.65738112413180 15.999 > 30 121 O 0.39510073651948 0.03472638681547 0.16144476374706 15.999 > 31 122 O 0.89510073651948 0.03472638681547 0.16144476374706 15.999 > 31 123 O 0.39510073651948 0.03472638681547 0.66144476374706 15.999 > 31 124 O 0.89510073651948 0.03472638681547 0.66144476374706 15.999 > 31 125 O 0.10489926348052 0.96527361318453 0.33855523625294 15.999 > 32 126 O 0.60489926348052 0.96527361318453 0.33855523625294 15.999 > 32 127 O 0.10489926348052 0.96527361318453 0.83855523625294 15.999 > 32 128 O 0.60489926348052 0.96527361318453 0.83855523625294 15.999 > 32 129 O 0.11655980822117 0.55460917348869 0.34261887586820 15.999 > 33 130 O 0.61655980822117 0.55460917348869 0.34261887586820 15.999 > 33 131 O 0.11655980822117 0.55460917348869 0.84261887586820 15.999 > 33 132 O 0.61655980822117 0.55460917348869 0.84261887586820 15.999 > 33 133 O 0.43143927588331 0.23431837824368 0.28958084107198 15.999 > 34 134 O 0.93143927588331 0.23431837824368 0.28958084107198 15.999 > 34 135 O 0.43143927588331 0.23431837824368 0.78958084107198 15.999 > 34 136 O 0.93143927588331 0.23431837824368 0.78958084107198 15.999 > 34 137 O 0.33171035897539 0.86116418394646 0.26792113945885 15.999 > 35 138 O 0.83171035897539 0.86116418394646 0.26792113945885 15.999 > 35 139 O 0.33171035897539 0.86116418394646 0.76792113945885 15.999 > 35 140 O 0.83171035897539 0.86116418394646 0.76792113945885 15.999 > 35 141 O 0.32448531925957 0.63994605944590 0.26937901935068 15.999 > 36 142 O 0.82448531925957 0.63994605944590 0.26937901935068 15.999 > 36 143 O 0.32448531925957 0.63994605944590 0.76937901935068 15.999 > 36 144 O 0.82448531925957 0.63994605944590 0.76937901935068 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8983437 0.0000000 -0.0659006 0.0000000 5.6570152 0.0000000 -0.0659022 0.0000000 5.5596640 -------------------------- Born effective charges -------------------------- 1 Sr 2.3559426 0.0608997 0.0339357 -0.3323735 2.5618095 -0.2065812 0.0466602 -0.0532877 2.6774681 2 Sr 2.4320606 0.0721734 -0.0402689 0.0486857 2.8844322 0.5663512 -0.0154730 0.1657444 2.5619812 3 Sr 2.3559426 0.0608997 0.0339357 -0.3323735 2.5618095 -0.2065812 0.0466602 -0.0532877 2.6774681 4 Sr 2.4320606 0.0721734 -0.0402689 0.0486857 2.8844322 0.5663512 -0.0154730 0.1657444 2.5619812 5 Sr 2.3559426 -0.0608997 0.0339357 0.3323735 2.5618095 0.2065812 0.0466602 0.0532877 2.6774681 6 Sr 2.4320606 -0.0721734 -0.0402689 -0.0486857 2.8844322 -0.5663512 -0.0154730 -0.1657444 2.5619812 7 Sr 2.4320606 -0.0721734 -0.0402689 -0.0486857 2.8844322 -0.5663512 -0.0154730 -0.1657444 2.5619812 8 Sr 2.3559426 -0.0608997 0.0339357 0.3323735 2.5618095 0.2065812 0.0466602 0.0532877 2.6774681 9 Tl 3.7266663 -0.0011150 -0.0984112 0.2583791 2.7225802 0.0567340 -0.0267109 -0.1107963 3.0319911 10 Tl 3.5768442 0.0680610 -0.1492550 -0.0275101 2.3943107 -0.3911743 -0.2225354 -0.6438711 3.8099365 11 Tl 3.7266663 -0.0011150 -0.0984112 0.2583791 2.7225802 0.0567340 -0.0267109 -0.1107963 3.0319911 12 Tl 3.5313856 0.3485702 0.0962914 0.3391990 2.4008288 -0.2657479 -0.0006699 -0.4496275 3.1832922 13 Tl 3.7266663 0.0011150 -0.0984112 -0.2583791 2.7225802 -0.0567340 -0.0267109 0.1107963 3.0319911 14 Tl 3.5768442 -0.0680610 -0.1492550 0.0275101 2.3943107 0.3911743 -0.2225354 0.6438711 3.8099365 15 Tl 3.7266663 0.0011150 -0.0984112 -0.2583791 2.7225802 -0.0567340 -0.0267109 0.1107963 3.0319911 16 Tl 3.5313856 -0.3485702 0.0962914 -0.3391990 2.4008288 0.2657479 -0.0006699 0.4496275 3.1832922 17 O -2.2664569 0.0503718 0.1043811 -0.0688255 -2.0721906 0.0047314 0.0702805 0.0796557 -2.1712464 18 O -2.0408701 -0.0504858 -0.0004993 -0.4719805 -2.8889576 -0.2608232 -0.0877268 -0.2416738 -1.8251799 19 O -2.8514609 -0.3672664 0.2463491 -0.2997339 -1.8586406 -0.0389123 0.2680031 -0.0172379 -2.6728795 20 O -2.2867894 -0.1229188 -0.1068485 -0.0927998 -2.1103497 -0.0690735 -0.0421198 -0.0243820 -2.3730829 21 O -2.6232070 -0.0341878 -0.1121561 0.1560306 -1.6362533 0.1099338 -0.1013106 0.2023552 -2.7256662 22 O -2.2664569 0.0503718 0.1043811 -0.0688255 -2.0721906 0.0047314 0.0702805 0.0796557 -2.1712464 23 O -2.8514609 -0.3672664 0.2463491 -0.2997339 -1.8586406 -0.0389123 0.2680031 -0.0172379 -2.6728795 24 O -2.2867894 -0.1229188 -0.1068485 -0.0927998 -2.1103497 -0.0690735 -0.0421198 -0.0243820 -2.3730829 25 O -2.6232070 -0.0341878 -0.1121561 0.1560306 -1.6362533 0.1099338 -0.1013106 0.2023552 -2.7256662 26 O -2.0408701 -0.0504858 -0.0004993 -0.4719805 -2.8889576 -0.2608232 -0.0877268 -0.2416738 -1.8251799 27 O -2.2867894 0.1229188 -0.1068485 0.0927998 -2.1103497 0.0690735 -0.0421198 0.0243820 -2.3730829 28 O -2.2664569 -0.0503718 0.1043811 0.0688255 -2.0721906 -0.0047314 0.0702805 -0.0796557 -2.1712464 29 O -2.0408701 0.0504858 -0.0004993 0.4719805 -2.8889576 0.2608232 -0.0877268 0.2416738 -1.8251799 30 O -2.8514609 0.3672664 0.2463491 0.2997339 -1.8586406 0.0389123 0.2680031 0.0172379 -2.6728795 31 O -2.6232070 0.0341878 -0.1121561 -0.1560306 -1.6362533 -0.1099338 -0.1013106 -0.2023552 -2.7256662 32 O -2.6232070 0.0341878 -0.1121561 -0.1560306 -1.6362533 -0.1099338 -0.1013106 -0.2023552 -2.7256662 33 O -2.8514609 0.3672664 0.2463491 0.2997339 -1.8586406 0.0389123 0.2680031 0.0172379 -2.6728795 34 O -2.0408701 0.0504858 -0.0004993 0.4719805 -2.8889576 0.2608232 -0.0877268 0.2416738 -1.8251799 35 O -2.2664569 -0.0503718 0.1043811 0.0688255 -2.0721906 -0.0047314 0.0702805 -0.0796557 -2.1712464 36 O -2.2867894 0.1229188 -0.1068485 0.0927998 -2.1103497 0.0690735 -0.0421198 0.0243820 -2.3730829 ---------------------------------------------------------------------------- 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: 6030 Number of blocks in projector: 6030 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1304 / 1304 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6030, 5941), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1304, 1285), data: False |-- (1304, 29), data: (1304, 48) @ (48, 29) |-- (304, 292), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.950 Solver_block: 200 / 1120 - Time: 1.746 Solver_block: 300 / 1120 - Time: 1.751 Solver_block: 400 / 1120 - Time: 1.754 Solver_block: 500 / 1120 - Time: 1.758 Solver_block: 600 / 1120 - Time: 1.754 Solver_block: 700 / 1120 - Time: 1.757 Solver_block: 800 / 1120 - Time: 1.755 Solver_block: 900 / 1120 - Time: 1.754 Solver_block: 1000 / 1120 - Time: 1.753 Solver_block: 1100 / 1120 - Time: 1.747 Solver_block: 1120 / 1120 - Time: 0.558 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.561 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 6030 Number of blocks in projector: 6030 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: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1304 / 1304 (1) 285 eigenvectors found. (1) Complementary block size: 55 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1304 Use submatrix version of eigh solver. (1) Block: 500 / 1304 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1304 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1304 / 1304 (1) 292 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 706 Use submatrix version of eigh solver. (1) Block: 500 / 706 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 706 / 706 (1) 196 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (6030, 5941), data: False |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (706, 696), data: False |-- (706, 10), data: (706, 20) @ (20, 10) |-- (206, 196), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True |-- (1304, 1285), data: False |-- (1304, 29), data: (1304, 48) @ (48, 29) |-- (304, 292), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (1304, 1284), data: False |-- (1304, 35), data: (1304, 55) @ (55, 35) |-- (304, 285), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) 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 2026-01-09 00:07:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:07:26]------------------------- 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 5.999149360024058 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -1.968442970527307 0.000000000000000 6.680446724791487 Atomic positions (fractional): 1 Sr 0.95202609251248 0.88663485915409 0.86358195885650 87.620 2 Sr 0.56418306238910 0.23726589266724 0.75980166278717 87.620 3 Sr 0.04797390748752 0.11336514084591 0.13641804114350 87.620 4 Sr 0.43581693761090 0.76273410733276 0.24019833721283 87.620 5 Sr 0.95202609251248 0.61336514084591 0.36358195885650 87.620 6 Sr 0.56418306238910 0.26273410733276 0.25980166278717 87.620 7 Sr 0.43581693761090 0.73726589266724 0.74019833721283 87.620 8 Sr 0.04797390748752 0.38663485915409 0.63641804114350 87.620 9 Tl 0.95200036065339 0.60688377113628 0.86161192840646 204.383 10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 11 Tl 0.04799963934661 0.39311622886372 0.13838807159354 204.383 12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 13 Tl 0.95200036065339 0.89311622886372 0.36161192840646 204.383 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 15 Tl 0.04799963934661 0.10688377113628 0.63838807159354 204.383 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 17 O 0.33657928204922 0.36116418394646 0.96415772108230 15.999 18 O 0.13712144823339 0.73431837824368 0.92083831785604 15.999 19 O 0.76688038355766 0.05460917348869 0.81476224826361 15.999 20 O 0.35102936148086 0.13994605944590 0.96124196129865 15.999 21 O 0.79020147303897 0.46527361318453 0.82288952749412 15.999 22 O 0.66342071795078 0.63883581605354 0.03584227891771 15.999 23 O 0.23311961644234 0.94539082651131 0.18523775173639 15.999 24 O 0.64897063851914 0.86005394055410 0.03875803870135 15.999 25 O 0.20979852696103 0.53472638681547 0.17711047250588 15.999 26 O 0.86287855176661 0.26568162175632 0.07916168214396 15.999 27 O 0.35102936148086 0.36005394055410 0.46124196129865 15.999 28 O 0.33657928204922 0.13883581605354 0.46415772108230 15.999 29 O 0.13712144823339 0.76568162175632 0.42083831785604 15.999 30 O 0.76688038355766 0.44539082651131 0.31476224826361 15.999 31 O 0.79020147303897 0.03472638681547 0.32288952749412 15.999 32 O 0.20979852696103 0.96527361318453 0.67711047250588 15.999 33 O 0.23311961644234 0.55460917348869 0.68523775173639 15.999 34 O 0.86287855176661 0.23431837824368 0.57916168214396 15.999 35 O 0.66342071795078 0.86116418394646 0.53584227891770 15.999 36 O 0.64897063851914 0.63994605944590 0.53875803870135 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.998298720048115 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -3.936885941054614 0.000000000000000 13.360893449582974 Atomic positions (fractional): 1 Sr 0.47601304625624 0.88663485915409 0.43179097942825 87.620 > 1 2 Sr 0.97601304625624 0.88663485915409 0.43179097942825 87.620 > 1 3 Sr 0.47601304625624 0.88663485915409 0.93179097942825 87.620 > 1 4 Sr 0.97601304625624 0.88663485915409 0.93179097942825 87.620 > 1 5 Sr 0.28209153119455 0.23726589266724 0.37990083139358 87.620 > 5 6 Sr 0.78209153119455 0.23726589266724 0.37990083139358 87.620 > 5 7 Sr 0.28209153119455 0.23726589266724 0.87990083139358 87.620 > 5 8 Sr 0.78209153119455 0.23726589266724 0.87990083139358 87.620 > 5 9 Sr 0.02398695374376 0.11336514084591 0.06820902057175 87.620 > 9 10 Sr 0.52398695374376 0.11336514084591 0.06820902057175 87.620 > 9 11 Sr 0.02398695374376 0.11336514084591 0.56820902057175 87.620 > 9 12 Sr 0.52398695374376 0.11336514084591 0.56820902057175 87.620 > 9 13 Sr 0.21790846880545 0.76273410733276 0.12009916860642 87.620 > 13 14 Sr 0.71790846880545 0.76273410733276 0.12009916860642 87.620 > 13 15 Sr 0.21790846880545 0.76273410733276 0.62009916860642 87.620 > 13 16 Sr 0.71790846880545 0.76273410733276 0.62009916860642 87.620 > 13 17 Sr 0.47601304625624 0.61336514084591 0.18179097942825 87.620 > 17 18 Sr 0.97601304625624 0.61336514084591 0.18179097942825 87.620 > 17 19 Sr 0.47601304625624 0.61336514084591 0.68179097942825 87.620 > 17 20 Sr 0.97601304625624 0.61336514084591 0.68179097942825 87.620 > 17 21 Sr 0.28209153119455 0.26273410733276 0.12990083139358 87.620 > 21 22 Sr 0.78209153119455 0.26273410733276 0.12990083139358 87.620 > 21 23 Sr 0.28209153119455 0.26273410733276 0.62990083139358 87.620 > 21 24 Sr 0.78209153119455 0.26273410733276 0.62990083139358 87.620 > 21 25 Sr 0.21790846880545 0.73726589266724 0.37009916860642 87.620 > 25 26 Sr 0.71790846880545 0.73726589266724 0.37009916860642 87.620 > 25 27 Sr 0.21790846880545 0.73726589266724 0.87009916860642 87.620 > 25 28 Sr 0.71790846880545 0.73726589266724 0.87009916860642 87.620 > 25 29 Sr 0.02398695374376 0.38663485915409 0.31820902057175 87.620 > 29 30 Sr 0.52398695374376 0.38663485915409 0.31820902057175 87.620 > 29 31 Sr 0.02398695374376 0.38663485915409 0.81820902057175 87.620 > 29 32 Sr 0.52398695374376 0.38663485915409 0.81820902057175 87.620 > 29 33 Tl 0.47600018032669 0.60688377113628 0.43080596420323 204.383 > 33 34 Tl 0.97600018032669 0.60688377113628 0.43080596420323 204.383 > 33 35 Tl 0.47600018032669 0.60688377113628 0.93080596420323 204.383 > 33 36 Tl 0.97600018032669 0.60688377113628 0.93080596420323 204.383 > 33 37 Tl 0.25000000000000 0.00000000000000 0.00000000000000 204.383 > 37 38 Tl 0.75000000000000 0.00000000000000 0.00000000000000 204.383 > 37 39 Tl 0.25000000000000 0.00000000000000 0.50000000000000 204.383 > 37 40 Tl 0.75000000000000 0.00000000000000 0.50000000000000 204.383 > 37 41 Tl 0.02399981967331 0.39311622886372 0.06919403579677 204.383 > 41 42 Tl 0.52399981967331 0.39311622886372 0.06919403579677 204.383 > 41 43 Tl 0.02399981967331 0.39311622886372 0.56919403579677 204.383 > 41 44 Tl 0.52399981967331 0.39311622886372 0.56919403579677 204.383 > 41 45 Tl 0.25000000000000 0.50000000000000 0.00000000000000 204.383 > 45 46 Tl 0.75000000000000 0.50000000000000 0.00000000000000 204.383 > 45 47 Tl 0.25000000000000 0.50000000000000 0.50000000000000 204.383 > 45 48 Tl 0.75000000000000 0.50000000000000 0.50000000000000 204.383 > 45 49 Tl 0.47600018032669 0.89311622886372 0.18080596420323 204.383 > 49 50 Tl 0.97600018032669 0.89311622886372 0.18080596420323 204.383 > 49 51 Tl 0.47600018032669 0.89311622886372 0.68080596420323 204.383 > 49 52 Tl 0.97600018032669 0.89311622886372 0.68080596420323 204.383 > 49 53 Tl 0.25000000000000 0.50000000000000 0.25000000000000 204.383 > 53 54 Tl 0.75000000000000 0.50000000000000 0.25000000000000 204.383 > 53 55 Tl 0.25000000000000 0.50000000000000 0.75000000000000 204.383 > 53 56 Tl 0.75000000000000 0.50000000000000 0.75000000000000 204.383 > 53 57 Tl 0.02399981967331 0.10688377113628 0.31919403579677 204.383 > 57 58 Tl 0.52399981967331 0.10688377113628 0.31919403579677 204.383 > 57 59 Tl 0.02399981967331 0.10688377113628 0.81919403579677 204.383 > 57 60 Tl 0.52399981967331 0.10688377113628 0.81919403579677 204.383 > 57 61 Tl 0.25000000000000 0.00000000000000 0.25000000000000 204.383 > 61 62 Tl 0.75000000000000 0.00000000000000 0.25000000000000 204.383 > 61 63 Tl 0.25000000000000 0.00000000000000 0.75000000000000 204.383 > 61 64 Tl 0.75000000000000 0.00000000000000 0.75000000000000 204.383 > 61 65 O 0.16828964102461 0.36116418394646 0.48207886054115 15.999 > 65 66 O 0.66828964102461 0.36116418394646 0.48207886054115 15.999 > 65 67 O 0.16828964102461 0.36116418394646 0.98207886054115 15.999 > 65 68 O 0.66828964102461 0.36116418394646 0.98207886054115 15.999 > 65 69 O 0.06856072411669 0.73431837824368 0.46041915892802 15.999 > 69 70 O 0.56856072411669 0.73431837824368 0.46041915892802 15.999 > 69 71 O 0.06856072411669 0.73431837824368 0.96041915892802 15.999 > 69 72 O 0.56856072411669 0.73431837824368 0.96041915892802 15.999 > 69 73 O 0.38344019177883 0.05460917348869 0.40738112413180 15.999 > 73 74 O 0.88344019177883 0.05460917348869 0.40738112413180 15.999 > 73 75 O 0.38344019177883 0.05460917348869 0.90738112413180 15.999 > 73 76 O 0.88344019177883 0.05460917348869 0.90738112413180 15.999 > 73 77 O 0.17551468074043 0.13994605944590 0.48062098064932 15.999 > 77 78 O 0.67551468074043 0.13994605944590 0.48062098064932 15.999 > 77 79 O 0.17551468074043 0.13994605944590 0.98062098064932 15.999 > 77 80 O 0.67551468074043 0.13994605944590 0.98062098064932 15.999 > 77 81 O 0.39510073651948 0.46527361318453 0.41144476374706 15.999 > 81 82 O 0.89510073651948 0.46527361318453 0.41144476374706 15.999 > 81 83 O 0.39510073651948 0.46527361318453 0.91144476374706 15.999 > 81 84 O 0.89510073651948 0.46527361318453 0.91144476374706 15.999 > 81 85 O 0.33171035897539 0.63883581605354 0.01792113945885 15.999 > 85 86 O 0.83171035897539 0.63883581605354 0.01792113945885 15.999 > 85 87 O 0.33171035897539 0.63883581605354 0.51792113945885 15.999 > 85 88 O 0.83171035897539 0.63883581605354 0.51792113945885 15.999 > 85 89 O 0.11655980822117 0.94539082651131 0.09261887586820 15.999 > 89 90 O 0.61655980822117 0.94539082651131 0.09261887586820 15.999 > 89 91 O 0.11655980822117 0.94539082651131 0.59261887586820 15.999 > 89 92 O 0.61655980822117 0.94539082651131 0.59261887586820 15.999 > 89 93 O 0.32448531925957 0.86005394055410 0.01937901935068 15.999 > 93 94 O 0.82448531925957 0.86005394055410 0.01937901935068 15.999 > 93 95 O 0.32448531925957 0.86005394055410 0.51937901935068 15.999 > 93 96 O 0.82448531925957 0.86005394055410 0.51937901935068 15.999 > 93 97 O 0.10489926348052 0.53472638681547 0.08855523625294 15.999 > 97 98 O 0.60489926348052 0.53472638681547 0.08855523625294 15.999 > 97 99 O 0.10489926348052 0.53472638681547 0.58855523625294 15.999 > 97 100 O 0.60489926348052 0.53472638681547 0.58855523625294 15.999 > 97 101 O 0.43143927588331 0.26568162175632 0.03958084107198 15.999 > 101 102 O 0.93143927588331 0.26568162175632 0.03958084107198 15.999 > 101 103 O 0.43143927588331 0.26568162175632 0.53958084107198 15.999 > 101 104 O 0.93143927588331 0.26568162175632 0.53958084107198 15.999 > 101 105 O 0.17551468074043 0.36005394055410 0.23062098064932 15.999 > 105 106 O 0.67551468074043 0.36005394055410 0.23062098064932 15.999 > 105 107 O 0.17551468074043 0.36005394055410 0.73062098064932 15.999 > 105 108 O 0.67551468074043 0.36005394055410 0.73062098064932 15.999 > 105 109 O 0.16828964102461 0.13883581605354 0.23207886054115 15.999 > 109 110 O 0.66828964102461 0.13883581605354 0.23207886054115 15.999 > 109 111 O 0.16828964102461 0.13883581605354 0.73207886054115 15.999 > 109 112 O 0.66828964102461 0.13883581605354 0.73207886054115 15.999 > 109 113 O 0.06856072411669 0.76568162175632 0.21041915892802 15.999 > 113 114 O 0.56856072411669 0.76568162175632 0.21041915892802 15.999 > 113 115 O 0.06856072411669 0.76568162175632 0.71041915892802 15.999 > 113 116 O 0.56856072411669 0.76568162175632 0.71041915892802 15.999 > 113 117 O 0.38344019177883 0.44539082651131 0.15738112413180 15.999 > 117 118 O 0.88344019177883 0.44539082651131 0.15738112413180 15.999 > 117 119 O 0.38344019177883 0.44539082651131 0.65738112413180 15.999 > 117 120 O 0.88344019177883 0.44539082651131 0.65738112413180 15.999 > 117 121 O 0.39510073651948 0.03472638681547 0.16144476374706 15.999 > 121 122 O 0.89510073651948 0.03472638681547 0.16144476374706 15.999 > 121 123 O 0.39510073651948 0.03472638681547 0.66144476374706 15.999 > 121 124 O 0.89510073651948 0.03472638681547 0.66144476374706 15.999 > 121 125 O 0.10489926348052 0.96527361318453 0.33855523625294 15.999 > 125 126 O 0.60489926348052 0.96527361318453 0.33855523625294 15.999 > 125 127 O 0.10489926348052 0.96527361318453 0.83855523625294 15.999 > 125 128 O 0.60489926348052 0.96527361318453 0.83855523625294 15.999 > 125 129 O 0.11655980822117 0.55460917348869 0.34261887586820 15.999 > 129 130 O 0.61655980822117 0.55460917348869 0.34261887586820 15.999 > 129 131 O 0.11655980822117 0.55460917348869 0.84261887586820 15.999 > 129 132 O 0.61655980822117 0.55460917348869 0.84261887586820 15.999 > 129 133 O 0.43143927588331 0.23431837824368 0.28958084107198 15.999 > 133 134 O 0.93143927588331 0.23431837824368 0.28958084107198 15.999 > 133 135 O 0.43143927588331 0.23431837824368 0.78958084107198 15.999 > 133 136 O 0.93143927588331 0.23431837824368 0.78958084107198 15.999 > 133 137 O 0.33171035897539 0.86116418394646 0.26792113945885 15.999 > 137 138 O 0.83171035897539 0.86116418394646 0.26792113945885 15.999 > 137 139 O 0.33171035897539 0.86116418394646 0.76792113945885 15.999 > 137 140 O 0.83171035897539 0.86116418394646 0.76792113945885 15.999 > 137 141 O 0.32448531925957 0.63994605944590 0.26937901935068 15.999 > 141 142 O 0.82448531925957 0.63994605944590 0.26937901935068 15.999 > 141 143 O 0.32448531925957 0.63994605944590 0.76937901935068 15.999 > 141 144 O 0.82448531925957 0.63994605944590 0.76937901935068 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.8983437 0.0000000 -0.0659006 0.0000000 5.6570152 0.0000000 -0.0659022 0.0000000 5.5596640 -------------------------- Born effective charges -------------------------- 1 Sr 2.3559426 0.0608997 0.0339357 -0.3323735 2.5618095 -0.2065812 0.0466602 -0.0532877 2.6774681 2 Sr 2.4320606 0.0721734 -0.0402689 0.0486857 2.8844322 0.5663512 -0.0154730 0.1657444 2.5619812 3 Sr 2.3559426 0.0608997 0.0339357 -0.3323735 2.5618095 -0.2065812 0.0466602 -0.0532877 2.6774681 4 Sr 2.4320606 0.0721734 -0.0402689 0.0486857 2.8844322 0.5663512 -0.0154730 0.1657444 2.5619812 5 Sr 2.3559426 -0.0608997 0.0339357 0.3323735 2.5618095 0.2065812 0.0466602 0.0532877 2.6774681 6 Sr 2.4320606 -0.0721734 -0.0402689 -0.0486857 2.8844322 -0.5663512 -0.0154730 -0.1657444 2.5619812 7 Sr 2.4320606 -0.0721734 -0.0402689 -0.0486857 2.8844322 -0.5663512 -0.0154730 -0.1657444 2.5619812 8 Sr 2.3559426 -0.0608997 0.0339357 0.3323735 2.5618095 0.2065812 0.0466602 0.0532877 2.6774681 9 Tl 3.7266663 -0.0011150 -0.0984112 0.2583791 2.7225802 0.0567340 -0.0267109 -0.1107963 3.0319911 10 Tl 3.5768442 0.0680610 -0.1492550 -0.0275101 2.3943107 -0.3911743 -0.2225354 -0.6438711 3.8099365 11 Tl 3.7266663 -0.0011150 -0.0984112 0.2583791 2.7225802 0.0567340 -0.0267109 -0.1107963 3.0319911 12 Tl 3.5313856 0.3485702 0.0962914 0.3391990 2.4008288 -0.2657479 -0.0006699 -0.4496275 3.1832922 13 Tl 3.7266663 0.0011150 -0.0984112 -0.2583791 2.7225802 -0.0567340 -0.0267109 0.1107963 3.0319911 14 Tl 3.5768442 -0.0680610 -0.1492550 0.0275101 2.3943107 0.3911743 -0.2225354 0.6438711 3.8099365 15 Tl 3.7266663 0.0011150 -0.0984112 -0.2583791 2.7225802 -0.0567340 -0.0267109 0.1107963 3.0319911 16 Tl 3.5313856 -0.3485702 0.0962914 -0.3391990 2.4008288 0.2657479 -0.0006699 0.4496275 3.1832922 17 O -2.2664569 0.0503718 0.1043811 -0.0688255 -2.0721906 0.0047314 0.0702805 0.0796557 -2.1712464 18 O -2.0408701 -0.0504858 -0.0004993 -0.4719805 -2.8889576 -0.2608232 -0.0877268 -0.2416738 -1.8251799 19 O -2.8514609 -0.3672664 0.2463491 -0.2997339 -1.8586406 -0.0389123 0.2680031 -0.0172379 -2.6728795 20 O -2.2867894 -0.1229188 -0.1068485 -0.0927998 -2.1103497 -0.0690735 -0.0421198 -0.0243820 -2.3730829 21 O -2.6232070 -0.0341878 -0.1121561 0.1560306 -1.6362533 0.1099338 -0.1013106 0.2023552 -2.7256662 22 O -2.2664569 0.0503718 0.1043811 -0.0688255 -2.0721906 0.0047314 0.0702805 0.0796557 -2.1712464 23 O -2.8514609 -0.3672664 0.2463491 -0.2997339 -1.8586406 -0.0389123 0.2680031 -0.0172379 -2.6728795 24 O -2.2867894 -0.1229188 -0.1068485 -0.0927998 -2.1103497 -0.0690735 -0.0421198 -0.0243820 -2.3730829 25 O -2.6232070 -0.0341878 -0.1121561 0.1560306 -1.6362533 0.1099338 -0.1013106 0.2023552 -2.7256662 26 O -2.0408701 -0.0504858 -0.0004993 -0.4719805 -2.8889576 -0.2608232 -0.0877268 -0.2416738 -1.8251799 27 O -2.2867894 0.1229188 -0.1068485 0.0927998 -2.1103497 0.0690735 -0.0421198 0.0243820 -2.3730829 28 O -2.2664569 -0.0503718 0.1043811 0.0688255 -2.0721906 -0.0047314 0.0702805 -0.0796557 -2.1712464 29 O -2.0408701 0.0504858 -0.0004993 0.4719805 -2.8889576 0.2608232 -0.0877268 0.2416738 -1.8251799 30 O -2.8514609 0.3672664 0.2463491 0.2997339 -1.8586406 0.0389123 0.2680031 0.0172379 -2.6728795 31 O -2.6232070 0.0341878 -0.1121561 -0.1560306 -1.6362533 -0.1099338 -0.1013106 -0.2023552 -2.7256662 32 O -2.6232070 0.0341878 -0.1121561 -0.1560306 -1.6362533 -0.1099338 -0.1013106 -0.2023552 -2.7256662 33 O -2.8514609 0.3672664 0.2463491 0.2997339 -1.8586406 0.0389123 0.2680031 0.0172379 -2.6728795 34 O -2.0408701 0.0504858 -0.0004993 0.4719805 -2.8889576 0.2608232 -0.0877268 0.2416738 -1.8251799 35 O -2.2664569 -0.0503718 0.1043811 0.0688255 -2.0721906 -0.0047314 0.0702805 -0.0796557 -2.1712464 36 O -2.2867894 0.1229188 -0.1068485 0.0927998 -2.1103497 0.0690735 -0.0421198 0.0243820 -2.3730829 ---------------------------------------------------------------------------- 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 5, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 37, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 45, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 69, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 73, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 77, 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] 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: -0.00000001 (zx) -0.00000001 (zx) 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 2026-01-09 00:08:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:08:35]------------------------- 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 5.999149360024058 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -1.968442970527307 0.000000000000000 6.680446724791487 Atomic positions (fractional): 1 Sr 0.95202609251248 0.88663485915409 0.86358195885650 87.620 2 Sr 0.56418306238910 0.23726589266724 0.75980166278717 87.620 3 Sr 0.04797390748752 0.11336514084591 0.13641804114350 87.620 4 Sr 0.43581693761090 0.76273410733276 0.24019833721283 87.620 5 Sr 0.95202609251248 0.61336514084591 0.36358195885650 87.620 6 Sr 0.56418306238910 0.26273410733276 0.25980166278717 87.620 7 Sr 0.43581693761090 0.73726589266724 0.74019833721283 87.620 8 Sr 0.04797390748752 0.38663485915409 0.63641804114350 87.620 9 Tl 0.95200036065339 0.60688377113628 0.86161192840646 204.383 10 Tl 0.50000000000000 0.00000000000000 0.00000000000000 204.383 11 Tl 0.04799963934661 0.39311622886372 0.13838807159354 204.383 12 Tl 0.50000000000000 0.50000000000000 0.00000000000000 204.383 13 Tl 0.95200036065339 0.89311622886372 0.36161192840646 204.383 14 Tl 0.50000000000000 0.50000000000000 0.50000000000000 204.383 15 Tl 0.04799963934661 0.10688377113628 0.63838807159354 204.383 16 Tl 0.50000000000000 0.00000000000000 0.50000000000000 204.383 17 O 0.33657928204922 0.36116418394646 0.96415772108230 15.999 18 O 0.13712144823339 0.73431837824368 0.92083831785604 15.999 19 O 0.76688038355766 0.05460917348869 0.81476224826361 15.999 20 O 0.35102936148086 0.13994605944590 0.96124196129865 15.999 21 O 0.79020147303897 0.46527361318453 0.82288952749412 15.999 22 O 0.66342071795078 0.63883581605354 0.03584227891771 15.999 23 O 0.23311961644234 0.94539082651131 0.18523775173639 15.999 24 O 0.64897063851914 0.86005394055410 0.03875803870135 15.999 25 O 0.20979852696103 0.53472638681547 0.17711047250588 15.999 26 O 0.86287855176661 0.26568162175632 0.07916168214396 15.999 27 O 0.35102936148086 0.36005394055410 0.46124196129865 15.999 28 O 0.33657928204922 0.13883581605354 0.46415772108230 15.999 29 O 0.13712144823339 0.76568162175632 0.42083831785604 15.999 30 O 0.76688038355766 0.44539082651131 0.31476224826361 15.999 31 O 0.79020147303897 0.03472638681547 0.32288952749412 15.999 32 O 0.20979852696103 0.96527361318453 0.67711047250588 15.999 33 O 0.23311961644234 0.55460917348869 0.68523775173639 15.999 34 O 0.86287855176661 0.23431837824368 0.57916168214396 15.999 35 O 0.66342071795078 0.86116418394646 0.53584227891770 15.999 36 O 0.64897063851914 0.63994605944590 0.53875803870135 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.998298720048115 0.000000000000000 0.000000000000000 b 0.000000000000000 13.944642309999999 0.000000000000000 c -3.936885941054614 0.000000000000000 13.360893449582974 Atomic positions (fractional): 1 Sr 0.47601304625624 0.88663485915409 0.43179097942825 87.620 > 1 2 Sr 0.97601304625624 0.88663485915409 0.43179097942825 87.620 > 1 3 Sr 0.47601304625624 0.88663485915409 0.93179097942825 87.620 > 1 4 Sr 0.97601304625624 0.88663485915409 0.93179097942825 87.620 > 1 5 Sr 0.28209153119455 0.23726589266724 0.37990083139358 87.620 > 5 6 Sr 0.78209153119455 0.23726589266724 0.37990083139358 87.620 > 5 7 Sr 0.28209153119455 0.23726589266724 0.87990083139358 87.620 > 5 8 Sr 0.78209153119455 0.23726589266724 0.87990083139358 87.620 > 5 9 Sr 0.02398695374376 0.11336514084591 0.06820902057175 87.620 > 9 10 Sr 0.52398695374376 0.11336514084591 0.06820902057175 87.620 > 9 11 Sr 0.02398695374376 0.11336514084591 0.56820902057175 87.620 > 9 12 Sr 0.52398695374376 0.11336514084591 0.56820902057175 87.620 > 9 13 Sr 0.21790846880545 0.76273410733276 0.12009916860642 87.620 > 13 14 Sr 0.71790846880545 0.76273410733276 0.12009916860642 87.620 > 13 15 Sr 0.21790846880545 0.76273410733276 0.62009916860642 87.620 > 13 16 Sr 0.71790846880545 0.76273410733276 0.62009916860642 87.620 > 13 17 Sr 0.47601304625624 0.61336514084591 0.18179097942825 87.620 > 17 18 Sr 0.97601304625624 0.61336514084591 0.18179097942825 87.620 > 17 19 Sr 0.47601304625624 0.61336514084591 0.68179097942825 87.620 > 17 20 Sr 0.97601304625624 0.61336514084591 0.68179097942825 87.620 > 17 21 Sr 0.28209153119455 0.26273410733276 0.12990083139358 87.620 > 21 22 Sr 0.78209153119455 0.26273410733276 0.12990083139358 87.620 > 21 23 Sr 0.28209153119455 0.26273410733276 0.62990083139358 87.620 > 21 24 Sr 0.78209153119455 0.26273410733276 0.62990083139358 87.620 > 21 25 Sr 0.21790846880545 0.73726589266724 0.37009916860642 87.620 > 25 26 Sr 0.71790846880545 0.73726589266724 0.37009916860642 87.620 > 25 27 Sr 0.21790846880545 0.73726589266724 0.87009916860642 87.620 > 25 28 Sr 0.71790846880545 0.73726589266724 0.87009916860642 87.620 > 25 29 Sr 0.02398695374376 0.38663485915409 0.31820902057175 87.620 > 29 30 Sr 0.52398695374376 0.38663485915409 0.31820902057175 87.620 > 29 31 Sr 0.02398695374376 0.38663485915409 0.81820902057175 87.620 > 29 32 Sr 0.52398695374376 0.38663485915409 0.81820902057175 87.620 > 29 33 Tl 0.47600018032669 0.60688377113628 0.43080596420323 204.383 > 33 34 Tl 0.97600018032669 0.60688377113628 0.43080596420323 204.383 > 33 35 Tl 0.47600018032669 0.60688377113628 0.93080596420323 204.383 > 33 36 Tl 0.97600018032669 0.60688377113628 0.93080596420323 204.383 > 33 37 Tl 0.25000000000000 0.00000000000000 0.00000000000000 204.383 > 37 38 Tl 0.75000000000000 0.00000000000000 0.00000000000000 204.383 > 37 39 Tl 0.25000000000000 0.00000000000000 0.50000000000000 204.383 > 37 40 Tl 0.75000000000000 0.00000000000000 0.50000000000000 204.383 > 37 41 Tl 0.02399981967331 0.39311622886372 0.06919403579677 204.383 > 41 42 Tl 0.52399981967331 0.39311622886372 0.06919403579677 204.383 > 41 43 Tl 0.02399981967331 0.39311622886372 0.56919403579677 204.383 > 41 44 Tl 0.52399981967331 0.39311622886372 0.56919403579677 204.383 > 41 45 Tl 0.25000000000000 0.50000000000000 0.00000000000000 204.383 > 45 46 Tl 0.75000000000000 0.50000000000000 0.00000000000000 204.383 > 45 47 Tl 0.25000000000000 0.50000000000000 0.50000000000000 204.383 > 45 48 Tl 0.75000000000000 0.50000000000000 0.50000000000000 204.383 > 45 49 Tl 0.47600018032669 0.89311622886372 0.18080596420323 204.383 > 49 50 Tl 0.97600018032669 0.89311622886372 0.18080596420323 204.383 > 49 51 Tl 0.47600018032669 0.89311622886372 0.68080596420323 204.383 > 49 52 Tl 0.97600018032669 0.89311622886372 0.68080596420323 204.383 > 49 53 Tl 0.25000000000000 0.50000000000000 0.25000000000000 204.383 > 53 54 Tl 0.75000000000000 0.50000000000000 0.25000000000000 204.383 > 53 55 Tl 0.25000000000000 0.50000000000000 0.75000000000000 204.383 > 53 56 Tl 0.75000000000000 0.50000000000000 0.75000000000000 204.383 > 53 57 Tl 0.02399981967331 0.10688377113628 0.31919403579677 204.383 > 57 58 Tl 0.52399981967331 0.10688377113628 0.31919403579677 204.383 > 57 59 Tl 0.02399981967331 0.10688377113628 0.81919403579677 204.383 > 57 60 Tl 0.52399981967331 0.10688377113628 0.81919403579677 204.383 > 57 61 Tl 0.25000000000000 0.00000000000000 0.25000000000000 204.383 > 61 62 Tl 0.75000000000000 0.00000000000000 0.25000000000000 204.383 > 61 63 Tl 0.25000000000000 0.00000000000000 0.75000000000000 204.383 > 61 64 Tl 0.75000000000000 0.00000000000000 0.75000000000000 204.383 > 61 65 O 0.16828964102461 0.36116418394646 0.48207886054115 15.999 > 65 66 O 0.66828964102461 0.36116418394646 0.48207886054115 15.999 > 65 67 O 0.16828964102461 0.36116418394646 0.98207886054115 15.999 > 65 68 O 0.66828964102461 0.36116418394646 0.98207886054115 15.999 > 65 69 O 0.06856072411669 0.73431837824368 0.46041915892802 15.999 > 69 70 O 0.56856072411669 0.73431837824368 0.46041915892802 15.999 > 69 71 O 0.06856072411669 0.73431837824368 0.96041915892802 15.999 > 69 72 O 0.56856072411669 0.73431837824368 0.96041915892802 15.999 > 69 73 O 0.38344019177883 0.05460917348869 0.40738112413180 15.999 > 73 74 O 0.88344019177883 0.05460917348869 0.40738112413180 15.999 > 73 75 O 0.38344019177883 0.05460917348869 0.90738112413180 15.999 > 73 76 O 0.88344019177883 0.05460917348869 0.90738112413180 15.999 > 73 77 O 0.17551468074043 0.13994605944590 0.48062098064932 15.999 > 77 78 O 0.67551468074043 0.13994605944590 0.48062098064932 15.999 > 77 79 O 0.17551468074043 0.13994605944590 0.98062098064932 15.999 > 77 80 O 0.67551468074043 0.13994605944590 0.98062098064932 15.999 > 77 81 O 0.39510073651948 0.46527361318453 0.41144476374706 15.999 > 81 82 O 0.89510073651948 0.46527361318453 0.41144476374706 15.999 > 81 83 O 0.39510073651948 0.46527361318453 0.91144476374706 15.999 > 81 84 O 0.89510073651948 0.46527361318453 0.91144476374706 15.999 > 81 85 O 0.33171035897539 0.63883581605354 0.01792113945885 15.999 > 85 86 O 0.83171035897539 0.63883581605354 0.01792113945885 15.999 > 85 87 O 0.33171035897539 0.63883581605354 0.51792113945885 15.999 > 85 88 O 0.83171035897539 0.63883581605354 0.51792113945885 15.999 > 85 89 O 0.11655980822117 0.94539082651131 0.09261887586820 15.999 > 89 90 O 0.61655980822117 0.94539082651131 0.09261887586820 15.999 > 89 91 O 0.11655980822117 0.94539082651131 0.59261887586820 15.999 > 89 92 O 0.61655980822117 0.94539082651131 0.59261887586820 15.999 > 89 93 O 0.32448531925957 0.86005394055410 0.01937901935068 15.999 > 93 94 O 0.82448531925957 0.86005394055410 0.01937901935068 15.999 > 93 95 O 0.32448531925957 0.86005394055410 0.51937901935068 15.999 > 93 96 O 0.82448531925957 0.86005394055410 0.51937901935068 15.999 > 93 97 O 0.10489926348052 0.53472638681547 0.08855523625294 15.999 > 97 98 O 0.60489926348052 0.53472638681547 0.08855523625294 15.999 > 97 99 O 0.10489926348052 0.53472638681547 0.58855523625294 15.999 > 97 100 O 0.60489926348052 0.53472638681547 0.58855523625294 15.999 > 97 101 O 0.43143927588331 0.26568162175632 0.03958084107198 15.999 > 101 102 O 0.93143927588331 0.26568162175632 0.03958084107198 15.999 > 101 103 O 0.43143927588331 0.26568162175632 0.53958084107198 15.999 > 101 104 O 0.93143927588331 0.26568162175632 0.53958084107198 15.999 > 101 105 O 0.17551468074043 0.36005394055410 0.23062098064932 15.999 > 105 106 O 0.67551468074043 0.36005394055410 0.23062098064932 15.999 > 105 107 O 0.17551468074043 0.36005394055410 0.73062098064932 15.999 > 105 108 O 0.67551468074043 0.36005394055410 0.73062098064932 15.999 > 105 109 O 0.16828964102461 0.13883581605354 0.23207886054115 15.999 > 109 110 O 0.66828964102461 0.13883581605354 0.23207886054115 15.999 > 109 111 O 0.16828964102461 0.13883581605354 0.73207886054115 15.999 > 109 112 O 0.66828964102461 0.13883581605354 0.73207886054115 15.999 > 109 113 O 0.06856072411669 0.76568162175632 0.21041915892802 15.999 > 113 114 O 0.56856072411669 0.76568162175632 0.21041915892802 15.999 > 113 115 O 0.06856072411669 0.76568162175632 0.71041915892802 15.999 > 113 116 O 0.56856072411669 0.76568162175632 0.71041915892802 15.999 > 113 117 O 0.38344019177883 0.44539082651131 0.15738112413180 15.999 > 117 118 O 0.88344019177883 0.44539082651131 0.15738112413180 15.999 > 117 119 O 0.38344019177883 0.44539082651131 0.65738112413180 15.999 > 117 120 O 0.88344019177883 0.44539082651131 0.65738112413180 15.999 > 117 121 O 0.39510073651948 0.03472638681547 0.16144476374706 15.999 > 121 122 O 0.89510073651948 0.03472638681547 0.16144476374706 15.999 > 121 123 O 0.39510073651948 0.03472638681547 0.66144476374706 15.999 > 121 124 O 0.89510073651948 0.03472638681547 0.66144476374706 15.999 > 121 125 O 0.10489926348052 0.96527361318453 0.33855523625294 15.999 > 125 126 O 0.60489926348052 0.96527361318453 0.33855523625294 15.999 > 125 127 O 0.10489926348052 0.96527361318453 0.83855523625294 15.999 > 125 128 O 0.60489926348052 0.96527361318453 0.83855523625294 15.999 > 125 129 O 0.11655980822117 0.55460917348869 0.34261887586820 15.999 > 129 130 O 0.61655980822117 0.55460917348869 0.34261887586820 15.999 > 129 131 O 0.11655980822117 0.55460917348869 0.84261887586820 15.999 > 129 132 O 0.61655980822117 0.55460917348869 0.84261887586820 15.999 > 129 133 O 0.43143927588331 0.23431837824368 0.28958084107198 15.999 > 133 134 O 0.93143927588331 0.23431837824368 0.28958084107198 15.999 > 133 135 O 0.43143927588331 0.23431837824368 0.78958084107198 15.999 > 133 136 O 0.93143927588331 0.23431837824368 0.78958084107198 15.999 > 133 137 O 0.33171035897539 0.86116418394646 0.26792113945885 15.999 > 137 138 O 0.83171035897539 0.86116418394646 0.26792113945885 15.999 > 137 139 O 0.33171035897539 0.86116418394646 0.76792113945885 15.999 > 137 140 O 0.83171035897539 0.86116418394646 0.76792113945885 15.999 > 137 141 O 0.32448531925957 0.63994605944590 0.26937901935068 15.999 > 141 142 O 0.82448531925957 0.63994605944590 0.26937901935068 15.999 > 141 143 O 0.32448531925957 0.63994605944590 0.76937901935068 15.999 > 141 144 O 0.82448531925957 0.63994605944590 0.76937901935068 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.8983437 0.0000000 -0.0659006 0.0000000 5.6570152 0.0000000 -0.0659022 0.0000000 5.5596640 -------------------------- Born effective charges -------------------------- 1 Sr 2.3559426 0.0608997 0.0339357 -0.3323735 2.5618095 -0.2065812 0.0466602 -0.0532877 2.6774681 2 Sr 2.4320606 0.0721734 -0.0402689 0.0486857 2.8844322 0.5663512 -0.0154730 0.1657444 2.5619812 3 Sr 2.3559426 0.0608997 0.0339357 -0.3323735 2.5618095 -0.2065812 0.0466602 -0.0532877 2.6774681 4 Sr 2.4320606 0.0721734 -0.0402689 0.0486857 2.8844322 0.5663512 -0.0154730 0.1657444 2.5619812 5 Sr 2.3559426 -0.0608997 0.0339357 0.3323735 2.5618095 0.2065812 0.0466602 0.0532877 2.6774681 6 Sr 2.4320606 -0.0721734 -0.0402689 -0.0486857 2.8844322 -0.5663512 -0.0154730 -0.1657444 2.5619812 7 Sr 2.4320606 -0.0721734 -0.0402689 -0.0486857 2.8844322 -0.5663512 -0.0154730 -0.1657444 2.5619812 8 Sr 2.3559426 -0.0608997 0.0339357 0.3323735 2.5618095 0.2065812 0.0466602 0.0532877 2.6774681 9 Tl 3.7266663 -0.0011150 -0.0984112 0.2583791 2.7225802 0.0567340 -0.0267109 -0.1107963 3.0319911 10 Tl 3.5768442 0.0680610 -0.1492550 -0.0275101 2.3943107 -0.3911743 -0.2225354 -0.6438711 3.8099365 11 Tl 3.7266663 -0.0011150 -0.0984112 0.2583791 2.7225802 0.0567340 -0.0267109 -0.1107963 3.0319911 12 Tl 3.5313856 0.3485702 0.0962914 0.3391990 2.4008288 -0.2657479 -0.0006699 -0.4496275 3.1832922 13 Tl 3.7266663 0.0011150 -0.0984112 -0.2583791 2.7225802 -0.0567340 -0.0267109 0.1107963 3.0319911 14 Tl 3.5768442 -0.0680610 -0.1492550 0.0275101 2.3943107 0.3911743 -0.2225354 0.6438711 3.8099365 15 Tl 3.7266663 0.0011150 -0.0984112 -0.2583791 2.7225802 -0.0567340 -0.0267109 0.1107963 3.0319911 16 Tl 3.5313856 -0.3485702 0.0962914 -0.3391990 2.4008288 0.2657479 -0.0006699 0.4496275 3.1832922 17 O -2.2664569 0.0503718 0.1043811 -0.0688255 -2.0721906 0.0047314 0.0702805 0.0796557 -2.1712464 18 O -2.0408701 -0.0504858 -0.0004993 -0.4719805 -2.8889576 -0.2608232 -0.0877268 -0.2416738 -1.8251799 19 O -2.8514609 -0.3672664 0.2463491 -0.2997339 -1.8586406 -0.0389123 0.2680031 -0.0172379 -2.6728795 20 O -2.2867894 -0.1229188 -0.1068485 -0.0927998 -2.1103497 -0.0690735 -0.0421198 -0.0243820 -2.3730829 21 O -2.6232070 -0.0341878 -0.1121561 0.1560306 -1.6362533 0.1099338 -0.1013106 0.2023552 -2.7256662 22 O -2.2664569 0.0503718 0.1043811 -0.0688255 -2.0721906 0.0047314 0.0702805 0.0796557 -2.1712464 23 O -2.8514609 -0.3672664 0.2463491 -0.2997339 -1.8586406 -0.0389123 0.2680031 -0.0172379 -2.6728795 24 O -2.2867894 -0.1229188 -0.1068485 -0.0927998 -2.1103497 -0.0690735 -0.0421198 -0.0243820 -2.3730829 25 O -2.6232070 -0.0341878 -0.1121561 0.1560306 -1.6362533 0.1099338 -0.1013106 0.2023552 -2.7256662 26 O -2.0408701 -0.0504858 -0.0004993 -0.4719805 -2.8889576 -0.2608232 -0.0877268 -0.2416738 -1.8251799 27 O -2.2867894 0.1229188 -0.1068485 0.0927998 -2.1103497 0.0690735 -0.0421198 0.0243820 -2.3730829 28 O -2.2664569 -0.0503718 0.1043811 0.0688255 -2.0721906 -0.0047314 0.0702805 -0.0796557 -2.1712464 29 O -2.0408701 0.0504858 -0.0004993 0.4719805 -2.8889576 0.2608232 -0.0877268 0.2416738 -1.8251799 30 O -2.8514609 0.3672664 0.2463491 0.2997339 -1.8586406 0.0389123 0.2680031 0.0172379 -2.6728795 31 O -2.6232070 0.0341878 -0.1121561 -0.1560306 -1.6362533 -0.1099338 -0.1013106 -0.2023552 -2.7256662 32 O -2.6232070 0.0341878 -0.1121561 -0.1560306 -1.6362533 -0.1099338 -0.1013106 -0.2023552 -2.7256662 33 O -2.8514609 0.3672664 0.2463491 0.2997339 -1.8586406 0.0389123 0.2680031 0.0172379 -2.6728795 34 O -2.0408701 0.0504858 -0.0004993 0.4719805 -2.8889576 0.2608232 -0.0877268 0.2416738 -1.8251799 35 O -2.2664569 -0.0503718 0.1043811 0.0688255 -2.0721906 -0.0047314 0.0702805 -0.0796557 -2.1712464 36 O -2.2867894 0.1229188 -0.1068485 0.0927998 -2.1103497 0.0690735 -0.0421198 0.0243820 -2.3730829 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- 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 ... [ 9 4 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: 0.50, Number of G-points: 293, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/96) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 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 0.813 ( 0.000 0.000 0.000) 0.000 1.399 ( 0.000 0.000 0.000) 0.000 1.596 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.887 ( 0.000 0.000 0.000) 0.000 1.895 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.038 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.254 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.440 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.716 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.833 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.159 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.280 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.566 ( 0.000 0.000 0.000) 0.000 3.716 ( 0.000 0.000 0.000) 0.000 3.744 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.021 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.144 ( 0.000 0.000 0.000) 0.000 4.215 ( 0.000 0.000 0.000) 0.000 4.227 ( 0.000 0.000 0.000) 0.000 4.447 ( 0.000 0.000 0.000) 0.000 4.522 ( 0.000 0.000 0.000) 0.000 4.649 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.828 ( 0.000 0.000 0.000) 0.000 5.034 ( 0.000 0.000 0.000) 0.000 5.111 ( 0.000 0.000 0.000) 0.000 5.362 ( 0.000 0.000 0.000) 0.000 5.494 ( 0.000 0.000 0.000) 0.000 5.761 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.953 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.256 ( 0.000 0.000 0.000) 0.000 6.262 ( 0.000 0.000 0.000) 0.000 6.553 ( 0.000 0.000 0.000) 0.000 6.573 ( 0.000 0.000 0.000) 0.000 6.916 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 7.277 ( 0.000 0.000 0.000) 0.000 7.280 ( 0.000 0.000 0.000) 0.000 7.407 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.817 ( 0.000 0.000 0.000) 0.000 7.885 ( 0.000 0.000 0.000) 0.000 7.902 ( 0.000 0.000 0.000) 0.000 8.004 ( 0.000 0.000 0.000) 0.000 8.037 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.462 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 8.792 ( 0.000 0.000 0.000) 0.000 8.856 ( 0.000 0.000 0.000) 0.000 9.072 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.242 ( 0.000 0.000 0.000) 0.000 9.751 ( 0.000 0.000 0.000) 0.000 9.774 ( 0.000 0.000 0.000) 0.000 9.794 ( 0.000 0.000 0.000) 0.000 9.904 ( 0.000 0.000 0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.179 ( 0.000 0.000 0.000) 0.000 10.287 ( 0.000 0.000 0.000) 0.000 10.415 ( 0.000 0.000 0.000) 0.000 10.427 ( 0.000 0.000 0.000) 0.000 10.912 ( 0.000 0.000 0.000) 0.000 10.914 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.835 ( 0.000 0.000 0.000) 0.000 12.018 ( 0.000 0.000 0.000) 0.000 12.196 ( 0.000 0.000 0.000) 0.000 12.208 ( 0.000 0.000 0.000) 0.000 12.331 ( 0.000 0.000 0.000) 0.000 12.446 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 12.853 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.150 ( 0.000 0.000 0.000) 0.000 13.211 ( 0.000 0.000 0.000) 0.000 13.407 ( 0.000 0.000 0.000) 0.000 13.789 ( 0.000 0.000 0.000) 0.000 14.158 ( 0.000 0.000 0.000) 0.000 15.082 ( 0.000 0.000 0.000) 0.000 15.865 ( 0.000 0.000 0.000) 0.000 15.893 ( 0.000 0.000 0.000) 0.000 16.016 ( 0.000 0.000 0.000) 0.000 17.025 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 20.710 0.000 3.654) 21.030 0.455 ( 22.386 0.000 4.565) 22.846 0.814 ( 39.110 0.000 12.037) 40.920 0.873 ( 6.049 0.000 0.168) 6.051 1.406 ( 1.573 0.000 0.230) 1.590 1.586 ( -4.830 0.000 -3.195) 5.791 1.802 ( -0.226 0.000 1.766) 1.781 1.815 ( -3.139 0.000 -2.838) 4.232 1.875 ( -2.590 0.000 1.204) 2.856 1.943 ( -0.147 0.000 1.273) 1.281 1.977 ( -1.689 0.000 2.522) 3.035 1.977 ( 0.700 0.000 -0.690) 0.983 2.020 ( -1.179 0.000 -1.800) 2.152 2.132 ( 1.636 0.000 4.514) 4.801 2.239 ( -2.837 0.000 4.014) 4.916 2.363 ( 3.506 0.000 -1.395) 3.773 2.419 ( -2.334 0.000 -0.748) 2.451 2.449 ( -0.245 0.000 0.394) 0.464 2.666 ( 3.905 0.000 1.494) 4.181 2.718 ( -2.049 0.000 1.065) 2.309 2.721 ( 0.895 0.000 -2.480) 2.636 2.806 ( -0.669 0.000 -2.055) 2.161 2.837 ( -2.672 0.000 -5.613) 6.216 2.848 ( -0.243 0.000 8.241) 8.245 3.061 ( -7.606 0.000 -4.398) 8.786 3.109 ( 1.361 0.000 -0.065) 1.363 3.161 ( -5.396 0.000 7.913) 9.578 3.256 ( 1.617 0.000 -4.590) 4.867 3.306 ( 1.891 0.000 -2.240) 2.932 3.374 ( 5.172 0.000 3.189) 6.076 3.584 ( -4.714 0.000 -0.130) 4.715 3.630 ( -5.103 0.000 -4.921) 7.089 3.687 ( -7.629 0.000 3.959) 8.595 3.916 ( -4.707 0.000 1.620) 4.978 4.007 ( -1.252 0.000 -6.124) 6.250 4.082 ( -5.823 0.000 -0.031) 5.823 4.219 ( 4.251 0.000 -3.148) 5.290 4.264 ( 6.022 0.000 -2.493) 6.518 4.275 ( 3.942 0.000 1.822) 4.343 4.458 ( 1.998 0.000 -3.505) 4.034 4.685 ( 6.528 0.000 14.534) 15.933 4.701 ( -3.443 0.000 2.752) 4.408 4.795 ( 8.936 0.000 3.234) 9.503 4.873 ( 2.587 0.000 1.470) 2.975 5.163 ( 2.599 0.000 6.994) 7.462 5.286 ( -8.551 0.000 38.596) 39.531 5.437 ( 3.917 0.000 8.677) 9.520 5.472 ( -1.615 0.000 -1.774) 2.399 5.772 ( -7.813 0.000 3.573) 8.592 5.915 ( 3.452 0.000 -1.946) 3.962 5.926 ( 0.082 0.000 -3.393) 3.394 6.076 ( 6.390 0.000 0.562) 6.415 6.317 ( 7.267 0.000 -2.064) 7.555 6.535 ( -0.824 0.000 -0.005) 0.824 6.720 ( 16.168 0.000 -5.660) 17.130 6.752 ( 0.730 0.000 -10.196) 10.222 6.979 ( 2.626 0.000 0.017) 2.627 6.996 ( 4.327 0.000 0.020) 4.327 7.260 ( -1.643 0.000 0.014) 1.643 7.268 ( -0.651 0.000 -1.306) 1.459 7.370 ( -1.027 0.000 -4.072) 4.199 7.650 ( -2.352 0.000 -3.551) 4.259 7.715 ( 11.222 0.000 -28.210) 30.360 7.880 ( 1.438 0.000 3.062) 3.383 7.936 ( 3.752 0.000 -2.463) 4.488 8.005 ( 1.322 0.000 6.195) 6.334 8.059 ( 2.066 0.000 1.266) 2.423 8.149 ( -1.684 0.000 6.734) 6.941 8.424 ( -2.263 0.000 -4.419) 4.965 8.658 ( -0.890 0.000 -8.088) 8.136 8.677 ( 0.543 0.000 5.943) 5.968 8.874 ( 0.508 0.000 7.579) 7.596 8.941 ( 7.488 0.000 2.275) 7.826 9.084 ( 2.401 0.000 -2.212) 3.265 9.359 ( 10.754 0.000 -0.257) 10.757 9.669 ( -6.282 0.000 -4.664) 7.824 9.680 ( -7.974 0.000 -4.168) 8.997 9.767 ( -0.548 0.000 -2.188) 2.255 9.902 ( -0.791 0.000 1.633) 1.815 10.006 ( -0.341 0.000 5.699) 5.709 10.106 ( -0.763 0.000 2.836) 2.937 10.150 ( -1.773 0.000 0.576) 1.864 10.222 ( -4.041 0.000 -1.938) 4.482 10.380 ( -5.288 0.000 2.737) 5.955 10.426 ( -1.606 0.000 2.269) 2.780 10.649 ( -2.571 0.000 13.078) 13.328 10.885 ( -1.524 0.000 -4.703) 4.944 11.717 ( 2.226 0.000 -1.991) 2.987 11.842 ( 0.930 0.000 -1.412) 1.690 12.015 ( 0.506 0.000 1.752) 1.824 12.146 ( -0.664 0.000 -4.866) 4.911 12.252 ( 2.165 0.000 0.388) 2.199 12.316 ( -1.433 0.000 -0.874) 1.678 12.456 ( 1.025 0.000 1.644) 1.938 12.511 ( -0.115 0.000 4.100) 4.102 12.773 ( 0.047 0.000 -0.007) 0.048 12.894 ( 2.415 0.000 0.835) 2.555 13.086 ( -0.454 0.000 -0.845) 0.959 13.169 ( -2.978 0.000 0.101) 2.980 13.186 ( 0.942 0.000 -3.219) 3.354 13.454 ( 3.466 0.000 0.576) 3.514 13.794 ( 0.767 0.000 -0.514) 0.923 14.160 ( -0.044 0.000 0.600) 0.601 15.014 ( -6.498 0.000 -3.671) 7.463 15.856 ( -0.850 0.000 -0.444) 0.959 15.946 ( 4.100 0.000 3.003) 5.082 16.285 ( -1.482 0.000 3.866) 4.140 16.925 ( -9.165 0.000 -3.084) 9.670 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 18.531 0.000 3.425) 18.845 0.867 ( 19.377 0.000 4.063) 19.798 1.020 ( 9.263 0.000 0.060) 9.263 1.476 ( 5.367 0.000 0.766) 5.422 1.502 ( 8.827 0.000 2.515) 9.178 1.549 ( 22.568 0.000 5.157) 23.150 1.743 ( -3.462 0.000 -1.540) 3.789 1.775 ( -2.721 0.000 1.638) 3.176 1.881 ( 1.657 0.000 1.351) 2.138 1.914 ( -1.628 0.000 -1.218) 2.034 1.987 ( 2.337 0.000 0.225) 2.348 2.000 ( 0.645 0.000 1.279) 1.432 2.008 ( 0.769 0.000 1.005) 1.265 2.179 ( -0.042 0.000 2.485) 2.485 2.220 ( -1.305 0.000 3.162) 3.420 2.342 ( -5.368 0.000 -0.256) 5.374 2.389 ( -0.138 0.000 0.458) 0.479 2.498 ( 3.331 0.000 1.806) 3.789 2.615 ( -8.014 0.000 -1.548) 8.162 2.648 ( -5.404 0.000 -0.792) 5.462 2.703 ( -1.942 0.000 -7.864) 8.100 2.748 ( -2.699 0.000 3.320) 4.278 2.753 ( -4.651 0.000 0.510) 4.679 2.915 ( 1.898 0.000 9.489) 9.677 2.952 ( -0.932 0.000 -6.336) 6.404 3.068 ( -5.244 0.000 2.651) 5.876 3.092 ( -3.964 0.000 -5.319) 6.634 3.260 ( -5.980 0.000 4.451) 7.455 3.347 ( 3.989 0.000 6.101) 7.289 3.386 ( -6.131 0.000 -8.073) 10.137 3.442 ( -0.386 0.000 1.023) 1.093 3.538 ( -7.872 0.000 3.569) 8.643 3.737 ( 10.439 0.000 -1.837) 10.599 3.889 ( -1.414 0.000 5.195) 5.384 3.977 ( 2.262 0.000 -2.480) 3.356 3.980 ( -3.470 0.000 0.959) 3.600 4.253 ( 3.722 0.000 -5.344) 6.512 4.342 ( 1.272 0.000 3.291) 3.528 4.368 ( 4.756 0.000 -0.444) 4.776 4.487 ( 2.511 0.000 -4.666) 5.298 4.637 ( -4.382 0.000 1.026) 4.501 4.824 ( 3.471 0.000 7.953) 8.677 4.892 ( -0.893 0.000 -2.393) 2.554 4.989 ( 6.935 0.000 0.176) 6.937 5.257 ( 1.582 0.000 13.791) 13.882 5.357 ( -3.447 0.000 17.672) 18.005 5.427 ( -1.520 0.000 -2.707) 3.104 5.523 ( -1.817 0.000 8.294) 8.491 5.684 ( 1.425 0.000 2.470) 2.852 5.911 ( -0.492 0.000 -2.917) 2.958 5.950 ( 1.740 0.000 -2.062) 2.698 6.190 ( 4.881 0.000 3.685) 6.116 6.473 ( 9.205 0.000 -2.576) 9.559 6.536 ( 1.761 0.000 -2.231) 2.842 6.709 ( -1.057 0.000 -3.202) 3.371 6.910 ( 1.383 0.000 0.978) 1.694 7.027 ( 1.659 0.000 0.509) 1.735 7.188 ( 3.155 0.000 -4.678) 5.643 7.239 ( 0.235 0.000 -1.929) 1.943 7.284 ( 19.476 0.000 -7.043) 20.711 7.311 ( -3.150 0.000 -1.940) 3.699 7.601 ( -0.781 0.000 -2.047) 2.191 7.788 ( 7.767 0.000 -10.726) 13.243 7.841 ( -3.309 0.000 -1.841) 3.787 7.984 ( 2.682 0.000 -3.060) 4.069 8.089 ( 1.175 0.000 8.776) 8.854 8.158 ( -2.189 0.000 8.500) 8.777 8.184 ( 8.053 0.000 6.307) 10.229 8.371 ( -1.057 0.000 -1.430) 1.778 8.643 ( 2.631 0.000 -4.497) 5.210 8.737 ( 0.462 0.000 10.327) 10.337 8.881 ( -3.770 0.000 7.188) 8.117 9.062 ( 3.805 0.000 -1.245) 4.004 9.189 ( 8.424 0.000 0.064) 8.424 9.442 ( -6.412 0.000 -4.606) 7.895 9.509 ( -5.785 0.000 -5.400) 7.914 9.598 ( 6.294 0.000 -1.158) 6.400 9.756 ( 1.033 0.000 0.193) 1.051 9.897 ( 0.160 0.000 -0.165) 0.230 10.015 ( -1.709 0.000 3.899) 4.257 10.045 ( -3.944 0.000 -2.744) 4.805 10.135 ( -8.117 0.000 7.755) 11.226 10.184 ( 1.156 0.000 7.714) 7.800 10.284 ( -6.979 0.000 5.754) 9.045 10.380 ( -2.059 0.000 0.003) 2.059 10.720 ( 6.237 0.000 1.833) 6.500 10.811 ( -2.483 0.000 -7.615) 8.010 11.771 ( 4.876 0.000 -1.875) 5.224 11.855 ( 1.607 0.000 -1.624) 2.284 12.054 ( -6.845 0.000 -4.519) 8.202 12.066 ( 2.954 0.000 3.091) 4.276 12.238 ( -2.876 0.000 -2.313) 3.690 12.280 ( -1.472 0.000 -1.658) 2.217 12.494 ( 0.819 0.000 2.795) 2.912 12.546 ( 1.497 0.000 3.499) 3.805 12.801 ( 2.277 0.000 0.916) 2.455 12.923 ( 0.191 0.000 0.561) 0.593 13.075 ( -0.062 0.000 -1.006) 1.008 13.138 ( -0.336 0.000 0.971) 1.028 13.187 ( 0.377 0.000 -0.774) 0.861 13.507 ( 1.734 0.000 -0.040) 1.735 13.813 ( 1.552 0.000 -0.713) 1.708 14.159 ( -0.530 0.000 0.844) 0.997 14.850 ( -8.064 0.000 -3.961) 8.984 15.834 ( -1.042 0.000 -0.619) 1.212 16.049 ( 4.431 0.000 3.849) 5.869 16.278 ( -0.714 0.000 1.361) 1.537 16.696 ( -12.140 0.000 -4.176) 12.839 ======================= Grid point 3 (4/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 15.257 0.000 2.525) 15.465 1.199 ( 10.858 0.000 -0.775) 10.886 1.224 ( 15.968 0.000 4.527) 16.597 1.554 ( 8.511 0.000 0.578) 8.530 1.648 ( -4.436 0.000 0.907) 4.528 1.695 ( -4.900 0.000 1.793) 5.218 1.762 ( 12.811 0.000 2.878) 13.130 1.875 ( 4.820 0.000 0.581) 4.855 1.880 ( -1.029 0.000 -1.066) 1.482 1.957 ( 5.256 0.000 1.093) 5.369 1.998 ( -0.186 0.000 0.589) 0.618 2.010 ( 0.248 0.000 0.260) 0.359 2.124 ( -6.128 0.000 -0.004) 6.128 2.127 ( 6.845 0.000 0.872) 6.900 2.205 ( -2.962 0.000 3.090) 4.280 2.220 ( -6.775 0.000 -0.342) 6.784 2.334 ( -7.030 0.000 -2.908) 7.608 2.508 ( -1.352 0.000 -1.852) 2.293 2.524 ( -4.188 0.000 0.177) 4.192 2.596 ( 0.196 0.000 1.948) 1.957 2.619 ( 0.892 0.000 -0.913) 1.276 2.662 ( -4.962 0.000 1.682) 5.240 2.765 ( 0.897 0.000 4.715) 4.799 2.883 ( -6.152 0.000 -4.292) 7.502 2.914 ( -7.640 0.000 -7.736) 10.873 2.991 ( -3.194 0.000 -2.296) 3.933 3.057 ( 10.299 0.000 7.661) 12.836 3.214 ( -2.422 0.000 5.760) 6.248 3.282 ( -1.374 0.000 -6.671) 6.811 3.300 ( -6.316 0.000 4.687) 7.865 3.423 ( -5.572 0.000 0.134) 5.574 3.563 ( 6.833 0.000 7.436) 10.099 3.853 ( -2.365 0.000 0.991) 2.564 3.855 ( 4.787 0.000 -5.475) 7.272 4.038 ( 4.974 0.000 5.451) 7.380 4.107 ( 9.182 0.000 1.318) 9.276 4.312 ( 4.948 0.000 -5.461) 7.370 4.338 ( -3.541 0.000 2.468) 4.316 4.409 ( -0.405 0.000 -1.673) 1.721 4.502 ( 2.249 0.000 0.208) 2.258 4.558 ( -5.327 0.000 1.484) 5.530 4.820 ( -3.486 0.000 -2.652) 4.380 4.898 ( 0.225 0.000 1.528) 1.544 5.029 ( 0.200 0.000 -2.154) 2.164 5.241 ( -10.367 0.000 -0.932) 10.409 5.352 ( 0.158 0.000 5.547) 5.550 5.419 ( 3.023 0.000 2.001) 3.625 5.601 ( 3.461 0.000 10.134) 10.709 5.801 ( 5.551 0.000 4.698) 7.272 5.861 ( -3.199 0.000 -2.167) 3.864 5.984 ( 2.811 0.000 2.112) 3.516 6.323 ( 6.691 0.000 7.186) 9.819 6.570 ( 3.024 0.000 -2.386) 3.852 6.574 ( 2.865 0.000 -3.157) 4.264 6.697 ( 1.207 0.000 -1.364) 1.822 6.871 ( -5.431 0.000 3.404) 6.409 7.025 ( -1.563 0.000 -1.719) 2.324 7.063 ( -6.490 0.000 -11.418) 13.133 7.216 ( -0.782 0.000 -6.228) 6.277 7.284 ( 0.484 0.000 3.355) 3.390 7.585 ( -0.605 0.000 -0.340) 0.694 7.696 ( 17.694 0.000 -5.334) 18.481 7.811 ( 3.923 0.000 0.716) 3.988 7.869 ( 5.108 0.000 -5.180) 7.275 8.010 ( 1.382 0.000 -0.125) 1.387 8.150 ( -2.146 0.000 3.588) 4.180 8.158 ( 1.223 0.000 6.457) 6.572 8.351 ( -2.346 0.000 2.812) 3.662 8.352 ( 7.184 0.000 3.404) 7.950 8.691 ( 3.054 0.000 -1.346) 3.337 8.775 ( -2.897 0.000 9.572) 10.001 8.841 ( -2.172 0.000 4.363) 4.874 9.096 ( 0.118 0.000 -5.220) 5.221 9.221 ( -1.808 0.000 0.825) 1.988 9.318 ( -1.800 0.000 -5.696) 5.974 9.508 ( 5.021 0.000 0.151) 5.024 9.660 ( -0.218 0.000 -3.218) 3.225 9.833 ( 4.443 0.000 2.410) 5.054 9.917 ( 1.801 0.000 -1.392) 2.276 9.968 ( -6.018 0.000 0.801) 6.071 9.968 ( 1.312 0.000 -8.257) 8.361 10.022 ( -6.584 0.000 11.722) 13.445 10.171 ( -7.247 0.000 8.359) 11.063 10.275 ( 0.897 0.000 12.039) 12.073 10.376 ( 1.319 0.000 -1.545) 2.032 10.721 ( -2.291 0.000 -8.407) 8.713 10.912 ( 12.690 0.000 3.686) 13.214 11.844 ( -7.064 0.000 -6.563) 9.642 11.884 ( 2.379 0.000 0.540) 2.439 11.884 ( 2.541 0.000 -2.298) 3.426 12.131 ( -0.881 0.000 3.216) 3.334 12.152 ( -1.558 0.000 -2.210) 2.704 12.234 ( -2.786 0.000 -1.985) 3.421 12.498 ( -1.534 0.000 1.367) 2.055 12.597 ( 1.818 0.000 2.947) 3.463 12.842 ( 1.052 0.000 -0.331) 1.102 12.920 ( -0.097 0.000 0.704) 0.710 13.071 ( 0.306 0.000 -1.078) 1.121 13.164 ( 1.830 0.000 1.687) 2.489 13.190 ( 0.155 0.000 0.024) 0.157 13.516 ( -0.334 0.000 -0.828) 0.893 13.841 ( 1.798 0.000 -0.583) 1.890 14.149 ( -0.962 0.000 0.721) 1.202 14.696 ( -6.131 0.000 -2.670) 6.687 15.816 ( -0.480 0.000 -0.435) 0.648 16.139 ( 2.948 0.000 3.426) 4.520 16.273 ( -0.250 0.000 -0.034) 0.253 16.470 ( -9.192 0.000 -3.233) 9.744 ======================= Grid point 4 (5/96) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 9.020 0.000 0.245) 9.023 1.384 ( 10.849 0.000 0.994) 10.895 1.518 ( 4.162 0.000 -0.996) 4.280 1.552 ( 3.037 0.000 4.323) 5.283 1.585 ( -7.315 0.000 0.498) 7.331 1.742 ( 7.622 0.000 0.817) 7.666 1.771 ( -7.387 0.000 -1.953) 7.641 1.951 ( -1.035 0.000 0.170) 1.049 1.963 ( 6.096 0.000 -0.120) 6.098 1.990 ( 0.051 0.000 0.807) 0.809 1.991 ( -4.508 0.000 0.812) 4.581 2.038 ( 2.035 0.000 2.139) 2.952 2.053 ( 2.892 0.000 -0.844) 3.013 2.137 ( -2.837 0.000 0.504) 2.882 2.185 ( -5.186 0.000 -2.008) 5.561 2.192 ( -2.932 0.000 -1.117) 3.137 2.239 ( 10.662 0.000 3.280) 11.155 2.432 ( -0.917 0.000 2.030) 2.227 2.484 ( -2.660 0.000 -3.479) 4.380 2.538 ( -6.466 0.000 -2.570) 6.958 2.585 ( -2.785 0.000 -0.663) 2.863 2.607 ( -2.646 0.000 4.086) 4.868 2.680 ( -9.076 0.000 -4.800) 10.267 2.802 ( 1.462 0.000 -1.244) 1.920 2.881 ( 2.125 0.000 4.077) 4.598 2.930 ( -1.961 0.000 -1.393) 2.406 3.178 ( -0.078 0.000 -4.547) 4.548 3.217 ( -0.406 0.000 0.160) 0.436 3.254 ( -0.944 0.000 1.355) 1.651 3.345 ( -2.534 0.000 0.813) 2.661 3.437 ( 15.410 0.000 8.168) 17.441 3.683 ( 1.759 0.000 3.369) 3.800 3.857 ( 1.787 0.000 0.647) 1.900 3.897 ( 2.094 0.000 -2.295) 3.107 4.102 ( -9.851 0.000 -1.761) 10.007 4.143 ( 2.684 0.000 3.231) 4.200 4.334 ( 1.014 0.000 -4.604) 4.715 4.339 ( 3.710 0.000 -0.546) 3.750 4.359 ( -2.416 0.000 -1.778) 2.999 4.455 ( -4.050 0.000 -0.349) 4.065 4.620 ( 7.294 0.000 7.812) 10.688 4.807 ( -6.876 0.000 -7.287) 10.019 4.820 ( 2.571 0.000 3.870) 4.647 5.044 ( 0.890 0.000 1.017) 1.351 5.053 ( -7.063 0.000 -4.064) 8.149 5.349 ( -0.436 0.000 0.074) 0.442 5.504 ( 2.481 0.000 2.229) 3.335 5.686 ( 1.593 0.000 2.350) 2.839 5.794 ( -2.181 0.000 -1.122) 2.453 5.882 ( 1.486 0.000 1.303) 1.976 6.080 ( 3.499 0.000 4.664) 5.831 6.499 ( 7.053 0.000 6.072) 9.307 6.579 ( 0.068 0.000 -1.610) 1.611 6.607 ( 0.668 0.000 -0.424) 0.791 6.705 ( 0.107 0.000 -1.459) 1.463 6.793 ( -3.360 0.000 4.560) 5.664 6.871 ( -6.089 0.000 -11.308) 12.843 6.977 ( -1.438 0.000 -1.710) 2.234 7.185 ( -0.180 0.000 -1.614) 1.624 7.312 ( 0.619 0.000 0.878) 1.075 7.566 ( -0.681 0.000 -0.287) 0.739 7.783 ( 1.281 0.000 -0.598) 1.414 7.908 ( 1.217 0.000 -1.575) 1.991 8.026 ( 9.755 0.000 -0.473) 9.766 8.040 ( 1.364 0.000 0.611) 1.495 8.125 ( -1.476 0.000 0.454) 1.545 8.176 ( -2.084 0.000 2.285) 3.093 8.318 ( -1.799 0.000 1.664) 2.451 8.491 ( 5.821 0.000 0.260) 5.826 8.703 ( -0.614 0.000 0.946) 1.128 8.736 ( -4.251 0.000 4.206) 5.980 8.877 ( 2.260 0.000 1.026) 2.482 9.021 ( -2.682 0.000 -2.378) 3.584 9.244 ( 1.420 0.000 0.797) 1.629 9.321 ( 4.193 0.000 -4.312) 6.014 9.561 ( -6.999 0.000 0.074) 6.999 9.596 ( 3.369 0.000 0.919) 3.492 9.821 ( -3.234 0.000 -0.861) 3.347 9.886 ( -2.655 0.000 2.438) 3.605 9.942 ( 2.138 0.000 2.043) 2.957 9.997 ( -1.106 0.000 2.051) 2.330 10.021 ( 2.435 0.000 -10.455) 10.735 10.126 ( -0.930 0.000 8.251) 8.303 10.360 ( 1.278 0.000 8.530) 8.625 10.390 ( 0.612 0.000 -0.674) 0.911 10.642 ( -1.619 0.000 -5.448) 5.684 11.190 ( 12.560 0.000 5.252) 13.614 11.594 ( -11.488 0.000 -5.732) 12.839 11.915 ( 1.901 0.000 -2.407) 3.067 12.001 ( 5.854 0.000 0.927) 5.927 12.054 ( -3.307 0.000 0.646) 3.369 12.153 ( -4.359 0.000 -1.561) 4.630 12.191 ( 1.236 0.000 1.189) 1.715 12.470 ( -1.225 0.000 0.103) 1.229 12.636 ( 0.923 0.000 1.329) 1.618 12.834 ( -0.672 0.000 -0.650) 0.934 12.935 ( 0.687 0.000 0.432) 0.812 13.074 ( 0.328 0.000 -0.518) 0.613 13.192 ( 0.019 0.000 0.083) 0.085 13.202 ( 1.002 0.000 0.944) 1.377 13.499 ( -0.599 0.000 -0.629) 0.868 13.866 ( 0.849 0.000 -0.229) 0.880 14.136 ( -0.503 0.000 0.294) 0.583 14.606 ( -2.300 0.000 -0.897) 2.469 15.811 ( -0.003 0.000 -0.123) 0.123 16.191 ( 1.029 0.000 1.679) 1.969 16.268 ( -0.073 0.000 -0.503) 0.508 16.339 ( -3.364 0.000 -1.194) 3.570 ======================= Grid point 9 (6/96) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.314 ( 0.000 16.572 0.000) 16.572 0.432 ( 0.000 23.911 0.000) 23.911 0.732 ( 0.000 36.939 0.000) 36.939 0.755 ( 0.000 -4.545 0.000) 4.545 1.236 ( 0.000 -18.617 0.000) 18.617 1.594 ( 0.000 -2.188 0.000) 2.188 1.819 ( 0.000 1.782 0.000) 1.782 1.874 ( 0.000 -1.268 0.000) 1.268 1.889 ( 0.000 -0.638 0.000) 0.638 1.902 ( 0.000 -0.539 0.000) 0.539 1.955 ( 0.000 -0.440 0.000) 0.440 2.011 ( 0.000 -2.648 0.000) 2.648 2.099 ( 0.000 3.213 0.000) 3.213 2.103 ( 0.000 -1.265 0.000) 1.265 2.257 ( 0.000 -2.542 0.000) 2.542 2.263 ( 0.000 -3.367 0.000) 3.367 2.443 ( 0.000 -2.033 0.000) 2.033 2.493 ( 0.000 3.137 0.000) 3.137 2.595 ( 0.000 6.093 0.000) 6.093 2.708 ( 0.000 -0.103 0.000) 0.103 2.726 ( 0.000 -1.519 0.000) 1.519 2.798 ( 0.000 -3.566 0.000) 3.566 2.819 ( 0.000 1.239 0.000) 1.239 2.854 ( 0.000 2.556 0.000) 2.556 2.960 ( 0.000 -7.652 0.000) 7.652 3.075 ( 0.000 -7.627 0.000) 7.627 3.183 ( 0.000 -0.636 0.000) 0.636 3.328 ( 0.000 6.391 0.000) 6.391 3.367 ( 0.000 5.121 0.000) 5.121 3.529 ( 0.000 0.698 0.000) 0.698 3.541 ( 0.000 -11.962 0.000) 11.962 3.691 ( 0.000 5.698 0.000) 5.698 3.807 ( 0.000 -10.634 0.000) 10.634 3.826 ( 0.000 4.333 0.000) 4.333 4.098 ( 0.000 -0.307 0.000) 0.307 4.104 ( 0.000 -3.811 0.000) 3.811 4.193 ( 0.000 3.779 0.000) 3.779 4.224 ( 0.000 0.647 0.000) 0.647 4.356 ( 0.000 13.196 0.000) 13.196 4.492 ( 0.000 4.683 0.000) 4.683 4.671 ( 0.000 2.003 0.000) 2.003 4.727 ( 0.000 1.192 0.000) 1.192 4.818 ( 0.000 -4.461 0.000) 4.461 4.838 ( 0.000 -0.311 0.000) 0.311 4.947 ( 0.000 -7.156 0.000) 7.156 4.977 ( 0.000 -10.990 0.000) 10.990 5.470 ( 0.000 8.406 0.000) 8.406 5.575 ( 0.000 6.496 0.000) 6.496 5.739 ( 0.000 -1.971 0.000) 1.971 5.830 ( 0.000 -2.345 0.000) 2.345 6.017 ( 0.000 2.942 0.000) 2.942 6.112 ( 0.000 -1.778 0.000) 1.778 6.287 ( 0.000 3.361 0.000) 3.361 6.293 ( 0.000 3.252 0.000) 3.252 6.518 ( 0.000 -5.443 0.000) 5.443 6.536 ( 0.000 -7.748 0.000) 7.748 6.920 ( 0.000 0.502 0.000) 0.502 6.958 ( 0.000 -1.126 0.000) 1.126 7.058 ( 0.000 7.227 0.000) 7.227 7.274 ( 0.000 -2.611 0.000) 2.611 7.334 ( 0.000 4.797 0.000) 4.797 7.381 ( 0.000 -0.231 0.000) 0.231 7.760 ( 0.000 5.868 0.000) 5.868 7.854 ( 0.000 -0.271 0.000) 0.271 7.885 ( 0.000 0.149 0.000) 0.149 7.943 ( 0.000 2.325 0.000) 2.325 8.096 ( 0.000 6.434 0.000) 6.434 8.163 ( 0.000 1.120 0.000) 1.120 8.356 ( 0.000 1.710 0.000) 1.710 8.407 ( 0.000 -6.251 0.000) 6.251 8.740 ( 0.000 -8.804 0.000) 8.804 8.750 ( 0.000 -4.155 0.000) 4.155 9.088 ( 0.000 1.846 0.000) 1.846 9.110 ( 0.000 6.679 0.000) 6.679 9.217 ( 0.000 -1.934 0.000) 1.934 9.256 ( 0.000 6.036 0.000) 6.036 9.781 ( 0.000 0.502 0.000) 0.502 9.806 ( 0.000 0.967 0.000) 0.967 9.845 ( 0.000 -1.939 0.000) 1.939 9.890 ( 0.000 -5.394 0.000) 5.394 9.970 ( 0.000 -1.994 0.000) 1.994 9.999 ( 0.000 -7.926 0.000) 7.926 10.256 ( 0.000 2.031 0.000) 2.031 10.327 ( 0.000 3.827 0.000) 3.827 10.381 ( 0.000 -4.032 0.000) 4.032 10.424 ( 0.000 0.002 0.000) 0.002 10.901 ( 0.000 -0.992 0.000) 0.992 10.920 ( 0.000 -1.715 0.000) 1.715 11.753 ( 0.000 4.796 0.000) 4.796 11.840 ( 0.000 0.458 0.000) 0.458 12.066 ( 0.000 -2.538 0.000) 2.538 12.138 ( 0.000 -5.694 0.000) 5.694 12.235 ( 0.000 3.169 0.000) 3.169 12.333 ( 0.000 -0.534 0.000) 0.534 12.643 ( 0.000 0.357 0.000) 0.357 12.666 ( 0.000 -0.087 0.000) 0.087 12.864 ( 0.000 1.219 0.000) 1.219 12.965 ( 0.000 -5.547 0.000) 5.547 13.392 ( 0.000 16.623 0.000) 16.623 13.437 ( 0.000 3.438 0.000) 3.438 13.676 ( 0.000 -9.027 0.000) 9.027 13.869 ( 0.000 -6.026 0.000) 6.026 14.676 ( 0.000 10.268 0.000) 10.268 15.028 ( 0.000 -5.941 0.000) 5.941 15.909 ( 0.000 1.718 0.000) 1.718 15.996 ( 0.000 -2.083 0.000) 2.083 16.942 ( 0.000 1.505 0.000) 1.505 17.011 ( 0.000 -1.503 0.000) 1.503 ======================= Grid point 10 (7/96) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( 16.090 9.252 2.155) 18.685 0.520 ( 14.382 12.142 3.513) 19.147 0.823 ( 6.943 -5.420 0.598) 8.829 1.114 ( 26.012 22.629 7.405) 35.264 1.217 ( 1.068 -16.177 -0.068) 16.212 1.604 ( 0.402 1.283 -0.983) 1.666 1.808 ( -2.582 -0.210 -0.564) 2.651 1.815 ( -1.764 0.336 0.054) 1.797 1.894 ( -0.130 1.534 0.843) 1.755 1.934 ( -0.466 -0.574 0.849) 1.126 1.951 ( 1.284 -1.206 0.228) 1.776 2.025 ( 1.513 -0.001 -1.611) 2.210 2.046 ( -3.387 5.134 1.678) 6.376 2.142 ( 1.631 0.622 4.033) 4.394 2.261 ( -0.294 0.111 1.891) 1.917 2.301 ( 2.533 -5.097 0.043) 5.692 2.424 ( -0.342 -0.204 -1.529) 1.580 2.467 ( -2.527 2.854 -0.166) 3.815 2.621 ( 1.837 -3.153 3.014) 4.733 2.701 ( 0.094 -1.333 -0.629) 1.477 2.715 ( -2.578 -1.338 -0.999) 3.072 2.783 ( -2.980 -3.720 -2.250) 5.271 2.792 ( -3.273 -2.067 0.762) 3.945 2.869 ( 1.357 1.954 5.124) 5.650 2.943 ( -0.650 -9.052 3.368) 9.680 3.075 ( -2.400 -6.346 3.369) 7.575 3.121 ( -3.493 0.156 -5.859) 6.823 3.223 ( -4.018 -2.828 -5.408) 7.307 3.350 ( -0.710 5.575 -1.796) 5.900 3.428 ( 1.212 4.944 0.260) 5.097 3.574 ( -6.623 -3.221 -2.089) 7.655 3.705 ( 1.197 5.850 2.164) 6.351 3.725 ( -6.273 -4.305 4.750) 8.970 3.775 ( -3.640 -2.942 -5.657) 7.342 4.048 ( -3.085 2.586 -2.072) 4.527 4.104 ( -2.589 -0.213 -2.529) 3.626 4.236 ( 6.587 0.012 -0.628) 6.617 4.274 ( 2.688 -0.635 -1.466) 3.127 4.357 ( 1.658 11.157 1.675) 11.403 4.506 ( 0.422 4.529 -2.989) 5.443 4.674 ( -1.177 -1.495 2.524) 3.161 4.709 ( 1.306 -2.257 4.557) 5.251 4.804 ( 8.059 3.129 7.061) 11.162 4.897 ( 4.159 2.346 2.776) 5.524 5.101 ( 6.055 -5.813 10.537) 13.471 5.183 ( -4.224 -8.507 34.655) 35.933 5.472 ( 0.130 4.799 -0.186) 4.805 5.573 ( -1.177 6.206 3.482) 7.213 5.730 ( -6.965 -2.807 3.536) 8.300 5.855 ( 2.017 -3.745 -1.401) 4.478 6.003 ( 1.164 4.997 -1.382) 5.313 6.107 ( 2.978 1.398 0.804) 3.387 6.360 ( 7.991 4.664 -1.848) 9.435 6.509 ( 1.572 -1.947 -0.478) 2.548 6.663 ( 17.684 -3.004 -8.912) 20.029 6.750 ( 6.781 -1.715 -11.080) 13.103 6.975 ( 4.826 0.392 0.343) 4.854 7.080 ( 3.303 7.016 -0.299) 7.760 7.222 ( 2.812 -6.570 -6.839) 9.892 7.309 ( -1.266 3.952 -1.876) 4.554 7.375 ( 1.096 1.351 -0.550) 1.824 7.483 ( 24.118 -19.203 -15.122) 34.338 7.713 ( -1.539 4.669 -3.674) 6.138 7.851 ( -0.368 -0.466 -1.945) 2.034 7.954 ( 4.975 1.691 9.153) 10.554 8.093 ( 1.219 6.082 4.109) 7.440 8.120 ( 3.640 7.765 1.799) 8.762 8.183 ( 1.793 -1.937 6.756) 7.254 8.327 ( -0.721 -8.568 -1.218) 8.684 8.439 ( 4.084 -6.506 -4.849) 9.084 8.727 ( -0.154 -2.805 4.476) 5.284 8.877 ( 6.806 -7.503 6.698) 12.144 8.996 ( -1.660 7.526 3.080) 8.299 9.095 ( 0.789 1.254 -1.134) 1.865 9.350 ( 10.989 0.095 0.819) 11.020 9.574 ( 1.578 -7.839 4.928) 9.392 9.700 ( -8.541 0.735 -2.408) 8.904 9.745 ( -1.722 -1.031 -1.393) 2.443 9.897 ( -0.189 -1.923 7.268) 7.520 9.960 ( 1.265 -9.207 2.539) 9.635 9.997 ( 0.303 -7.405 7.665) 10.662 10.011 ( 6.417 -12.267 -3.647) 14.316 10.203 ( -4.577 1.692 -0.669) 4.925 10.332 ( -5.123 -4.513 4.385) 8.115 10.458 ( 1.562 2.317 -0.402) 2.823 10.518 ( 12.637 -6.340 7.732) 16.114 10.874 ( -1.440 -0.733 -3.817) 4.145 11.072 ( 20.517 -26.892 0.027) 33.825 11.777 ( 3.138 1.758 -1.337) 3.837 11.845 ( 0.719 -0.541 -1.287) 1.571 12.088 ( 2.675 -1.401 1.633) 3.433 12.203 ( 4.252 -3.877 1.764) 6.019 12.216 ( -1.608 1.532 -1.427) 2.640 12.310 ( -2.012 -1.102 -0.686) 2.394 12.634 ( -0.081 2.518 1.095) 2.747 12.674 ( 0.207 -0.235 0.267) 0.411 12.885 ( 1.392 -0.500 0.642) 1.612 12.961 ( -0.501 -5.662 0.216) 5.688 13.386 ( -0.555 16.170 -0.016) 16.179 13.449 ( 1.193 4.097 -0.033) 4.267 13.660 ( -1.812 -5.257 -1.020) 5.653 13.840 ( -2.458 -1.442 -0.156) 2.854 14.445 ( -14.448 22.315 -5.165) 27.081 14.945 ( -7.103 -7.102 -3.506) 10.639 15.954 ( 3.089 1.736 2.325) 4.238 16.000 ( 0.075 2.369 0.607) 2.447 16.536 ( -19.975 19.739 -3.584) 28.310 16.893 ( -10.577 -3.653 -3.337) 11.678 ======================= Grid point 11 (8/96) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 16.785 3.908 2.785) 17.458 0.883 ( 19.763 3.550 4.248) 20.524 0.992 ( 10.311 -3.002 0.518) 10.751 1.287 ( 8.716 -14.476 1.300) 16.947 1.592 ( 8.124 6.778 1.576) 10.697 1.648 ( 12.231 5.414 3.781) 13.900 1.747 ( -3.183 0.511 -1.055) 3.393 1.779 ( -1.914 0.332 1.154) 2.259 1.908 ( 0.522 2.898 -0.112) 2.947 1.925 ( 0.745 1.446 1.278) 2.068 1.987 ( 1.311 -0.848 0.756) 1.735 2.024 ( 1.276 2.856 -0.188) 3.134 2.040 ( 1.185 4.100 0.919) 4.365 2.191 ( 0.789 0.513 3.200) 3.335 2.252 ( -1.742 2.506 2.033) 3.667 2.321 ( -3.185 -2.682 -0.834) 4.247 2.386 ( -1.472 1.004 1.307) 2.210 2.467 ( 2.929 -2.521 -0.323) 3.878 2.561 ( -7.246 -5.544 -3.080) 9.629 2.622 ( -4.530 -3.128 0.943) 5.585 2.688 ( -2.265 -0.493 -3.295) 4.029 2.729 ( -1.290 -1.517 2.965) 3.571 2.761 ( -1.490 0.981 1.661) 2.438 2.928 ( 1.154 1.513 6.945) 7.201 2.972 ( -1.996 -1.532 -0.560) 2.578 3.031 ( -1.641 -1.887 -3.486) 4.290 3.057 ( 0.058 -3.219 -1.288) 3.467 3.196 ( -2.239 -7.109 3.242) 8.128 3.291 ( -4.970 -2.552 0.522) 5.611 3.373 ( -7.015 -2.656 -0.492) 7.517 3.441 ( -0.673 4.672 -1.549) 4.968 3.608 ( -7.105 5.281 1.874) 9.049 3.737 ( 2.149 -9.341 4.558) 10.614 3.772 ( 3.765 0.194 -4.147) 5.605 3.974 ( -3.888 2.622 0.389) 4.706 4.057 ( 0.154 0.064 -2.990) 2.995 4.292 ( 1.957 1.612 -2.369) 3.469 4.348 ( 5.064 -0.558 -1.270) 5.250 4.455 ( 5.265 12.031 4.757) 13.968 4.512 ( 1.320 2.575 -3.579) 4.603 4.619 ( -3.585 -1.989 0.152) 4.103 4.813 ( 4.208 -2.850 6.259) 8.063 4.914 ( 0.283 2.649 -1.988) 3.324 4.994 ( 3.586 0.614 -0.681) 3.701 5.237 ( 2.173 -1.897 15.691) 15.954 5.290 ( -0.629 -4.603 17.973) 18.564 5.452 ( -2.577 1.609 -1.439) 3.362 5.558 ( -2.166 0.115 1.623) 2.709 5.662 ( 0.003 1.263 6.130) 6.259 5.850 ( -0.226 -4.401 -1.803) 4.761 6.023 ( 1.368 4.934 -1.611) 5.368 6.171 ( 2.677 -2.336 2.916) 4.596 6.509 ( 7.026 2.922 -2.622) 8.048 6.543 ( 3.772 0.771 -1.501) 4.132 6.721 ( 0.010 1.684 -3.145) 3.567 6.864 ( 1.815 -4.159 0.233) 4.543 7.055 ( 1.223 2.433 -1.764) 3.245 7.162 ( -3.000 -2.682 -6.062) 7.276 7.262 ( 1.473 2.894 -2.923) 4.369 7.353 ( 9.719 3.531 -3.552) 10.934 7.387 ( 12.535 8.423 -1.851) 15.215 7.593 ( 0.124 2.043 -5.081) 5.478 7.765 ( 4.915 -4.429 -3.746) 7.603 7.848 ( 4.205 2.062 -4.383) 6.414 8.037 ( 0.394 2.774 1.336) 3.104 8.115 ( 0.529 2.183 4.308) 4.859 8.172 ( 0.615 2.353 0.653) 2.518 8.243 ( 0.634 4.094 9.319) 10.199 8.367 ( 4.175 0.892 2.013) 4.720 8.501 ( 4.791 -7.967 -1.319) 9.390 8.763 ( -0.207 -1.227 7.718) 7.817 8.917 ( -3.616 2.886 6.213) 7.746 9.104 ( 5.077 2.242 -0.420) 5.566 9.191 ( 11.948 -2.246 1.494) 12.248 9.469 ( -8.098 -1.098 -2.102) 8.438 9.473 ( -5.195 3.974 -3.137) 7.254 9.563 ( 2.014 -3.029 -0.922) 3.752 9.732 ( 1.232 -1.633 1.010) 2.281 9.902 ( -1.436 -0.516 2.715) 3.114 9.961 ( -0.215 -3.027 -0.088) 3.036 10.017 ( -2.759 -10.190 3.714) 11.192 10.075 ( -0.926 -5.400 7.230) 9.071 10.142 ( -1.601 0.074 2.524) 2.989 10.246 ( -5.945 -3.254 4.630) 8.208 10.433 ( -3.049 5.615 -0.333) 6.399 10.674 ( 3.525 -4.892 -1.144) 6.137 10.845 ( 3.175 4.353 -3.328) 6.333 11.472 ( 15.462 -34.510 1.712) 37.855 11.836 ( 1.882 -1.338 -0.618) 2.391 11.882 ( 6.151 -7.814 -1.705) 10.090 12.107 ( -4.277 3.637 -1.437) 5.796 12.164 ( -1.113 -0.615 -0.168) 1.283 12.263 ( -0.505 -1.726 -1.423) 2.293 12.302 ( 2.698 -4.652 2.346) 5.867 12.652 ( 0.708 3.498 0.993) 3.704 12.689 ( 1.701 -0.851 1.260) 2.281 12.899 ( -0.483 -1.977 0.247) 2.050 12.949 ( -0.862 -6.234 0.294) 6.300 13.377 ( -0.217 15.473 -0.010) 15.474 13.468 ( 0.574 7.827 -0.199) 7.850 13.599 ( -3.317 3.877 -0.986) 5.197 13.814 ( 0.046 -0.743 -0.036) 0.746 14.248 ( -5.404 13.323 -1.771) 14.486 14.771 ( -8.494 -8.529 -3.938) 12.665 15.958 ( -2.292 8.881 -0.490) 9.185 16.056 ( 3.681 0.575 3.271) 4.958 16.323 ( -4.799 6.241 -0.167) 7.874 16.645 ( -12.467 -5.700 -4.097) 14.308 ======================= Grid point 12 (9/96) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 14.424 1.293 2.084) 14.631 1.192 ( 10.701 -0.905 0.415) 10.747 1.257 ( 17.860 4.066 3.815) 18.710 1.500 ( 11.986 -5.972 1.644) 13.492 1.653 ( -4.385 0.634 1.010) 4.545 1.687 ( -4.745 -0.840 1.520) 5.053 1.763 ( 10.286 0.753 2.387) 10.586 1.841 ( 3.523 -2.163 -0.223) 4.140 1.919 ( 0.597 2.509 0.311) 2.597 1.974 ( 2.674 0.979 1.152) 3.072 1.999 ( -0.150 -0.613 0.631) 0.892 2.032 ( 0.977 2.732 -0.381) 2.926 2.086 ( -1.142 -2.851 -0.783) 3.170 2.169 ( -7.865 4.168 -0.509) 8.916 2.214 ( -0.547 -0.133 0.663) 0.870 2.219 ( -3.096 1.320 2.128) 3.982 2.375 ( -4.649 2.539 -0.867) 5.368 2.471 ( -2.257 -3.261 -3.162) 5.072 2.521 ( 1.855 -1.146 0.094) 2.183 2.568 ( 0.075 -2.905 0.157) 2.910 2.605 ( -4.889 1.503 1.095) 5.230 2.721 ( -3.214 1.662 0.653) 3.676 2.759 ( 0.132 0.837 6.260) 6.317 2.865 ( -6.551 -2.463 -3.663) 7.900 2.903 ( -9.199 1.084 -4.541) 10.316 2.975 ( 0.894 0.449 -3.427) 3.570 3.073 ( 4.092 -0.703 3.444) 5.394 3.147 ( -2.304 -5.294 2.938) 6.478 3.212 ( -4.283 -3.348 0.224) 5.441 3.319 ( 1.149 -1.433 3.580) 4.023 3.513 ( -3.135 5.197 4.710) 7.683 3.541 ( 8.586 0.316 0.061) 8.592 3.814 ( 4.136 -3.041 -4.438) 6.786 3.866 ( 4.536 -4.940 6.874) 9.604 3.939 ( 2.238 -0.631 2.066) 3.111 4.074 ( 2.297 -3.237 -1.758) 4.341 4.294 ( -2.449 1.895 -1.388) 3.393 4.383 ( -1.013 -1.813 -1.435) 2.524 4.491 ( -1.179 3.854 -2.899) 4.965 4.521 ( -1.069 1.829 0.836) 2.278 4.615 ( 1.577 8.503 3.059) 9.173 4.826 ( -3.638 0.053 -3.152) 4.814 4.893 ( -1.553 -0.048 -0.259) 1.575 4.995 ( 0.453 -3.391 -1.827) 3.878 5.272 ( -6.347 2.825 1.844) 7.187 5.342 ( 0.645 -1.021 6.651) 6.760 5.429 ( 2.877 1.685 3.075) 4.536 5.612 ( 4.217 -2.126 4.156) 6.291 5.721 ( 0.565 -2.111 5.077) 5.527 5.856 ( 1.905 -2.588 -0.013) 3.214 6.043 ( 1.336 5.241 2.044) 5.782 6.258 ( 4.269 -5.940 6.322) 9.668 6.564 ( 2.966 1.768 -2.782) 4.435 6.621 ( 3.270 1.236 -1.810) 3.937 6.724 ( 1.423 2.992 -1.065) 3.480 6.844 ( -3.972 -2.620 2.889) 5.567 7.017 ( -4.031 -0.702 -6.207) 7.434 7.039 ( -4.192 -1.395 -7.064) 8.332 7.243 ( 0.262 2.341 -5.065) 5.586 7.337 ( -2.510 1.456 1.884) 3.459 7.587 ( 1.185 2.930 -0.955) 3.302 7.741 ( 9.755 7.246 -3.954) 12.779 7.777 ( 5.556 -3.660 -0.389) 6.664 7.967 ( 8.345 5.874 -5.003) 11.366 8.063 ( 2.796 4.324 1.268) 5.303 8.118 ( -2.075 -2.949 1.162) 3.788 8.208 ( 2.150 3.441 5.025) 6.459 8.270 ( -1.440 -1.496 4.664) 5.105 8.470 ( 4.658 5.787 2.499) 7.838 8.593 ( 4.631 -6.329 0.478) 7.857 8.779 ( -1.799 -1.381 4.837) 5.343 8.869 ( -4.667 5.122 4.871) 8.470 9.197 ( 5.543 5.602 -1.633) 8.048 9.263 ( -6.446 6.061 0.075) 8.848 9.336 ( -3.088 2.156 -4.122) 5.583 9.469 ( 7.921 -5.664 1.613) 9.870 9.600 ( 1.536 -3.944 -2.648) 4.993 9.771 ( -0.959 -6.497 2.584) 7.057 9.886 ( -1.998 -0.897 3.908) 4.480 9.957 ( 0.504 -1.990 -3.272) 3.862 9.967 ( 0.753 -0.385 -2.785) 2.911 10.077 ( -4.179 3.053 9.874) 11.148 10.156 ( 0.259 -8.507 6.020) 10.424 10.171 ( -5.731 -1.376 6.561) 8.820 10.396 ( -0.034 2.701 -0.373) 2.726 10.650 ( -1.637 -6.735 -6.090) 9.227 11.007 ( 12.066 9.628 2.460) 15.632 11.646 ( 3.962 -18.794 -2.620) 19.385 11.857 ( 1.211 -1.836 -0.473) 2.249 11.981 ( -1.929 -0.190 -1.446) 2.418 12.025 ( 4.354 -5.337 -0.962) 6.955 12.132 ( -2.297 -0.111 1.333) 2.658 12.219 ( -3.005 -0.474 -2.125) 3.711 12.341 ( -0.284 -7.657 0.630) 7.688 12.675 ( 1.445 2.890 1.130) 3.423 12.741 ( 2.318 -1.953 1.483) 3.374 12.870 ( -2.231 -1.659 -0.502) 2.826 12.934 ( -0.850 -7.451 0.059) 7.499 13.385 ( 1.123 14.592 -0.089) 14.636 13.466 ( -0.755 13.400 0.574) 13.434 13.549 ( -1.558 3.016 -0.925) 3.518 13.828 ( 1.111 -2.526 -0.061) 2.760 14.179 ( -2.180 6.275 -0.383) 6.654 14.615 ( -6.015 -8.809 -2.574) 10.973 15.911 ( -1.962 8.955 -0.642) 9.190 16.128 ( 1.948 -1.577 2.603) 3.614 16.280 ( -0.809 1.225 -0.009) 1.468 16.428 ( -8.157 -4.446 -2.755) 9.690 ======================= Grid point 13 (10/96) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 9.471 0.119 0.309) 9.477 1.386 ( 10.381 0.061 0.689) 10.404 1.536 ( -4.059 1.319 -0.924) 4.367 1.577 ( -6.810 -0.729 0.531) 6.870 1.581 ( 10.518 3.424 4.070) 11.786 1.726 ( 9.300 -2.058 1.355) 9.621 1.804 ( -6.703 3.413 -1.673) 7.706 1.944 ( -0.312 -1.298 0.592) 1.461 1.973 ( 3.279 0.194 1.177) 3.489 1.993 ( -1.032 -0.434 1.416) 1.805 2.000 ( 0.742 1.700 0.356) 1.889 2.043 ( 2.841 -0.616 -0.437) 2.939 2.062 ( -0.196 2.714 -0.203) 2.729 2.119 ( 4.146 -2.711 0.541) 4.983 2.158 ( -3.913 -0.453 0.672) 3.996 2.210 ( 0.839 -0.606 0.184) 1.052 2.262 ( -4.091 3.654 -1.501) 5.687 2.417 ( -2.213 -3.902 -2.543) 5.157 2.441 ( -4.371 -0.171 -0.233) 4.381 2.549 ( -4.697 -0.899 -1.068) 4.900 2.580 ( -1.000 0.580 1.258) 1.708 2.619 ( -5.569 -1.686 0.444) 5.836 2.701 ( -3.148 4.183 -2.181) 5.671 2.786 ( -0.023 -0.763 -1.495) 1.679 2.858 ( 1.956 -2.738 5.580) 6.516 2.931 ( -3.174 -0.151 -2.600) 4.105 3.055 ( 0.330 -8.996 -2.186) 9.263 3.094 ( -3.337 -6.731 -1.348) 7.632 3.331 ( 1.612 4.350 1.598) 4.907 3.372 ( 2.751 2.014 3.351) 4.780 3.575 ( 10.468 9.617 3.739) 14.699 3.706 ( 5.213 1.226 2.340) 5.844 3.864 ( 2.277 0.258 -1.438) 2.705 3.884 ( -0.612 0.822 0.602) 1.188 4.094 ( 1.017 -3.855 4.590) 6.080 4.134 ( 8.697 -11.785 0.037) 14.647 4.147 ( -9.300 2.763 -2.715) 10.075 4.306 ( -5.541 -4.380 -1.274) 7.177 4.445 ( -1.809 3.953 -0.056) 4.348 4.497 ( -2.839 2.142 -2.728) 4.482 4.613 ( 2.341 0.451 3.096) 3.907 4.741 ( -6.022 -4.943 -6.964) 10.450 4.876 ( 2.422 4.682 2.227) 5.722 5.023 ( 1.031 -2.344 0.995) 2.747 5.174 ( -3.223 10.265 -1.399) 10.850 5.360 ( 0.018 0.558 0.802) 0.977 5.508 ( 2.246 0.725 2.150) 3.193 5.680 ( 0.983 -7.018 0.406) 7.098 5.730 ( -0.159 2.527 1.198) 2.801 5.895 ( 1.156 -2.023 0.361) 2.357 6.103 ( 2.106 3.551 3.948) 5.712 6.369 ( 2.930 -9.794 4.190) 11.049 6.618 ( 4.095 3.627 0.435) 5.488 6.660 ( 1.502 2.222 0.051) 2.682 6.722 ( -1.208 1.964 -2.559) 3.445 6.782 ( -3.259 -0.992 4.586) 5.713 6.857 ( -5.225 -0.168 -9.609) 10.939 6.970 ( -1.431 -2.030 -2.265) 3.361 7.230 ( 0.702 3.121 -2.752) 4.219 7.304 ( -1.769 -1.019 1.669) 2.637 7.604 ( 0.635 4.300 -0.194) 4.351 7.760 ( 0.443 1.117 -0.146) 1.211 7.915 ( 3.950 -4.021 -0.436) 5.653 8.044 ( 0.648 -0.324 -3.946) 4.012 8.087 ( 0.956 7.610 0.998) 7.734 8.149 ( 3.257 2.538 1.949) 4.566 8.209 ( -3.124 3.001 2.547) 5.025 8.326 ( 3.350 1.154 1.257) 3.759 8.546 ( 2.459 2.402 0.320) 3.453 8.658 ( 1.986 -7.101 0.558) 7.394 8.770 ( -0.581 1.278 1.125) 1.799 8.803 ( -3.813 4.590 1.980) 6.287 9.159 ( -2.650 8.296 -0.435) 8.720 9.273 ( 1.114 3.334 0.155) 3.518 9.326 ( 3.352 0.700 -2.666) 4.340 9.565 ( -3.111 -0.659 0.499) 3.219 9.592 ( 4.157 -0.580 0.623) 4.243 9.710 ( -4.316 -8.309 0.509) 9.377 9.898 ( 1.165 0.466 2.646) 2.929 9.955 ( -1.102 0.263 -2.212) 2.485 9.980 ( 2.068 -0.785 -2.411) 3.272 10.074 ( -0.758 3.591 -2.605) 4.501 10.111 ( -2.007 -0.918 8.182) 8.474 10.202 ( 0.397 -11.871 4.393) 12.664 10.415 ( 0.896 0.521 1.619) 1.922 10.592 ( -1.065 -5.247 -3.875) 6.610 11.242 ( 9.434 5.676 3.387) 11.519 11.591 ( -5.317 -3.647 -3.997) 7.586 11.888 ( 1.428 -5.176 0.864) 5.439 11.950 ( 0.374 3.162 -2.185) 3.862 12.066 ( 0.327 -0.620 -0.069) 0.705 12.144 ( -3.385 -0.321 -1.018) 3.549 12.169 ( 3.557 -4.494 2.806) 6.382 12.305 ( -2.528 -11.964 -1.424) 12.311 12.716 ( 1.964 3.552 0.999) 4.180 12.769 ( -0.313 -4.174 0.496) 4.215 12.830 ( -1.013 -0.682 -0.585) 1.354 12.921 ( -0.430 -8.705 -0.107) 8.717 13.410 ( 1.237 14.767 -0.318) 14.822 13.453 ( -0.891 13.434 0.990) 13.500 13.525 ( -0.529 2.738 -0.777) 2.895 13.845 ( 0.546 -3.479 -0.031) 3.522 14.152 ( -0.695 4.184 -0.044) 4.241 14.529 ( -2.137 -8.363 -0.839) 8.673 15.885 ( -0.592 7.421 -0.230) 7.448 16.152 ( -0.067 -4.442 0.740) 4.503 16.274 ( -0.011 0.756 -0.068) 0.759 16.324 ( -2.217 -1.451 -0.700) 2.740 ======================= Grid point 18 (11/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 0.000 -12.570 0.000) 12.570 0.579 ( 0.000 12.570 0.000) 12.570 0.852 ( 0.000 -22.647 0.000) 22.647 0.852 ( 0.000 22.647 0.000) 22.647 1.356 ( 0.000 -26.796 0.000) 26.796 1.356 ( 0.000 26.796 0.000) 26.796 1.849 ( 0.000 -1.507 0.000) 1.507 1.849 ( 0.000 1.507 0.000) 1.507 1.881 ( 0.000 -0.466 0.000) 0.466 1.881 ( 0.000 0.466 0.000) 0.466 1.961 ( 0.000 -1.366 0.000) 1.366 1.961 ( 0.000 1.366 0.000) 1.366 2.087 ( 0.000 -1.587 0.000) 1.587 2.087 ( 0.000 1.587 0.000) 1.587 2.231 ( 0.000 -0.715 0.000) 0.715 2.231 ( 0.000 0.715 0.000) 0.715 2.499 ( 0.000 -3.783 0.000) 3.783 2.499 ( 0.000 3.783 0.000) 3.783 2.700 ( 0.000 -2.312 0.000) 2.312 2.700 ( 0.000 2.312 0.000) 2.312 2.724 ( 0.000 -3.586 0.000) 3.586 2.724 ( 0.000 3.586 0.000) 3.586 2.852 ( 0.000 -3.830 0.000) 3.830 2.852 ( 0.000 3.830 0.000) 3.830 2.938 ( 0.000 -6.819 0.000) 6.819 2.938 ( 0.000 6.819 0.000) 6.819 3.281 ( 0.000 -10.330 0.000) 10.330 3.281 ( 0.000 10.330 0.000) 10.330 3.431 ( 0.000 -0.331 0.000) 0.331 3.431 ( 0.000 0.331 0.000) 0.331 3.575 ( 0.000 -6.975 0.000) 6.975 3.575 ( 0.000 6.975 0.000) 6.975 3.857 ( 0.000 -3.507 0.000) 3.507 3.857 ( 0.000 3.507 0.000) 3.507 4.058 ( 0.000 -0.835 0.000) 0.835 4.058 ( 0.000 0.835 0.000) 0.835 4.230 ( 0.000 -0.339 0.000) 0.339 4.230 ( 0.000 0.339 0.000) 0.339 4.577 ( 0.000 -1.812 0.000) 1.812 4.577 ( 0.000 1.812 0.000) 1.812 4.674 ( 0.000 -5.787 0.000) 5.787 4.674 ( 0.000 5.787 0.000) 5.787 4.794 ( 0.000 -6.208 0.000) 6.208 4.794 ( 0.000 6.208 0.000) 6.208 4.865 ( 0.000 -1.250 0.000) 1.250 4.865 ( 0.000 1.250 0.000) 1.250 5.600 ( 0.000 -4.941 0.000) 4.941 5.600 ( 0.000 4.941 0.000) 4.941 5.760 ( 0.000 -4.774 0.000) 4.774 5.760 ( 0.000 4.774 0.000) 4.774 6.071 ( 0.000 -2.766 0.000) 2.766 6.071 ( 0.000 2.766 0.000) 2.766 6.349 ( 0.000 -0.266 0.000) 0.266 6.349 ( 0.000 0.266 0.000) 0.266 6.435 ( 0.000 -0.204 0.000) 0.204 6.435 ( 0.000 0.204 0.000) 0.204 6.935 ( 0.000 -1.191 0.000) 1.191 6.935 ( 0.000 1.191 0.000) 1.191 7.181 ( 0.000 -6.391 0.000) 6.391 7.181 ( 0.000 6.391 0.000) 6.391 7.391 ( 0.000 -0.711 0.000) 0.711 7.391 ( 0.000 0.711 0.000) 0.711 7.843 ( 0.000 -1.875 0.000) 1.875 7.843 ( 0.000 1.875 0.000) 1.875 7.913 ( 0.000 -3.767 0.000) 3.767 7.913 ( 0.000 3.767 0.000) 3.767 8.250 ( 0.000 -9.197 0.000) 9.197 8.250 ( 0.000 9.197 0.000) 9.197 8.288 ( 0.000 -8.820 0.000) 8.820 8.288 ( 0.000 8.820 0.000) 8.820 8.676 ( 0.000 -2.457 0.000) 2.457 8.676 ( 0.000 2.457 0.000) 2.457 9.135 ( 0.000 -2.974 0.000) 2.974 9.135 ( 0.000 2.974 0.000) 2.974 9.275 ( 0.000 -5.001 0.000) 5.001 9.275 ( 0.000 5.001 0.000) 5.001 9.791 ( 0.000 -2.148 0.000) 2.148 9.791 ( 0.000 2.148 0.000) 2.148 9.826 ( 0.000 -1.720 0.000) 1.720 9.826 ( 0.000 1.720 0.000) 1.720 9.933 ( 0.000 -0.943 0.000) 0.943 9.933 ( 0.000 0.943 0.000) 0.943 10.308 ( 0.000 -3.708 0.000) 3.708 10.308 ( 0.000 3.708 0.000) 3.708 10.396 ( 0.000 -3.159 0.000) 3.159 10.396 ( 0.000 3.159 0.000) 3.159 10.896 ( 0.000 -0.610 0.000) 0.610 10.896 ( 0.000 0.610 0.000) 0.610 11.831 ( 0.000 -2.530 0.000) 2.530 11.831 ( 0.000 2.530 0.000) 2.530 12.052 ( 0.000 -2.278 0.000) 2.278 12.052 ( 0.000 2.278 0.000) 2.278 12.298 ( 0.000 -3.196 0.000) 3.196 12.298 ( 0.000 3.196 0.000) 3.196 12.656 ( 0.000 -0.892 0.000) 0.892 12.656 ( 0.000 0.892 0.000) 0.892 12.896 ( 0.000 -2.532 0.000) 2.532 12.896 ( 0.000 2.532 0.000) 2.532 13.528 ( 0.000 -6.890 0.000) 6.890 13.528 ( 0.000 6.890 0.000) 6.890 13.681 ( 0.000 -14.255 0.000) 14.255 13.681 ( 0.000 14.255 0.000) 14.255 14.876 ( 0.000 -10.658 0.000) 10.658 14.876 ( 0.000 10.658 0.000) 10.658 15.950 ( 0.000 -2.685 0.000) 2.685 15.950 ( 0.000 2.685 0.000) 2.685 16.976 ( 0.000 -2.126 0.000) 2.126 16.976 ( 0.000 2.126 0.000) 2.126 ======================= Grid point 20 (12/96) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 10.118 -9.414 1.171) 13.870 0.686 ( 10.118 9.414 1.171) 13.870 0.839 ( 3.060 -20.807 0.386) 21.034 0.839 ( 3.060 20.807 0.386) 21.034 1.523 ( 11.403 -14.547 3.356) 18.785 1.523 ( 11.403 14.547 3.356) 18.785 1.808 ( -2.154 -0.628 -0.388) 2.277 1.808 ( -2.154 0.628 -0.388) 2.277 1.918 ( 1.231 -1.221 1.586) 2.350 1.918 ( 1.231 1.221 1.586) 2.350 1.968 ( 2.774 -4.206 -1.932) 5.396 1.968 ( 2.774 4.206 -1.932) 5.396 2.124 ( 1.453 -3.454 2.652) 4.591 2.124 ( 1.453 3.454 2.652) 4.591 2.240 ( 1.287 -0.874 0.393) 1.605 2.240 ( 1.287 0.874 0.393) 1.605 2.474 ( -2.832 -3.102 1.348) 4.411 2.474 ( -2.832 3.102 1.348) 4.411 2.636 ( -6.774 -4.484 0.041) 8.124 2.636 ( -6.774 4.484 0.041) 8.124 2.720 ( -0.741 -2.183 -2.127) 3.136 2.720 ( -0.741 2.183 -2.127) 3.136 2.800 ( -1.925 -3.566 2.850) 4.954 2.800 ( -1.925 3.566 2.850) 4.954 2.962 ( 0.245 -5.713 4.635) 7.361 2.962 ( 0.245 5.713 4.635) 7.361 3.153 ( -3.459 -3.766 -7.121) 8.766 3.153 ( -3.459 3.766 -7.121) 8.766 3.501 ( -1.130 -7.906 -1.494) 8.124 3.501 ( -1.130 7.906 -1.494) 8.124 3.519 ( -2.471 -7.097 -0.146) 7.517 3.519 ( -2.471 7.097 -0.146) 7.517 3.795 ( -4.221 -1.453 0.308) 4.475 3.795 ( -4.221 1.453 0.308) 4.475 4.081 ( -1.175 -1.797 -1.580) 2.666 4.081 ( -1.175 1.797 -1.580) 2.666 4.249 ( 3.581 -1.597 -1.946) 4.377 4.249 ( 3.581 1.597 -1.946) 4.377 4.551 ( 0.141 -5.771 3.336) 6.667 4.551 ( 0.141 5.771 3.336) 6.667 4.636 ( -0.725 -0.448 -1.839) 2.027 4.636 ( -0.725 0.448 -1.839) 2.027 4.894 ( 7.642 -4.768 2.255) 9.285 4.894 ( 7.642 4.768 2.255) 9.285 5.055 ( 2.678 -3.855 25.972) 26.393 5.055 ( 2.678 3.855 25.972) 26.393 5.572 ( -2.835 -5.179 -0.927) 5.977 5.572 ( -2.835 5.179 -0.927) 5.977 5.769 ( -1.691 -5.666 3.044) 6.650 5.769 ( -1.691 5.666 3.044) 6.650 6.085 ( 1.136 -3.545 -0.167) 3.726 6.085 ( 1.136 3.545 -0.167) 3.726 6.458 ( 4.815 -4.733 0.136) 6.753 6.458 ( 4.815 4.733 0.136) 6.753 6.679 ( 19.140 -4.667 -14.464) 24.440 6.679 ( 19.140 4.667 -14.464) 24.440 7.047 ( 13.632 -8.492 -4.777) 16.756 7.047 ( 13.632 8.492 -4.777) 16.756 7.223 ( 8.414 -9.089 -0.011) 12.385 7.223 ( 8.414 9.089 -0.011) 12.385 7.375 ( -0.824 -2.036 -0.774) 2.329 7.375 ( -0.824 2.036 -0.774) 2.329 7.812 ( -1.459 -4.580 -2.333) 5.343 7.812 ( -1.459 4.580 -2.333) 5.343 8.028 ( 5.688 -7.320 9.933) 13.587 8.028 ( 5.688 7.320 9.933) 13.587 8.216 ( -2.013 -6.706 2.798) 7.540 8.216 ( -2.013 6.706 2.798) 7.540 8.324 ( 3.998 -9.260 -2.682) 10.437 8.324 ( 3.998 9.260 -2.682) 10.437 8.720 ( 2.797 -5.031 6.043) 8.346 8.720 ( 2.797 5.031 6.043) 8.346 9.093 ( -1.690 -2.590 2.293) 3.850 9.093 ( -1.690 2.590 2.293) 3.850 9.428 ( 9.330 -8.461 4.032) 13.224 9.428 ( 9.330 8.461 4.032) 13.224 9.742 ( -5.610 -2.205 0.182) 6.030 9.742 ( -5.610 2.205 0.182) 6.030 9.817 ( -0.165 -3.467 1.226) 3.681 9.817 ( -0.165 3.467 1.226) 3.681 9.946 ( 1.533 -2.100 -0.260) 2.613 9.946 ( 1.533 2.100 -0.260) 2.613 10.255 ( -4.674 -3.776 2.842) 6.647 10.255 ( -4.674 3.776 2.842) 6.647 10.484 ( 7.272 -0.670 -0.378) 7.313 10.484 ( 7.272 0.670 -0.378) 7.313 10.885 ( 0.902 -2.908 -1.910) 3.594 10.885 ( 0.902 2.908 -1.910) 3.594 11.819 ( 0.022 -2.312 -2.100) 3.124 11.819 ( 0.022 2.312 -2.100) 3.124 12.114 ( 4.676 -4.102 1.758) 6.464 12.114 ( 4.676 4.102 1.758) 6.464 12.271 ( -2.199 -3.044 -1.094) 3.911 12.271 ( -2.199 3.044 -1.094) 3.911 12.668 ( 0.899 -1.089 0.794) 1.620 12.668 ( 0.899 1.089 0.794) 1.620 12.894 ( -0.454 -1.976 0.361) 2.059 12.894 ( -0.454 1.976 0.361) 2.059 13.534 ( 0.610 -5.968 -0.266) 6.005 13.534 ( 0.610 5.968 -0.266) 6.005 13.682 ( -0.096 -13.408 0.645) 13.424 13.682 ( -0.096 13.408 0.645) 13.424 14.761 ( -9.618 -13.624 -3.974) 17.143 14.761 ( -9.618 13.624 -3.974) 17.143 15.989 ( 2.829 -1.982 2.030) 4.006 15.989 ( 2.829 1.982 2.030) 4.006 16.785 ( -15.434 -8.905 -4.131) 18.291 16.785 ( -15.434 8.905 -4.131) 18.291 ======================= Grid point 22 (13/96) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 13.204 -4.730 1.690) 14.127 0.919 ( 13.204 4.730 1.690) 14.127 1.031 ( 15.353 -12.431 3.026) 19.985 1.031 ( 15.353 12.431 3.026) 19.985 1.676 ( 3.830 -2.178 0.230) 4.412 1.676 ( 3.830 2.178 0.230) 4.412 1.770 ( -2.100 -1.516 0.753) 2.697 1.770 ( -2.100 1.516 0.753) 2.697 1.948 ( 0.643 -0.567 2.967) 3.089 1.948 ( 0.643 0.567 2.967) 3.089 2.014 ( 1.158 -4.197 -2.157) 4.858 2.014 ( 1.158 4.197 -2.157) 4.858 2.147 ( 0.728 -6.335 1.257) 6.499 2.147 ( 0.728 6.335 1.257) 6.499 2.290 ( 1.707 -3.229 1.460) 3.933 2.290 ( 1.707 3.229 1.460) 3.933 2.421 ( -1.932 -3.483 -0.740) 4.051 2.421 ( -1.932 3.483 -0.740) 4.051 2.528 ( -3.375 -4.955 0.747) 6.042 2.528 ( -3.375 4.955 0.747) 6.042 2.702 ( -0.760 -1.455 0.562) 1.735 2.702 ( -0.760 1.455 0.562) 1.735 2.837 ( 2.515 -7.963 3.108) 8.910 2.837 ( 2.515 7.963 3.108) 8.910 2.973 ( -0.602 -3.190 2.813) 4.296 2.973 ( -0.602 3.190 2.813) 4.296 3.092 ( -1.022 -4.290 -2.221) 4.937 3.092 ( -1.022 4.290 -2.221) 4.937 3.318 ( -12.015 -3.923 -2.138) 12.819 3.318 ( -12.015 3.923 -2.138) 12.819 3.543 ( 0.319 -7.039 3.762) 7.987 3.543 ( 0.319 7.039 3.762) 7.987 3.740 ( -0.513 -4.393 -2.765) 5.216 3.740 ( -0.513 4.393 -2.765) 5.216 4.022 ( -2.170 -2.904 -1.064) 3.778 4.022 ( -2.170 2.904 -1.064) 3.778 4.323 ( 3.975 -1.901 -1.697) 4.721 4.323 ( 3.975 1.901 -1.697) 4.721 4.568 ( -1.137 -3.350 -1.446) 3.822 4.568 ( -1.137 3.350 -1.446) 3.822 4.686 ( 5.311 -11.008 5.052) 13.225 4.686 ( 5.311 11.008 5.052) 13.225 4.978 ( 0.704 -3.153 -2.820) 4.288 4.978 ( 0.704 3.153 -2.820) 4.288 5.227 ( 2.515 -1.790 19.249) 19.495 5.227 ( 2.515 1.790 19.249) 19.495 5.500 ( -3.080 -3.867 -0.906) 5.026 5.500 ( -3.080 3.867 -0.906) 5.026 5.754 ( -0.702 -6.211 2.620) 6.777 5.754 ( -0.702 6.211 2.620) 6.777 6.108 ( 1.381 -4.386 0.203) 4.603 6.108 ( 1.381 4.386 0.203) 4.603 6.546 ( 4.628 -0.953 -1.616) 4.994 6.546 ( 4.628 0.953 -1.616) 4.994 6.780 ( 1.776 -4.653 -1.581) 5.226 6.780 ( 1.776 4.653 -1.581) 5.226 7.107 ( -0.898 -3.242 -5.178) 6.175 7.107 ( -0.898 3.242 -5.178) 6.175 7.328 ( -0.827 -3.760 -1.872) 4.281 7.328 ( -0.827 3.760 -1.872) 4.281 7.568 ( 16.482 -8.221 -5.838) 19.322 7.568 ( 16.482 8.221 -5.838) 19.322 7.798 ( 3.541 -7.514 -2.517) 8.679 7.798 ( 3.541 7.514 -2.517) 8.679 8.092 ( -0.403 -4.205 -0.110) 4.226 8.092 ( -0.403 4.205 -0.110) 4.226 8.228 ( -0.614 -3.880 4.932) 6.305 8.228 ( -0.614 3.880 4.932) 6.305 8.437 ( 6.640 -3.360 2.631) 7.893 8.437 ( 6.640 3.360 2.631) 7.893 8.817 ( 1.967 -9.864 8.306) 13.045 8.817 ( 1.967 9.864 8.306) 13.045 9.142 ( 6.125 -2.284 2.275) 6.921 9.142 ( 6.125 2.284 2.275) 6.921 9.493 ( -4.588 -3.949 -1.765) 6.305 9.493 ( -4.588 3.949 -1.765) 6.305 9.655 ( -2.571 -11.504 2.817) 12.120 9.655 ( -2.571 11.504 2.817) 12.120 9.841 ( 1.048 -0.644 3.318) 3.539 9.841 ( 1.048 0.644 3.318) 3.539 9.985 ( 2.146 -3.909 1.017) 4.574 9.985 ( 2.146 3.909 1.017) 4.574 10.186 ( -4.531 -3.289 3.663) 6.691 10.186 ( -4.531 3.289 3.663) 6.691 10.558 ( -0.460 -7.472 -1.587) 7.652 10.558 ( -0.460 7.472 -1.587) 7.652 11.006 ( 12.926 -15.423 0.879) 20.143 11.006 ( 12.926 15.423 0.879) 20.143 11.824 ( 2.006 -0.636 -2.484) 3.256 11.824 ( 2.006 0.636 -2.484) 3.256 12.165 ( -1.998 -2.152 0.601) 2.997 12.165 ( -1.998 2.152 0.601) 2.997 12.243 ( 1.247 -1.241 -1.148) 2.101 12.243 ( 1.247 1.241 -1.148) 2.101 12.693 ( 1.236 -0.934 0.920) 1.801 12.693 ( 1.236 0.934 0.920) 1.801 12.881 ( -1.256 -1.056 0.476) 1.708 12.881 ( -1.256 1.056 0.476) 1.708 13.542 ( 0.396 -4.574 -0.374) 4.606 13.542 ( 0.396 4.574 -0.374) 4.606 13.685 ( 0.070 -12.003 0.866) 12.035 13.685 ( 0.070 12.003 0.866) 12.035 14.550 ( -9.374 -15.960 -3.858) 18.908 14.550 ( -9.374 15.960 -3.858) 18.908 16.048 ( 1.838 -2.016 1.936) 3.345 16.048 ( 1.838 2.016 1.936) 3.345 16.495 ( -11.849 -10.539 -3.322) 16.202 16.495 ( -11.849 10.539 -3.322) 16.202 ======================= Grid point 24 (14/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 12.475 -1.566 1.314) 12.642 1.169 ( 12.475 1.566 1.314) 12.642 1.367 ( 17.178 -7.671 3.251) 19.092 1.367 ( 17.178 7.671 3.251) 19.092 1.669 ( -4.592 -1.064 1.141) 4.849 1.669 ( -4.592 1.064 1.141) 4.849 1.796 ( 5.768 -2.617 0.860) 6.392 1.796 ( 5.768 2.617 0.860) 6.392 1.967 ( -0.033 -2.316 1.604) 2.817 1.967 ( -0.033 2.316 1.604) 2.817 2.002 ( -0.219 -2.001 -1.069) 2.279 2.002 ( -0.219 2.001 -1.069) 2.279 2.150 ( -1.092 -5.452 -0.695) 5.603 2.150 ( -1.092 5.452 -0.695) 5.603 2.240 ( -6.281 -1.619 1.053) 6.571 2.240 ( -6.281 1.619 1.053) 6.571 2.409 ( -1.287 -2.654 -2.309) 3.745 2.409 ( -1.287 2.654 -2.309) 3.745 2.520 ( 2.295 -1.730 1.135) 3.090 2.520 ( 2.295 1.730 1.135) 3.090 2.669 ( -5.046 -4.647 0.935) 6.924 2.669 ( -5.046 4.647 0.935) 6.924 2.811 ( -4.530 -3.079 0.640) 5.515 2.811 ( -4.530 3.079 0.640) 5.515 2.976 ( -7.343 -6.156 0.848) 9.620 2.976 ( -7.343 6.156 0.848) 9.620 3.052 ( -0.676 -6.129 -5.933) 8.557 3.052 ( -0.676 6.129 -5.933) 8.557 3.236 ( 7.395 -5.601 7.592) 11.988 3.236 ( 7.395 5.601 7.592) 11.988 3.562 ( 1.507 -2.455 1.530) 3.262 3.562 ( 1.507 2.455 1.530) 3.262 3.786 ( 5.646 -2.362 1.253) 6.248 3.786 ( 5.646 2.362 1.253) 6.248 4.000 ( -0.348 -4.611 -0.051) 4.625 4.000 ( -0.348 4.611 -0.051) 4.625 4.342 ( -2.137 -2.751 -0.973) 3.617 4.342 ( -2.137 2.751 -0.973) 3.617 4.523 ( -2.134 -1.031 -0.977) 2.564 4.523 ( -2.134 1.031 -0.977) 2.564 4.775 ( -1.375 -6.482 -0.306) 6.633 4.775 ( -1.375 6.482 -0.306) 6.633 4.926 ( -0.634 -3.600 -2.249) 4.292 4.926 ( -0.634 3.600 -2.249) 4.292 5.317 ( -0.259 -1.908 6.429) 6.711 5.317 ( -0.259 1.908 6.429) 6.711 5.502 ( 2.402 -6.471 2.316) 7.280 5.502 ( 2.402 6.471 2.316) 7.280 5.779 ( 1.601 -5.238 2.269) 5.928 5.779 ( 1.601 5.238 2.269) 5.928 6.146 ( 1.859 -6.146 3.785) 7.454 6.146 ( 1.859 6.146 3.785) 7.454 6.608 ( 3.433 -2.250 -1.756) 4.465 6.608 ( 3.433 2.250 -1.756) 4.465 6.787 ( -0.784 -3.582 0.887) 3.773 6.787 ( -0.784 3.582 0.887) 3.773 7.018 ( -4.437 -0.853 -7.221) 8.518 7.018 ( -4.437 0.853 -7.221) 8.518 7.299 ( -1.157 -3.627 -1.638) 4.144 7.299 ( -1.157 3.627 -1.638) 4.144 7.683 ( 1.811 -5.978 -0.073) 6.247 7.683 ( 1.811 5.978 -0.073) 6.247 7.930 ( 7.149 -9.971 -4.248) 12.984 7.930 ( 7.149 9.971 -4.248) 12.984 8.104 ( 3.628 -1.791 -0.640) 4.096 8.104 ( 3.628 1.791 -0.640) 4.096 8.245 ( -0.246 -2.100 5.753) 6.129 8.245 ( -0.246 2.100 5.753) 6.129 8.533 ( 2.942 -2.565 0.223) 3.910 8.533 ( 2.942 2.565 0.223) 3.910 8.855 ( -1.224 -7.145 4.450) 8.506 8.855 ( -1.224 7.145 4.450) 8.506 9.302 ( 5.478 -6.992 4.035) 9.756 9.302 ( 5.478 6.992 4.035) 9.756 9.370 ( -2.814 -4.494 -4.071) 6.685 9.370 ( -2.814 4.494 -4.071) 6.685 9.632 ( -1.822 -7.844 1.740) 8.239 9.632 ( -1.822 7.844 1.740) 8.239 9.880 ( 1.265 -1.962 3.381) 4.109 9.880 ( 1.265 1.962 3.381) 4.109 10.022 ( 1.019 -4.924 0.674) 5.073 10.022 ( 1.019 4.924 0.674) 5.073 10.133 ( -3.703 -2.719 5.318) 7.027 10.133 ( -3.703 2.719 5.318) 7.027 10.506 ( -2.068 -8.482 -2.980) 9.225 10.506 ( -2.068 8.482 -2.980) 9.225 11.261 ( 11.382 -19.256 1.518) 22.420 11.261 ( 11.382 19.256 1.518) 22.420 11.868 ( 3.833 -3.673 -1.129) 5.428 11.868 ( 3.833 3.673 -1.129) 5.428 12.104 ( -3.414 -3.927 0.502) 5.227 12.104 ( -3.414 3.927 0.502) 5.227 12.239 ( -1.747 -3.420 -2.633) 4.656 12.239 ( -1.747 3.420 -2.633) 4.656 12.725 ( 1.645 -2.658 1.110) 3.317 12.725 ( 1.645 2.658 1.110) 3.317 12.853 ( -1.782 -0.974 0.115) 2.034 12.853 ( -1.782 0.974 0.115) 2.034 13.544 ( 0.086 -3.618 -0.354) 3.636 13.544 ( 0.086 3.618 -0.354) 3.636 13.692 ( 0.133 -12.065 0.692) 12.085 13.692 ( 0.133 12.065 0.692) 12.085 14.397 ( -5.263 -14.563 -2.144) 15.633 14.397 ( -5.263 14.563 -2.144) 15.633 16.062 ( -1.106 -6.326 0.467) 6.439 16.062 ( -1.106 6.326 0.467) 6.439 16.335 ( -4.264 -4.899 -1.105) 6.588 16.335 ( -4.264 4.899 -1.105) 6.588 ======================= Grid point 26 (15/96) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 9.902 -0.235 0.388) 9.912 1.384 ( 9.902 0.235 0.388) 9.912 1.558 ( -7.003 -1.223 0.194) 7.112 1.558 ( -7.003 1.223 0.194) 7.112 1.663 ( 12.519 -4.727 2.622) 13.636 1.663 ( 12.519 4.727 2.622) 13.636 1.884 ( -5.090 -4.899 -0.868) 7.118 1.884 ( -5.090 4.899 -0.868) 7.118 1.979 ( 1.355 -0.792 1.607) 2.246 1.979 ( 1.355 0.792 1.607) 2.246 2.029 ( 5.271 -1.065 0.162) 5.380 2.029 ( 5.271 1.065 0.162) 5.380 2.100 ( -0.140 -1.046 0.544) 1.187 2.100 ( -0.140 1.046 0.544) 1.187 2.170 ( -0.912 -2.186 0.074) 2.370 2.170 ( -0.912 2.186 0.074) 2.370 2.343 ( -4.724 -4.002 -2.259) 6.591 2.343 ( -4.724 4.002 -2.259) 6.591 2.484 ( -7.765 -4.816 -2.220) 9.403 2.484 ( -7.765 4.816 -2.220) 9.403 2.592 ( 0.862 -0.913 1.088) 1.662 2.592 ( 0.862 0.913 1.088) 1.662 2.781 ( -0.563 -3.616 4.876) 6.097 2.781 ( -0.563 3.616 4.876) 6.097 2.852 ( -2.856 -6.508 -3.917) 8.115 2.852 ( -2.856 6.508 -3.917) 8.115 3.009 ( -1.497 -2.899 -1.819) 3.736 3.009 ( -1.497 2.899 -1.819) 3.736 3.386 ( 2.020 -1.278 3.240) 4.026 3.386 ( 2.020 1.278 3.240) 4.026 3.691 ( 9.718 -3.006 -0.075) 10.172 3.691 ( 9.718 3.006 -0.075) 10.172 3.901 ( 3.432 -4.195 2.761) 6.083 3.901 ( 3.432 4.195 2.761) 6.083 4.010 ( 1.546 -3.220 1.804) 4.001 4.010 ( 1.546 3.220 1.804) 4.001 4.222 ( -8.241 -4.768 -1.923) 9.713 4.222 ( -8.241 4.768 -1.923) 9.713 4.496 ( -0.964 -1.821 0.972) 2.278 4.496 ( -0.964 1.821 0.972) 2.278 4.658 ( -4.073 -4.044 -5.140) 7.704 4.658 ( -4.073 4.044 -5.140) 7.704 4.961 ( 1.593 -4.429 1.172) 4.851 4.961 ( 1.593 4.429 1.172) 4.851 5.330 ( -0.020 -5.284 0.949) 5.369 5.330 ( -0.020 5.284 0.949) 5.369 5.552 ( 1.141 -5.106 1.204) 5.368 5.552 ( 1.141 5.106 1.204) 5.368 5.815 ( 1.020 -5.611 0.427) 5.719 5.815 ( 1.020 5.611 0.427) 5.719 6.208 ( 1.564 -7.700 3.606) 8.645 6.208 ( 1.564 7.700 3.606) 8.645 6.668 ( 3.352 -1.388 0.287) 3.639 6.668 ( 3.352 1.388 0.287) 3.639 6.759 ( -2.446 -1.727 0.221) 3.002 6.759 ( -2.446 1.727 0.221) 3.002 6.901 ( -3.056 -4.619 -4.942) 7.423 6.901 ( -3.056 4.619 -4.942) 7.423 7.273 ( -0.706 -2.067 -0.562) 2.255 7.273 ( -0.706 2.067 -0.562) 2.255 7.708 ( 0.779 -6.406 0.335) 6.462 7.708 ( 0.779 6.406 0.335) 6.462 7.965 ( 0.446 -6.799 -1.469) 6.970 7.965 ( 0.446 6.799 -1.469) 6.970 8.181 ( 2.596 -1.698 -0.286) 3.115 8.181 ( 2.596 1.698 -0.286) 3.115 8.283 ( 1.140 -6.001 2.915) 6.768 8.283 ( 1.140 6.001 2.915) 6.768 8.565 ( 0.918 -1.907 -0.658) 2.217 8.565 ( 0.918 1.907 -0.658) 2.217 8.845 ( -1.059 -3.036 1.475) 3.537 8.845 ( -1.059 3.036 1.475) 3.537 9.271 ( -1.767 -4.206 -1.412) 4.776 9.271 ( -1.767 4.206 -1.412) 4.776 9.433 ( 2.114 -10.919 2.041) 11.308 9.433 ( 2.114 10.919 2.041) 11.308 9.618 ( 0.070 -2.824 -0.409) 2.854 9.618 ( 0.070 2.824 -0.409) 2.854 9.928 ( 1.938 -2.873 2.124) 4.065 9.928 ( 1.938 2.873 2.124) 4.065 10.015 ( -1.460 -5.702 -1.108) 5.989 10.015 ( -1.460 5.702 -1.108) 5.989 10.111 ( -1.263 -0.810 3.207) 3.541 10.111 ( -1.263 0.810 3.207) 3.541 10.475 ( -0.150 -6.468 -1.020) 6.549 10.475 ( -0.150 6.468 -1.020) 6.549 11.404 ( 3.551 -12.389 -0.047) 12.888 11.404 ( 3.551 12.389 -0.047) 12.888 11.947 ( 3.784 -7.607 1.298) 8.595 11.947 ( 3.784 7.607 1.298) 8.595 12.065 ( -0.992 -4.426 0.240) 4.543 12.065 ( -0.992 4.426 0.240) 4.543 12.163 ( -3.585 -3.269 -2.571) 5.491 12.163 ( -3.585 3.269 -2.571) 5.491 12.760 ( 1.248 -2.973 0.879) 3.341 12.760 ( 1.248 2.973 0.879) 3.341 12.821 ( -1.343 -1.267 -0.392) 1.887 12.821 ( -1.343 1.267 -0.392) 1.887 13.544 ( 0.043 -1.486 -0.160) 1.495 13.544 ( 0.043 1.486 -0.160) 1.495 13.696 ( 0.034 -12.576 0.272) 12.579 13.696 ( 0.034 12.576 0.272) 12.579 14.327 ( -1.594 -12.897 -0.636) 13.011 14.327 ( -1.594 12.897 -0.636) 13.011 16.035 ( -1.094 -8.200 -0.155) 8.274 16.035 ( -1.094 8.200 -0.155) 8.274 16.296 ( -0.568 -1.551 -0.029) 1.652 16.296 ( -0.568 1.551 -0.029) 1.652 ======================= Grid point 45 (16/96) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.389 ( 0.182 0.000 18.563) 18.564 0.475 ( 3.936 0.000 22.465) 22.807 0.871 ( -2.347 0.000 38.222) 38.294 1.044 ( -4.914 0.000 18.340) 18.987 1.416 ( -0.950 0.000 1.766) 2.005 1.562 ( -0.089 0.000 -1.695) 1.697 1.879 ( -4.090 0.000 -0.552) 4.127 1.889 ( -1.745 0.000 5.622) 5.887 1.975 ( -1.503 0.000 5.016) 5.237 1.978 ( -1.861 0.000 2.650) 3.239 1.986 ( 2.483 0.000 -0.520) 2.537 2.035 ( 0.794 0.000 9.297) 9.331 2.128 ( -1.934 0.000 3.937) 4.386 2.172 ( 3.368 0.000 5.019) 6.045 2.401 ( -3.072 0.000 5.369) 6.185 2.405 ( -2.653 0.000 4.100) 4.884 2.441 ( -1.337 0.000 -0.130) 1.343 2.516 ( 0.236 0.000 4.199) 4.206 2.608 ( 1.350 0.000 -4.797) 4.984 2.705 ( 4.250 0.000 8.193) 9.230 2.711 ( 1.581 0.000 -2.209) 2.717 2.763 ( -2.145 0.000 -4.832) 5.287 2.850 ( -1.589 0.000 2.247) 2.752 3.019 ( -5.698 0.000 8.249) 10.025 3.074 ( 3.381 0.000 -4.358) 5.516 3.102 ( 1.435 0.000 4.699) 4.913 3.129 ( -2.930 0.000 -4.349) 5.244 3.278 ( 8.181 0.000 2.537) 8.566 3.380 ( -5.537 0.000 4.213) 6.957 3.403 ( -3.680 0.000 3.650) 5.183 3.574 ( -1.456 0.000 1.233) 1.908 3.688 ( -3.617 0.000 -1.564) 3.940 3.715 ( 5.233 0.000 -2.621) 5.853 3.969 ( -2.941 0.000 -4.818) 5.645 4.026 ( -4.145 0.000 -1.039) 4.273 4.094 ( 6.525 0.000 2.924) 7.151 4.120 ( -0.429 0.000 -2.614) 2.649 4.212 ( 2.561 0.000 -0.119) 2.564 4.320 ( -7.466 0.000 5.979) 9.565 4.432 ( -4.341 0.000 -2.295) 4.911 4.689 ( 5.762 0.000 -0.001) 5.762 4.695 ( 1.483 0.000 -3.970) 4.238 4.812 ( 2.737 0.000 -2.053) 3.421 4.819 ( 2.693 0.000 9.624) 9.993 5.177 ( 13.833 0.000 13.857) 19.580 5.352 ( 0.570 0.000 -1.142) 1.276 5.468 ( -0.681 0.000 -2.658) 2.744 5.655 ( 14.519 0.000 -2.900) 14.806 5.808 ( 15.674 0.000 -2.090) 15.813 5.875 ( -2.289 0.000 -7.217) 7.572 6.003 ( -1.278 0.000 1.966) 2.345 6.012 ( 18.051 0.000 5.081) 18.753 6.290 ( -4.067 0.000 2.628) 4.842 6.511 ( 0.062 0.000 -2.321) 2.321 6.638 ( -8.349 0.000 5.218) 9.846 6.822 ( -7.499 0.000 -4.401) 8.695 6.938 ( 1.150 0.000 -1.564) 1.941 6.950 ( -3.580 0.000 0.253) 3.589 7.226 ( -0.240 0.000 -5.588) 5.593 7.327 ( -2.272 0.000 3.608) 4.264 7.335 ( -21.814 0.000 0.887) 21.832 7.523 ( -5.706 0.000 5.611) 8.003 7.616 ( -1.472 0.000 -4.751) 4.974 7.865 ( 2.450 0.000 -0.196) 2.458 7.960 ( 3.845 0.000 -0.126) 3.848 7.971 ( -2.003 0.000 6.223) 6.538 8.163 ( 2.047 0.000 10.129) 10.334 8.182 ( -0.324 0.000 -7.780) 7.787 8.522 ( -6.889 0.000 1.042) 6.968 8.723 ( 3.530 0.000 5.253) 6.329 8.775 ( -4.403 0.000 2.300) 4.968 8.842 ( 3.174 0.000 -0.909) 3.301 8.970 ( -3.393 0.000 1.741) 3.814 9.123 ( -3.100 0.000 4.412) 5.393 9.253 ( -2.817 0.000 0.985) 2.984 9.555 ( -1.052 0.000 -13.501) 13.542 9.710 ( -1.756 0.000 -1.443) 2.273 9.732 ( -0.230 0.000 -3.216) 3.224 9.962 ( 3.452 0.000 5.043) 6.111 10.030 ( 5.717 0.000 2.841) 6.384 10.180 ( -2.044 0.000 2.922) 3.566 10.223 ( -0.100 0.000 1.941) 1.944 10.280 ( -2.310 0.000 -0.585) 2.383 10.423 ( -1.837 0.000 9.381) 9.560 10.513 ( -1.006 0.000 10.115) 10.165 10.847 ( 12.600 0.000 -2.946) 12.940 10.971 ( -6.508 0.000 5.564) 8.563 11.717 ( -2.335 0.000 1.055) 2.562 11.796 ( -0.736 0.000 -3.722) 3.794 12.050 ( -0.263 0.000 2.454) 2.468 12.088 ( -1.136 0.000 -3.986) 4.145 12.222 ( 2.550 0.000 1.803) 3.123 12.280 ( 0.411 0.000 -4.853) 4.870 12.464 ( 1.187 0.000 1.850) 2.198 12.655 ( -7.103 0.000 -0.121) 7.104 12.670 ( 6.697 0.000 0.603) 6.725 12.866 ( 1.229 0.000 1.083) 1.638 13.101 ( -1.001 0.000 0.679) 1.209 13.185 ( -4.011 0.000 0.970) 4.127 13.216 ( -1.079 0.000 0.309) 1.122 13.369 ( 2.464 0.000 -3.324) 4.137 13.745 ( 0.580 0.000 -4.066) 4.107 14.196 ( -0.267 0.000 3.501) 3.511 15.020 ( -2.717 0.000 -5.587) 6.212 15.860 ( -0.467 0.000 -0.472) 0.664 15.910 ( 3.018 0.000 1.555) 3.395 16.043 ( 11.502 0.000 -2.197) 11.710 16.903 ( -0.421 0.000 -10.637) 10.645 ======================= Grid point 46 (17/96) ======================= q-point: ( 0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( 14.234 0.000 12.079) 18.669 0.756 ( 10.501 0.000 19.793) 22.406 1.104 ( 0.224 0.000 18.313) 18.314 1.259 ( 20.547 0.000 25.138) 32.467 1.434 ( 2.726 0.000 2.527) 3.717 1.517 ( -3.095 0.000 -1.319) 3.364 1.817 ( -2.627 0.000 0.760) 2.735 1.904 ( 1.156 0.000 3.449) 3.638 1.935 ( -4.137 0.000 3.909) 5.692 1.945 ( -3.116 0.000 2.157) 3.789 1.994 ( -2.217 0.000 0.887) 2.388 2.091 ( -0.324 0.000 8.496) 8.502 2.098 ( -2.735 0.000 8.232) 8.674 2.227 ( -0.231 0.000 3.643) 3.650 2.372 ( -2.057 0.000 6.315) 6.642 2.415 ( -1.716 0.000 0.903) 1.939 2.435 ( 2.809 0.000 1.235) 3.069 2.535 ( -3.194 0.000 7.958) 8.575 2.621 ( 0.985 0.000 0.647) 1.178 2.681 ( -3.492 0.000 -4.563) 5.746 2.730 ( 1.895 0.000 -5.661) 5.970 2.759 ( -3.354 0.000 5.876) 6.765 2.855 ( 0.113 0.000 2.033) 2.036 2.930 ( -8.220 0.000 -5.788) 10.053 2.973 ( -2.493 0.000 5.967) 6.467 3.149 ( -0.390 0.000 6.651) 6.662 3.200 ( 0.248 0.000 -1.357) 1.380 3.302 ( -0.393 0.000 4.666) 4.682 3.381 ( 0.545 0.000 2.132) 2.200 3.442 ( -9.289 0.000 -3.896) 10.073 3.450 ( 4.735 0.000 3.881) 6.122 3.633 ( -0.455 0.000 3.004) 3.039 3.708 ( -4.014 0.000 -1.715) 4.365 3.939 ( -2.943 0.000 -1.867) 3.485 3.973 ( 2.624 0.000 1.556) 3.051 4.097 ( -2.966 0.000 0.947) 3.114 4.122 ( -1.612 0.000 -3.420) 3.781 4.304 ( 1.705 0.000 5.890) 6.132 4.309 ( 5.670 0.000 1.572) 5.884 4.370 ( 1.123 0.000 -4.076) 4.228 4.670 ( -1.133 0.000 -2.992) 3.199 4.794 ( 6.630 0.000 -1.064) 6.715 4.839 ( 0.640 0.000 -4.771) 4.813 4.886 ( 2.622 0.000 -2.178) 3.409 5.413 ( 5.901 0.000 0.128) 5.903 5.416 ( -1.615 0.000 -3.283) 3.658 5.524 ( 2.532 0.000 20.378) 20.534 5.629 ( -4.303 0.000 -7.160) 8.353 5.811 ( 1.023 0.000 -6.924) 7.000 5.923 ( 1.020 0.000 1.649) 1.939 6.112 ( 10.067 0.000 6.561) 12.016 6.275 ( -12.830 0.000 12.678) 18.038 6.320 ( -1.548 0.000 6.924) 7.095 6.557 ( -2.623 0.000 2.380) 3.541 6.575 ( 6.445 0.000 0.531) 6.467 6.601 ( 14.427 0.000 -4.754) 15.190 6.925 ( 3.982 0.000 -3.250) 5.140 7.001 ( 5.277 0.000 0.485) 5.299 7.144 ( -3.964 0.000 -10.840) 11.542 7.198 ( 1.468 0.000 -3.081) 3.413 7.318 ( -1.337 0.000 3.757) 3.988 7.559 ( 2.981 0.000 4.906) 5.741 7.578 ( -0.383 0.000 -1.928) 1.966 7.854 ( -1.383 0.000 -2.700) 3.034 7.978 ( -0.483 0.000 4.904) 4.927 8.067 ( 6.172 0.000 0.782) 6.221 8.200 ( 5.050 0.000 -3.952) 6.413 8.282 ( 2.545 0.000 13.082) 13.327 8.401 ( -4.377 0.000 0.631) 4.422 8.679 ( -6.413 0.000 7.921) 10.191 8.831 ( 4.692 0.000 5.987) 7.607 8.970 ( 9.001 0.000 0.855) 9.042 8.993 ( 0.079 0.000 3.207) 3.208 9.095 ( -1.466 0.000 4.022) 4.281 9.349 ( 8.161 0.000 -1.583) 8.313 9.432 ( -3.338 0.000 -12.952) 13.376 9.607 ( -6.936 0.000 -2.451) 7.356 9.712 ( -0.546 0.000 -2.326) 2.389 10.000 ( -2.866 0.000 4.697) 5.503 10.109 ( -5.771 0.000 -1.212) 5.897 10.161 ( 0.966 0.000 3.888) 4.006 10.175 ( -2.242 0.000 -2.108) 3.077 10.256 ( 3.137 0.000 5.427) 6.269 10.487 ( 2.224 0.000 10.051) 10.294 10.535 ( -2.797 0.000 11.703) 12.033 10.806 ( -8.644 0.000 0.928) 8.694 10.854 ( -8.387 0.000 2.797) 8.841 11.704 ( 0.973 0.000 0.496) 1.092 11.781 ( 1.415 0.000 -4.656) 4.866 12.065 ( -1.165 0.000 -3.860) 4.032 12.069 ( 1.356 0.000 2.558) 2.896 12.252 ( -0.584 0.000 -4.839) 4.874 12.264 ( -0.522 0.000 2.007) 2.074 12.517 ( 2.404 0.000 3.745) 4.450 12.562 ( -1.772 0.000 0.411) 1.819 12.761 ( 2.960 0.000 -1.148) 3.175 12.909 ( 1.907 0.000 0.603) 2.000 13.087 ( -0.874 0.000 0.979) 1.313 13.162 ( 0.235 0.000 0.527) 0.577 13.173 ( -2.143 0.000 0.207) 2.153 13.424 ( 3.975 0.000 -3.304) 5.169 13.741 ( 1.580 0.000 -4.333) 4.612 14.209 ( -0.636 0.000 3.982) 4.032 14.898 ( -6.149 0.000 -6.742) 9.125 15.841 ( -1.069 0.000 -0.939) 1.423 16.006 ( 5.294 0.000 2.651) 5.921 16.199 ( 5.923 0.000 -6.387) 8.711 16.761 ( -7.485 0.000 -11.313) 13.565 ======================= Grid point 47 (18/96) ======================= q-point: ( 0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( 15.517 0.000 7.425) 17.202 1.056 ( 10.682 0.000 16.833) 19.936 1.235 ( 3.176 0.000 16.349) 16.655 1.488 ( 1.246 0.000 2.149) 2.484 1.579 ( 10.954 0.000 4.696) 11.918 1.721 ( 15.362 0.000 7.217) 16.973 1.785 ( -2.385 0.000 3.375) 4.132 1.878 ( -4.715 0.000 5.611) 7.329 1.890 ( -3.406 0.000 0.646) 3.467 1.948 ( 0.017 0.000 3.970) 3.970 2.018 ( 6.361 0.000 3.932) 7.478 2.104 ( -1.614 0.000 7.029) 7.212 2.112 ( -2.002 0.000 7.479) 7.742 2.211 ( -2.898 0.000 0.507) 2.942 2.364 ( -5.444 0.000 2.604) 6.035 2.381 ( -2.080 0.000 8.224) 8.483 2.456 ( -4.776 0.000 -2.075) 5.208 2.514 ( 0.288 0.000 1.665) 1.690 2.544 ( -7.293 0.000 -4.676) 8.664 2.613 ( -2.677 0.000 3.737) 4.597 2.733 ( -1.416 0.000 11.226) 11.315 2.738 ( 2.464 0.000 -7.710) 8.094 2.770 ( -5.678 0.000 -2.927) 6.388 2.832 ( -2.815 0.000 4.055) 4.936 2.988 ( -3.580 0.000 1.484) 3.875 3.054 ( -7.082 0.000 -2.773) 7.606 3.109 ( -5.723 0.000 -0.141) 5.725 3.316 ( -0.664 0.000 6.296) 6.331 3.413 ( -3.847 0.000 8.482) 9.313 3.432 ( 5.465 0.000 2.122) 5.863 3.449 ( -4.891 0.000 -0.815) 4.959 3.624 ( -3.373 0.000 3.419) 4.803 3.669 ( 3.857 0.000 -3.578) 5.261 3.967 ( 6.811 0.000 0.779) 6.855 3.980 ( -7.793 0.000 3.057) 8.371 4.047 ( 4.328 0.000 1.772) 4.677 4.145 ( 4.264 0.000 -3.031) 5.232 4.370 ( 1.956 0.000 2.559) 3.221 4.391 ( 1.191 0.000 1.228) 1.711 4.418 ( 5.114 0.000 -1.318) 5.281 4.633 ( -2.148 0.000 -1.296) 2.509 4.781 ( -2.003 0.000 -7.147) 7.422 4.885 ( 0.037 0.000 -4.161) 4.161 4.915 ( 6.111 0.000 -4.077) 7.346 5.357 ( -1.853 0.000 -3.987) 4.396 5.424 ( -10.078 0.000 -4.034) 10.856 5.546 ( -3.644 0.000 6.641) 7.575 5.569 ( 6.487 0.000 -2.331) 6.893 5.820 ( 1.810 0.000 -4.461) 4.815 5.914 ( -2.140 0.000 1.610) 2.678 6.124 ( -7.039 0.000 21.184) 22.323 6.285 ( 4.942 0.000 4.548) 6.716 6.429 ( 6.101 0.000 -1.065) 6.193 6.543 ( -0.025 0.000 4.248) 4.248 6.669 ( 2.585 0.000 -0.217) 2.594 6.911 ( 6.881 0.000 -3.430) 7.688 6.958 ( 1.065 0.000 -6.500) 6.586 6.984 ( -4.102 0.000 -10.315) 11.101 7.200 ( 21.224 0.000 -0.094) 21.224 7.206 ( -0.611 0.000 0.961) 1.139 7.341 ( 1.863 0.000 3.127) 3.640 7.578 ( 0.821 0.000 -0.093) 0.826 7.666 ( 6.490 0.000 0.543) 6.513 7.811 ( -1.407 0.000 -1.221) 1.862 8.004 ( 0.671 0.000 3.571) 3.633 8.191 ( 6.012 0.000 2.975) 6.708 8.233 ( -0.867 0.000 -1.282) 1.548 8.354 ( -0.587 0.000 5.941) 5.970 8.427 ( 4.195 0.000 4.434) 6.104 8.613 ( -2.949 0.000 2.921) 4.151 8.936 ( 1.913 0.000 4.288) 4.695 8.979 ( -3.082 0.000 1.973) 3.659 9.008 ( -2.068 0.000 -2.005) 2.880 9.202 ( 4.925 0.000 -0.125) 4.926 9.342 ( -7.724 0.000 -4.293) 8.837 9.370 ( 5.831 0.000 -3.525) 6.814 9.558 ( 3.754 0.000 -2.120) 4.311 9.688 ( 0.203 0.000 -3.581) 3.587 9.937 ( -4.202 0.000 0.787) 4.275 9.996 ( -5.053 0.000 -1.789) 5.360 10.043 ( -6.110 0.000 -0.069) 6.110 10.251 ( 3.860 0.000 -3.629) 5.297 10.378 ( 4.748 0.000 9.268) 10.414 10.503 ( -12.145 0.000 14.254) 18.727 10.546 ( -4.663 0.000 17.032) 17.659 10.707 ( -7.245 0.000 -0.992) 7.313 10.778 ( 9.016 0.000 4.761) 10.196 11.760 ( 4.251 0.000 0.369) 4.267 11.790 ( 2.196 0.000 -4.952) 5.417 11.963 ( -7.047 0.000 -4.450) 8.335 12.114 ( 1.838 0.000 0.122) 1.842 12.218 ( -0.466 0.000 -3.697) 3.726 12.236 ( -3.128 0.000 4.117) 5.171 12.557 ( -0.663 0.000 2.956) 3.030 12.565 ( 1.741 0.000 -1.569) 2.343 12.787 ( 1.193 0.000 -3.153) 3.371 12.932 ( 0.364 0.000 0.727) 0.813 13.079 ( -0.750 0.000 1.339) 1.534 13.165 ( 0.765 0.000 1.452) 1.641 13.175 ( 0.867 0.000 -0.236) 0.898 13.458 ( 1.919 0.000 -4.393) 4.794 13.757 ( 2.665 0.000 -4.321) 5.077 14.213 ( -1.391 0.000 4.238) 4.460 14.746 ( -6.023 0.000 -5.487) 8.148 15.816 ( -0.857 0.000 -1.053) 1.358 16.113 ( 4.507 0.000 2.284) 5.053 16.229 ( 1.525 0.000 -4.790) 5.027 16.544 ( -8.766 0.000 -9.264) 12.754 ======================= Grid point 48 (19/96) ======================= q-point: ( 0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 13.648 0.000 6.588) 15.155 1.320 ( 8.619 0.000 13.307) 15.855 1.388 ( 5.055 0.000 11.639) 12.689 1.603 ( 8.618 0.000 3.699) 9.378 1.745 ( -5.315 0.000 7.444) 9.146 1.806 ( -6.868 0.000 6.675) 9.577 1.830 ( -0.300 0.000 1.135) 1.174 1.866 ( 12.064 0.000 1.953) 12.221 1.878 ( 3.768 0.000 0.006) 3.768 2.035 ( 5.440 0.000 4.339) 6.958 2.081 ( -2.667 0.000 6.173) 6.725 2.094 ( -5.346 0.000 4.647) 7.084 2.135 ( -3.352 0.000 2.560) 4.218 2.167 ( 2.599 0.000 2.471) 3.586 2.222 ( -8.116 0.000 0.629) 8.140 2.274 ( -9.316 0.000 -2.796) 9.727 2.352 ( -5.864 0.000 5.686) 8.169 2.456 ( -0.896 0.000 -2.331) 2.497 2.504 ( -1.475 0.000 -0.743) 1.652 2.645 ( -0.020 0.000 7.817) 7.817 2.675 ( -2.045 0.000 -5.702) 6.058 2.723 ( -2.111 0.000 -3.124) 3.771 2.736 ( -14.092 0.000 -2.829) 14.373 2.784 ( -1.279 0.000 9.112) 9.202 2.864 ( 2.814 0.000 2.984) 4.101 2.990 ( -6.402 0.000 0.219) 6.406 3.067 ( 3.818 0.000 0.630) 3.869 3.296 ( -8.048 0.000 -3.071) 8.614 3.372 ( -4.140 0.000 8.327) 9.300 3.418 ( 5.527 0.000 14.018) 15.068 3.441 ( -3.914 0.000 0.670) 3.971 3.702 ( 7.163 0.000 1.737) 7.371 3.749 ( 6.655 0.000 -3.854) 7.690 3.864 ( -6.301 0.000 3.178) 7.057 4.110 ( 2.959 0.000 -5.224) 6.004 4.125 ( 7.634 0.000 0.067) 7.635 4.250 ( 6.591 0.000 2.823) 7.170 4.332 ( -8.044 0.000 -3.585) 8.806 4.362 ( -2.738 0.000 1.075) 2.942 4.521 ( -5.752 0.000 -3.733) 6.857 4.567 ( 9.042 0.000 3.996) 9.885 4.778 ( 3.430 0.000 -1.755) 3.853 4.796 ( -5.241 0.000 -8.827) 10.265 4.992 ( 3.550 0.000 -3.108) 4.718 5.185 ( -11.243 0.000 -2.986) 11.633 5.318 ( 0.110 0.000 -3.928) 3.929 5.528 ( -0.706 0.000 1.699) 1.840 5.674 ( 4.305 0.000 0.042) 4.305 5.809 ( -0.819 0.000 -1.988) 2.150 5.889 ( -1.137 0.000 -0.185) 1.152 6.164 ( -1.025 0.000 10.843) 10.891 6.391 ( 5.907 0.000 -1.273) 6.043 6.501 ( 3.441 0.000 -2.272) 4.123 6.577 ( 0.239 0.000 -1.615) 1.633 6.699 ( 0.748 0.000 0.868) 1.146 6.789 ( -3.199 0.000 -8.579) 9.156 6.936 ( 1.165 0.000 -3.853) 4.025 6.956 ( -3.745 0.000 4.046) 5.513 7.187 ( -2.068 0.000 2.702) 3.402 7.394 ( 0.612 0.000 5.621) 5.654 7.548 ( 5.959 0.000 -3.203) 6.765 7.640 ( 9.419 0.000 0.642) 9.441 7.781 ( 5.672 0.000 -2.048) 6.031 7.838 ( 6.867 0.000 1.511) 7.032 8.036 ( 0.716 0.000 2.649) 2.744 8.198 ( -2.201 0.000 0.705) 2.311 8.272 ( -2.553 0.000 3.925) 4.683 8.374 ( 4.809 0.000 -1.983) 5.202 8.435 ( -5.699 0.000 4.478) 7.248 8.685 ( 7.351 0.000 0.677) 7.382 8.891 ( -6.944 0.000 0.768) 6.986 8.914 ( -3.950 0.000 2.280) 4.560 8.959 ( -0.750 0.000 -6.743) 6.785 9.186 ( -3.998 0.000 -6.267) 7.434 9.263 ( 3.019 0.000 3.242) 4.430 9.523 ( 7.226 0.000 0.223) 7.230 9.593 ( 0.629 0.000 -2.647) 2.721 9.703 ( 4.974 0.000 -8.057) 9.469 9.871 ( -3.598 0.000 -1.176) 3.785 9.915 ( -1.684 0.000 -1.733) 2.416 9.943 ( -4.410 0.000 -1.029) 4.528 10.275 ( -4.297 0.000 1.313) 4.493 10.326 ( -5.835 0.000 3.837) 6.984 10.475 ( -8.322 0.000 4.534) 9.477 10.505 ( -1.305 0.000 16.636) 16.687 10.658 ( 0.820 0.000 7.066) 7.113 11.061 ( 14.134 0.000 10.607) 17.671 11.719 ( -10.319 0.000 -5.526) 11.705 11.807 ( 2.890 0.000 -4.665) 5.487 11.908 ( 5.352 0.000 1.346) 5.519 12.109 ( -1.700 0.000 -1.120) 2.036 12.184 ( -1.757 0.000 -2.334) 2.921 12.231 ( -0.646 0.000 5.391) 5.430 12.525 ( -3.493 0.000 1.246) 3.709 12.589 ( 1.815 0.000 -3.593) 4.025 12.777 ( 0.779 0.000 -5.719) 5.771 12.937 ( -0.182 0.000 0.860) 0.879 13.077 ( -0.103 0.000 1.711) 1.714 13.188 ( 0.541 0.000 -0.179) 0.570 13.200 ( 1.479 0.000 1.543) 2.138 13.453 ( 0.659 0.000 -4.774) 4.820 13.789 ( 3.134 0.000 -4.140) 5.192 14.203 ( -2.120 0.000 4.390) 4.875 14.629 ( -3.678 0.000 -3.489) 5.069 15.802 ( -0.035 0.000 -0.853) 0.854 16.185 ( 1.642 0.000 0.804) 1.828 16.224 ( 1.186 0.000 -3.952) 4.126 16.366 ( -5.410 0.000 -6.147) 8.188 ======================= Grid point 49 (20/96) ======================= q-point: ( 0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( 4.395 0.000 9.961) 10.888 1.513 ( 4.753 0.000 9.935) 11.013 1.548 ( 3.705 0.000 3.493) 5.092 1.682 ( -9.017 0.000 7.275) 11.586 1.699 ( -0.314 0.000 8.305) 8.311 1.744 ( -8.793 0.000 0.156) 8.794 1.774 ( 4.145 0.000 1.237) 4.326 1.963 ( -2.990 0.000 0.884) 3.118 1.975 ( 6.523 0.000 1.111) 6.617 2.032 ( -1.348 0.000 0.481) 1.432 2.042 ( -3.552 0.000 1.993) 4.073 2.086 ( -1.895 0.000 5.474) 5.793 2.131 ( 1.982 0.000 3.120) 3.696 2.156 ( -5.903 0.000 1.771) 6.163 2.170 ( -0.506 0.000 1.484) 1.567 2.249 ( -5.638 0.000 5.290) 7.731 2.299 ( 7.310 0.000 0.935) 7.370 2.429 ( 1.720 0.000 0.085) 1.722 2.460 ( -5.157 0.000 -2.532) 5.745 2.533 ( -1.533 0.000 1.291) 2.004 2.549 ( -6.874 0.000 -6.444) 9.422 2.664 ( -1.858 0.000 9.983) 10.154 2.689 ( -0.217 0.000 2.587) 2.596 2.803 ( -0.519 0.000 4.588) 4.617 2.865 ( -3.514 0.000 -0.103) 3.515 2.935 ( 0.079 0.000 1.614) 1.616 3.146 ( -4.299 0.000 -7.342) 8.508 3.195 ( 5.759 0.000 4.477) 7.294 3.351 ( -2.795 0.000 9.520) 9.922 3.373 ( -2.889 0.000 -1.019) 3.064 3.591 ( -1.677 0.000 5.645) 5.889 3.778 ( -2.740 0.000 -0.756) 2.842 3.787 ( -1.035 0.000 -0.059) 1.036 3.845 ( 5.493 0.000 -2.274) 5.945 4.071 ( -6.454 0.000 -0.601) 6.482 4.129 ( 1.947 0.000 -4.742) 5.126 4.267 ( 5.297 0.000 -4.959) 7.256 4.304 ( 0.418 0.000 -2.865) 2.895 4.407 ( 4.356 0.000 9.543) 10.490 4.467 ( -0.982 0.000 1.273) 1.608 4.617 ( -7.598 0.000 -9.248) 11.969 4.762 ( 8.422 0.000 3.901) 9.281 4.774 ( -2.901 0.000 -7.451) 7.996 5.009 ( 0.563 0.000 -4.114) 4.152 5.064 ( -0.337 0.000 4.272) 4.285 5.310 ( 0.847 0.000 -3.352) 3.457 5.515 ( -1.358 0.000 -1.947) 2.374 5.699 ( -2.427 0.000 -2.157) 3.247 5.795 ( 0.149 0.000 1.413) 1.421 5.859 ( -0.389 0.000 -4.588) 4.605 6.137 ( -5.092 0.000 2.402) 5.630 6.422 ( -3.514 0.000 -14.621) 15.037 6.526 ( 4.396 0.000 -3.700) 5.746 6.567 ( 3.253 0.000 1.338) 3.517 6.722 ( 1.691 0.000 1.261) 2.110 6.789 ( -0.540 0.000 3.352) 3.395 6.938 ( 1.743 0.000 7.321) 7.526 6.967 ( 2.273 0.000 1.002) 2.483 7.174 ( -0.398 0.000 2.288) 2.323 7.421 ( -1.220 0.000 6.871) 6.978 7.566 ( 0.292 0.000 0.084) 0.304 7.740 ( 3.024 0.000 -2.478) 3.910 7.842 ( 2.823 0.000 -3.271) 4.320 8.041 ( 9.266 0.000 1.149) 9.337 8.052 ( -0.305 0.000 0.852) 0.904 8.172 ( -1.281 0.000 3.026) 3.286 8.173 ( -6.693 0.000 -2.930) 7.307 8.339 ( -5.319 0.000 0.548) 5.347 8.477 ( 5.906 0.000 -2.244) 6.318 8.723 ( -10.045 0.000 -3.898) 10.775 8.737 ( -2.116 0.000 1.784) 2.768 8.904 ( -0.660 0.000 1.186) 1.357 8.939 ( 2.483 0.000 -3.739) 4.488 9.182 ( 8.634 0.000 -7.248) 11.273 9.312 ( -0.687 0.000 3.876) 3.936 9.563 ( -2.286 0.000 0.350) 2.313 9.615 ( 2.116 0.000 0.177) 2.123 9.749 ( 4.124 0.000 -9.988) 10.806 9.811 ( 0.074 0.000 -1.701) 1.703 9.865 ( -3.417 0.000 -1.474) 3.721 9.915 ( 2.464 0.000 -3.483) 4.267 10.127 ( -8.555 0.000 5.634) 10.244 10.313 ( -8.928 0.000 0.469) 8.941 10.345 ( 2.733 0.000 -3.022) 4.074 10.508 ( -8.134 0.000 13.248) 15.546 10.752 ( 2.467 0.000 12.237) 12.484 11.315 ( 0.387 0.000 4.812) 4.828 11.523 ( -0.291 0.000 0.271) 0.398 11.867 ( 5.746 0.000 -1.795) 6.019 12.027 ( 4.798 0.000 1.203) 4.946 12.064 ( -2.687 0.000 0.289) 2.703 12.131 ( -2.094 0.000 -0.295) 2.115 12.230 ( -2.317 0.000 2.234) 3.219 12.474 ( -1.728 0.000 0.324) 1.758 12.577 ( -0.012 0.000 -6.863) 6.863 12.774 ( 2.247 0.000 -4.889) 5.381 12.935 ( -0.367 0.000 -0.057) 0.372 13.094 ( 0.508 0.000 2.450) 2.502 13.192 ( -0.006 0.000 -0.099) 0.100 13.213 ( -0.828 0.000 0.037) 0.829 13.449 ( 1.742 0.000 -3.853) 4.229 13.820 ( 2.368 0.000 -3.886) 4.550 14.186 ( -2.195 0.000 4.181) 4.722 14.580 ( 0.021 0.000 -1.513) 1.513 15.803 ( 0.438 0.000 -0.537) 0.693 16.171 ( -1.208 0.000 -3.580) 3.778 16.244 ( 1.414 0.000 -1.389) 1.982 16.289 ( 0.137 0.000 -3.282) 3.285 ======================= Grid point 50 (21/96) ======================= q-point: (-0.44 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -13.533 0.000 7.076) 15.272 1.471 ( -10.853 0.000 2.261) 11.086 1.507 ( -13.680 0.000 6.202) 15.020 1.632 ( 2.507 0.000 8.297) 8.667 1.669 ( 2.225 0.000 7.398) 7.726 1.741 ( -8.506 0.000 0.328) 8.512 1.823 ( 5.378 0.000 2.847) 6.085 1.950 ( -3.070 0.000 -1.196) 3.295 1.957 ( -8.100 0.000 0.287) 8.105 2.007 ( 6.115 0.000 1.759) 6.363 2.027 ( -3.661 0.000 2.742) 4.574 2.087 ( -1.772 0.000 5.370) 5.655 2.119 ( -0.131 0.000 5.464) 5.466 2.153 ( -0.053 0.000 -0.206) 0.213 2.186 ( -6.499 0.000 -1.439) 6.657 2.221 ( 0.191 0.000 3.507) 3.512 2.292 ( 8.278 0.000 5.758) 10.084 2.406 ( 0.925 0.000 -1.627) 1.872 2.470 ( 1.961 0.000 -4.282) 4.710 2.595 ( 5.214 0.000 3.794) 6.448 2.608 ( 2.976 0.000 3.548) 4.631 2.707 ( -1.571 0.000 5.041) 5.280 2.726 ( 6.153 0.000 -0.281) 6.159 2.780 ( -5.838 0.000 6.015) 8.383 2.835 ( 4.315 0.000 1.790) 4.672 2.999 ( 5.037 0.000 4.231) 6.578 3.075 ( 2.405 0.000 -11.676) 11.921 3.207 ( -8.420 0.000 -1.887) 8.629 3.294 ( -17.838 0.000 -0.170) 17.839 3.342 ( 0.982 0.000 -1.720) 1.981 3.420 ( 2.051 0.000 11.692) 11.870 3.652 ( -9.238 0.000 0.242) 9.242 3.776 ( 1.402 0.000 -5.106) 5.295 3.943 ( 2.926 0.000 2.135) 3.622 4.086 ( -4.327 0.000 -2.685) 5.092 4.133 ( 6.862 0.000 0.861) 6.915 4.304 ( -3.453 0.000 -2.572) 4.306 4.354 ( 4.116 0.000 -1.286) 4.312 4.424 ( -0.210 0.000 -4.708) 4.713 4.448 ( -4.606 0.000 -4.957) 6.767 4.522 ( 2.292 0.000 7.578) 7.917 4.732 ( 4.875 0.000 -2.491) 5.475 4.858 ( -0.077 0.000 -4.812) 4.812 5.011 ( 2.936 0.000 -0.188) 2.943 5.147 ( 4.500 0.000 3.523) 5.715 5.292 ( -1.546 0.000 -4.861) 5.101 5.455 ( -2.837 0.000 -2.291) 3.646 5.541 ( -8.785 0.000 -11.383) 14.379 5.820 ( -2.235 0.000 -4.542) 5.062 5.833 ( 2.490 0.000 2.270) 3.369 6.070 ( -3.455 0.000 5.796) 6.747 6.255 ( -3.894 0.000 -13.730) 14.271 6.606 ( 0.463 0.000 1.186) 1.273 6.616 ( 4.420 0.000 -0.480) 4.446 6.760 ( 0.410 0.000 1.966) 2.008 6.769 ( -0.867 0.000 1.930) 2.116 7.007 ( 1.267 0.000 -0.215) 1.286 7.084 ( 7.022 0.000 7.063) 9.959 7.207 ( 2.132 0.000 3.246) 3.883 7.427 ( -2.798 0.000 8.427) 8.879 7.580 ( 0.783 0.000 0.862) 1.165 7.763 ( 1.263 0.000 -1.650) 2.078 7.875 ( 3.519 0.000 -4.030) 5.350 8.019 ( -7.521 0.000 -4.200) 8.614 8.027 ( -2.527 0.000 -0.169) 2.533 8.123 ( -1.233 0.000 -0.290) 1.267 8.179 ( -1.367 0.000 4.802) 4.992 8.274 ( 0.070 0.000 -1.869) 1.870 8.478 ( -11.811 0.000 -2.621) 12.099 8.560 ( 4.171 0.000 -8.346) 9.330 8.706 ( -1.289 0.000 1.128) 1.713 8.851 ( -3.987 0.000 -1.780) 4.366 9.020 ( 7.710 0.000 -1.659) 7.887 9.274 ( -4.767 0.000 1.476) 4.990 9.339 ( 7.074 0.000 -1.829) 7.306 9.575 ( 5.293 0.000 1.868) 5.613 9.587 ( -3.786 0.000 -0.433) 3.811 9.757 ( 1.301 0.000 -8.346) 8.446 9.797 ( -2.840 0.000 -2.788) 3.980 9.855 ( 4.234 0.000 -1.628) 4.536 9.948 ( 3.452 0.000 -5.873) 6.812 10.044 ( -3.194 0.000 2.921) 4.329 10.169 ( -5.221 0.000 -3.086) 6.064 10.367 ( 1.219 0.000 -2.611) 2.882 10.391 ( -10.919 0.000 15.545) 18.997 10.859 ( 1.514 0.000 12.840) 12.929 11.117 ( -13.525 0.000 -1.600) 13.619 11.730 ( 11.754 0.000 6.018) 13.205 11.957 ( 0.325 0.000 1.268) 1.309 12.011 ( -4.858 0.000 2.516) 5.471 12.043 ( 3.098 0.000 -0.209) 3.105 12.181 ( -2.764 0.000 -0.014) 2.764 12.182 ( 4.836 0.000 0.809) 4.903 12.466 ( 0.354 0.000 -0.341) 0.492 12.524 ( -0.651 0.000 -8.995) 9.019 12.799 ( 2.602 0.000 -3.892) 4.681 12.921 ( -0.905 0.000 -0.307) 0.956 13.114 ( -0.183 0.000 3.205) 3.210 13.178 ( -2.203 0.000 -1.191) 2.504 13.188 ( -0.194 0.000 -0.281) 0.341 13.471 ( 2.309 0.000 -3.231) 3.972 13.829 ( 0.719 0.000 -3.620) 3.690 14.172 ( -1.458 0.000 3.426) 3.723 14.618 ( 4.439 0.000 0.190) 4.443 15.810 ( 0.519 0.000 -0.064) 0.523 16.117 ( -2.050 0.000 -4.836) 5.252 16.247 ( 0.054 0.000 -2.506) 2.506 16.336 ( 6.171 0.000 -1.483) 6.347 ======================= Grid point 51 (22/96) ======================= q-point: (-0.33 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( -17.857 0.000 0.350) 17.860 1.214 ( -17.512 0.000 8.078) 19.285 1.357 ( -10.886 0.000 12.576) 16.634 1.569 ( -7.173 0.000 1.790) 7.393 1.666 ( -8.933 0.000 0.949) 8.983 1.741 ( 0.684 0.000 4.776) 4.825 1.774 ( -2.235 0.000 5.658) 6.084 1.879 ( -6.891 0.000 1.611) 7.077 1.911 ( 2.182 0.000 1.647) 2.734 1.996 ( -5.314 0.000 1.162) 5.439 2.022 ( -1.085 0.000 3.596) 3.756 2.088 ( -3.383 0.000 6.469) 7.300 2.119 ( 4.200 0.000 -0.381) 4.217 2.147 ( -9.309 0.000 1.333) 9.404 2.227 ( 2.070 0.000 5.147) 5.548 2.246 ( 6.335 0.000 2.415) 6.780 2.411 ( 0.838 0.000 0.317) 0.896 2.505 ( 3.241 0.000 -2.275) 3.959 2.516 ( 8.805 0.000 4.465) 9.873 2.602 ( -8.271 0.000 1.755) 8.455 2.641 ( 3.996 0.000 -0.222) 4.002 2.692 ( 0.368 0.000 -0.415) 0.555 2.761 ( 4.236 0.000 9.729) 10.612 2.821 ( 4.786 0.000 -6.820) 8.331 2.911 ( -8.931 0.000 0.548) 8.948 3.003 ( 8.331 0.000 -2.143) 8.602 3.095 ( 3.962 0.000 -8.621) 9.488 3.133 ( 5.738 0.000 2.656) 6.323 3.196 ( -1.889 0.000 6.143) 6.426 3.394 ( 4.428 0.000 -1.002) 4.540 3.502 ( -4.954 0.000 0.928) 5.040 3.505 ( 0.030 0.000 11.018) 11.018 3.786 ( 2.187 0.000 -4.337) 4.857 3.963 ( -4.758 0.000 4.244) 6.376 3.974 ( -4.663 0.000 -1.769) 4.987 4.081 ( -9.871 0.000 -0.930) 9.915 4.245 ( 4.059 0.000 -5.119) 6.533 4.342 ( -1.031 0.000 -1.482) 1.805 4.439 ( -0.119 0.000 0.614) 0.625 4.485 ( 6.609 0.000 -4.837) 8.190 4.572 ( -0.319 0.000 4.443) 4.455 4.760 ( -4.210 0.000 -8.469) 9.458 4.855 ( 5.846 0.000 0.085) 5.847 5.068 ( 1.078 0.000 0.091) 1.082 5.162 ( -7.644 0.000 -7.946) 11.026 5.166 ( -4.589 0.000 -7.570) 8.852 5.393 ( 2.241 0.000 -4.565) 5.085 5.432 ( 0.821 0.000 -0.084) 0.825 5.717 ( -5.378 0.000 -4.941) 7.303 5.894 ( 2.811 0.000 0.682) 2.893 6.064 ( -2.103 0.000 7.509) 7.798 6.148 ( -1.191 0.000 -8.264) 8.349 6.601 ( -1.730 0.000 -0.624) 1.839 6.645 ( -2.064 0.000 3.706) 4.242 6.759 ( -1.235 0.000 3.810) 4.005 6.815 ( 4.901 0.000 -1.738) 5.200 7.004 ( -0.346 0.000 -3.399) 3.416 7.213 ( 3.102 0.000 2.350) 3.892 7.263 ( 1.206 0.000 3.651) 3.845 7.411 ( -3.385 0.000 8.584) 9.228 7.591 ( -0.153 0.000 0.266) 0.307 7.793 ( -0.879 0.000 2.167) 2.338 7.833 ( -10.487 0.000 2.101) 10.695 7.938 ( 5.318 0.000 -4.121) 6.728 7.962 ( -3.806 0.000 -0.791) 3.887 8.006 ( -7.251 0.000 -5.939) 9.373 8.156 ( -3.557 0.000 5.179) 6.283 8.250 ( -8.781 0.000 -6.058) 10.668 8.339 ( 6.290 0.000 1.780) 6.537 8.587 ( 2.270 0.000 -5.135) 5.615 8.708 ( 1.232 0.000 -1.469) 1.918 8.767 ( -3.720 0.000 -0.331) 3.735 9.153 ( -2.237 0.000 -0.387) 2.270 9.197 ( 4.788 0.000 -2.336) 5.328 9.416 ( 3.254 0.000 3.096) 4.492 9.493 ( -4.926 0.000 -2.707) 5.620 9.707 ( -3.388 0.000 0.087) 3.389 9.713 ( -0.672 0.000 -3.382) 3.448 9.774 ( 11.381 0.000 -5.089) 12.467 9.901 ( 1.944 0.000 -5.494) 5.828 9.974 ( 2.884 0.000 -4.297) 5.175 10.032 ( 0.298 0.000 2.623) 2.640 10.111 ( 0.201 0.000 -0.261) 0.329 10.336 ( -4.304 0.000 16.727) 17.272 10.362 ( -0.180 0.000 -2.445) 2.452 10.882 ( -11.060 0.000 0.471) 11.070 10.947 ( 0.631 0.000 12.452) 12.468 11.886 ( -1.211 0.000 0.737) 1.418 11.917 ( -2.979 0.000 1.086) 3.171 12.004 ( 5.457 0.000 7.847) 9.558 12.074 ( -1.946 0.000 -1.913) 2.729 12.200 ( 4.604 0.000 1.275) 4.777 12.253 ( 2.295 0.000 -0.751) 2.415 12.465 ( -0.096 0.000 -1.635) 1.638 12.468 ( 0.053 0.000 -8.490) 8.490 12.808 ( 0.010 0.000 -2.959) 2.959 12.907 ( -0.172 0.000 -0.406) 0.441 13.121 ( -0.978 0.000 3.469) 3.604 13.134 ( -1.516 0.000 -1.081) 1.862 13.187 ( 0.361 0.000 -0.141) 0.388 13.485 ( 0.963 0.000 -3.604) 3.730 13.811 ( -0.359 0.000 -3.370) 3.389 14.170 ( -0.605 0.000 2.549) 2.620 14.739 ( 7.873 0.000 1.203) 7.965 15.824 ( 0.874 0.000 0.431) 0.974 16.042 ( -2.977 0.000 -5.367) 6.137 16.220 ( -0.783 0.000 -4.555) 4.622 16.491 ( 10.982 0.000 -1.387) 11.069 ======================= Grid point 52 (23/96) ======================= q-point: (-0.22 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -19.445 0.000 2.880) 19.657 0.914 ( -19.925 0.000 9.511) 22.079 1.221 ( -12.460 0.000 15.805) 20.126 1.463 ( -23.077 0.000 4.733) 23.557 1.480 ( -6.794 0.000 0.663) 6.827 1.555 ( -6.243 0.000 2.487) 6.720 1.834 ( 1.016 0.000 5.644) 5.735 1.848 ( 2.829 0.000 7.462) 7.980 1.912 ( -4.034 0.000 2.665) 4.835 1.956 ( 1.912 0.000 2.715) 3.321 1.993 ( -3.828 0.000 2.511) 4.578 2.041 ( 0.374 0.000 2.967) 2.990 2.061 ( -3.540 0.000 6.452) 7.360 2.118 ( -3.230 0.000 -3.040) 4.436 2.295 ( 0.921 0.000 8.647) 8.696 2.363 ( 5.207 0.000 1.653) 5.463 2.443 ( 2.810 0.000 1.825) 3.351 2.510 ( -3.327 0.000 2.034) 3.899 2.596 ( 6.788 0.000 -3.004) 7.423 2.633 ( 3.136 0.000 -4.087) 5.152 2.714 ( -1.200 0.000 1.721) 2.098 2.751 ( 6.720 0.000 0.559) 6.743 2.821 ( -2.873 0.000 5.988) 6.641 2.888 ( 7.439 0.000 -7.639) 10.663 2.904 ( 3.066 0.000 10.996) 11.416 3.060 ( -2.258 0.000 -5.138) 5.612 3.097 ( 3.583 0.000 -2.722) 4.500 3.237 ( 5.756 0.000 -1.443) 5.935 3.292 ( 7.365 0.000 5.668) 9.294 3.420 ( -2.628 0.000 -0.653) 2.708 3.520 ( 4.399 0.000 2.238) 4.936 3.562 ( 1.819 0.000 6.708) 6.951 3.755 ( -12.822 0.000 1.710) 12.935 3.802 ( 3.134 0.000 -2.804) 4.206 3.967 ( 4.310 0.000 -1.021) 4.429 4.052 ( 1.042 0.000 3.280) 3.441 4.266 ( 0.628 0.000 -3.344) 3.402 4.338 ( -1.165 0.000 -1.149) 1.636 4.381 ( -4.337 0.000 4.006) 5.904 4.566 ( 4.186 0.000 -4.916) 6.457 4.566 ( -1.532 0.000 -0.664) 1.669 4.646 ( -5.043 0.000 -2.714) 5.727 4.888 ( -1.086 0.000 -1.987) 2.264 4.924 ( -10.670 0.000 -3.354) 11.185 5.030 ( -2.973 0.000 -4.597) 5.474 5.085 ( -0.182 0.000 -4.799) 4.802 5.454 ( 1.070 0.000 -2.348) 2.581 5.459 ( 1.767 0.000 -0.364) 1.804 5.625 ( 0.993 0.000 -4.546) 4.653 5.934 ( 1.595 0.000 -1.630) 2.280 6.044 ( -4.080 0.000 4.687) 6.213 6.105 ( -0.701 0.000 -3.410) 3.481 6.517 ( -6.970 0.000 1.114) 7.058 6.600 ( -4.462 0.000 3.052) 5.406 6.791 ( 2.294 0.000 4.353) 4.920 6.880 ( 2.142 0.000 -1.840) 2.824 6.965 ( -1.231 0.000 -4.720) 4.878 7.216 ( -2.762 0.000 -1.602) 3.193 7.285 ( -0.710 0.000 4.900) 4.951 7.417 ( -0.281 0.000 5.600) 5.607 7.431 ( -22.245 0.000 6.283) 23.115 7.650 ( 0.200 0.000 2.150) 2.160 7.816 ( -1.877 0.000 -8.067) 8.282 7.887 ( -1.990 0.000 -5.875) 6.203 7.927 ( 2.054 0.000 0.098) 2.057 8.004 ( 0.680 0.000 1.991) 2.104 8.108 ( -3.637 0.000 -2.160) 4.231 8.126 ( -0.548 0.000 3.984) 4.022 8.515 ( 8.568 0.000 9.951) 13.131 8.601 ( 1.602 0.000 -1.058) 1.920 8.702 ( 0.895 0.000 -7.166) 7.221 8.740 ( 0.334 0.000 3.054) 3.072 9.019 ( -7.368 0.000 -4.970) 8.888 9.221 ( -4.616 0.000 2.531) 5.265 9.495 ( 7.823 0.000 -6.088) 9.912 9.501 ( 1.447 0.000 0.394) 1.499 9.625 ( -1.451 0.000 2.388) 2.794 9.732 ( 2.783 0.000 1.080) 2.985 9.872 ( -0.349 0.000 -7.612) 7.620 9.937 ( 6.110 0.000 -2.353) 6.548 10.036 ( 5.541 0.000 -0.628) 5.577 10.104 ( 6.313 0.000 3.505) 7.221 10.145 ( 1.524 0.000 3.336) 3.668 10.339 ( -0.836 0.000 -2.289) 2.437 10.387 ( -0.213 0.000 14.243) 14.244 10.710 ( -8.367 0.000 0.869) 8.412 11.014 ( -0.713 0.000 11.071) 11.094 11.831 ( -4.234 0.000 3.079) 5.235 11.880 ( -1.667 0.000 0.867) 1.879 12.016 ( -2.169 0.000 -1.462) 2.616 12.149 ( 4.315 0.000 2.323) 4.901 12.265 ( 0.877 0.000 -0.425) 0.975 12.265 ( 1.503 0.000 -3.621) 3.920 12.446 ( 1.486 0.000 -3.572) 3.869 12.446 ( -0.529 0.000 -1.497) 1.588 12.777 ( -1.435 0.000 -1.099) 1.808 12.903 ( -0.300 0.000 -0.991) 1.036 13.118 ( -0.537 0.000 1.328) 1.433 13.126 ( 0.763 0.000 1.457) 1.644 13.203 ( 1.194 0.000 0.640) 1.355 13.462 ( -1.241 0.000 -4.098) 4.282 13.785 ( -0.439 0.000 -3.309) 3.338 14.175 ( -0.304 0.000 2.271) 2.292 14.903 ( 8.592 0.000 0.728) 8.622 15.845 ( 0.995 0.000 0.516) 1.121 15.953 ( -3.367 0.000 -4.778) 5.845 16.165 ( -1.925 0.000 -7.688) 7.926 16.704 ( 12.491 0.000 -3.433) 12.955 ======================= Grid point 53 (24/96) ======================= q-point: (-0.11 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.509 ( -18.322 0.000 9.900) 20.826 0.583 ( -21.059 0.000 11.657) 24.070 0.980 ( -27.407 0.000 25.919) 37.722 1.090 ( -10.400 0.000 17.309) 20.193 1.426 ( -1.355 0.000 2.192) 2.577 1.562 ( 0.700 0.000 -1.555) 1.706 1.888 ( -1.678 0.000 7.557) 7.741 1.901 ( 3.386 0.000 2.649) 4.299 1.933 ( 1.234 0.000 6.008) 6.133 1.978 ( -0.265 0.000 1.944) 1.962 1.991 ( -3.205 0.000 -1.184) 3.417 1.999 ( -2.469 0.000 7.350) 7.754 2.085 ( 2.368 0.000 1.947) 3.066 2.086 ( 2.605 0.000 3.152) 4.089 2.361 ( 0.588 0.000 11.038) 11.053 2.440 ( 1.761 0.000 1.067) 2.059 2.457 ( -4.009 0.000 3.238) 5.153 2.529 ( 3.287 0.000 2.865) 4.360 2.629 ( -1.336 0.000 -3.225) 3.491 2.640 ( -3.611 0.000 -0.457) 3.639 2.676 ( 3.579 0.000 -2.298) 4.253 2.824 ( -1.211 0.000 -0.873) 1.493 2.835 ( 0.291 0.000 4.756) 4.765 2.973 ( 7.306 0.000 -7.769) 10.665 3.013 ( 2.944 0.000 9.585) 10.027 3.082 ( -3.419 0.000 1.547) 3.752 3.093 ( 7.939 0.000 -0.281) 7.944 3.286 ( -4.222 0.000 -5.804) 7.177 3.369 ( 2.929 0.000 3.367) 4.463 3.465 ( 2.329 0.000 7.461) 7.816 3.571 ( -3.985 0.000 -2.504) 4.706 3.615 ( 5.202 0.000 -1.137) 5.324 3.667 ( 3.791 0.000 3.933) 5.463 3.917 ( 8.884 0.000 1.761) 9.057 4.038 ( 2.246 0.000 -3.771) 4.389 4.079 ( -0.396 0.000 -0.516) 0.651 4.210 ( -7.688 0.000 -3.075) 8.281 4.232 ( -2.176 0.000 -2.298) 3.165 4.403 ( -1.917 0.000 5.240) 5.580 4.524 ( -4.622 0.000 2.898) 5.455 4.558 ( 0.623 0.000 3.920) 3.969 4.620 ( 5.388 0.000 -0.384) 5.402 4.775 ( -4.138 0.000 3.642) 5.512 4.833 ( -2.867 0.000 -3.155) 4.264 5.052 ( 0.695 0.000 -4.753) 4.803 5.097 ( 12.736 0.000 13.426) 18.505 5.393 ( -3.462 0.000 -1.953) 3.975 5.479 ( 0.814 0.000 -1.756) 1.936 5.690 ( 6.000 0.000 -4.977) 7.795 5.932 ( -0.040 0.000 -4.879) 4.880 5.972 ( -4.543 0.000 2.097) 5.004 6.060 ( -3.869 0.000 1.296) 4.081 6.388 ( -7.748 0.000 3.917) 8.681 6.538 ( -2.318 0.000 -0.187) 2.325 6.826 ( -10.349 0.000 3.089) 10.800 6.867 ( 2.656 0.000 -0.280) 2.670 6.925 ( 0.456 0.000 -1.984) 2.036 7.013 ( -12.167 0.000 2.828) 12.491 7.243 ( -0.206 0.000 -3.381) 3.388 7.309 ( 0.200 0.000 4.923) 4.927 7.442 ( -0.105 0.000 3.565) 3.567 7.662 ( -0.231 0.000 -3.839) 3.846 7.786 ( 2.822 0.000 -0.024) 2.822 7.790 ( -6.093 0.000 -10.319) 11.983 7.946 ( 0.298 0.000 -2.480) 2.497 7.984 ( -3.320 0.000 6.443) 7.248 8.099 ( 0.985 0.000 4.327) 4.438 8.191 ( 4.524 0.000 -3.017) 5.438 8.616 ( -4.910 0.000 4.907) 6.942 8.644 ( 2.441 0.000 3.173) 4.003 8.714 ( 5.219 0.000 -1.831) 5.531 8.871 ( -4.541 0.000 -3.949) 6.018 8.899 ( 13.933 0.000 0.715) 13.952 9.160 ( -3.687 0.000 4.369) 5.717 9.436 ( -6.370 0.000 2.105) 6.709 9.585 ( 4.854 0.000 -9.344) 10.530 9.696 ( 3.230 0.000 -0.721) 3.310 9.764 ( -0.224 0.000 -4.151) 4.157 9.866 ( 3.839 0.000 -0.008) 3.839 9.991 ( 0.915 0.000 -2.260) 2.438 10.155 ( 4.846 0.000 3.727) 6.113 10.183 ( 0.788 0.000 2.435) 2.559 10.259 ( 3.253 0.000 3.881) 5.063 10.345 ( 5.502 0.000 10.213) 11.600 10.460 ( 0.085 0.000 11.884) 11.884 10.588 ( -2.168 0.000 0.342) 2.195 11.029 ( -3.613 0.000 8.340) 9.089 11.770 ( -4.059 0.000 2.566) 4.802 11.843 ( -2.327 0.000 -1.576) 2.811 12.014 ( 1.904 0.000 2.021) 2.776 12.154 ( -1.109 0.000 -6.281) 6.378 12.227 ( -2.747 0.000 -1.601) 3.179 12.289 ( 1.678 0.000 -3.715) 4.076 12.445 ( 0.505 0.000 0.285) 0.580 12.507 ( 5.490 0.000 4.138) 6.875 12.753 ( -1.045 0.000 -1.262) 1.638 12.879 ( -1.818 0.000 -0.335) 1.848 13.113 ( -0.813 0.000 1.191) 1.442 13.178 ( 3.371 0.000 1.217) 3.584 13.230 ( 0.675 0.000 0.122) 0.686 13.401 ( -2.398 0.000 -4.210) 4.845 13.761 ( -0.043 0.000 -3.599) 3.599 14.183 ( -0.248 0.000 2.766) 2.777 15.031 ( 4.484 0.000 -2.247) 5.016 15.861 ( 0.442 0.000 0.125) 0.459 15.887 ( -0.956 0.000 -2.081) 2.290 16.047 ( -5.689 0.000 -8.483) 10.214 16.877 ( 8.265 0.000 -7.232) 10.982 ======================= Grid point 54 (25/96) ======================= q-point: ( 0.00 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.590 ( -6.964 17.127 12.772) 22.471 0.643 ( 2.503 13.411 17.754) 22.390 0.995 ( -5.399 -3.664 19.003) 20.092 1.049 ( 2.966 17.313 26.027) 31.399 1.275 ( -3.272 -14.764 3.988) 15.639 1.554 ( 0.917 -1.848 -1.275) 2.425 1.866 ( -2.472 -0.114 -0.658) 2.561 1.928 ( -1.816 1.909 4.569) 5.275 1.944 ( 0.926 -1.840 2.624) 3.336 1.969 ( -1.637 -0.949 5.406) 5.728 1.993 ( -1.301 0.516 3.763) 4.014 2.045 ( -0.675 -0.074 7.516) 7.547 2.149 ( 2.475 1.011 3.678) 4.546 2.179 ( -0.176 -1.190 5.192) 5.330 2.348 ( -3.392 -2.847 4.148) 6.068 2.408 ( -1.045 -6.070 0.305) 6.167 2.444 ( -0.309 1.700 7.170) 7.375 2.495 ( -0.511 3.477 1.463) 3.806 2.626 ( 1.276 2.145 -3.919) 4.646 2.696 ( 1.158 0.562 6.898) 7.017 2.708 ( 1.201 -0.495 -0.866) 1.562 2.773 ( -1.471 -0.513 -0.394) 1.607 2.806 ( 2.232 -1.667 0.077) 2.787 2.944 ( 1.279 -6.291 2.751) 6.984 3.008 ( -3.313 -1.461 7.905) 8.695 3.116 ( 4.701 -2.012 2.574) 5.725 3.189 ( -6.354 -0.117 -0.160) 6.357 3.274 ( -6.189 -1.815 -2.466) 6.905 3.356 ( 2.219 0.844 -1.146) 2.636 3.376 ( -1.132 1.449 -0.036) 1.839 3.513 ( -0.311 -6.598 -3.642) 7.543 3.695 ( 2.906 -0.856 -1.496) 3.379 3.791 ( -1.679 -1.269 0.305) 2.127 3.902 ( -2.001 2.380 5.567) 6.376 3.993 ( -0.649 1.501 -3.809) 4.145 4.146 ( -1.247 2.511 -2.891) 4.027 4.188 ( 0.013 1.125 -2.678) 2.905 4.220 ( 3.311 -0.367 6.046) 6.902 4.358 ( -3.720 7.006 -1.128) 8.012 4.491 ( -3.254 6.007 -0.887) 6.889 4.647 ( 1.616 -4.828 -4.507) 6.800 4.715 ( 6.480 1.839 -0.756) 6.778 4.756 ( 0.512 -2.474 0.970) 2.707 4.852 ( 0.837 -2.748 -1.105) 3.078 5.152 ( 17.144 2.687 20.417) 26.795 5.436 ( 3.217 3.377 1.405) 4.872 5.480 ( 5.572 1.469 -0.978) 5.845 5.649 ( 12.080 1.077 -2.118) 12.311 5.767 ( 4.941 -8.534 0.475) 9.873 5.791 ( 13.314 -2.244 -2.107) 13.665 6.023 ( -2.201 1.935 1.444) 3.267 6.059 ( 7.085 1.916 0.610) 7.365 6.315 ( -3.182 2.818 1.897) 4.655 6.471 ( -1.213 -3.262 -0.988) 3.618 6.607 ( -15.123 -0.565 11.272) 18.870 6.845 ( -17.834 -0.673 2.412) 18.009 6.925 ( 0.599 -0.168 -1.433) 1.562 7.025 ( 1.455 6.554 -2.888) 7.308 7.119 ( -19.113 -15.189 8.446) 25.833 7.263 ( -4.481 -3.831 -0.298) 5.903 7.358 ( -1.420 2.729 3.258) 4.481 7.440 ( -1.402 -4.467 5.051) 6.887 7.697 ( -1.280 6.354 -3.023) 7.152 7.846 ( -0.319 -1.477 -0.434) 1.572 7.966 ( 4.950 2.581 4.692) 7.292 8.061 ( 1.073 7.183 0.424) 7.275 8.164 ( 0.572 3.656 1.105) 3.861 8.259 ( 4.033 3.176 1.724) 5.415 8.363 ( -6.339 -18.657 4.660) 20.248 8.512 ( -3.446 -8.844 12.021) 15.317 8.760 ( 1.664 -3.018 2.916) 4.514 8.815 ( 5.914 -3.630 2.875) 7.512 9.066 ( 0.561 4.100 -0.431) 4.160 9.193 ( 4.158 6.426 3.558) 8.441 9.215 ( -7.116 -1.661 2.856) 7.845 9.567 ( 0.864 1.676 -5.598) 5.907 9.718 ( 0.433 -1.591 -4.222) 4.533 9.728 ( 3.569 -0.881 3.325) 4.957 9.803 ( 6.685 -21.214 6.154) 23.078 9.961 ( 4.255 -0.951 5.651) 7.138 10.090 ( 0.158 -8.196 4.246) 9.232 10.126 ( -3.143 -8.012 4.862) 9.885 10.322 ( -0.247 3.539 0.740) 3.624 10.403 ( 1.344 -3.516 11.944) 12.523 10.499 ( -2.446 -0.374 6.932) 7.360 10.695 ( 9.977 -21.306 21.396) 31.801 10.916 ( -6.295 -2.544 3.458) 7.620 11.037 ( -9.167 -15.338 15.593) 23.716 11.752 ( -2.417 2.269 -0.899) 3.435 11.816 ( -0.305 1.432 -1.846) 2.356 12.100 ( 0.542 -4.824 3.169) 5.797 12.148 ( 1.922 -2.296 -2.111) 3.663 12.199 ( 0.558 -0.011 -0.728) 0.917 12.292 ( 0.689 -0.699 -3.367) 3.507 12.630 ( 0.914 0.360 -0.983) 1.390 12.665 ( 0.317 -0.383 -0.063) 0.501 12.879 ( 0.466 1.434 1.273) 1.973 12.984 ( -0.208 -4.970 1.621) 5.232 13.394 ( 1.172 3.531 -3.809) 5.325 13.417 ( -0.706 17.193 2.214) 17.349 13.614 ( 0.559 -6.446 -5.401) 8.428 13.870 ( -0.402 0.045 -0.433) 0.593 14.477 ( -2.978 22.095 -12.046) 25.341 14.962 ( -2.641 -6.491 -5.916) 9.171 15.908 ( 3.147 1.581 -0.018) 3.522 15.981 ( 1.542 -1.096 -0.839) 2.070 16.403 ( 4.528 29.237 -23.529) 37.801 16.869 ( -0.300 -3.927 -11.984) 12.614 ======================= Grid point 55 (26/96) ======================= q-point: ( 0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 9.767 8.314 12.207) 17.706 0.837 ( 7.055 6.779 19.927) 22.199 1.064 ( 0.812 -4.089 18.767) 19.225 1.248 ( 0.142 -15.762 4.535) 16.402 1.403 ( 17.640 12.741 16.100) 27.069 1.571 ( 1.621 2.478 -0.975) 3.117 1.825 ( -1.714 1.337 1.293) 2.530 1.919 ( -4.047 -1.293 3.812) 5.708 1.926 ( -1.224 0.332 4.197) 4.384 1.970 ( -1.533 4.955 2.537) 5.774 2.015 ( 1.615 0.146 2.563) 3.033 2.081 ( -0.988 -0.568 8.269) 8.347 2.133 ( -3.439 2.642 7.174) 8.383 2.238 ( 0.892 -0.025 4.439) 4.528 2.343 ( 0.647 -4.688 3.765) 6.048 2.395 ( -1.019 1.116 -0.719) 1.674 2.449 ( -2.014 -2.307 1.884) 3.596 2.487 ( -2.216 0.226 7.966) 8.272 2.626 ( 0.346 0.961 -1.429) 1.756 2.704 ( -5.778 -0.845 0.879) 5.905 2.715 ( -1.248 -2.882 2.047) 3.749 2.727 ( -0.756 0.295 -2.170) 2.317 2.853 ( 0.409 0.214 2.463) 2.506 2.928 ( -4.660 -0.914 0.125) 4.751 2.981 ( -1.443 -0.109 2.549) 2.932 3.072 ( -3.455 -10.500 3.391) 11.562 3.137 ( -2.288 -2.340 4.977) 5.957 3.240 ( 3.726 -3.131 4.011) 6.307 3.370 ( -1.272 -0.190 3.870) 4.078 3.424 ( -1.941 0.115 -4.399) 4.809 3.458 ( -0.941 1.608 -1.400) 2.330 3.665 ( -2.674 -8.407 -4.101) 9.728 3.741 ( -2.796 6.048 0.843) 6.716 3.839 ( -4.527 -2.093 1.666) 5.259 4.019 ( 2.057 4.253 1.223) 4.880 4.108 ( -3.860 0.876 1.281) 4.161 4.184 ( 1.326 1.309 -5.520) 5.826 4.263 ( 1.331 -3.720 3.999) 5.621 4.396 ( 5.032 7.828 -0.211) 9.308 4.444 ( 1.075 8.983 -0.159) 9.048 4.628 ( -0.370 -4.404 -3.337) 5.538 4.774 ( 4.437 -3.162 0.564) 5.478 4.832 ( 4.270 0.826 -3.541) 5.608 4.899 ( 2.988 -0.589 -4.592) 5.510 5.420 ( 4.275 1.732 0.326) 4.624 5.453 ( -1.953 3.685 -1.973) 4.614 5.510 ( -0.654 -1.501 9.310) 9.453 5.616 ( -5.166 -2.514 -2.551) 6.287 5.821 ( 1.455 2.524 -1.682) 3.364 5.946 ( -1.445 -0.123 0.070) 1.452 6.104 ( 4.492 1.706 11.436) 12.404 6.291 ( -9.429 -0.836 11.460) 14.864 6.378 ( -1.610 6.175 9.216) 11.210 6.477 ( 10.913 -4.916 0.331) 11.973 6.524 ( 12.713 -4.343 -3.946) 14.002 6.604 ( 6.105 -1.033 2.383) 6.634 6.963 ( 3.009 1.531 -2.705) 4.326 7.054 ( 5.407 6.147 -0.639) 8.212 7.076 ( -0.461 -4.508 -5.988) 7.509 7.236 ( 1.717 1.275 -5.104) 5.534 7.362 ( 1.280 2.722 3.096) 4.317 7.456 ( 0.391 -5.519 3.118) 6.351 7.671 ( 0.133 5.320 0.527) 5.347 7.831 ( -0.869 -1.158 -0.900) 1.705 8.033 ( 0.204 2.310 0.497) 2.372 8.099 ( 3.673 3.165 -1.750) 5.154 8.175 ( 1.148 0.177 -0.906) 1.473 8.332 ( 2.163 -3.804 1.480) 4.619 8.385 ( 3.711 6.653 9.890) 12.484 8.544 ( -2.376 -7.198 13.048) 15.090 8.845 ( 4.540 -3.280 4.464) 7.162 8.961 ( 7.865 -4.823 1.560) 9.357 9.046 ( -1.749 6.069 -0.369) 6.327 9.124 ( -2.529 2.803 5.503) 6.673 9.353 ( 7.149 3.340 -1.035) 7.958 9.490 ( -2.009 6.714 -8.349) 10.900 9.638 ( -7.185 2.484 -2.275) 7.935 9.704 ( -0.318 -0.375 -3.080) 3.119 9.966 ( -0.930 -7.023 3.082) 7.726 10.036 ( 0.458 -6.062 1.946) 6.383 10.046 ( -2.713 -9.581 1.708) 10.103 10.146 ( 2.282 -11.004 3.055) 11.646 10.263 ( -3.590 6.469 6.131) 9.609 10.480 ( -2.411 -4.357 10.953) 12.031 10.540 ( 3.558 4.350 11.348) 12.663 10.781 ( -8.882 -3.445 5.727) 11.115 10.844 ( -6.092 -0.452 1.506) 6.292 11.266 ( 18.063 -44.613 17.316) 51.151 11.740 ( 2.971 -2.778 -3.097) 5.113 11.808 ( 0.413 -0.469 -1.386) 1.520 12.133 ( -1.254 4.115 -3.895) 5.803 12.159 ( 2.551 -5.445 2.511) 6.516 12.228 ( 0.890 -3.168 -2.176) 3.945 12.292 ( 1.512 -3.879 1.421) 4.399 12.635 ( 0.622 1.817 -0.803) 2.081 12.673 ( 0.683 -0.503 -0.405) 0.940 12.900 ( 0.671 -0.258 0.722) 1.019 12.985 ( -0.734 -4.670 1.965) 5.119 13.399 ( 0.141 7.410 -2.134) 7.712 13.415 ( 0.626 14.148 0.142) 14.162 13.586 ( -0.432 -0.808 -5.226) 5.306 13.830 ( -2.461 5.933 -1.197) 6.533 14.318 ( -6.011 15.544 -4.012) 17.142 14.830 ( -6.819 -7.467 -6.853) 12.216 15.960 ( 0.547 5.610 -1.678) 5.881 16.021 ( 3.710 1.056 1.759) 4.240 16.308 ( -1.448 13.513 -11.619) 17.880 16.715 ( -7.950 -5.208 -11.968) 15.283 ======================= Grid point 56 (27/96) ======================= q-point: ( 0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 15.052 3.521 8.530) 17.655 1.097 ( 9.531 3.849 16.634) 19.554 1.204 ( 3.991 -3.285 15.572) 16.407 1.363 ( 8.291 -10.476 6.217) 14.736 1.630 ( 6.184 3.323 2.508) 7.455 1.720 ( 7.408 -1.137 2.078) 7.778 1.824 ( -1.223 3.210 5.410) 6.408 1.870 ( -3.510 -0.815 4.708) 5.929 1.897 ( -2.111 3.034 2.405) 4.410 2.015 ( 1.302 4.871 4.062) 6.474 2.032 ( 1.759 1.019 1.858) 2.754 2.098 ( -1.805 -0.161 7.724) 7.933 2.133 ( -1.376 1.601 7.325) 7.623 2.256 ( -0.946 3.069 2.463) 4.047 2.324 ( -7.524 -1.522 -0.145) 7.678 2.378 ( -2.104 -2.190 7.560) 8.147 2.417 ( 0.903 -3.619 -3.618) 5.197 2.467 ( -4.125 -0.718 1.680) 4.511 2.576 ( -3.236 -0.997 6.163) 7.032 2.605 ( -4.990 1.174 -4.522) 6.836 2.694 ( -0.575 -2.039 5.583) 5.972 2.727 ( 1.179 -1.919 -3.006) 3.756 2.840 ( -1.909 1.066 3.513) 4.138 2.854 ( -3.469 6.102 1.829) 7.254 2.955 ( -1.581 -3.196 -0.154) 3.569 3.057 ( -8.133 1.348 -2.899) 8.738 3.104 ( -4.298 0.515 4.353) 6.139 3.276 ( 1.817 -10.277 5.877) 11.977 3.338 ( -3.102 -3.466 3.434) 5.782 3.364 ( -4.015 -6.266 2.029) 7.714 3.451 ( 2.864 3.604 1.265) 4.774 3.648 ( -3.851 -0.608 -1.717) 4.260 3.668 ( 1.206 1.175 -0.130) 1.688 3.836 ( 3.468 -7.273 1.072) 8.128 4.031 ( -4.720 2.726 5.095) 7.461 4.066 ( 2.638 1.386 3.266) 4.422 4.213 ( 3.872 3.674 -4.861) 7.219 4.325 ( 3.094 -2.780 0.272) 4.168 4.442 ( 2.019 3.592 -1.254) 4.307 4.512 ( 1.516 7.493 -0.475) 7.660 4.629 ( 2.048 0.946 1.031) 2.480 4.804 ( -3.390 2.338 -7.604) 8.647 4.871 ( 2.226 -2.431 -2.158) 3.940 4.900 ( 3.134 -1.411 -5.724) 6.676 5.380 ( -2.542 2.521 -4.174) 5.499 5.432 ( -7.467 0.935 -2.857) 8.050 5.522 ( -1.348 -2.059 4.970) 5.546 5.542 ( 4.298 -3.165 -1.688) 5.598 5.813 ( -0.852 0.165 -1.058) 1.369 5.897 ( -2.811 -2.643 2.473) 4.583 6.127 ( -3.174 2.252 14.647) 15.155 6.282 ( 1.410 -2.404 7.065) 7.595 6.458 ( 3.367 3.083 -1.102) 4.696 6.537 ( 2.338 -0.577 1.845) 3.033 6.690 ( 4.635 3.058 0.641) 5.590 6.880 ( 8.426 -3.710 0.971) 9.257 6.956 ( -3.898 -0.633 -11.620) 12.273 6.959 ( -2.284 -0.932 -6.716) 7.154 7.238 ( -0.285 3.265 0.157) 3.281 7.283 ( 18.258 6.517 -0.280) 19.389 7.430 ( 3.185 5.962 3.444) 7.586 7.508 ( 5.076 -1.653 -0.877) 5.409 7.732 ( 5.554 1.501 0.981) 5.836 7.806 ( -0.801 1.300 -0.732) 1.693 8.040 ( 0.923 1.624 1.044) 2.140 8.122 ( 0.711 -7.050 -3.269) 7.804 8.235 ( 3.744 3.643 4.049) 6.609 8.413 ( 2.342 -0.054 3.941) 4.585 8.463 ( 1.142 6.320 5.553) 8.490 8.551 ( -1.943 -2.253 6.328) 6.992 8.904 ( -2.734 -4.131 3.187) 5.891 8.986 ( -2.414 -0.406 -0.246) 2.460 9.072 ( 4.692 5.782 -1.611) 7.619 9.248 ( 7.924 2.344 2.931) 8.768 9.329 ( -0.911 -1.571 -6.596) 6.841 9.425 ( -7.243 8.373 -2.111) 11.270 9.545 ( 0.441 -0.494 -0.357) 0.752 9.701 ( 2.491 1.535 -3.609) 4.646 9.915 ( -3.562 -3.404 -0.321) 4.938 9.956 ( -3.573 -3.206 -0.622) 4.841 10.033 ( -4.214 -4.141 0.165) 5.911 10.170 ( 1.789 -6.830 -1.328) 7.184 10.338 ( 3.041 -2.090 11.217) 11.808 10.477 ( -5.315 -5.033 13.396) 15.265 10.559 ( -10.499 3.384 13.124) 17.145 10.677 ( -6.621 -2.524 1.589) 7.262 10.853 ( 10.647 8.226 5.513) 14.541 11.552 ( 6.608 -23.361 4.243) 24.646 11.795 ( 2.753 -3.883 -3.940) 6.179 11.868 ( 7.734 -13.067 1.410) 15.250 12.046 ( -5.087 6.431 -4.470) 9.339 12.189 ( -1.139 -2.402 2.098) 3.386 12.204 ( -0.512 -1.713 -3.668) 4.080 12.350 ( 1.782 -8.630 1.844) 9.003 12.644 ( 1.003 2.029 -1.388) 2.655 12.696 ( 2.262 -1.470 -1.048) 2.894 12.896 ( -1.401 -1.054 -0.225) 1.767 12.975 ( -1.589 -5.163 2.101) 5.797 13.383 ( -0.447 13.201 -0.288) 13.212 13.436 ( 1.794 9.790 -2.018) 10.155 13.545 ( -1.329 5.915 -3.551) 7.026 13.798 ( 0.042 4.414 -1.673) 4.720 14.233 ( -2.934 5.579 1.026) 6.386 14.669 ( -6.326 -8.440 -5.349) 11.826 15.925 ( -1.967 9.500 -2.284) 9.966 16.107 ( 3.604 -1.063 1.591) 4.080 16.253 ( 0.006 3.397 -5.282) 6.280 16.496 ( -8.381 -5.299 -8.976) 13.375 ======================= Grid point 57 (28/96) ======================= q-point: ( 0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 11.284 1.221 9.092) 14.543 1.342 ( 7.267 1.083 12.544) 14.537 1.392 ( 9.239 1.704 9.733) 13.527 1.567 ( 10.079 -3.971 4.388) 11.687 1.754 ( -5.117 0.973 7.493) 9.126 1.798 ( -6.052 -0.936 7.474) 9.662 1.824 ( 1.996 -0.035 0.574) 2.077 1.849 ( 12.043 -1.294 3.164) 12.519 1.915 ( 1.471 2.928 -0.311) 3.291 2.040 ( 2.662 -1.385 0.990) 3.160 2.079 ( -1.180 -0.196 6.225) 6.339 2.084 ( -3.309 0.555 3.977) 5.204 2.123 ( -4.915 -2.173 5.392) 7.613 2.166 ( -6.903 3.321 0.902) 7.713 2.225 ( -1.955 0.714 0.057) 2.082 2.330 ( -5.799 2.477 1.478) 6.477 2.369 ( -8.271 0.812 3.419) 8.986 2.418 ( -0.782 -2.716 -0.995) 2.996 2.507 ( -2.566 0.669 -3.279) 4.217 2.596 ( 1.959 -2.844 2.355) 4.180 2.683 ( -3.612 -1.894 -1.142) 4.235 2.699 ( -4.478 -2.322 -0.143) 5.046 2.768 ( -11.597 4.066 -1.281) 12.356 2.813 ( -2.675 3.072 5.337) 6.714 2.894 ( 1.148 3.245 3.812) 5.136 2.962 ( -1.550 -1.902 1.479) 2.865 3.038 ( -2.763 -3.270 0.168) 4.285 3.231 ( -5.385 -6.727 2.593) 8.999 3.335 ( 1.836 -1.413 7.093) 7.462 3.440 ( -0.563 2.679 7.547) 8.028 3.489 ( 2.922 1.677 0.316) 3.384 3.623 ( 4.582 -7.501 -0.330) 8.796 3.739 ( 5.711 1.467 -1.953) 6.212 3.906 ( 2.126 -1.312 0.103) 2.500 4.023 ( 0.864 -0.093 3.729) 3.829 4.174 ( 5.544 -1.634 7.701) 9.629 4.226 ( -1.075 2.529 -3.892) 4.764 4.333 ( -1.959 -1.850 -2.128) 3.433 4.439 ( -3.888 5.446 -2.970) 7.321 4.521 ( -2.574 -0.416 -1.944) 3.252 4.580 ( 1.139 2.109 -2.539) 3.492 4.729 ( -5.507 -4.463 -8.309) 10.922 4.831 ( 2.871 3.611 -1.701) 4.917 4.972 ( 3.526 -2.339 -2.538) 4.934 5.260 ( -6.762 6.853 -1.678) 9.772 5.343 ( -0.344 2.296 -3.401) 4.117 5.518 ( 0.060 -0.752 0.774) 1.081 5.639 ( 4.421 -4.988 -0.551) 6.688 5.782 ( -2.013 0.144 1.058) 2.279 5.887 ( 0.217 -2.015 0.156) 2.033 6.164 ( -1.038 1.485 6.450) 6.700 6.345 ( 2.000 -5.913 -0.488) 6.261 6.509 ( 4.195 3.331 -1.342) 5.522 6.607 ( 3.700 0.634 0.264) 3.764 6.721 ( -1.287 3.116 -2.209) 4.030 6.797 ( -3.540 0.782 -6.886) 7.782 6.914 ( -0.517 -2.133 -1.672) 2.759 6.931 ( -0.925 -2.851 2.261) 3.755 7.222 ( -1.546 3.740 2.271) 4.641 7.407 ( -0.934 -3.427 3.731) 5.152 7.565 ( 4.224 6.783 -0.806) 8.031 7.688 ( 9.936 5.615 -0.145) 11.414 7.796 ( 4.141 -4.043 1.537) 5.988 7.870 ( 6.703 5.940 -2.979) 9.439 8.079 ( 1.827 2.241 0.689) 2.973 8.119 ( 1.377 -6.158 -1.440) 6.472 8.316 ( 1.255 3.373 4.807) 6.005 8.374 ( -5.858 2.491 3.544) 7.286 8.520 ( 0.159 5.550 1.654) 5.793 8.600 ( 5.781 -6.222 1.082) 8.561 8.828 ( -4.569 -2.168 -0.347) 5.069 8.915 ( -4.831 0.640 -1.224) 5.025 9.119 ( -0.907 9.612 -4.589) 10.690 9.203 ( -1.889 1.958 -5.288) 5.947 9.328 ( -0.091 5.936 3.245) 6.765 9.484 ( 9.237 -5.026 -1.211) 10.585 9.551 ( 0.798 -0.498 -0.938) 1.329 9.737 ( 3.213 1.565 -5.591) 6.636 9.837 ( -4.347 -3.583 -1.635) 5.866 9.906 ( -1.250 -2.049 -2.647) 3.573 9.950 ( -3.574 1.977 0.268) 4.093 10.196 ( 1.118 -8.300 -1.775) 8.561 10.331 ( -10.074 0.794 8.708) 13.340 10.425 ( -6.801 -4.500 5.590) 9.888 10.497 ( -3.074 0.129 14.480) 14.804 10.621 ( -0.216 -3.839 6.620) 7.656 11.134 ( 12.695 8.000 9.700) 17.868 11.607 ( -0.673 -10.626 -0.981) 10.692 11.845 ( 4.444 -4.765 -0.923) 6.581 11.921 ( -4.697 8.440 -4.609) 10.702 12.014 ( 5.712 -10.345 0.479) 11.827 12.168 ( -1.419 -1.703 -1.678) 2.781 12.180 ( -0.228 -2.286 1.873) 2.964 12.343 ( -2.834 -11.500 -0.391) 11.851 12.663 ( 2.065 2.809 -2.377) 4.220 12.735 ( 2.734 -2.002 -2.631) 4.290 12.850 ( -3.086 -1.442 -0.386) 3.428 12.953 ( -1.805 -6.506 1.758) 6.977 13.387 ( 0.872 13.261 -0.109) 13.290 13.457 ( 1.710 9.095 -2.210) 9.515 13.500 ( -1.766 8.340 -2.323) 8.835 13.806 ( 1.570 1.288 -2.102) 2.923 14.199 ( -2.109 1.889 2.545) 3.807 14.552 ( -3.582 -8.400 -3.219) 9.683 15.884 ( -1.056 8.058 -1.764) 8.316 16.151 ( 0.344 -3.990 -0.567) 4.045 16.238 ( 0.979 1.681 -3.382) 3.902 16.339 ( -3.981 -2.752 -5.127) 7.051 ======================= Grid point 58 (29/96) ======================= q-point: ( 0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 4.645 -0.117 9.811) 10.856 1.508 ( 4.326 -0.328 9.338) 10.297 1.587 ( 1.961 3.480 4.888) 6.313 1.674 ( -7.975 -0.919 7.099) 10.716 1.707 ( 0.933 1.020 7.295) 7.425 1.762 ( 2.819 -0.379 1.374) 3.158 1.784 ( -6.490 3.366 0.651) 7.340 1.954 ( -2.510 -1.723 0.595) 3.102 2.007 ( 5.455 2.128 0.893) 5.923 2.027 ( -1.194 -0.122 0.326) 1.244 2.063 ( -1.842 2.302 2.598) 3.929 2.079 ( -2.204 -0.489 5.132) 5.606 2.120 ( -1.600 -2.139 4.372) 5.124 2.145 ( 0.283 -0.059 1.508) 1.535 2.199 ( -3.347 3.390 1.344) 4.950 2.246 ( -2.852 -0.553 4.485) 5.344 2.270 ( 2.290 -2.752 0.371) 3.599 2.381 ( 0.615 -2.712 1.215) 3.034 2.458 ( -3.791 -1.714 -2.039) 4.633 2.513 ( -3.501 -3.519 -1.201) 5.107 2.570 ( -4.065 4.344 -5.379) 8.021 2.638 ( -2.439 -0.132 4.306) 4.951 2.707 ( 0.973 -3.644 5.048) 6.301 2.820 ( -2.677 1.608 6.214) 6.955 2.835 ( -3.814 0.207 -1.645) 4.159 2.953 ( -0.940 1.095 4.775) 4.988 3.069 ( 1.632 -4.186 0.914) 4.586 3.176 ( -2.464 -5.379 5.671) 8.195 3.359 ( -1.091 2.621 2.769) 3.966 3.399 ( -3.683 2.119 -0.902) 4.344 3.607 ( 2.559 1.210 0.488) 2.873 3.754 ( 6.716 -4.909 -0.767) 8.354 3.810 ( 1.959 2.702 -2.792) 4.352 3.895 ( -4.922 5.968 0.905) 7.788 4.043 ( -0.601 -2.174 -2.863) 3.645 4.125 ( -2.193 1.478 1.327) 2.959 4.261 ( -3.314 -3.313 -2.547) 5.334 4.294 ( 0.865 -6.995 5.407) 8.883 4.344 ( 0.484 2.397 -5.180) 5.728 4.474 ( -0.649 -1.854 -2.121) 2.891 4.584 ( -0.519 0.497 -3.417) 3.491 4.706 ( 6.859 -3.917 2.933) 8.426 4.852 ( -0.640 5.212 -4.435) 6.874 4.989 ( 0.571 -2.132 -3.989) 4.559 5.191 ( -0.783 10.622 2.556) 10.953 5.328 ( 0.143 1.603 -3.473) 3.828 5.509 ( -1.174 -0.328 -2.758) 3.015 5.684 ( 0.864 -7.529 -0.043) 7.578 5.746 ( -3.119 3.513 -1.164) 4.839 5.891 ( 0.661 -0.314 -1.603) 1.762 6.120 ( -4.435 -0.023 -0.505) 4.463 6.310 ( -2.647 -8.570 -9.626) 13.157 6.588 ( 3.784 5.682 -3.846) 7.836 6.629 ( 1.402 4.339 -0.554) 4.593 6.719 ( 2.392 -0.766 0.617) 2.586 6.767 ( -1.190 -2.094 2.172) 3.243 6.916 ( 1.538 -1.132 6.282) 6.566 6.963 ( 2.647 -1.732 2.073) 3.782 7.221 ( 0.409 4.466 2.584) 5.176 7.399 ( -2.220 -3.591 5.665) 7.065 7.617 ( 1.473 6.145 1.119) 6.418 7.738 ( 0.834 3.000 -1.401) 3.415 7.907 ( 2.088 -2.750 -0.736) 3.530 7.964 ( 5.988 0.688 -1.954) 6.336 8.094 ( 1.306 1.363 -0.879) 2.082 8.147 ( -0.668 -0.517 -2.436) 2.579 8.262 ( -5.495 5.115 2.615) 7.950 8.343 ( -0.746 2.179 0.137) 2.307 8.549 ( 2.846 4.299 -1.093) 5.271 8.666 ( -1.904 -4.376 -0.918) 4.860 8.767 ( -0.662 -3.410 -0.687) 3.541 8.805 ( -5.161 3.840 -0.354) 6.443 9.052 ( -0.854 4.649 -6.550) 8.078 9.206 ( 5.714 0.950 -5.934) 8.292 9.366 ( -0.675 6.030 4.330) 7.454 9.559 ( 1.068 0.177 -0.282) 1.119 9.612 ( 3.482 -0.796 -0.055) 3.572 9.727 ( -3.195 -7.290 -0.396) 7.969 9.763 ( 0.937 1.770 -7.930) 8.179 9.872 ( -0.051 -1.062 -4.033) 4.171 9.930 ( 1.297 2.523 -1.522) 3.220 10.139 ( -6.449 -1.064 2.509) 7.001 10.239 ( -4.939 -5.752 0.595) 7.605 10.303 ( -4.857 -3.728 2.237) 6.519 10.500 ( -5.391 0.417 11.079) 12.328 10.693 ( 1.468 -6.101 11.322) 12.944 11.346 ( 0.860 3.749 5.536) 6.741 11.572 ( 1.228 1.848 2.374) 3.249 11.869 ( 1.273 -1.716 -2.136) 3.021 11.928 ( 4.083 -1.786 -0.115) 4.458 12.070 ( 1.056 -1.297 0.282) 1.696 12.131 ( -1.243 -0.113 -0.284) 1.280 12.190 ( -2.141 -5.157 -1.220) 5.715 12.291 ( -0.002 -13.300 0.580) 13.312 12.677 ( 0.878 5.088 -4.708) 6.988 12.760 ( 1.586 -1.989 -3.699) 4.489 12.801 ( -1.442 -3.200 0.748) 3.589 12.936 ( -0.817 -8.294 1.605) 8.488 13.406 ( 1.171 13.221 -0.749) 13.294 13.456 ( -1.943 11.214 -0.778) 11.408 13.478 ( 2.048 5.957 -2.738) 6.869 13.823 ( 1.274 -0.639 -2.117) 2.552 14.180 ( -1.466 1.569 2.799) 3.528 14.505 ( 0.003 -8.081 -1.335) 8.191 15.869 ( 0.270 6.707 -1.130) 6.807 16.129 ( -0.738 -4.831 -2.690) 5.579 16.243 ( 0.969 0.637 -2.629) 2.873 16.287 ( 0.151 -0.614 -2.617) 2.692 ======================= Grid point 59 (30/96) ======================= q-point: (-0.44 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.463 ( -13.187 0.402 5.858) 14.436 1.486 ( -9.952 0.049 7.950) 12.738 1.539 ( -14.562 4.044 1.754) 15.215 1.638 ( 2.092 0.719 8.079) 8.377 1.661 ( 1.532 -0.893 7.171) 7.387 1.717 ( -9.513 -2.657 0.730) 9.904 1.848 ( 3.741 2.672 2.454) 5.212 1.940 ( -4.781 -1.140 -0.253) 4.921 1.958 ( -5.014 0.328 -0.317) 5.035 2.011 ( 4.836 -0.269 1.931) 5.214 2.032 ( -3.375 0.772 2.678) 4.377 2.098 ( 0.396 -0.839 3.578) 3.696 2.107 ( -3.188 0.176 3.852) 5.003 2.134 ( -0.156 -2.064 1.811) 2.750 2.174 ( -3.085 1.614 0.581) 3.530 2.234 ( -0.629 -0.813 2.269) 2.491 2.333 ( 7.995 4.025 4.106) 9.848 2.415 ( 2.409 1.533 -1.692) 3.319 2.498 ( 3.870 1.147 -0.219) 4.042 2.544 ( 4.757 -1.985 2.556) 5.754 2.600 ( 4.414 -1.437 2.509) 5.276 2.686 ( 1.746 -3.858 4.257) 6.004 2.719 ( -0.551 -0.980 0.881) 1.428 2.738 ( -0.033 -4.004 0.882) 4.101 2.841 ( 0.784 2.684 4.502) 5.300 3.004 ( 3.544 -0.182 4.476) 5.712 3.066 ( 0.695 -0.933 -4.324) 4.478 3.156 ( -3.406 -5.606 2.306) 6.953 3.280 ( -13.255 2.039 -2.953) 13.732 3.382 ( -3.489 -2.163 6.020) 7.286 3.431 ( -3.497 6.715 -5.459) 9.334 3.729 ( -7.912 4.683 2.143) 9.440 3.802 ( -0.078 -0.236 -5.335) 5.341 3.886 ( 0.700 -3.566 -0.337) 3.650 3.991 ( -3.971 -5.271 -2.674) 7.121 4.162 ( -0.694 -0.961 1.915) 2.252 4.218 ( 2.316 -2.913 1.066) 3.871 4.321 ( 4.424 -4.700 -0.174) 6.457 4.405 ( 5.772 2.587 -3.358) 7.162 4.476 ( 2.759 -1.951 -1.276) 3.612 4.627 ( -1.589 8.407 -0.399) 8.565 4.775 ( 3.141 2.224 -1.147) 4.016 4.843 ( 1.568 0.346 -3.017) 3.418 4.985 ( 2.164 -2.672 -0.508) 3.476 5.214 ( 0.438 5.640 1.094) 5.762 5.285 ( -2.793 -0.166 -5.546) 6.212 5.439 ( -3.786 -0.008 -4.646) 5.993 5.618 ( -5.933 4.335 -6.850) 10.046 5.688 ( -0.871 -6.025 -2.048) 6.423 5.886 ( -0.687 -1.583 -1.498) 2.285 6.064 ( -1.388 0.901 2.785) 3.240 6.198 ( -2.489 -4.883 -8.618) 10.213 6.609 ( 0.258 2.571 0.329) 2.605 6.678 ( 2.230 3.571 0.111) 4.212 6.736 ( -0.989 -2.359 1.016) 2.753 6.772 ( 1.790 -0.253 0.932) 2.034 7.010 ( 2.595 0.328 1.599) 3.066 7.050 ( 5.334 -2.149 6.065) 8.358 7.275 ( 3.366 4.654 3.465) 6.708 7.396 ( -1.922 -2.842 7.229) 8.001 7.628 ( -1.246 4.479 2.066) 5.088 7.747 ( 1.151 1.351 -1.212) 2.149 7.897 ( -0.902 -0.539 -2.722) 2.917 8.034 ( 0.064 -1.095 -4.338) 4.474 8.063 ( -1.883 4.527 -3.368) 5.949 8.143 ( 2.065 1.457 3.669) 4.456 8.182 ( -3.251 1.547 0.385) 3.621 8.304 ( -4.875 2.223 -0.397) 5.372 8.530 ( -6.951 4.844 -7.582) 11.370 8.579 ( 0.512 1.643 -1.228) 2.114 8.753 ( -0.274 3.150 -1.281) 3.412 8.764 ( -1.671 -3.542 0.835) 4.004 9.061 ( 6.214 2.080 -6.344) 9.120 9.294 ( 2.660 -2.499 -4.219) 5.579 9.343 ( -1.077 4.493 2.546) 5.275 9.563 ( -3.073 -1.228 1.359) 3.577 9.607 ( 0.300 1.238 1.143) 1.711 9.701 ( -0.767 -7.039 -2.677) 7.569 9.749 ( 1.777 -0.436 -5.985) 6.258 9.858 ( 1.300 -3.126 -7.336) 8.080 9.957 ( 2.251 2.135 -2.108) 3.751 10.055 ( -3.438 0.104 1.095) 3.609 10.129 ( -4.465 -2.776 -0.536) 5.285 10.259 ( -3.109 -6.873 3.735) 8.418 10.461 ( -3.548 5.059 9.505) 11.337 10.778 ( 0.705 -8.131 12.154) 14.640 11.212 ( -11.721 9.766 0.269) 15.259 11.716 ( 6.281 -5.460 6.653) 10.654 11.868 ( -1.842 -8.261 -0.258) 8.468 11.993 ( 1.928 2.668 1.515) 3.624 12.072 ( 0.827 0.604 -0.118) 1.031 12.099 ( -4.397 -9.126 -2.627) 10.465 12.165 ( 4.242 0.047 0.489) 4.271 12.322 ( 1.151 -6.984 -0.370) 7.088 12.645 ( -0.576 5.747 -5.473) 7.957 12.744 ( -1.276 -3.847 -2.502) 4.763 12.819 ( 2.504 -1.855 -0.329) 3.133 12.939 ( 0.013 -8.998 1.626) 9.144 13.409 ( -0.338 11.335 -2.718) 11.661 13.433 ( -0.210 15.766 1.448) 15.834 13.502 ( 2.178 3.319 -2.939) 4.939 13.825 ( 0.145 -1.490 -1.959) 2.465 14.178 ( -0.173 3.083 2.388) 3.903 14.540 ( 4.133 -8.395 0.208) 9.359 15.880 ( 1.335 6.906 -0.608) 7.060 16.100 ( -0.923 -2.440 -3.892) 4.685 16.245 ( 0.511 0.183 -2.700) 2.754 16.312 ( 4.526 -2.387 -1.831) 5.435 ======================= Grid point 60 (31/96) ======================= q-point: (-0.33 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -17.932 2.352 1.856) 18.181 1.257 ( -17.235 4.308 7.465) 19.270 1.327 ( -11.977 -3.082 10.602) 16.289 1.504 ( -12.407 -6.862 2.837) 14.459 1.688 ( -4.590 2.180 2.115) 5.504 1.739 ( 0.768 -0.393 5.062) 5.135 1.776 ( -2.076 0.735 5.061) 5.519 1.857 ( -3.874 -1.994 1.885) 4.748 1.936 ( -0.254 2.277 1.731) 2.871 2.022 ( -3.850 0.311 2.253) 4.471 2.032 ( -1.183 1.056 3.952) 4.258 2.075 ( -3.481 1.675 2.825) 4.786 2.133 ( -0.164 -2.348 3.157) 3.938 2.155 ( 2.089 2.456 -0.727) 3.305 2.236 ( 3.732 -0.004 0.981) 3.859 2.247 ( 3.195 1.508 4.297) 5.563 2.421 ( 0.459 1.502 0.742) 1.737 2.497 ( 5.539 -0.047 -0.751) 5.589 2.561 ( 0.340 2.044 5.997) 6.345 2.582 ( -3.804 -0.624 3.110) 4.952 2.636 ( 2.371 -0.638 -3.808) 4.531 2.692 ( -1.781 -1.348 4.921) 5.404 2.752 ( 4.242 0.623 6.112) 7.466 2.829 ( 5.681 -0.519 -4.824) 7.471 2.918 ( -3.855 0.323 -0.476) 3.898 2.974 ( -0.669 0.251 -3.170) 3.249 3.076 ( 3.846 -4.308 -0.011) 5.775 3.116 ( 0.244 -0.370 0.926) 1.026 3.163 ( 8.801 -0.445 -2.923) 9.284 3.302 ( -4.877 -8.123 0.419) 9.484 3.495 ( 2.508 -1.459 7.223) 7.784 3.604 ( -5.752 1.953 2.560) 6.592 3.711 ( -3.059 -3.226 -4.268) 6.163 3.879 ( -0.040 0.089 0.691) 0.698 3.964 ( -0.971 0.043 3.011) 3.164 4.126 ( -2.431 -2.860 2.079) 4.291 4.278 ( 2.683 2.817 -2.353) 4.546 4.398 ( 2.047 -2.615 -0.745) 3.403 4.461 ( -1.505 9.667 -4.830) 10.911 4.509 ( 2.800 2.252 -4.077) 5.435 4.560 ( -0.131 -0.287 1.671) 1.700 4.755 ( -2.955 -1.330 -8.100) 8.724 4.908 ( 4.215 4.675 1.329) 6.433 5.043 ( 1.593 -2.475 0.901) 3.078 5.120 ( -7.390 -1.868 -9.212) 11.956 5.164 ( -6.994 -1.624 -7.446) 10.343 5.392 ( 2.746 1.971 -1.539) 3.714 5.526 ( -0.839 5.796 -2.547) 6.386 5.635 ( -2.709 -5.139 -3.739) 6.909 5.864 ( -0.181 -5.392 -1.629) 5.635 6.078 ( -0.110 2.235 3.964) 4.552 6.140 ( -0.729 -0.581 -3.207) 3.340 6.609 ( -1.047 0.937 0.923) 1.682 6.656 ( -3.679 -0.011 1.975) 4.176 6.766 ( 0.599 1.010 1.931) 2.260 6.812 ( 3.362 -0.338 -0.366) 3.398 7.042 ( 1.101 3.502 -1.687) 4.040 7.160 ( 3.290 -2.992 3.054) 5.395 7.350 ( 1.704 4.225 2.608) 5.249 7.396 ( -2.641 -1.258 7.403) 7.960 7.612 ( -0.601 2.963 1.550) 3.398 7.778 ( 2.223 -0.737 1.288) 2.673 7.830 ( -7.150 2.259 -0.160) 7.500 7.942 ( -2.729 -0.383 -7.977) 8.440 8.020 ( -3.963 4.775 0.215) 6.209 8.120 ( -5.180 7.291 -0.335) 8.950 8.178 ( -4.402 -0.098 0.857) 4.485 8.236 ( 2.195 3.136 3.748) 5.357 8.389 ( -2.583 4.482 -5.240) 7.364 8.564 ( -1.062 -1.315 0.327) 1.722 8.718 ( -2.429 -3.247 -0.421) 4.077 8.753 ( 1.184 3.510 -5.164) 6.355 9.168 ( 1.782 -2.810 -4.133) 5.306 9.245 ( 3.151 7.281 -2.544) 8.331 9.363 ( -3.075 -6.294 -1.665) 7.200 9.475 ( -2.568 -0.305 2.332) 3.482 9.631 ( -2.292 -5.833 -0.542) 6.290 9.693 ( 3.171 -4.977 -2.509) 6.413 9.756 ( 3.034 -0.630 -4.350) 5.341 9.839 ( 1.998 -7.199 -8.681) 11.453 9.979 ( 0.829 1.704 -1.760) 2.586 10.018 ( -0.872 -0.654 2.067) 2.337 10.106 ( 1.232 0.215 1.586) 2.020 10.246 ( -0.539 -5.519 4.175) 6.941 10.481 ( -0.330 8.768 10.040) 13.333 10.838 ( -2.579 -6.685 10.933) 13.071 11.008 ( -8.883 8.769 2.356) 12.703 11.716 ( -8.692 -24.445 3.530) 26.183 11.869 ( 0.551 -0.841 0.684) 1.216 11.983 ( -4.009 -8.525 -1.749) 9.581 12.056 ( 3.429 3.216 2.952) 5.551 12.134 ( 3.071 -1.742 0.926) 3.650 12.242 ( 3.065 0.280 -0.422) 3.106 12.304 ( -2.047 -3.186 -3.273) 5.005 12.615 ( 0.259 5.282 -4.342) 6.843 12.697 ( -2.056 -3.168 -2.212) 4.377 12.865 ( 2.330 -1.669 -0.457) 2.902 12.950 ( 0.193 -8.358 1.619) 8.516 13.388 ( -0.475 12.786 -0.645) 12.811 13.444 ( 0.691 13.849 -0.766) 13.887 13.529 ( 2.682 3.416 -2.715) 5.122 13.811 ( -0.365 -1.041 -1.641) 1.978 14.204 ( 1.919 6.825 1.850) 7.327 14.657 ( 7.770 -8.959 1.177) 11.917 15.911 ( 2.216 7.741 -0.567) 8.072 16.045 ( -2.297 0.009 -4.827) 5.346 16.233 ( 0.596 2.075 -4.122) 4.653 16.442 ( 10.144 -5.280 -1.540) 11.539 ======================= Grid point 61 (32/96) ======================= q-point: (-0.22 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.858 ( -18.770 4.711 3.809) 19.723 0.983 ( -17.779 5.739 11.375) 21.873 1.175 ( -12.436 -4.356 14.883) 19.878 1.305 ( -8.196 -13.858 3.339) 16.442 1.575 ( -19.493 8.251 3.003) 21.379 1.626 ( -4.052 4.268 0.400) 5.899 1.832 ( 1.488 0.166 5.869) 6.057 1.849 ( 1.488 -0.070 6.586) 6.753 1.949 ( -2.513 2.019 3.065) 4.449 1.961 ( -0.482 1.794 4.278) 4.664 2.009 ( -1.592 1.774 0.497) 2.435 2.073 ( -0.900 3.289 4.103) 5.335 2.077 ( -3.686 1.956 6.032) 7.335 2.125 ( -2.832 0.093 -2.918) 4.067 2.319 ( 1.377 2.531 6.774) 7.362 2.369 ( 6.702 0.044 0.755) 6.744 2.438 ( 0.536 -0.536 3.588) 3.667 2.480 ( -4.368 -2.306 2.364) 5.476 2.577 ( 5.345 -2.269 -2.095) 6.173 2.635 ( 0.820 -2.383 2.190) 3.339 2.686 ( 1.906 -1.042 -1.545) 2.666 2.723 ( 4.757 -1.952 -0.139) 5.144 2.795 ( -5.160 -0.341 2.565) 5.772 2.835 ( 0.712 -4.705 6.068) 7.711 2.896 ( 4.601 -2.598 -2.664) 5.918 2.990 ( -0.446 -6.344 -4.820) 7.980 3.121 ( 0.333 -0.225 -1.216) 1.281 3.202 ( 4.811 -1.484 2.745) 5.735 3.299 ( 8.902 1.122 2.733) 9.379 3.325 ( 7.993 -2.887 -3.534) 9.204 3.548 ( -2.574 -3.150 3.027) 5.071 3.574 ( 2.468 -1.732 2.766) 4.092 3.721 ( 2.870 5.175 3.846) 7.057 3.864 ( -3.403 -1.380 2.876) 4.665 3.968 ( 2.037 5.778 -0.845) 6.184 4.123 ( 0.816 -1.556 2.414) 2.986 4.292 ( -0.131 5.314 -3.445) 6.335 4.347 ( -3.422 1.835 -3.382) 5.149 4.393 ( -3.145 2.344 2.528) 4.666 4.560 ( -1.093 -0.641 -0.880) 1.543 4.566 ( 3.907 -0.124 -4.761) 6.160 4.658 ( -3.465 -0.724 -5.060) 6.175 4.884 ( -8.712 0.071 -2.663) 9.110 4.933 ( -4.055 1.875 -2.448) 5.094 4.989 ( -4.183 -3.472 -4.171) 6.852 5.068 ( -1.345 -2.439 -3.530) 4.497 5.457 ( 2.307 1.102 -1.255) 2.848 5.533 ( 2.062 4.817 -1.387) 5.421 5.589 ( 1.803 -1.197 -3.738) 4.320 5.864 ( 1.020 -7.027 -2.276) 7.457 6.073 ( -2.769 2.699 2.427) 4.565 6.119 ( -0.458 0.840 -1.622) 1.883 6.543 ( -6.637 2.120 0.769) 7.010 6.592 ( -4.677 -0.730 2.758) 5.478 6.798 ( 2.118 0.915 3.562) 4.244 6.864 ( 1.702 -1.761 -0.394) 2.481 7.036 ( -0.182 6.535 -3.267) 7.308 7.212 ( 1.784 -1.475 -0.363) 2.343 7.343 ( -3.432 4.707 3.050) 6.576 7.394 ( -1.040 -1.009 3.889) 4.150 7.533 ( -20.033 9.792 7.018) 23.376 7.680 ( -0.229 4.518 3.510) 5.725 7.815 ( -1.403 -1.150 -4.088) 4.472 7.861 ( -0.095 -2.814 -1.939) 3.419 7.913 ( -4.214 1.797 -4.389) 6.344 8.079 ( 1.198 4.405 0.436) 4.586 8.108 ( -3.091 2.383 -2.055) 4.411 8.218 ( -2.880 8.697 0.828) 9.199 8.455 ( 4.287 -7.854 9.706) 13.200 8.571 ( 0.019 -2.856 6.204) 6.830 8.684 ( -0.556 -3.165 0.114) 3.216 8.730 ( 1.124 0.231 -10.411) 10.474 9.059 ( -6.209 1.663 -3.931) 7.535 9.206 ( -8.213 -4.792 2.530) 9.840 9.409 ( 9.234 -4.407 -4.346) 11.117 9.505 ( -1.146 -0.186 -0.930) 1.487 9.597 ( 1.896 -3.685 1.966) 4.587 9.723 ( 2.000 -2.567 -0.106) 3.256 9.782 ( 1.354 -8.299 -6.536) 10.650 9.843 ( 1.915 -7.798 -6.161) 10.122 9.985 ( 0.958 0.405 0.659) 1.231 10.064 ( 3.598 -3.729 3.039) 6.007 10.159 ( 2.892 1.270 2.801) 4.222 10.273 ( 1.176 -4.052 2.891) 5.115 10.543 ( 0.042 10.616 11.600) 15.724 10.735 ( -10.086 2.448 3.836) 11.065 10.981 ( -0.692 -2.709 9.216) 9.631 11.507 ( -16.060 -38.636 4.546) 42.087 11.858 ( -1.911 -0.265 1.299) 2.326 11.898 ( -3.834 -3.556 -0.212) 5.234 12.131 ( -0.585 -1.029 1.480) 1.895 12.181 ( 2.422 0.897 0.068) 2.583 12.234 ( -2.072 -2.660 -3.506) 4.864 12.262 ( 0.579 -1.081 -2.271) 2.581 12.598 ( 0.202 4.391 -3.288) 5.490 12.663 ( -0.279 -1.576 -1.109) 1.947 12.890 ( 0.368 -1.102 -0.255) 1.190 12.963 ( 0.298 -7.049 1.581) 7.230 13.389 ( 0.551 12.784 0.345) 12.801 13.438 ( -0.422 9.036 -2.177) 9.304 13.580 ( 4.137 2.730 -2.823) 5.705 13.806 ( 0.981 1.017 -0.734) 1.592 14.281 ( 6.066 14.998 0.954) 16.206 14.824 ( 9.037 -8.596 0.704) 12.492 15.937 ( 0.207 4.397 -2.519) 5.072 15.977 ( -1.339 2.406 -3.543) 4.487 16.242 ( 4.253 10.504 -6.746) 13.189 16.649 ( 12.869 -6.168 -3.662) 14.733 ======================= Grid point 62 (33/96) ======================= q-point: (-0.11 0.25 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( -9.973 13.142 11.454) 20.084 0.741 ( -15.121 10.958 13.566) 23.082 1.034 ( -10.840 -3.786 17.741) 21.133 1.162 ( -22.819 15.840 13.230) 30.767 1.274 ( -0.656 -14.758 6.044) 15.961 1.578 ( -2.381 -0.214 -1.502) 2.823 1.889 ( 1.344 -0.250 2.649) 2.981 1.892 ( -0.464 0.201 6.096) 6.117 1.950 ( -0.291 0.953 5.611) 5.699 1.969 ( -0.825 -0.321 3.512) 3.622 2.003 ( -5.232 1.173 3.347) 6.321 2.043 ( -0.050 3.035 3.268) 4.461 2.063 ( 1.337 0.614 2.554) 2.947 2.133 ( 2.412 1.533 3.581) 4.582 2.382 ( 0.575 2.342 9.974) 10.262 2.405 ( -4.677 -4.259 4.013) 7.491 2.454 ( -0.001 -5.984 -0.241) 5.989 2.476 ( 0.752 -0.229 1.280) 1.502 2.599 ( 0.688 -0.924 1.343) 1.769 2.661 ( 1.207 1.380 -2.664) 3.234 2.686 ( 2.011 1.477 -3.816) 4.559 2.764 ( -0.202 -3.729 4.065) 5.520 2.801 ( 0.716 -2.788 -0.628) 2.946 2.903 ( 3.162 -5.633 4.453) 7.846 2.963 ( 1.138 -5.662 4.887) 7.565 2.998 ( 5.376 -4.156 0.582) 6.820 3.179 ( 6.221 4.765 -0.491) 7.852 3.306 ( 3.914 -1.423 0.051) 4.165 3.361 ( -1.363 4.820 -4.407) 6.672 3.460 ( -0.344 -0.692 3.141) 3.235 3.510 ( 0.527 -5.264 -2.789) 5.980 3.645 ( 3.938 -2.555 0.164) 4.697 3.746 ( 0.228 7.494 3.335) 8.205 3.881 ( 1.942 -3.818 3.878) 5.778 4.026 ( 3.384 4.377 -3.532) 6.563 4.145 ( 0.369 -2.206 1.279) 2.576 4.224 ( -5.250 3.702 -4.224) 7.689 4.245 ( -3.633 4.343 -1.534) 5.867 4.419 ( 0.155 1.192 4.323) 4.487 4.533 ( -0.847 0.969 0.321) 1.326 4.580 ( 0.115 1.167 -0.118) 1.179 4.616 ( 4.207 -1.358 -3.068) 5.381 4.755 ( -2.351 -0.135 3.311) 4.063 4.871 ( -2.127 3.037 1.272) 3.920 4.986 ( -3.402 -6.660 -3.163) 8.120 5.024 ( 9.349 -5.921 12.484) 16.683 5.457 ( -0.095 6.034 -2.096) 6.388 5.552 ( 1.353 6.478 -1.846) 6.870 5.659 ( 5.861 -2.866 -4.415) 7.878 5.848 ( -1.782 -6.708 -3.956) 7.989 6.025 ( -1.898 3.661 0.640) 4.173 6.091 ( -2.615 1.671 0.310) 3.118 6.410 ( -7.647 2.230 2.467) 8.338 6.515 ( -3.678 -2.282 -0.004) 4.328 6.851 ( -6.321 2.480 3.873) 7.817 6.876 ( 3.833 0.199 2.084) 4.367 6.988 ( -8.031 8.126 1.138) 11.482 7.071 ( -14.513 6.720 2.614) 16.206 7.239 ( 0.782 -1.525 -3.312) 3.729 7.358 ( -1.009 4.076 3.278) 5.327 7.407 ( -0.706 -1.871 2.774) 3.420 7.681 ( -9.939 -9.113 -2.215) 13.665 7.732 ( -1.071 4.357 -5.154) 6.833 7.843 ( -0.048 2.913 -2.140) 3.615 7.884 ( 0.446 -3.709 3.187) 4.910 8.055 ( -1.423 5.847 1.019) 6.104 8.130 ( 0.679 1.568 7.273) 7.471 8.198 ( 2.291 1.360 -3.649) 4.518 8.500 ( -7.682 -19.029 9.411) 22.576 8.560 ( -4.503 -6.926 3.402) 8.934 8.716 ( 3.087 -2.920 1.117) 4.394 8.738 ( 2.037 -3.917 -0.728) 4.475 9.017 ( 5.869 4.520 -0.439) 7.420 9.107 ( -4.300 -6.846 5.488) 9.771 9.425 ( -7.112 -1.562 -1.353) 7.406 9.468 ( -2.559 -13.218 8.312) 15.822 9.655 ( 2.104 -4.429 -5.469) 7.345 9.722 ( 1.334 -3.539 -4.151) 5.615 9.805 ( 0.553 -5.894 -2.741) 6.523 9.846 ( 3.915 -2.258 1.486) 4.757 10.028 ( 2.318 -2.675 4.461) 5.695 10.129 ( 0.020 -6.965 5.311) 8.759 10.251 ( 4.899 -0.484 2.923) 5.726 10.319 ( 1.993 -1.622 3.794) 4.582 10.563 ( -7.166 3.409 7.286) 10.773 10.599 ( -4.445 3.588 11.441) 12.788 10.992 ( -3.845 -3.740 6.815) 8.673 11.209 ( -18.360 -35.373 12.936) 41.900 11.811 ( -3.665 2.116 1.639) 4.538 11.847 ( -1.878 0.107 -1.344) 2.311 12.090 ( -1.636 -2.039 1.608) 3.069 12.164 ( -2.291 -3.132 -2.200) 4.461 12.208 ( -0.185 0.412 -1.834) 1.889 12.283 ( 2.398 -1.042 -3.342) 4.243 12.604 ( 1.854 2.170 -1.266) 3.122 12.663 ( 0.334 -1.029 -0.543) 1.211 12.881 ( -0.950 0.742 0.480) 1.298 12.976 ( 0.114 -5.846 1.510) 6.039 13.401 ( 0.645 6.650 -2.004) 6.976 13.416 ( -0.709 13.613 0.271) 13.635 13.621 ( 2.002 -5.182 -4.491) 7.143 13.845 ( 2.677 0.502 0.079) 2.725 14.440 ( 10.444 22.815 -4.986) 25.583 14.962 ( 5.145 -7.296 -2.203) 9.195 15.894 ( -0.924 1.702 -2.621) 3.259 15.968 ( 0.671 -0.604 -2.150) 2.332 16.334 ( 11.610 27.152 -15.227) 33.225 16.836 ( 9.414 -4.748 -8.103) 13.298 ======================= Grid point 63 (34/96) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.834 ( -2.572 -5.488 16.189) 17.287 0.834 ( -2.572 5.488 16.189) 17.287 0.965 ( -6.383 -15.279 10.844) 19.793 0.965 ( -6.383 15.279 10.844) 19.793 1.408 ( 4.374 -16.566 6.312) 18.259 1.408 ( 4.374 16.566 6.312) 18.259 1.883 ( -0.640 -2.635 -0.459) 2.750 1.883 ( -0.640 2.635 -0.459) 2.750 1.957 ( -3.297 -0.558 5.819) 6.711 1.957 ( -3.297 0.558 5.819) 6.711 2.021 ( -0.906 -2.363 8.197) 8.579 2.021 ( -0.906 2.363 8.197) 8.579 2.141 ( 1.252 -0.551 4.092) 4.314 2.141 ( 1.252 0.551 4.092) 4.314 2.338 ( -1.456 -1.122 5.170) 5.487 2.338 ( -1.456 1.122 5.170) 5.487 2.506 ( 0.806 -2.594 1.558) 3.131 2.506 ( 0.806 2.594 1.558) 3.131 2.677 ( 0.686 -2.492 -2.749) 3.773 2.677 ( 0.686 2.492 -2.749) 3.773 2.743 ( -1.871 -2.259 4.118) 5.055 2.743 ( -1.871 2.259 4.118) 5.055 2.842 ( 3.568 -5.118 0.969) 6.314 2.842 ( 3.568 5.118 0.969) 6.314 3.024 ( -0.010 -4.428 5.871) 7.354 3.024 ( -0.010 4.428 5.871) 7.354 3.216 ( -10.927 -3.792 -1.820) 11.709 3.216 ( -10.927 3.792 -1.820) 11.709 3.388 ( 5.683 -2.018 -2.451) 6.510 3.388 ( 5.683 2.018 -2.451) 6.510 3.528 ( -0.684 -8.357 -3.102) 8.941 3.528 ( -0.684 8.357 -3.102) 8.941 3.877 ( -1.046 -4.919 1.404) 5.221 3.877 ( -1.046 4.919 1.404) 5.221 4.099 ( 1.681 -7.045 2.518) 7.668 4.099 ( 1.681 7.045 2.518) 7.668 4.198 ( -3.384 -0.539 -0.718) 3.501 4.198 ( -3.384 0.539 -0.718) 3.501 4.527 ( 1.389 -8.642 -7.191) 11.328 4.527 ( 1.389 8.642 -7.191) 11.328 4.636 ( 0.117 -9.433 1.298) 9.523 4.636 ( 0.117 9.433 1.298) 9.523 4.773 ( 2.684 -3.270 -1.397) 4.456 4.773 ( 2.684 3.270 -1.397) 4.456 5.302 ( 19.518 -11.406 17.249) 28.435 5.302 ( 19.518 11.406 17.249) 28.435 5.610 ( -0.713 -8.410 -1.450) 8.564 5.610 ( -0.713 8.410 -1.450) 8.564 5.722 ( 11.018 -4.930 -1.208) 12.131 5.722 ( 11.018 4.930 -1.208) 12.131 6.057 ( -0.350 -1.464 0.501) 1.587 6.057 ( -0.350 1.464 0.501) 1.587 6.390 ( -1.502 -5.227 0.147) 5.441 6.390 ( -1.502 5.227 0.147) 5.441 6.709 ( -32.263 -11.321 21.051) 40.152 6.709 ( -32.263 11.321 21.051) 40.152 6.937 ( 3.054 -2.356 0.468) 3.885 6.937 ( 3.054 2.356 0.468) 3.885 7.161 ( 0.779 -7.198 -2.883) 7.793 7.161 ( 0.779 7.198 -2.883) 7.793 7.402 ( -1.191 -1.718 2.017) 2.905 7.402 ( -1.191 1.718 2.017) 2.905 7.799 ( -0.589 -4.273 -1.788) 4.669 7.799 ( -0.589 4.273 -1.788) 4.669 8.067 ( 2.721 -9.194 5.619) 11.113 8.067 ( 2.721 9.194 5.619) 11.113 8.202 ( 3.378 -4.545 -2.487) 6.185 8.202 ( 3.378 4.545 -2.487) 6.185 8.349 ( -0.325 -9.459 8.870) 12.971 8.349 ( -0.325 9.459 8.870) 12.971 8.744 ( 2.476 -2.617 4.593) 5.837 8.744 ( 2.476 2.617 4.593) 5.837 9.134 ( 2.153 -4.094 0.725) 4.682 9.134 ( 2.153 4.094 0.725) 4.682 9.398 ( 3.849 -13.845 9.933) 17.469 9.398 ( 3.849 13.845 9.933) 17.469 9.666 ( 1.756 -4.270 -8.101) 9.324 9.666 ( 1.756 4.270 -8.101) 9.324 9.853 ( 0.824 -9.608 2.407) 9.940 9.853 ( 0.824 9.608 2.407) 9.940 10.023 ( -2.047 -2.293 4.736) 5.646 10.023 ( -2.047 2.293 4.736) 5.646 10.372 ( 3.161 -1.552 4.889) 6.025 10.372 ( 3.161 1.552 4.889) 6.025 10.518 ( -3.940 -3.586 11.091) 12.305 10.518 ( -3.940 3.586 11.091) 12.305 10.936 ( -4.470 -3.003 4.666) 7.125 10.936 ( -4.470 3.003 4.666) 7.125 11.805 ( -2.141 -2.825 -2.454) 4.311 11.805 ( -2.141 2.825 -2.454) 4.311 12.078 ( 1.943 -2.917 1.777) 3.930 12.078 ( 1.943 2.917 1.777) 3.930 12.251 ( 0.239 -3.485 -3.857) 5.204 12.251 ( 0.239 3.485 -3.857) 5.204 12.649 ( 0.985 -1.321 -0.577) 1.746 12.649 ( 0.985 1.321 -0.577) 1.746 12.917 ( -0.143 -2.841 1.767) 3.349 12.917 ( -0.143 2.841 1.767) 3.349 13.483 ( 0.884 -6.538 -4.051) 7.742 13.483 ( 0.884 6.538 -4.051) 7.742 13.714 ( -0.105 -14.164 3.000) 14.479 13.714 ( -0.105 14.164 3.000) 14.479 14.786 ( -2.718 -13.204 -7.669) 15.510 14.786 ( -2.718 13.204 -7.669) 15.510 15.945 ( 2.847 -2.329 -0.278) 3.689 15.945 ( 2.847 2.329 -0.278) 3.689 16.744 ( 0.489 -11.030 -17.250) 20.481 16.744 ( 0.489 11.030 -17.250) 20.481 ======================= Grid point 65 (35/96) ======================= q-point: ( 0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( 3.601 -12.591 9.909) 16.422 0.929 ( 3.601 12.591 9.909) 16.422 0.972 ( 2.212 -3.493 18.289) 18.750 0.972 ( 2.212 3.493 18.289) 18.750 1.573 ( 7.164 -3.752 2.348) 8.421 1.573 ( 7.164 3.752 2.348) 8.421 1.889 ( -1.170 -3.653 2.454) 4.554 1.889 ( -1.170 3.653 2.454) 4.554 1.952 ( 1.504 -4.451 5.433) 7.183 1.952 ( 1.504 4.451 5.433) 7.183 2.057 ( -0.485 -2.798 7.570) 8.085 2.057 ( -0.485 2.798 7.570) 8.085 2.182 ( 0.646 -4.681 3.275) 5.749 2.182 ( 0.646 4.681 3.275) 5.749 2.340 ( -0.774 -4.190 4.693) 6.338 2.340 ( -0.774 4.190 4.693) 6.338 2.483 ( -3.588 -3.661 -0.213) 5.131 2.483 ( -3.588 3.661 -0.213) 5.131 2.659 ( -1.730 -3.058 0.339) 3.530 2.659 ( -1.730 3.058 0.339) 3.530 2.709 ( -4.419 -2.191 3.974) 6.334 2.709 ( -4.419 2.191 3.974) 6.334 2.884 ( -2.100 -3.885 4.112) 6.034 2.884 ( -2.100 3.885 4.112) 6.034 2.959 ( -0.137 -1.471 -0.188) 1.490 2.959 ( -0.137 1.471 -0.188) 1.490 3.165 ( -0.451 -3.993 6.200) 7.388 3.165 ( -0.451 3.993 6.200) 7.388 3.419 ( -3.630 -3.071 -4.273) 6.392 3.419 ( -3.630 3.071 -4.273) 6.392 3.502 ( 2.218 -5.591 -1.072) 6.109 3.502 ( 2.218 5.591 -1.072) 6.109 3.815 ( -5.666 -2.350 -0.273) 6.140 3.815 ( -5.666 2.350 -0.273) 6.140 4.100 ( -2.912 -3.022 2.184) 4.731 4.100 ( -2.912 3.022 2.184) 4.731 4.197 ( 3.527 -2.259 -1.174) 4.350 4.197 ( 3.527 2.259 -1.174) 4.350 4.525 ( 1.564 -6.605 -3.417) 7.599 4.525 ( 1.564 6.605 -3.417) 7.599 4.649 ( 3.180 -10.666 1.790) 11.273 4.649 ( 3.180 10.666 1.790) 11.273 4.865 ( 5.165 -2.333 -4.161) 7.030 4.865 ( 5.165 2.333 -4.161) 7.030 5.469 ( 0.333 -2.989 1.620) 3.416 5.469 ( 0.333 2.989 1.620) 3.416 5.539 ( -4.242 -5.277 -1.975) 7.053 5.539 ( -4.242 5.277 -1.975) 7.053 5.893 ( -2.737 -4.500 2.756) 5.945 5.893 ( -2.737 4.500 2.756) 5.945 6.198 ( -2.020 -7.302 13.120) 15.151 6.198 ( -2.020 7.302 13.120) 15.151 6.462 ( 10.367 -1.873 -2.266) 10.776 6.462 ( 10.367 1.873 -2.266) 10.776 6.519 ( 8.727 -7.316 6.403) 13.065 6.519 ( 8.727 7.316 6.403) 13.065 7.000 ( 2.492 -3.186 -2.249) 4.628 7.000 ( 2.492 3.186 -2.249) 4.628 7.188 ( 6.185 -6.800 -3.306) 9.769 7.188 ( 6.185 6.800 -3.306) 9.769 7.390 ( -0.759 -2.183 3.014) 3.799 7.390 ( -0.759 2.183 3.014) 3.799 7.777 ( -0.643 -5.513 -0.951) 5.632 7.777 ( -0.643 5.513 -0.951) 5.632 8.073 ( -1.099 -3.492 -2.759) 4.584 8.073 ( -1.099 3.492 -2.759) 4.584 8.260 ( 3.631 -6.040 -0.200) 7.050 8.260 ( 3.631 6.040 -0.200) 7.050 8.477 ( 3.727 -2.969 14.214) 14.992 8.477 ( 3.727 2.969 14.214) 14.992 8.839 ( 5.120 -5.061 3.253) 7.900 8.839 ( 5.120 5.061 3.253) 7.900 9.122 ( -1.326 -2.854 0.485) 3.184 9.122 ( -1.326 2.854 0.485) 3.184 9.552 ( 0.322 -14.410 3.453) 14.821 9.552 ( 0.322 14.410 3.453) 14.821 9.637 ( 2.241 -6.314 -3.791) 7.699 9.637 ( 2.241 6.314 -3.791) 7.699 9.859 ( -1.291 -11.119 2.218) 11.411 9.859 ( -1.291 11.119 2.218) 11.411 10.014 ( -0.344 -2.047 3.177) 3.795 10.014 ( -0.344 2.047 3.177) 3.795 10.382 ( -3.891 -6.276 8.266) 11.084 10.382 ( -3.891 6.276 8.266) 11.084 10.656 ( 5.053 -8.476 14.551) 17.581 10.656 ( 5.053 8.476 14.551) 17.581 10.874 ( -0.150 -5.565 2.512) 6.107 10.874 ( -0.150 5.565 2.512) 6.107 11.759 ( -0.488 -3.461 -3.557) 4.987 11.759 ( -0.488 3.461 -3.557) 4.987 12.152 ( 3.978 -3.217 0.134) 5.117 12.152 ( 3.978 3.217 0.134) 5.117 12.221 ( -1.309 -4.241 -2.057) 4.892 12.221 ( -1.309 4.241 -2.057) 4.892 12.665 ( 1.092 -1.276 -1.040) 1.976 12.665 ( 1.092 1.276 -1.040) 1.976 12.919 ( -0.795 -2.597 1.835) 3.277 12.919 ( -0.795 2.597 1.835) 3.277 13.485 ( 1.676 -5.329 -4.159) 6.965 13.485 ( 1.676 5.329 -4.159) 6.965 13.724 ( -0.693 -13.457 3.248) 13.861 13.724 ( -0.693 13.457 3.248) 13.861 14.628 ( -8.102 -15.118 -7.547) 18.740 14.628 ( -8.102 15.118 -7.547) 18.740 16.013 ( 3.655 -1.712 0.396) 4.055 16.013 ( 3.655 1.712 0.396) 4.055 16.564 ( -8.234 -11.935 -13.627) 19.898 16.564 ( -8.234 11.935 -13.627) 19.898 ======================= Grid point 67 (36/96) ======================= q-point: ( 0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 8.961 -7.333 10.599) 15.697 1.109 ( 8.961 7.333 10.599) 15.697 1.190 ( 10.395 -6.999 14.096) 18.861 1.190 ( 10.395 6.999 14.096) 18.861 1.684 ( 5.206 -2.620 0.764) 5.878 1.684 ( 5.206 2.620 0.764) 5.878 1.856 ( -4.227 -0.983 5.573) 7.063 1.856 ( -4.227 0.983 5.573) 7.063 1.992 ( -1.008 -5.279 0.408) 5.389 1.992 ( -1.008 5.279 0.408) 5.389 2.086 ( -1.036 -2.025 7.866) 8.188 2.086 ( -1.036 2.025 7.866) 8.188 2.191 ( -1.423 -6.331 2.696) 7.027 2.191 ( -1.423 6.331 2.696) 7.027 2.373 ( -1.274 -2.651 3.077) 4.257 2.373 ( -1.274 2.651 3.077) 4.257 2.408 ( -1.781 -4.464 0.499) 4.832 2.408 ( -1.781 4.464 0.499) 4.832 2.591 ( -4.890 -2.410 2.378) 5.948 2.591 ( -4.890 2.410 2.378) 5.948 2.683 ( 0.332 -1.848 -0.441) 1.929 2.683 ( 0.332 1.848 -0.441) 1.929 2.874 ( -1.343 -2.672 2.412) 3.842 2.874 ( -1.343 2.672 2.412) 3.842 3.011 ( 2.127 -8.429 5.061) 10.059 3.011 ( 2.127 8.429 5.061) 10.059 3.145 ( -7.304 -3.048 1.926) 8.145 3.145 ( -7.304 3.048 1.926) 8.145 3.282 ( -3.735 -0.650 0.678) 3.851 3.282 ( -3.735 0.650 0.678) 3.851 3.555 ( 2.044 -6.723 -1.240) 7.135 3.555 ( 2.044 6.723 -1.240) 7.135 3.738 ( -0.788 -4.466 1.062) 4.658 3.738 ( -0.788 4.466 1.062) 4.658 4.070 ( -1.473 -1.216 5.268) 5.603 4.070 ( -1.473 1.216 5.268) 5.603 4.271 ( 4.344 -3.201 -2.883) 6.118 4.271 ( 4.344 3.201 -2.883) 6.118 4.516 ( -0.525 -3.963 -2.247) 4.586 4.516 ( -0.525 3.963 -2.247) 4.586 4.755 ( 4.087 -8.718 0.262) 9.632 4.755 ( 4.087 8.718 0.262) 9.632 4.866 ( -0.664 -2.510 -6.797) 7.276 4.866 ( -0.664 2.510 -6.797) 7.276 5.434 ( -4.148 -2.310 -3.289) 5.776 5.434 ( -4.148 2.310 -3.289) 5.776 5.494 ( 1.313 -0.147 1.592) 2.069 5.494 ( 1.313 0.147 1.592) 2.069 5.840 ( -2.845 -2.792 2.379) 4.642 5.840 ( -2.845 2.792 2.379) 4.642 6.203 ( -0.885 -5.288 8.959) 10.441 6.203 ( -0.885 5.288 8.959) 10.441 6.512 ( 2.512 -2.366 -0.413) 3.475 6.512 ( 2.512 2.366 -0.413) 3.475 6.782 ( 6.786 -6.348 1.700) 9.446 6.782 ( 6.786 6.348 1.700) 9.446 6.953 ( -3.135 -0.311 -8.562) 9.123 6.953 ( -3.135 0.311 -8.562) 9.123 7.304 ( 2.068 -3.463 -0.397) 4.053 7.304 ( 2.068 3.463 -0.397) 4.053 7.510 ( 13.537 -4.176 1.022) 14.203 7.510 ( 13.537 4.176 1.022) 14.203 7.778 ( 1.456 -5.313 0.073) 5.509 7.778 ( 1.456 5.313 0.073) 5.509 8.049 ( 0.439 -2.137 -2.288) 3.161 8.049 ( 0.439 2.137 -2.288) 3.161 8.329 ( 2.579 -6.371 3.878) 7.891 8.329 ( 2.579 6.371 3.878) 7.891 8.562 ( -0.881 -1.841 7.222) 7.505 8.562 ( -0.881 1.841 7.222) 7.505 8.906 ( -0.207 -5.410 -0.167) 5.416 8.906 ( -0.207 5.410 -0.167) 5.416 9.177 ( 7.629 -5.877 0.449) 9.641 9.177 ( 7.629 5.877 0.449) 9.641 9.432 ( -7.925 -7.388 -3.325) 11.333 9.432 ( -7.925 7.388 -3.325) 11.333 9.679 ( 0.111 -10.363 0.065) 10.364 9.679 ( 0.111 10.363 0.065) 10.364 9.847 ( -0.302 -3.838 -0.569) 3.892 9.847 ( -0.302 3.838 -0.569) 3.892 10.039 ( 0.630 -5.745 1.229) 5.909 10.039 ( 0.630 5.745 1.229) 5.909 10.376 ( -2.658 -5.219 12.210) 13.542 10.376 ( -2.658 5.219 12.210) 13.542 10.624 ( -8.888 -3.400 6.155) 11.333 10.624 ( -8.888 3.400 6.155) 11.333 11.100 ( 13.856 -20.301 8.712) 26.078 11.100 ( 13.856 20.301 8.712) 26.078 11.761 ( 3.061 -2.014 -3.323) 4.947 11.761 ( 3.061 2.014 -3.323) 4.947 12.154 ( -1.735 -4.023 -3.384) 5.536 12.154 ( -1.735 4.023 -3.384) 5.536 12.220 ( 0.086 -5.683 0.561) 5.711 12.220 ( 0.086 5.683 0.561) 5.711 12.681 ( 1.776 -1.777 -1.969) 3.192 12.681 ( 1.776 1.777 -1.969) 3.192 12.904 ( -2.010 -2.403 1.668) 3.549 12.904 ( -2.010 2.403 1.668) 3.549 13.495 ( 1.620 -3.696 -4.066) 5.729 13.495 ( 1.620 3.696 -4.066) 5.729 13.725 ( -0.932 -12.014 2.847) 12.382 13.725 ( -0.932 12.014 2.847) 12.382 14.454 ( -6.366 -14.785 -4.613) 16.746 14.454 ( -6.366 14.785 -4.613) 16.746 16.060 ( 1.015 -4.685 -0.750) 4.852 16.060 ( 1.015 4.685 -0.750) 4.852 16.366 ( -5.686 -8.247 -7.560) 12.550 16.366 ( -5.686 8.247 -7.560) 12.550 ======================= Grid point 69 (37/96) ======================= q-point: ( 0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( 7.592 -1.745 11.544) 13.927 1.328 ( 7.592 1.745 11.544) 13.927 1.472 ( 12.431 -5.924 6.699) 15.314 1.472 ( 12.431 5.924 6.699) 15.314 1.776 ( -4.624 -1.365 7.696) 9.081 1.776 ( -4.624 1.365 7.696) 9.081 1.830 ( 6.483 -0.681 1.975) 6.812 1.830 ( 6.483 0.681 1.975) 6.812 1.974 ( 0.081 -3.818 -0.060) 3.819 1.974 ( 0.081 3.818 -0.060) 3.819 2.092 ( -2.921 -0.954 7.147) 7.780 2.092 ( -2.921 0.954 7.147) 7.780 2.152 ( -2.663 -4.365 -0.341) 5.124 2.152 ( -2.663 4.365 -0.341) 5.124 2.286 ( -7.482 -5.591 2.678) 9.716 2.286 ( -7.482 5.591 2.678) 9.716 2.392 ( -2.601 -2.181 0.883) 3.507 2.392 ( -2.601 2.181 0.883) 3.507 2.550 ( -1.315 -3.593 -3.670) 5.302 2.550 ( -1.315 3.593 -3.670) 5.302 2.654 ( -4.271 -1.244 2.515) 5.110 2.654 ( -4.271 1.244 2.515) 5.110 2.860 ( -4.001 -1.124 3.034) 5.145 2.860 ( -4.001 1.124 3.034) 5.145 2.909 ( -7.024 -3.943 -0.161) 8.057 2.909 ( -7.024 3.943 -0.161) 8.057 3.078 ( -1.581 -8.654 4.430) 9.850 3.078 ( -1.581 8.654 4.430) 9.850 3.391 ( 8.946 -6.542 5.866) 12.539 3.391 ( 8.946 6.542 5.866) 12.539 3.528 ( -1.705 -3.767 -1.899) 4.550 3.528 ( -1.705 3.767 -1.899) 4.550 3.811 ( 6.238 -5.953 -0.173) 8.624 3.811 ( 6.238 5.953 -0.173) 8.624 4.104 ( 0.276 -5.398 8.467) 10.045 4.104 ( 0.276 5.398 8.467) 10.045 4.287 ( -1.228 -3.149 -3.932) 5.185 4.287 ( -1.228 3.149 -3.932) 5.185 4.501 ( -0.924 -1.927 -1.006) 2.362 4.501 ( -0.924 1.927 -1.006) 2.362 4.644 ( -7.084 -4.562 -9.068) 12.378 4.644 ( -7.084 4.562 -9.068) 12.378 4.909 ( 3.980 -4.444 -1.349) 6.116 4.909 ( 3.980 4.444 -1.349) 6.116 5.360 ( -2.044 -2.189 -1.449) 3.327 5.360 ( -2.044 2.189 -1.449) 3.327 5.535 ( 1.956 -4.111 -0.374) 4.568 5.535 ( 1.956 4.111 -0.374) 4.568 5.825 ( -0.213 -3.760 1.692) 4.129 5.825 ( -0.213 3.760 1.692) 4.129 6.232 ( -0.565 -5.655 1.435) 5.861 6.232 ( -0.565 5.655 1.435) 5.861 6.578 ( 4.949 -3.331 0.015) 5.966 6.578 ( 4.949 3.331 0.015) 5.966 6.792 ( -3.560 -2.807 -5.100) 6.823 6.792 ( -3.560 2.807 -5.100) 6.823 6.886 ( -0.108 -0.277 0.990) 1.034 6.886 ( -0.108 0.277 0.990) 1.034 7.310 ( -0.830 -5.725 2.202) 6.190 7.310 ( -0.830 5.725 2.202) 6.190 7.696 ( 4.236 -6.182 1.321) 7.610 7.696 ( 4.236 6.182 1.321) 7.610 7.848 ( 5.852 -8.939 -2.449) 10.961 7.848 ( 5.852 8.939 -2.449) 10.961 8.076 ( 3.826 -2.217 -2.057) 4.877 8.076 ( 3.826 2.217 -2.057) 4.877 8.376 ( -1.352 -3.184 5.761) 6.720 8.376 ( -1.352 3.184 5.761) 6.720 8.563 ( -0.127 -1.194 2.088) 2.408 8.563 ( -0.127 1.194 2.088) 2.408 8.869 ( -2.077 -5.138 -2.827) 6.221 8.869 ( -2.077 5.138 -2.827) 6.221 9.234 ( -3.994 -1.601 -5.828) 7.244 9.234 ( -3.994 1.601 -5.828) 7.244 9.392 ( 7.099 -4.423 2.252) 8.662 9.392 ( 7.099 4.423 2.252) 8.662 9.654 ( -2.283 -9.721 -0.026) 9.986 9.654 ( -2.283 9.721 -0.026) 9.986 9.839 ( 0.608 -3.839 -3.830) 5.457 9.839 ( 0.608 3.839 -3.830) 5.457 10.038 ( -0.738 -7.732 0.041) 7.767 10.038 ( -0.738 7.732 0.041) 7.767 10.356 ( -7.687 -2.678 8.656) 11.882 10.356 ( -7.687 2.678 8.656) 11.882 10.540 ( -2.610 -4.344 8.306) 9.730 10.540 ( -2.610 4.344 8.306) 9.730 11.346 ( 7.674 -15.300 6.497) 18.308 11.346 ( 7.674 15.300 6.497) 18.308 11.844 ( 6.906 -5.481 -1.036) 8.877 11.844 ( 6.906 5.481 -1.036) 8.877 12.095 ( -2.809 -8.583 -3.307) 9.618 12.095 ( -2.809 8.583 -3.307) 9.618 12.188 ( -2.841 -3.507 -0.318) 4.525 12.188 ( -2.841 3.507 -0.318) 4.525 12.711 ( 2.745 -2.314 -2.790) 4.547 12.711 ( 2.745 2.314 -2.790) 4.547 12.863 ( -3.074 -3.016 1.311) 4.502 12.863 ( -3.074 3.016 1.311) 4.502 13.500 ( 1.349 -2.025 -3.778) 4.494 13.500 ( 1.349 2.025 -3.778) 4.494 13.722 ( -0.872 -11.399 2.125) 11.628 13.722 ( -0.872 11.399 2.125) 11.628 14.350 ( -3.031 -12.739 -2.005) 13.248 14.350 ( -3.031 12.739 -2.005) 13.248 16.040 ( -1.516 -8.144 -2.286) 8.594 16.040 ( -1.516 8.144 -2.286) 8.594 16.282 ( -0.843 -3.080 -3.442) 4.695 16.282 ( -0.843 3.080 -3.442) 4.695 ======================= Grid point 71 (38/96) ======================= q-point: ( 0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 4.420 -0.277 9.557) 10.533 1.502 ( 4.420 0.277 9.557) 10.533 1.645 ( -4.215 -2.463 6.404) 8.053 1.645 ( -4.215 2.463 6.404) 8.053 1.737 ( 4.844 -1.969 4.082) 6.633 1.737 ( 4.844 1.969 4.082) 6.633 1.876 ( -6.750 -5.968 0.624) 9.031 1.876 ( -6.750 5.968 0.624) 9.031 2.028 ( 2.652 -0.780 0.088) 2.766 2.028 ( 2.652 0.780 0.088) 2.766 2.075 ( -2.285 -0.562 5.393) 5.884 2.075 ( -2.285 0.562 5.393) 5.884 2.140 ( 2.702 -2.855 2.369) 4.589 2.140 ( 2.702 2.855 2.369) 4.589 2.208 ( -2.486 -1.901 1.876) 3.649 2.208 ( -2.486 1.901 1.876) 3.649 2.320 ( -2.818 -5.348 0.233) 6.050 2.320 ( -2.818 5.348 0.233) 6.050 2.450 ( -3.083 -1.918 -0.775) 3.713 2.450 ( -3.083 1.918 -0.775) 3.713 2.637 ( 0.876 -2.636 0.313) 2.795 2.637 ( 0.876 2.636 0.313) 2.795 2.709 ( -6.723 -7.350 -1.128) 10.024 2.709 ( -6.723 7.350 -1.128) 10.024 2.942 ( -0.298 -3.755 9.066) 9.817 2.942 ( -0.298 3.755 9.066) 9.817 3.062 ( -1.499 -4.396 3.964) 6.106 3.062 ( -1.499 4.396 3.964) 6.106 3.412 ( -3.919 -1.642 -0.221) 4.255 3.412 ( -3.919 1.642 -0.221) 4.255 3.648 ( 8.930 -4.687 -2.778) 10.461 3.648 ( 8.930 4.687 -2.778) 10.461 3.894 ( 0.947 -5.202 -2.280) 5.758 3.894 ( 0.947 5.202 -2.280) 5.758 4.114 ( -4.887 -8.456 4.075) 10.582 4.114 ( -4.887 8.456 4.075) 10.582 4.193 ( -4.079 -3.543 0.388) 5.417 4.193 ( -4.079 3.543 0.388) 5.417 4.414 ( -0.177 -3.965 -6.883) 7.945 4.414 ( -0.177 3.965 -6.883) 7.945 4.636 ( 5.072 -3.914 2.251) 6.791 4.636 ( 5.072 3.914 2.251) 6.791 4.934 ( 0.360 -3.897 -3.666) 5.363 4.934 ( 0.360 3.897 -3.666) 5.363 5.332 ( -0.948 -3.057 -1.088) 3.380 5.332 ( -0.948 3.057 -1.088) 3.380 5.545 ( -0.350 -5.846 -1.744) 6.111 5.545 ( -0.350 5.846 -1.744) 6.111 5.832 ( -0.446 -5.071 0.099) 5.091 5.832 ( -0.446 5.071 0.099) 5.091 6.175 ( -3.275 -5.827 -5.672) 8.767 6.175 ( -3.275 5.827 -5.672) 8.767 6.675 ( 4.680 -2.930 -0.866) 5.589 6.675 ( 4.680 2.930 -0.866) 5.589 6.716 ( -2.296 -3.613 -1.030) 4.403 6.716 ( -2.296 3.613 -1.030) 4.403 6.920 ( 2.575 -1.843 4.847) 5.789 6.920 ( 2.575 1.843 4.847) 5.789 7.311 ( -0.504 -5.366 3.757) 6.570 7.311 ( -0.504 5.366 3.757) 6.570 7.736 ( -0.222 -5.947 2.104) 6.312 7.736 ( -0.222 5.947 2.104) 6.312 7.917 ( 3.447 -6.504 -2.556) 7.792 7.917 ( 3.447 6.504 -2.556) 7.792 8.132 ( 2.666 -1.660 -3.751) 4.893 8.132 ( 2.666 1.660 -3.751) 4.893 8.338 ( -4.155 -3.642 1.810) 5.814 8.338 ( -4.155 3.642 1.810) 5.814 8.598 ( 1.405 -2.321 2.749) 3.863 8.598 ( 1.405 2.321 2.749) 3.863 8.808 ( -1.995 -4.141 -4.555) 6.472 8.808 ( -1.995 4.141 -4.555) 6.472 9.151 ( -0.062 -6.294 -6.680) 9.178 9.151 ( -0.062 6.294 -6.680) 9.178 9.510 ( 1.715 -8.494 2.723) 9.083 9.510 ( 1.715 8.494 2.723) 9.083 9.617 ( -0.562 -3.499 0.153) 3.547 9.617 ( -0.562 3.499 0.153) 3.547 9.821 ( 0.282 -4.019 -6.753) 7.863 9.821 ( 0.282 4.019 -6.753) 7.863 10.020 ( -1.059 -7.670 0.302) 7.749 10.020 ( -1.059 7.670 0.302) 7.749 10.235 ( -7.154 -3.084 3.331) 8.473 10.235 ( -7.154 3.084 3.331) 8.473 10.566 ( -1.343 -6.676 10.152) 12.224 10.566 ( -1.343 6.676 10.152) 12.224 11.466 ( 1.831 -9.393 5.606) 11.091 11.466 ( 1.831 9.393 5.606) 11.091 11.948 ( 0.946 -5.544 -1.782) 5.900 11.948 ( 0.946 5.544 -1.782) 5.900 12.035 ( 1.388 -3.516 -2.575) 4.574 12.035 ( 1.388 3.516 -2.575) 4.574 12.152 ( -0.452 -2.104 1.480) 2.612 12.152 ( -0.452 2.104 1.480) 2.612 12.738 ( 1.548 -1.801 -4.120) 4.755 12.738 ( 1.548 1.801 -4.120) 4.755 12.819 ( -1.854 -4.407 1.614) 5.046 12.819 ( -1.854 4.407 1.614) 5.046 13.505 ( 1.366 -0.433 -3.457) 3.742 13.505 ( 1.366 0.433 -3.457) 3.742 13.715 ( -0.953 -11.772 1.474) 11.902 13.715 ( -0.953 11.772 1.474) 11.902 14.315 ( -0.156 -11.713 -0.441) 11.722 14.315 ( -0.156 11.713 -0.441) 11.722 16.009 ( -0.106 -7.987 -2.064) 8.250 16.009 ( -0.106 7.987 -2.064) 8.250 16.266 ( 0.371 -1.526 -2.595) 3.033 16.266 ( 0.371 1.526 -2.595) 3.033 ======================= Grid point 73 (39/96) ======================= q-point: (-0.44 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( -11.916 -0.836 7.223) 13.960 1.476 ( -11.916 0.836 7.223) 13.960 1.622 ( -7.746 -3.929 2.586) 9.062 1.622 ( -7.746 3.929 2.586) 9.062 1.663 ( -2.897 -2.125 6.034) 7.023 1.663 ( -2.897 2.125 6.034) 7.023 1.906 ( -1.063 -3.005 0.955) 3.328 1.906 ( -1.063 3.005 0.955) 3.328 1.975 ( -2.983 -1.958 0.502) 3.603 1.975 ( -2.983 1.958 0.502) 3.603 2.071 ( -3.531 -2.428 3.951) 5.829 2.071 ( -3.531 2.428 3.951) 5.829 2.111 ( 4.587 -2.107 1.199) 5.188 2.111 ( 4.587 2.107 1.199) 5.188 2.209 ( -1.965 -1.875 2.120) 3.446 2.209 ( -1.965 1.875 2.120) 3.446 2.406 ( 5.554 -4.002 1.815) 7.083 2.406 ( 5.554 4.002 1.815) 7.083 2.520 ( 6.849 -5.534 0.853) 8.847 2.520 ( 6.849 5.534 0.853) 8.847 2.613 ( -1.870 -4.987 3.588) 6.422 2.613 ( -1.870 4.987 3.588) 6.422 2.691 ( 4.656 -1.090 -0.256) 4.789 2.691 ( 4.656 1.090 -0.256) 4.789 2.932 ( -3.315 -6.343 5.828) 9.229 2.932 ( -3.315 6.343 5.828) 9.229 3.085 ( 1.520 -2.646 -0.072) 3.052 3.085 ( 1.520 2.646 -0.072) 3.052 3.330 ( -6.901 -3.159 1.234) 7.690 3.330 ( -6.901 3.159 1.234) 7.690 3.605 ( -8.569 -11.945 -6.815) 16.203 3.605 ( -8.569 11.945 -6.815) 16.203 3.842 ( -1.164 -4.589 -1.577) 4.990 3.842 ( -1.164 4.589 -1.577) 4.990 4.045 ( -2.787 -8.479 2.978) 9.409 4.045 ( -2.787 8.479 2.978) 9.409 4.249 ( 6.153 -3.376 0.371) 7.028 4.249 ( 6.153 3.376 0.371) 7.028 4.444 ( 4.698 -1.777 -2.740) 5.721 4.444 ( 4.698 1.777 -2.740) 5.721 4.740 ( 2.504 -4.431 -0.238) 5.095 4.740 ( 2.504 4.431 -0.238) 5.095 4.915 ( 1.254 -5.058 -1.410) 5.398 4.915 ( 1.254 5.058 -1.410) 5.398 5.281 ( -3.993 -1.389 -4.242) 5.989 5.281 ( -3.993 1.389 -4.242) 5.989 5.507 ( -2.147 -7.690 -2.490) 8.363 5.507 ( -2.147 7.690 -2.490) 8.363 5.784 ( -2.985 -8.024 -4.216) 9.543 5.784 ( -2.985 8.024 -4.216) 9.543 6.115 ( -0.262 -4.080 -1.797) 4.466 6.115 ( -0.262 4.080 -1.797) 4.466 6.673 ( -2.485 -3.689 0.969) 4.553 6.673 ( -2.485 3.689 0.969) 4.553 6.744 ( 3.518 -2.781 -0.796) 4.555 6.744 ( 3.518 2.781 -0.796) 4.555 7.021 ( 4.388 -1.055 4.439) 6.331 7.021 ( 4.388 1.055 4.439) 6.331 7.340 ( 0.884 -3.141 5.201) 6.139 7.340 ( 0.884 3.141 5.201) 6.139 7.721 ( -1.961 -5.099 1.461) 5.655 7.721 ( -1.961 5.099 1.461) 5.655 7.954 ( 1.510 -6.395 -3.289) 7.348 7.954 ( 1.510 6.395 -3.289) 7.348 8.143 ( 1.644 -3.712 -2.077) 4.560 8.143 ( 1.644 3.712 -2.077) 4.560 8.251 ( -5.703 -6.871 -0.473) 8.942 8.251 ( -5.703 6.871 -0.473) 8.942 8.609 ( -2.014 -0.533 1.888) 2.812 8.609 ( -2.014 0.533 1.888) 2.812 8.760 ( -0.375 -5.496 -5.091) 7.501 8.760 ( -0.375 5.496 -5.091) 7.501 9.161 ( 4.703 -9.675 -7.729) 13.247 9.161 ( 4.703 9.675 -7.729) 13.247 9.481 ( -4.547 -8.316 3.127) 9.980 9.481 ( -4.547 8.316 3.127) 9.980 9.622 ( -0.900 -1.449 -0.757) 1.866 9.622 ( -0.900 1.449 -0.757) 1.866 9.776 ( -0.295 -3.820 -6.800) 7.805 9.776 ( -0.295 3.820 -6.800) 7.805 10.013 ( 0.071 -3.490 -0.138) 3.493 10.013 ( 0.071 3.490 -0.138) 3.493 10.151 ( -3.062 -4.633 1.704) 5.809 10.151 ( -3.062 4.633 1.704) 5.809 10.602 ( -0.552 -10.212 10.964) 14.993 10.602 ( -0.552 10.212 10.964) 14.993 11.451 ( -6.845 -16.682 3.582) 18.384 11.451 ( -6.845 16.682 3.582) 18.384 11.904 ( -0.928 -7.719 -2.436) 8.147 11.904 ( -0.928 7.719 -2.436) 8.147 12.068 ( 0.907 -1.510 0.858) 1.959 12.068 ( 0.907 1.510 0.858) 1.959 12.209 ( 4.380 -5.106 1.098) 6.816 12.209 ( 4.380 5.106 1.098) 6.816 12.714 ( -1.019 -2.160 -4.039) 4.692 12.714 ( -1.019 2.160 -4.039) 4.692 12.825 ( 1.145 -3.334 1.005) 3.665 12.825 ( 1.145 3.334 1.005) 3.665 13.512 ( 1.270 -2.165 -3.201) 4.068 13.512 ( 1.270 2.165 -3.201) 4.068 13.703 ( -0.989 -12.094 0.972) 12.173 13.703 ( -0.989 12.094 0.972) 12.173 14.339 ( 2.927 -12.668 0.504) 13.012 14.339 ( 2.927 12.668 0.504) 13.012 16.014 ( 1.486 -6.933 -1.969) 7.359 16.014 ( 1.486 6.933 -1.969) 7.359 16.266 ( 1.591 -2.214 -2.608) 3.773 16.266 ( 1.591 2.214 -2.608) 3.773 ======================= Grid point 75 (40/96) ======================= q-point: (-0.33 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( -14.752 -4.305 5.914) 16.466 1.258 ( -14.752 4.305 5.914) 16.466 1.363 ( -17.240 -7.530 5.481) 19.595 1.363 ( -17.240 7.530 5.481) 19.595 1.724 ( 0.143 -1.405 4.629) 4.840 1.724 ( 0.143 1.405 4.629) 4.840 1.811 ( -2.863 -2.882 2.933) 5.010 1.811 ( -2.863 2.882 2.933) 5.010 1.984 ( -0.879 -2.930 2.162) 3.746 1.984 ( -0.879 2.930 2.162) 3.746 2.067 ( -0.913 -2.881 5.217) 6.029 2.067 ( -0.913 2.881 5.217) 6.029 2.154 ( -1.619 -3.438 -1.906) 4.251 2.154 ( -1.619 3.438 -1.906) 4.251 2.252 ( 6.479 -1.025 1.787) 6.799 2.252 ( 6.479 1.025 1.787) 6.799 2.469 ( 0.919 -3.237 -0.018) 3.365 2.469 ( 0.919 3.237 -0.018) 3.365 2.570 ( -1.733 -1.037 7.481) 7.749 2.570 ( -1.733 1.037 7.481) 7.749 2.662 ( 2.027 -1.898 2.485) 3.726 2.662 ( 2.027 1.898 2.485) 3.726 2.776 ( 2.245 -3.218 -2.213) 4.504 2.776 ( 2.245 3.218 -2.213) 4.504 2.963 ( 1.144 -4.053 0.994) 4.327 2.963 ( 1.144 4.053 0.994) 4.327 3.094 ( -0.756 -6.211 -4.304) 7.594 3.094 ( -0.756 6.211 -4.304) 7.594 3.162 ( -0.969 -5.922 0.920) 6.070 3.162 ( -0.969 5.922 0.920) 6.070 3.504 ( -0.981 -3.970 0.309) 4.101 3.504 ( -0.981 3.970 0.309) 4.101 3.825 ( -0.936 -7.047 3.412) 7.885 3.825 ( -0.936 7.047 3.412) 7.885 4.029 ( -0.548 -6.418 1.344) 6.580 4.029 ( -0.548 6.418 1.344) 6.580 4.337 ( 3.026 -3.628 -1.082) 4.847 4.337 ( 3.026 3.628 -1.082) 4.847 4.524 ( 4.103 -1.173 -1.258) 4.449 4.524 ( 4.103 1.173 -1.258) 4.449 4.676 ( -4.798 -7.959 -7.401) 11.880 4.676 ( -4.798 7.959 -7.401) 11.880 4.987 ( 3.392 -3.730 1.854) 5.372 4.987 ( 3.392 3.730 1.854) 5.372 5.124 ( -8.340 -2.065 -8.839) 12.327 5.124 ( -8.340 2.065 -8.839) 12.327 5.467 ( -0.156 -6.171 -1.400) 6.329 5.467 ( -0.156 6.171 -1.400) 6.329 5.722 ( -0.762 -9.080 -3.550) 9.779 5.722 ( -0.762 9.080 -3.550) 9.779 6.121 ( 0.181 -1.840 1.039) 2.121 6.121 ( 0.181 1.840 1.039) 2.121 6.635 ( -2.455 -1.783 1.276) 3.292 6.635 ( -2.455 1.783 1.276) 3.292 6.794 ( 1.765 -1.687 0.671) 2.532 6.794 ( 1.765 1.687 0.671) 2.532 7.106 ( 3.047 -3.290 1.248) 4.655 7.106 ( 3.047 3.290 1.248) 4.655 7.380 ( -0.319 -0.538 4.939) 4.978 7.380 ( -0.319 0.538 4.939) 4.978 7.703 ( -0.517 -5.907 1.948) 6.242 7.703 ( -0.517 5.907 1.948) 6.242 7.914 ( -2.605 -3.611 -6.462) 7.847 7.914 ( -2.605 3.611 -6.462) 7.847 8.126 ( -4.714 -5.411 -1.099) 7.260 8.126 ( -4.714 5.411 -1.099) 7.260 8.215 ( 2.528 -5.175 5.889) 8.237 8.215 ( 2.528 5.175 5.889) 8.237 8.541 ( -5.632 -5.900 -0.457) 8.169 8.541 ( -5.632 5.900 -0.457) 8.169 8.720 ( -1.309 -6.080 -5.326) 8.189 8.720 ( -1.309 6.080 -5.326) 8.189 9.183 ( -0.604 -7.047 -6.030) 9.294 9.183 ( -0.604 7.047 -6.030) 9.294 9.436 ( 0.631 -7.776 0.582) 7.823 9.436 ( 0.631 7.776 0.582) 7.823 9.576 ( -1.578 -4.318 -3.021) 5.501 9.576 ( -1.578 4.318 -3.021) 5.501 9.756 ( 0.888 -1.617 -3.742) 4.172 9.756 ( 0.888 1.617 -3.742) 4.172 10.009 ( -0.218 -0.971 -0.363) 1.059 10.009 ( -0.218 0.971 -0.363) 1.059 10.148 ( 1.024 -4.660 2.694) 5.479 10.148 ( 1.024 4.660 2.694) 5.479 10.667 ( 0.400 -11.197 12.053) 16.456 10.667 ( 0.400 11.197 12.053) 16.456 11.266 ( -13.429 -20.457 1.492) 24.516 11.266 ( -13.429 20.457 1.492) 24.516 11.885 ( -1.132 -2.914 0.384) 3.149 11.885 ( -1.132 2.914 0.384) 3.149 12.109 ( 3.052 -2.115 0.941) 3.831 12.109 ( 3.052 2.115 0.941) 3.831 12.262 ( 0.522 -1.824 -0.798) 2.058 12.262 ( 0.522 1.824 -0.798) 2.058 12.676 ( -0.757 -1.603 -3.456) 3.885 12.676 ( -0.757 1.603 -3.456) 3.885 12.856 ( 1.519 -1.800 0.821) 2.494 12.856 ( 1.519 1.800 0.821) 2.494 13.516 ( 0.952 -3.905 -3.124) 5.091 13.516 ( 0.952 3.905 -3.124) 5.091 13.692 ( -0.724 -11.936 0.779) 11.983 13.692 ( -0.724 11.936 0.779) 11.983 14.433 ( 6.827 -15.060 1.105) 16.572 14.433 ( 6.827 15.060 1.105) 16.572 16.020 ( 0.109 -3.495 -3.159) 4.712 16.020 ( 0.109 3.495 -3.159) 4.712 16.320 ( 6.356 -7.217 -2.430) 9.919 16.320 ( 6.356 7.217 -2.430) 9.919 ======================= Grid point 77 (41/96) ======================= q-point: (-0.22 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( -12.225 -12.237 4.693) 17.923 1.025 ( -12.225 12.237 4.693) 17.923 1.097 ( -16.021 -6.040 13.590) 21.860 1.097 ( -16.021 6.040 13.590) 21.860 1.666 ( -7.528 -0.895 0.303) 7.587 1.666 ( -7.528 0.895 0.303) 7.587 1.841 ( 1.380 -0.669 6.023) 6.215 1.841 ( 1.380 0.669 6.023) 6.215 1.972 ( -2.049 -0.914 4.053) 4.632 1.972 ( -2.049 0.914 4.053) 4.632 2.079 ( -0.134 -4.278 1.704) 4.607 2.079 ( -0.134 4.278 1.704) 4.607 2.118 ( -2.429 -1.111 1.716) 3.174 2.118 ( -2.429 1.111 1.716) 3.174 2.363 ( 4.506 -1.142 1.528) 4.893 2.363 ( 4.506 1.142 1.528) 4.893 2.446 ( -6.170 -2.383 4.424) 7.957 2.446 ( -6.170 2.383 4.424) 7.957 2.546 ( -0.028 -1.760 2.770) 3.281 2.546 ( -0.028 1.760 2.770) 3.281 2.708 ( 2.556 -0.348 0.505) 2.629 2.708 ( 2.556 0.348 0.505) 2.629 2.802 ( 0.361 -4.277 3.005) 5.240 2.802 ( 0.361 4.277 3.005) 5.240 2.864 ( -1.827 -6.117 -4.167) 7.624 2.864 ( -1.827 6.117 -4.167) 7.624 3.154 ( 5.325 -4.246 -0.013) 6.810 3.154 ( 5.325 4.246 -0.013) 6.810 3.330 ( 12.159 -2.954 -1.608) 12.616 3.330 ( 12.159 2.954 -1.608) 12.616 3.504 ( -0.678 -0.858 2.826) 3.031 3.504 ( -0.678 0.858 2.826) 3.031 3.838 ( -0.918 -4.572 5.291) 7.053 3.838 ( -0.918 4.572 5.291) 7.053 4.046 ( 2.247 -4.577 0.277) 5.106 4.046 ( 2.247 4.577 0.277) 5.106 4.346 ( -1.832 -1.861 -0.038) 2.612 4.346 ( -1.832 1.861 -0.038) 2.612 4.530 ( -3.105 -5.691 -3.425) 7.332 4.530 ( -3.105 5.691 -3.425) 7.332 4.579 ( 0.637 -4.245 -5.785) 7.203 4.579 ( 0.637 4.245 -5.785) 7.203 4.922 ( -7.573 -3.483 -4.784) 9.611 4.922 ( -7.573 3.483 -4.784) 9.611 4.998 ( -2.899 -4.607 -0.858) 5.510 4.998 ( -2.899 4.607 -0.858) 5.510 5.498 ( 3.812 -3.351 -1.340) 5.249 5.498 ( 3.812 3.351 -1.340) 5.249 5.712 ( 1.101 -9.268 -2.898) 9.772 5.712 ( 1.101 9.268 -2.898) 9.772 6.115 ( -1.328 -1.489 0.267) 2.013 6.115 ( -1.328 1.489 0.267) 2.013 6.575 ( -5.381 -1.323 1.512) 5.744 6.575 ( -5.381 1.323 1.512) 5.744 6.826 ( 1.442 -2.105 1.824) 3.137 6.826 ( 1.442 2.105 1.824) 3.137 7.150 ( 1.688 -5.361 -1.179) 5.743 7.150 ( 1.688 5.361 -1.179) 5.743 7.385 ( -0.792 -0.885 3.189) 3.403 7.385 ( -0.792 0.885 3.189) 3.403 7.689 ( -6.042 -6.384 3.642) 9.514 7.689 ( -6.042 6.384 3.642) 9.514 7.832 ( -1.384 -2.453 -3.596) 4.567 7.832 ( -1.384 2.453 -3.596) 4.567 8.042 ( -5.516 -8.921 1.700) 10.625 8.042 ( -5.516 8.921 1.700) 10.625 8.241 ( -5.617 -12.246 4.100) 14.083 8.241 ( -5.617 12.246 4.100) 14.083 8.427 ( -4.114 -13.192 0.741) 13.839 8.427 ( -4.114 13.192 0.741) 13.839 8.673 ( -0.385 -3.289 -1.883) 3.810 8.673 ( -0.385 3.289 -1.883) 3.810 9.084 ( -4.805 -4.362 -2.766) 7.055 9.084 ( -4.805 4.362 -2.766) 7.055 9.479 ( 0.082 -6.162 -3.582) 7.128 9.479 ( 0.082 6.162 -3.582) 7.128 9.567 ( 4.532 -5.782 -3.532) 8.152 9.567 ( 4.532 5.782 -3.532) 8.152 9.760 ( 1.399 -1.919 -1.500) 2.809 9.760 ( 1.399 1.919 -1.500) 2.809 10.011 ( 0.144 -2.151 1.354) 2.546 10.011 ( 0.144 2.151 1.354) 2.546 10.201 ( 2.633 -3.483 3.512) 5.603 10.201 ( 2.633 3.483 3.512) 5.603 10.714 ( -4.273 -7.006 12.204) 14.707 10.714 ( -4.273 7.006 12.204) 14.707 11.032 ( -10.586 -12.822 3.094) 16.913 11.032 ( -10.586 12.822 3.094) 16.913 11.864 ( -1.475 -0.951 1.067) 2.054 11.864 ( -1.475 0.951 1.067) 2.054 12.159 ( 0.033 -2.874 -0.095) 2.876 12.159 ( 0.033 2.874 -0.095) 2.876 12.233 ( -0.682 -1.883 -2.353) 3.090 12.233 ( -0.682 1.883 -2.353) 3.090 12.650 ( -0.211 -1.319 -2.636) 2.955 12.650 ( -0.211 1.319 -2.636) 2.955 12.887 ( 1.084 -1.609 1.150) 2.256 12.887 ( 1.084 1.609 1.150) 2.256 13.511 ( 0.415 -5.237 -3.356) 6.234 13.511 ( 0.415 5.237 -3.356) 6.234 13.688 ( -0.186 -12.258 1.246) 12.322 13.688 ( -0.186 12.258 1.246) 12.322 14.600 ( 10.146 -16.322 0.445) 19.224 14.600 ( 10.146 16.322 0.445) 19.224 15.982 ( -1.822 -1.521 -3.895) 4.562 15.982 ( -1.822 1.521 -3.895) 4.562 16.479 ( 12.419 -12.633 -4.561) 18.293 16.479 ( 12.419 12.633 -4.561) 18.293 ======================= Grid point 79 (42/96) ======================= q-point: (-0.11 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( -9.147 -7.743 10.898) 16.198 0.872 ( -9.147 7.743 10.898) 16.198 0.975 ( -4.869 -10.493 15.050) 18.982 0.975 ( -4.869 10.493 15.050) 18.982 1.473 ( -11.415 -13.187 1.232) 17.485 1.473 ( -11.415 13.187 1.232) 17.485 1.890 ( 0.263 -0.336 3.686) 3.711 1.890 ( 0.263 0.336 3.686) 3.711 1.963 ( -1.169 -0.505 4.396) 4.577 1.963 ( -1.169 0.505 4.396) 4.577 2.044 ( -5.026 -2.884 5.179) 7.772 2.044 ( -5.026 2.884 5.179) 7.772 2.105 ( 0.002 -3.531 3.545) 5.004 2.105 ( 0.002 3.531 3.545) 5.004 2.354 ( -4.099 -0.616 4.872) 6.396 2.354 ( -4.099 0.616 4.872) 6.396 2.452 ( 3.533 -3.614 2.034) 5.448 2.452 ( 3.533 3.614 2.034) 5.448 2.632 ( 5.949 -3.244 -1.291) 6.898 2.632 ( 5.949 3.244 -1.291) 6.898 2.740 ( 0.381 -2.186 0.692) 2.324 2.740 ( 0.381 2.186 0.692) 2.324 2.792 ( 0.083 -4.224 1.666) 4.542 2.792 ( 0.083 4.224 1.666) 4.542 2.926 ( 5.017 -1.959 4.372) 6.937 2.926 ( 5.017 1.959 4.372) 6.937 3.262 ( 6.051 -3.919 0.112) 7.210 3.262 ( 6.051 3.919 0.112) 7.210 3.433 ( -3.300 -3.554 -4.058) 6.324 3.433 ( -3.300 3.554 -4.058) 6.324 3.516 ( 2.446 -7.088 -0.555) 7.519 3.516 ( 2.446 7.088 -0.555) 7.519 3.857 ( 0.850 -3.277 4.552) 5.673 3.857 ( 0.850 3.277 4.552) 5.673 4.077 ( 0.308 -3.278 -1.696) 3.703 4.077 ( 0.308 3.278 -1.696) 3.703 4.286 ( -4.649 -2.324 1.194) 5.332 4.286 ( -4.649 2.324 1.194) 5.332 4.508 ( 3.228 -7.958 -1.988) 8.814 4.508 ( 3.228 7.958 -1.988) 8.814 4.572 ( 2.666 -2.856 -4.288) 5.801 4.572 ( 2.666 2.856 -4.288) 5.801 4.833 ( -3.539 -7.967 2.517) 9.074 4.833 ( -3.539 7.967 2.517) 9.074 4.939 ( 1.316 -3.754 6.797) 7.875 4.939 ( 1.316 3.754 6.797) 7.875 5.566 ( 4.027 -5.248 -2.050) 6.925 5.566 ( 4.027 5.248 -2.050) 6.925 5.709 ( 0.143 -8.221 -4.396) 9.324 5.709 ( 0.143 8.221 -4.396) 9.324 6.084 ( -1.748 -2.334 0.225) 2.924 6.084 ( -1.748 2.334 0.225) 2.924 6.462 ( -6.265 -3.286 0.490) 7.092 6.462 ( -6.265 3.286 0.490) 7.092 6.874 ( 2.284 -0.409 2.355) 3.306 6.874 ( 2.284 0.409 2.355) 3.306 7.160 ( 0.524 -6.900 -2.582) 7.386 7.160 ( 0.524 6.900 -2.582) 7.386 7.326 ( -29.894 -20.489 9.172) 37.384 7.326 ( -29.894 20.489 9.172) 37.384 7.414 ( -6.451 -3.818 4.921) 8.967 7.414 ( -6.451 3.818 4.921) 8.967 7.814 ( 0.030 -3.330 -2.811) 4.358 7.814 ( 0.030 3.330 -2.811) 4.358 7.977 ( -1.094 -12.253 10.035) 15.875 7.977 ( -1.094 12.253 10.035) 15.875 8.173 ( 0.406 -7.096 -2.499) 7.535 8.173 ( 0.406 7.096 -2.499) 7.535 8.379 ( -3.585 -10.766 2.282) 11.574 8.379 ( -3.585 10.766 2.282) 11.574 8.693 ( 0.992 -1.744 3.856) 4.347 8.693 ( 0.992 1.744 3.856) 4.347 9.049 ( 2.912 -1.229 -0.130) 3.163 9.049 ( 2.912 1.229 -0.130) 3.163 9.403 ( -5.111 -2.208 1.428) 5.748 9.403 ( -5.111 2.208 1.428) 5.748 9.645 ( 5.019 -3.103 -7.074) 9.212 9.645 ( 5.019 3.103 -7.074) 9.212 9.803 ( 2.935 -2.518 1.356) 4.098 9.803 ( 2.935 2.518 1.356) 4.098 10.022 ( -0.579 -2.897 3.751) 4.775 10.022 ( -0.579 2.897 3.751) 4.775 10.279 ( 3.520 -2.568 3.816) 5.792 10.279 ( 3.520 2.568 3.816) 5.792 10.614 ( -10.582 -2.642 10.245) 14.964 10.614 ( -10.582 2.642 10.245) 14.964 10.961 ( -2.154 -3.069 6.019) 7.092 10.961 ( -2.154 3.069 6.019) 7.092 11.844 ( -1.210 -0.887 -0.098) 1.503 11.844 ( -1.210 0.887 -0.098) 1.503 12.095 ( -3.942 -2.712 -0.062) 4.785 12.095 ( -3.942 2.712 -0.062) 4.785 12.248 ( 2.118 -2.634 -3.298) 4.722 12.248 ( 2.118 2.634 -3.298) 4.722 12.640 ( 0.383 -1.773 -1.378) 2.278 12.640 ( 0.383 1.773 -1.378) 2.278 12.907 ( 0.334 -2.351 1.502) 2.810 12.907 ( 0.334 2.351 1.502) 2.810 13.496 ( 0.176 -6.508 -3.755) 7.516 13.496 ( 0.176 6.508 -3.755) 7.516 13.698 ( 0.184 -13.564 2.195) 13.742 13.698 ( 0.184 13.564 2.195) 13.742 14.770 ( 7.383 -14.228 -3.226) 16.351 14.770 ( 7.383 14.228 -3.226) 16.351 15.933 ( -0.757 -2.463 -2.645) 3.692 15.933 ( -0.757 2.463 -2.645) 3.692 16.688 ( 12.822 -12.654 -11.397) 21.317 16.688 ( 12.822 12.654 -11.397) 21.317 ======================= Grid point 90 (43/96) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -1.513 0.000 18.735) 18.796 0.940 ( 1.875 0.000 20.058) 20.146 1.457 ( -2.611 0.000 10.751) 11.063 1.478 ( -2.748 0.000 11.120) 11.455 1.519 ( -0.841 0.000 3.929) 4.018 1.596 ( -2.643 0.000 21.426) 21.589 1.833 ( -2.337 0.000 -2.714) 3.582 1.964 ( -1.150 0.000 -0.983) 1.513 1.968 ( -2.372 0.000 2.354) 3.342 2.109 ( -3.328 0.000 7.662) 8.354 2.127 ( 0.080 0.000 6.356) 6.357 2.190 ( 0.765 0.000 0.089) 0.770 2.201 ( 1.493 0.000 3.181) 3.514 2.292 ( 1.353 0.000 5.978) 6.129 2.372 ( 0.023 0.000 -3.208) 3.208 2.439 ( 0.431 0.000 0.682) 0.807 2.482 ( -1.496 0.000 3.541) 3.845 2.578 ( 5.265 0.000 1.379) 5.443 2.606 ( 0.198 0.000 -6.185) 6.189 2.653 ( -3.953 0.000 -4.844) 6.252 2.704 ( 2.350 0.000 8.702) 9.014 2.818 ( 0.360 0.000 2.949) 2.971 2.978 ( -5.913 0.000 -4.879) 7.666 3.052 ( -2.748 0.000 16.060) 16.293 3.075 ( 7.421 0.000 -1.510) 7.574 3.263 ( -5.279 0.000 12.176) 13.271 3.321 ( -1.874 0.000 13.119) 13.252 3.348 ( 11.725 0.000 2.719) 12.036 3.379 ( -7.193 0.000 -1.533) 7.355 3.426 ( -1.520 0.000 -1.150) 1.906 3.630 ( -7.006 0.000 2.846) 7.562 3.651 ( 1.518 0.000 -2.818) 3.201 3.751 ( -1.414 0.000 9.185) 9.294 3.885 ( 0.646 0.000 -2.809) 2.882 4.020 ( -6.364 0.000 1.432) 6.523 4.057 ( 0.605 0.000 -2.178) 2.260 4.128 ( 2.901 0.000 -2.128) 3.598 4.227 ( 5.484 0.000 2.206) 5.911 4.371 ( -3.147 0.000 0.617) 3.207 4.505 ( -5.264 0.000 5.954) 7.947 4.599 ( 2.217 0.000 -4.523) 5.037 4.616 ( 4.732 0.000 -5.098) 6.956 4.731 ( 0.587 0.000 -5.183) 5.216 4.788 ( 0.114 0.000 -6.134) 6.136 5.309 ( 2.606 0.000 -2.673) 3.733 5.342 ( 0.722 0.000 -5.275) 5.325 5.518 ( 0.639 0.000 -9.490) 9.512 5.584 ( 6.046 0.000 -5.691) 8.303 5.678 ( 9.817 0.000 4.984) 11.010 5.814 ( 14.037 0.000 2.129) 14.198 6.114 ( 1.193 0.000 8.580) 8.662 6.149 ( 13.128 0.000 7.894) 15.319 6.344 ( -5.850 0.000 2.022) 6.189 6.475 ( -2.666 0.000 -0.778) 2.777 6.716 ( -0.809 0.000 -4.984) 5.050 6.799 ( -4.142 0.000 7.239) 8.340 6.933 ( -4.025 0.000 3.307) 5.210 6.943 ( -2.866 0.000 -1.388) 3.184 7.023 ( -3.609 0.000 -11.404) 11.962 7.345 ( -7.721 0.000 1.408) 7.848 7.469 ( -4.444 0.000 7.635) 8.834 7.557 ( 0.543 0.000 -0.794) 0.962 7.641 ( -2.231 0.000 4.718) 5.219 7.807 ( 0.150 0.000 -3.970) 3.973 7.950 ( 5.322 0.000 -1.209) 5.458 7.993 ( 2.641 0.000 -9.429) 9.792 8.157 ( -4.099 0.000 10.593) 11.358 8.410 ( 3.880 0.000 9.581) 10.337 8.505 ( -4.709 0.000 -0.673) 4.757 8.783 ( 4.624 0.000 -1.182) 4.772 8.884 ( 3.246 0.000 5.363) 6.269 8.903 ( -0.117 0.000 7.443) 7.444 8.993 ( 5.626 0.000 0.726) 5.672 9.183 ( -1.485 0.000 -4.569) 4.804 9.282 ( -4.469 0.000 1.851) 4.837 9.339 ( -2.159 0.000 0.015) 2.159 9.649 ( 2.503 0.000 -4.846) 5.454 9.670 ( -3.827 0.000 -2.447) 4.542 10.074 ( 5.075 0.000 1.157) 5.205 10.080 ( 4.661 0.000 5.496) 7.206 10.156 ( -1.991 0.000 -3.201) 3.770 10.264 ( -4.129 0.000 -0.801) 4.206 10.293 ( -1.784 0.000 4.278) 4.635 10.595 ( 3.452 0.000 0.999) 3.593 10.813 ( -5.153 0.000 15.923) 16.736 10.852 ( 4.722 0.000 8.099) 9.375 11.158 ( -8.145 0.000 12.098) 14.585 11.673 ( -1.294 0.000 -7.751) 7.858 11.715 ( -2.279 0.000 -2.916) 3.701 11.979 ( 1.197 0.000 -5.594) 5.720 12.089 ( -0.387 0.000 0.673) 0.776 12.133 ( 1.919 0.000 -7.945) 8.174 12.309 ( 3.352 0.000 6.363) 7.192 12.525 ( 3.181 0.000 3.639) 4.833 12.650 ( -5.754 0.000 -0.533) 5.779 12.674 ( 3.308 0.000 -0.675) 3.376 12.897 ( 0.784 0.000 1.986) 2.135 13.118 ( -0.205 0.000 0.377) 0.429 13.207 ( -2.133 0.000 0.807) 2.281 13.209 ( -2.205 0.000 -1.481) 2.656 13.296 ( 2.931 0.000 -1.880) 3.482 13.622 ( 1.295 0.000 -7.069) 7.186 14.303 ( -0.291 0.000 6.424) 6.431 14.860 ( -3.042 0.000 -8.865) 9.373 15.850 ( -1.293 0.000 -0.335) 1.336 15.935 ( 5.969 0.000 -0.981) 6.049 16.017 ( 4.152 0.000 1.926) 4.577 16.623 ( -0.835 0.000 -14.210) 14.235 ======================= Grid point 91 (44/96) ======================= q-point: ( 0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.940 ( 6.774 0.000 14.946) 16.410 1.156 ( 8.791 0.000 17.004) 19.142 1.504 ( 2.211 0.000 5.733) 6.144 1.516 ( -0.096 0.000 0.542) 0.551 1.536 ( 1.259 0.000 17.943) 17.987 1.714 ( 2.839 0.000 14.192) 14.473 1.788 ( -0.859 0.000 -2.222) 2.383 1.909 ( -0.454 0.000 -2.182) 2.229 1.997 ( 1.841 0.000 5.140) 5.460 2.075 ( -5.032 0.000 7.996) 9.448 2.136 ( -4.086 0.000 8.466) 9.401 2.185 ( 1.406 0.000 -3.814) 4.064 2.220 ( -0.637 0.000 0.990) 1.177 2.280 ( -2.657 0.000 2.176) 3.434 2.387 ( 1.173 0.000 1.242) 1.709 2.466 ( -1.706 0.000 3.306) 3.721 2.490 ( -0.325 0.000 5.822) 5.831 2.548 ( -2.699 0.000 -6.938) 7.445 2.567 ( -0.692 0.000 -8.929) 8.956 2.678 ( -3.657 0.000 1.359) 3.901 2.761 ( 1.179 0.000 7.210) 7.306 2.836 ( 3.264 0.000 5.398) 6.308 2.851 ( -5.425 0.000 -1.823) 5.723 3.110 ( -1.383 0.000 16.364) 16.422 3.140 ( -0.642 0.000 -4.613) 4.658 3.160 ( -11.167 0.000 3.972) 11.852 3.211 ( -8.588 0.000 4.766) 9.822 3.365 ( 1.255 0.000 1.322) 1.823 3.396 ( 1.365 0.000 11.343) 11.425 3.513 ( 0.347 0.000 1.056) 1.111 3.599 ( 0.374 0.000 7.974) 7.983 3.664 ( 2.586 0.000 -1.901) 3.210 3.728 ( -6.506 0.000 7.173) 9.684 3.929 ( -2.015 0.000 2.148) 2.946 3.933 ( 4.421 0.000 -4.305) 6.170 4.026 ( -2.208 0.000 -2.806) 3.570 4.175 ( 1.210 0.000 2.033) 2.366 4.284 ( -0.954 0.000 -2.325) 2.513 4.360 ( 5.250 0.000 3.762) 6.458 4.498 ( -0.833 0.000 7.089) 7.138 4.600 ( 0.603 0.000 -3.795) 3.842 4.692 ( -1.236 0.000 -7.448) 7.550 4.699 ( 5.587 0.000 -5.169) 7.611 4.779 ( 2.551 0.000 -5.805) 6.341 5.307 ( -0.815 0.000 -6.103) 6.157 5.389 ( 5.872 0.000 -4.511) 7.405 5.443 ( -1.994 0.000 -7.246) 7.515 5.509 ( -0.390 0.000 -15.032) 15.037 5.783 ( -1.181 0.000 0.865) 1.465 5.928 ( -0.760 0.000 -1.573) 1.746 6.331 ( 3.449 0.000 2.305) 4.148 6.350 ( -1.134 0.000 5.856) 5.965 6.445 ( 10.398 0.000 4.295) 11.251 6.525 ( 19.829 0.000 -0.241) 19.830 6.663 ( -3.332 0.000 1.626) 3.707 6.730 ( -6.485 0.000 4.241) 7.749 6.847 ( -3.707 0.000 -4.690) 5.978 6.888 ( -2.371 0.000 -0.458) 2.415 7.020 ( 8.044 0.000 0.942) 8.099 7.251 ( -2.879 0.000 6.027) 6.679 7.428 ( -3.243 0.000 5.770) 6.619 7.568 ( 0.646 0.000 0.595) 0.879 7.666 ( 1.449 0.000 3.766) 4.035 7.785 ( 0.091 0.000 -3.520) 3.521 8.034 ( 5.801 0.000 -6.279) 8.548 8.070 ( 7.755 0.000 -1.115) 7.834 8.169 ( -0.907 0.000 9.096) 9.142 8.442 ( -1.409 0.000 2.802) 3.136 8.469 ( -1.475 0.000 4.005) 4.268 8.866 ( 3.801 0.000 -3.257) 5.005 8.875 ( -8.096 0.000 8.980) 12.091 8.978 ( 4.000 0.000 -0.706) 4.062 9.021 ( -1.074 0.000 -0.201) 1.092 9.137 ( 0.268 0.000 -3.821) 3.831 9.312 ( 4.127 0.000 -1.196) 4.297 9.329 ( -0.029 0.000 6.910) 6.910 9.560 ( -5.638 0.000 -2.314) 6.094 9.653 ( 0.201 0.000 -3.684) 3.690 10.035 ( -6.372 0.000 -2.448) 6.826 10.100 ( -5.950 0.000 3.107) 6.712 10.133 ( 0.953 0.000 -1.625) 1.884 10.158 ( -5.445 0.000 -2.251) 5.891 10.368 ( 6.604 0.000 3.816) 7.627 10.694 ( 4.845 0.000 -1.395) 5.042 10.798 ( -4.408 0.000 12.276) 13.044 10.898 ( -3.258 0.000 15.839) 16.171 11.064 ( -10.096 0.000 16.449) 19.300 11.639 ( 2.185 0.000 -8.166) 8.453 11.698 ( 2.070 0.000 -2.613) 3.334 11.947 ( -1.389 0.000 -7.399) 7.528 12.095 ( 0.592 0.000 -0.011) 0.592 12.134 ( 1.882 0.000 -5.074) 5.412 12.369 ( -0.722 0.000 7.122) 7.159 12.549 ( -3.725 0.000 -1.339) 3.959 12.601 ( 1.947 0.000 3.840) 4.306 12.701 ( 0.778 0.000 -4.757) 4.820 12.930 ( 1.424 0.000 1.604) 2.144 13.121 ( -0.140 0.000 1.273) 1.280 13.179 ( -0.327 0.000 0.720) 0.791 13.180 ( -1.040 0.000 0.791) 1.306 13.332 ( 2.417 0.000 -4.208) 4.853 13.619 ( 2.428 0.000 -6.807) 7.227 14.329 ( -1.059 0.000 7.165) 7.243 14.739 ( -4.559 0.000 -7.843) 9.072 15.819 ( -1.453 0.000 -0.927) 1.723 16.037 ( 5.628 0.000 -2.503) 6.160 16.107 ( 3.937 0.000 0.985) 4.058 16.489 ( -4.812 0.000 -13.076) 13.933 ======================= Grid point 92 (45/96) ======================= q-point: ( 0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 10.753 0.000 10.484) 15.018 1.410 ( 8.551 0.000 15.150) 17.397 1.550 ( 3.417 0.000 2.233) 4.082 1.588 ( 1.063 0.000 13.223) 13.266 1.710 ( 8.245 0.000 6.615) 10.570 1.790 ( 2.456 0.000 1.412) 2.833 1.804 ( 2.063 0.000 1.903) 2.807 1.935 ( 4.275 0.000 -0.052) 4.276 2.011 ( -6.117 0.000 7.440) 9.632 2.076 ( -3.336 0.000 2.627) 4.247 2.115 ( 4.540 0.000 5.127) 6.848 2.197 ( -0.050 0.000 1.341) 1.342 2.203 ( -1.881 0.000 0.946) 2.105 2.244 ( -3.462 0.000 1.985) 3.991 2.392 ( -2.478 0.000 1.757) 3.038 2.431 ( -2.155 0.000 -4.020) 4.561 2.442 ( -7.970 0.000 0.246) 7.973 2.449 ( -5.856 0.000 -1.196) 5.977 2.499 ( -5.575 0.000 -0.789) 5.631 2.521 ( -0.399 0.000 -7.791) 7.801 2.766 ( -3.357 0.000 -0.023) 3.357 2.852 ( -0.392 0.000 10.383) 10.391 2.918 ( -1.408 0.000 6.745) 6.890 2.925 ( -8.847 0.000 -3.731) 9.602 3.078 ( -2.525 0.000 -1.826) 3.116 3.133 ( -4.727 0.000 12.107) 12.997 3.179 ( -3.589 0.000 19.084) 19.419 3.398 ( -8.186 0.000 -3.804) 9.026 3.449 ( 3.777 0.000 -0.575) 3.821 3.501 ( 3.057 0.000 8.030) 8.592 3.641 ( -4.281 0.000 11.121) 11.916 3.666 ( 1.214 0.000 8.223) 8.312 3.690 ( -1.938 0.000 3.150) 3.699 3.896 ( -0.944 0.000 -7.783) 7.840 3.979 ( 5.136 0.000 -0.277) 5.143 4.086 ( 7.264 0.000 -3.627) 8.119 4.114 ( -5.039 0.000 3.291) 6.018 4.400 ( -3.349 0.000 -1.236) 3.570 4.403 ( 10.429 0.000 -2.073) 10.633 4.516 ( -1.600 0.000 6.922) 7.104 4.545 ( -3.960 0.000 -4.533) 6.019 4.673 ( 3.231 0.000 -2.438) 4.048 4.702 ( -0.908 0.000 -7.782) 7.835 4.834 ( 5.235 0.000 -4.746) 7.066 5.249 ( -1.246 0.000 -5.730) 5.864 5.286 ( -6.469 0.000 -6.825) 9.404 5.455 ( 2.129 0.000 -11.311) 11.509 5.536 ( 7.560 0.000 -1.646) 7.737 5.774 ( 0.876 0.000 -1.013) 1.339 5.862 ( -2.654 0.000 -6.485) 7.007 6.306 ( -1.464 0.000 -3.466) 3.763 6.388 ( -1.281 0.000 2.137) 2.491 6.501 ( -3.785 0.000 8.986) 9.751 6.548 ( -7.474 0.000 -11.030) 13.324 6.698 ( 2.986 0.000 2.902) 4.164 6.740 ( 4.050 0.000 0.740) 4.117 6.805 ( 3.846 0.000 -7.154) 8.123 7.008 ( 3.988 0.000 4.810) 6.248 7.268 ( 16.345 0.000 6.260) 17.503 7.278 ( 0.435 0.000 5.103) 5.121 7.433 ( 0.971 0.000 5.018) 5.111 7.599 ( 2.534 0.000 2.590) 3.624 7.721 ( 2.485 0.000 2.739) 3.698 7.782 ( 1.422 0.000 -1.509) 2.073 8.111 ( 3.092 0.000 2.164) 3.774 8.187 ( -0.881 0.000 2.187) 2.357 8.203 ( 7.208 0.000 -3.097) 7.845 8.412 ( -5.613 0.000 0.532) 5.639 8.508 ( 6.349 0.000 3.205) 7.112 8.727 ( -11.231 0.000 5.614) 12.556 8.867 ( -0.031 0.000 -6.304) 6.304 8.968 ( -2.996 0.000 -4.373) 5.301 8.988 ( -2.278 0.000 -0.027) 2.278 9.193 ( 6.142 0.000 -0.365) 6.153 9.263 ( -8.309 0.000 -3.053) 8.852 9.407 ( 3.718 0.000 4.353) 5.724 9.521 ( 2.436 0.000 -1.307) 2.764 9.617 ( -1.356 0.000 -3.660) 3.903 9.921 ( -4.373 0.000 -0.931) 4.471 9.986 ( -6.565 0.000 1.080) 6.653 10.030 ( -5.917 0.000 -1.220) 6.041 10.146 ( 2.047 0.000 -4.749) 5.171 10.483 ( 2.692 0.000 -0.661) 2.772 10.625 ( -9.002 0.000 -1.690) 9.159 10.806 ( -0.843 0.000 12.707) 12.735 10.980 ( -9.301 0.000 19.623) 21.716 11.063 ( 8.779 0.000 18.806) 20.754 11.656 ( 3.826 0.000 -6.338) 7.403 11.730 ( 0.713 0.000 -5.277) 5.325 11.861 ( -1.585 0.000 -4.450) 4.724 12.101 ( 0.147 0.000 -0.815) 0.829 12.143 ( 1.301 0.000 -2.723) 3.018 12.372 ( -2.773 0.000 6.997) 7.526 12.499 ( -0.542 0.000 -4.127) 4.163 12.617 ( -2.343 0.000 2.593) 3.494 12.658 ( -0.863 0.000 -8.290) 8.334 12.958 ( 0.432 0.000 1.657) 1.713 13.126 ( -0.256 0.000 2.408) 2.422 13.176 ( 0.197 0.000 0.198) 0.279 13.200 ( 1.269 0.000 2.013) 2.379 13.338 ( 1.390 0.000 -5.801) 5.966 13.638 ( 3.542 0.000 -6.496) 7.399 14.340 ( -2.108 0.000 7.541) 7.830 14.623 ( -3.605 0.000 -5.938) 6.947 15.792 ( -0.734 0.000 -0.999) 1.240 16.101 ( 3.385 0.000 -5.545) 6.496 16.169 ( 2.030 0.000 2.205) 2.997 16.332 ( -4.671 0.000 -9.909) 10.955 ======================= Grid point 93 (46/96) ======================= q-point: ( 0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 11.292 0.000 6.651) 13.105 1.617 ( 5.281 0.000 12.055) 13.161 1.669 ( 7.394 0.000 2.055) 7.674 1.674 ( -0.059 0.000 13.118) 13.118 1.797 ( 2.585 0.000 -1.389) 2.934 1.854 ( 3.448 0.000 1.379) 3.714 1.917 ( -1.697 0.000 7.059) 7.260 1.960 ( 1.235 0.000 3.504) 3.715 1.981 ( -5.164 0.000 6.048) 7.953 2.072 ( 6.067 0.000 -3.598) 7.054 2.144 ( -7.832 0.000 0.915) 7.886 2.158 ( -2.229 0.000 2.067) 3.039 2.193 ( 3.290 0.000 3.638) 4.905 2.214 ( -3.865 0.000 0.904) 3.969 2.232 ( -3.798 0.000 0.096) 3.799 2.300 ( -8.040 0.000 4.684) 9.305 2.369 ( -2.077 0.000 -0.714) 2.196 2.426 ( 1.244 0.000 -0.595) 1.379 2.461 ( 0.231 0.000 -10.283) 10.286 2.468 ( -2.459 0.000 -1.195) 2.734 2.660 ( -13.066 0.000 -2.196) 13.249 2.712 ( -1.906 0.000 -1.676) 2.538 2.871 ( -4.498 0.000 4.456) 6.332 3.012 ( 5.194 0.000 10.067) 11.328 3.016 ( -4.568 0.000 2.802) 5.359 3.101 ( -6.678 0.000 18.231) 19.416 3.216 ( -8.474 0.000 -4.217) 9.465 3.220 ( -1.826 0.000 13.564) 13.686 3.426 ( -5.045 0.000 -2.444) 5.606 3.560 ( -0.925 0.000 8.925) 8.973 3.666 ( -0.410 0.000 -1.620) 1.671 3.715 ( 3.088 0.000 8.978) 9.494 3.754 ( 2.159 0.000 9.115) 9.368 3.905 ( 5.661 0.000 -5.352) 7.790 4.024 ( -6.181 0.000 2.057) 6.514 4.063 ( 4.859 0.000 -7.468) 8.910 4.186 ( 4.620 0.000 -5.100) 6.881 4.224 ( -10.108 0.000 -2.203) 10.345 4.493 ( -0.771 0.000 1.148) 1.383 4.530 ( 1.117 0.000 4.878) 5.004 4.571 ( 3.517 0.000 -6.498) 7.389 4.616 ( 0.834 0.000 -3.059) 3.171 4.700 ( -0.267 0.000 -4.857) 4.864 4.893 ( 3.631 0.000 -4.312) 5.637 5.160 ( -4.006 0.000 0.899) 4.105 5.220 ( 1.120 0.000 -4.837) 4.965 5.444 ( 1.824 0.000 -7.951) 8.158 5.644 ( 4.225 0.000 -3.097) 5.238 5.758 ( -3.096 0.000 -11.653) 12.057 5.797 ( 1.605 0.000 -0.459) 1.670 6.219 ( -3.144 0.000 -16.111) 16.415 6.315 ( -5.961 0.000 3.225) 6.777 6.433 ( 0.409 0.000 -1.471) 1.527 6.520 ( 2.065 0.000 3.711) 4.247 6.740 ( 0.392 0.000 3.776) 3.796 6.818 ( 3.159 0.000 3.540) 4.745 6.894 ( 6.181 0.000 -1.482) 6.357 7.032 ( -1.605 0.000 2.669) 3.114 7.288 ( -2.184 0.000 6.222) 6.594 7.490 ( 1.749 0.000 3.057) 3.522 7.495 ( 6.146 0.000 -1.454) 6.316 7.683 ( 2.270 0.000 2.577) 3.434 7.782 ( 2.488 0.000 1.422) 2.865 7.872 ( 9.215 0.000 1.701) 9.370 8.132 ( -3.679 0.000 5.801) 6.869 8.197 ( 2.149 0.000 0.066) 2.150 8.225 ( -4.357 0.000 -8.572) 9.616 8.345 ( 1.543 0.000 -0.084) 1.545 8.527 ( -10.913 0.000 3.448) 11.444 8.688 ( 8.888 0.000 -0.465) 8.901 8.825 ( -3.827 0.000 -4.370) 5.809 8.860 ( -2.527 0.000 -4.026) 4.753 8.952 ( -1.686 0.000 1.910) 2.547 9.077 ( -7.500 0.000 -3.282) 8.187 9.310 ( 5.586 0.000 -1.277) 5.730 9.477 ( 3.273 0.000 -2.468) 4.099 9.560 ( 1.732 0.000 -0.332) 1.764 9.597 ( 1.704 0.000 -2.386) 2.932 9.846 ( -3.802 0.000 -1.264) 4.007 9.897 ( -3.175 0.000 1.155) 3.378 9.929 ( -4.561 0.000 -0.381) 4.577 10.167 ( 3.064 0.000 -6.409) 7.104 10.430 ( -10.700 0.000 1.580) 10.817 10.433 ( -5.637 0.000 -3.371) 6.568 10.902 ( -2.312 0.000 11.325) 11.559 10.933 ( -3.223 0.000 20.494) 20.746 11.345 ( 10.558 0.000 14.601) 18.018 11.586 ( -9.194 0.000 -7.385) 11.792 11.719 ( 5.925 0.000 -2.418) 6.400 11.922 ( 6.703 0.000 -0.515) 6.722 12.091 ( -0.784 0.000 -0.864) 1.167 12.148 ( 0.126 0.000 -0.923) 0.932 12.347 ( -3.711 0.000 4.889) 6.138 12.450 ( -1.523 0.000 -9.090) 9.217 12.554 ( -4.904 0.000 1.462) 5.117 12.617 ( 2.078 0.000 -8.225) 8.484 12.962 ( -0.903 0.000 1.755) 1.974 13.142 ( 0.245 0.000 3.671) 3.679 13.184 ( 0.483 0.000 -0.246) 0.542 13.226 ( 0.070 0.000 0.808) 0.811 13.332 ( 1.773 0.000 -5.475) 5.755 13.674 ( 3.959 0.000 -6.337) 7.472 14.332 ( -3.180 0.000 7.355) 8.013 14.549 ( -1.211 0.000 -3.956) 4.137 15.784 ( 0.344 0.000 -0.603) 0.694 16.104 ( 0.561 0.000 -5.849) 5.876 16.206 ( 0.957 0.000 0.610) 1.135 16.227 ( -1.578 0.000 -6.429) 6.620 ======================= Grid point 94 (47/96) ======================= q-point: (-0.56 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 5.185 0.000 4.504) 6.868 1.687 ( -4.027 0.000 3.020) 5.034 1.746 ( 2.631 0.000 6.019) 6.569 1.765 ( -0.519 0.000 2.974) 3.019 1.801 ( -2.003 0.000 9.661) 9.866 1.851 ( -6.549 0.000 7.310) 9.815 1.908 ( -4.243 0.000 8.342) 9.359 1.987 ( 3.859 0.000 -0.618) 3.908 1.990 ( 0.773 0.000 1.244) 1.464 2.022 ( -4.543 0.000 -2.827) 5.351 2.027 ( -0.976 0.000 -0.600) 1.145 2.182 ( 4.357 0.000 4.183) 6.040 2.202 ( -4.513 0.000 3.559) 5.748 2.208 ( 0.061 0.000 0.541) 0.545 2.240 ( -0.243 0.000 3.232) 3.241 2.268 ( -3.075 0.000 -2.254) 3.813 2.329 ( -5.626 0.000 2.692) 6.236 2.350 ( -2.985 0.000 -5.566) 6.316 2.415 ( -0.467 0.000 -4.933) 4.955 2.511 ( 9.419 0.000 4.792) 10.568 2.524 ( 2.342 0.000 -0.885) 2.503 2.698 ( 1.149 0.000 -1.476) 1.870 2.773 ( -6.446 0.000 1.081) 6.536 2.941 ( -4.738 0.000 -3.335) 5.794 3.052 ( -6.255 0.000 -0.042) 6.255 3.086 ( -6.696 0.000 19.411) 20.533 3.164 ( -0.851 0.000 20.554) 20.571 3.256 ( 0.530 0.000 1.460) 1.553 3.326 ( -2.500 0.000 -0.862) 2.644 3.574 ( -2.372 0.000 10.410) 10.677 3.637 ( -15.414 0.000 -0.789) 15.435 3.652 ( 1.019 0.000 -5.595) 5.687 3.848 ( 7.171 0.000 3.043) 7.790 3.870 ( -10.198 0.000 2.079) 10.408 4.006 ( 5.411 0.000 -6.432) 8.405 4.094 ( 2.371 0.000 1.862) 3.015 4.181 ( 3.635 0.000 -1.881) 4.093 4.235 ( 4.505 0.000 -3.184) 5.517 4.434 ( -6.039 0.000 -7.180) 9.382 4.502 ( -2.975 0.000 2.303) 3.762 4.615 ( -1.030 0.000 -5.077) 5.180 4.617 ( 2.850 0.000 7.234) 7.775 4.704 ( 4.380 0.000 -9.711) 10.653 4.930 ( 3.159 0.000 -2.512) 4.036 5.156 ( 1.085 0.000 3.838) 3.989 5.222 ( 1.206 0.000 -4.292) 4.458 5.422 ( -0.171 0.000 -5.789) 5.792 5.523 ( -8.873 0.000 -12.852) 15.617 5.734 ( 2.319 0.000 -5.845) 6.288 5.814 ( 1.253 0.000 -3.817) 4.017 6.087 ( -1.724 0.000 -10.159) 10.305 6.248 ( -3.683 0.000 5.881) 6.939 6.494 ( 5.171 0.000 -0.001) 5.171 6.595 ( 3.744 0.000 0.350) 3.760 6.761 ( -0.136 0.000 3.685) 3.688 6.861 ( -1.229 0.000 2.413) 2.707 6.972 ( 2.324 0.000 -0.894) 2.490 7.053 ( 3.529 0.000 2.871) 4.549 7.288 ( -1.166 0.000 7.140) 7.235 7.527 ( 1.158 0.000 1.892) 2.219 7.562 ( 2.766 0.000 -0.545) 2.819 7.705 ( 0.703 0.000 -0.912) 1.152 7.814 ( 0.103 0.000 0.992) 0.997 7.994 ( -1.107 0.000 -6.784) 6.873 8.082 ( -3.373 0.000 1.471) 3.680 8.111 ( 0.889 0.000 -1.196) 1.490 8.239 ( 1.194 0.000 3.240) 3.453 8.358 ( -7.743 0.000 1.809) 7.952 8.371 ( 2.110 0.000 -6.384) 6.724 8.662 ( -9.011 0.000 -1.439) 9.125 8.775 ( -0.526 0.000 2.283) 2.343 8.875 ( 3.861 0.000 -2.707) 4.715 8.888 ( -4.511 0.000 -2.504) 5.160 9.102 ( 10.261 0.000 0.670) 10.283 9.343 ( -1.274 0.000 -2.636) 2.928 9.505 ( 2.884 0.000 -8.519) 8.994 9.585 ( 0.895 0.000 1.683) 1.906 9.647 ( 2.890 0.000 -0.059) 2.891 9.785 ( -1.082 0.000 -1.014) 1.482 9.850 ( -4.078 0.000 -0.066) 4.078 9.871 ( -0.268 0.000 0.557) 0.618 10.146 ( -3.037 0.000 -4.013) 5.033 10.286 ( -7.832 0.000 -1.364) 7.950 10.304 ( -2.135 0.000 -0.516) 2.196 10.820 ( -9.381 0.000 12.886) 15.939 11.062 ( 1.868 0.000 16.800) 16.903 11.336 ( -12.002 0.000 -2.176) 12.198 11.624 ( 10.430 0.000 7.219) 12.684 11.848 ( 8.132 0.000 0.187) 8.134 12.053 ( 6.669 0.000 1.065) 6.754 12.063 ( -1.729 0.000 -0.376) 1.769 12.137 ( -0.919 0.000 0.654) 1.128 12.275 ( -5.922 0.000 1.835) 6.200 12.354 ( -1.652 0.000 -13.356) 13.458 12.486 ( -2.611 0.000 0.774) 2.723 12.639 ( 4.269 0.000 -7.078) 8.266 12.950 ( -1.277 0.000 1.844) 2.243 13.171 ( 0.431 0.000 3.858) 3.882 13.186 ( -0.018 0.000 -0.458) 0.458 13.205 ( -1.854 0.000 -0.760) 2.004 13.351 ( 2.738 0.000 -4.213) 5.024 13.708 ( 3.181 0.000 -6.422) 7.167 14.304 ( -3.737 0.000 6.549) 7.541 14.541 ( 2.256 0.000 -2.180) 3.137 15.796 ( 0.931 0.000 0.100) 0.936 16.065 ( -1.273 0.000 -5.692) 5.833 16.209 ( -0.314 0.000 -1.689) 1.718 16.209 ( 2.764 0.000 -3.903) 4.783 ======================= Grid point 95 (48/96) ======================= q-point: (-0.44 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.497 ( -13.285 0.000 2.522) 13.522 1.618 ( -13.344 0.000 6.254) 14.737 1.710 ( -5.724 0.000 8.619) 10.347 1.749 ( -5.796 0.000 0.506) 5.818 1.836 ( -2.063 0.000 9.055) 9.287 1.850 ( -2.331 0.000 8.050) 8.380 1.878 ( 2.033 0.000 2.393) 3.140 1.925 ( 1.336 0.000 -1.184) 1.786 1.991 ( -5.680 0.000 2.837) 6.349 2.054 ( 1.932 0.000 3.180) 3.721 2.068 ( -3.138 0.000 2.052) 3.750 2.128 ( -1.097 0.000 -1.604) 1.944 2.175 ( 0.095 0.000 1.066) 1.070 2.190 ( -2.167 0.000 2.737) 3.491 2.228 ( 3.685 0.000 1.706) 4.061 2.272 ( 1.365 0.000 -1.601) 2.104 2.362 ( 2.238 0.000 -1.003) 2.453 2.401 ( 9.372 0.000 6.347) 11.319 2.404 ( 1.775 0.000 -0.672) 1.898 2.631 ( 2.395 0.000 1.249) 2.701 2.649 ( 0.154 0.000 -1.708) 1.715 2.707 ( -1.442 0.000 0.239) 1.462 2.721 ( 6.536 0.000 -1.611) 6.732 2.817 ( 0.564 0.000 -11.777) 11.791 3.045 ( -18.680 0.000 4.168) 19.139 3.053 ( 5.951 0.000 0.942) 6.025 3.063 ( -6.696 0.000 15.828) 17.186 3.250 ( -6.022 0.000 18.721) 19.666 3.358 ( 3.975 0.000 5.314) 6.637 3.408 ( -7.978 0.000 6.539) 10.315 3.629 ( -2.763 0.000 -4.094) 4.939 3.650 ( 3.163 0.000 9.276) 9.800 3.700 ( -5.122 0.000 -0.845) 5.191 3.990 ( 6.037 0.000 1.737) 6.281 4.008 ( -1.849 0.000 -4.809) 5.153 4.108 ( -0.665 0.000 -2.555) 2.641 4.267 ( 6.625 0.000 -3.633) 7.556 4.314 ( -0.960 0.000 -2.339) 2.529 4.327 ( -12.203 0.000 1.516) 12.297 4.333 ( 5.045 0.000 -4.714) 6.905 4.635 ( -3.905 0.000 -9.798) 10.548 4.695 ( 1.856 0.000 1.245) 2.235 4.713 ( 8.175 0.000 0.254) 8.179 4.990 ( 3.941 0.000 -2.594) 4.719 5.180 ( -2.476 0.000 -0.808) 2.604 5.187 ( -3.232 0.000 -3.965) 5.116 5.315 ( -3.797 0.000 -7.034) 7.994 5.389 ( 0.147 0.000 -3.863) 3.866 5.699 ( -2.495 0.000 -6.550) 7.009 5.810 ( 2.288 0.000 -8.579) 8.879 6.052 ( 0.387 0.000 -0.261) 0.467 6.230 ( -2.478 0.000 5.928) 6.425 6.601 ( 6.234 0.000 -0.654) 6.268 6.622 ( -1.201 0.000 0.134) 1.209 6.790 ( 1.791 0.000 1.420) 2.285 6.830 ( -2.807 0.000 2.945) 4.069 6.969 ( -1.379 0.000 -1.621) 2.128 7.154 ( 4.832 0.000 -0.302) 4.842 7.329 ( 1.165 0.000 6.562) 6.664 7.563 ( 1.103 0.000 2.589) 2.814 7.593 ( 0.310 0.000 -0.026) 0.311 7.723 ( 2.895 0.000 -3.221) 4.331 7.799 ( -1.287 0.000 -1.097) 1.691 7.879 ( -3.834 0.000 -5.863) 7.005 8.026 ( -2.528 0.000 -0.645) 2.609 8.110 ( -2.599 0.000 -3.487) 4.350 8.273 ( 0.632 0.000 2.053) 2.148 8.299 ( -0.562 0.000 6.553) 6.578 8.335 ( -5.118 0.000 -3.289) 6.083 8.536 ( -2.222 0.000 0.867) 2.385 8.737 ( -3.604 0.000 0.888) 3.712 8.827 ( -1.737 0.000 1.605) 2.365 8.965 ( 7.787 0.000 -3.329) 8.469 9.241 ( -6.888 0.000 -4.878) 8.440 9.316 ( 10.347 0.000 0.351) 10.353 9.484 ( -0.228 0.000 -9.434) 9.437 9.628 ( 3.123 0.000 2.589) 4.056 9.674 ( 1.066 0.000 -0.048) 1.067 9.772 ( -4.134 0.000 -0.090) 4.135 9.775 ( -0.633 0.000 -1.809) 1.917 9.903 ( 2.837 0.000 0.269) 2.850 10.070 ( -2.221 0.000 -0.770) 2.351 10.168 ( -3.855 0.000 1.892) 4.294 10.298 ( 1.365 0.000 -3.160) 3.442 10.734 ( -7.651 0.000 15.526) 17.309 11.110 ( -11.420 0.000 0.473) 11.430 11.171 ( 0.215 0.000 16.259) 16.261 11.819 ( 7.205 0.000 2.225) 7.540 11.966 ( 1.444 0.000 -0.511) 1.532 12.049 ( 2.006 0.000 0.759) 2.145 12.107 ( -1.774 0.000 4.478) 4.817 12.178 ( -3.673 0.000 -0.149) 3.676 12.180 ( 3.320 0.000 -1.178) 3.523 12.270 ( 2.439 0.000 -13.164) 13.388 12.455 ( -1.159 0.000 -0.619) 1.314 12.685 ( 4.405 0.000 -6.086) 7.513 12.936 ( -1.428 0.000 1.890) 2.369 13.153 ( -2.154 0.000 -0.980) 2.366 13.182 ( -0.060 0.000 -0.253) 0.260 13.204 ( -0.214 0.000 4.293) 4.298 13.375 ( 2.253 0.000 -4.685) 5.198 13.717 ( 1.704 0.000 -6.567) 6.785 14.271 ( -3.243 0.000 5.445) 6.337 14.610 ( 5.966 0.000 -1.165) 6.078 15.817 ( 1.015 0.000 0.951) 1.391 16.000 ( -2.243 0.000 -5.718) 6.143 16.176 ( -1.622 0.000 -3.493) 3.851 16.282 ( 6.995 0.000 -3.227) 7.704 ======================= Grid point 96 (49/96) ======================= q-point: (-0.33 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.245 ( -15.802 0.000 5.903) 16.869 1.382 ( -15.772 0.000 7.027) 17.267 1.610 ( -7.897 0.000 7.193) 10.682 1.633 ( -6.062 0.000 4.529) 7.567 1.748 ( -11.871 0.000 9.339) 15.104 1.831 ( -3.695 0.000 3.440) 5.048 1.944 ( 2.727 0.000 1.884) 3.314 1.945 ( -2.129 0.000 -0.766) 2.263 1.958 ( 0.113 0.000 9.522) 9.523 2.001 ( -2.936 0.000 4.684) 5.529 2.089 ( -0.131 0.000 1.931) 1.936 2.113 ( 1.446 0.000 -0.005) 1.446 2.196 ( 0.625 0.000 2.154) 2.243 2.218 ( -3.702 0.000 4.677) 5.965 2.296 ( 2.938 0.000 -1.135) 3.149 2.350 ( 5.088 0.000 5.741) 7.671 2.416 ( 3.199 0.000 1.911) 3.726 2.438 ( 1.440 0.000 -2.534) 2.914 2.474 ( 0.556 0.000 -3.916) 3.955 2.625 ( 3.199 0.000 -4.461) 5.489 2.677 ( 2.919 0.000 -2.792) 4.040 2.705 ( -13.786 0.000 2.307) 13.978 2.804 ( 13.070 0.000 8.538) 15.612 2.838 ( 5.948 0.000 -10.617) 12.170 2.874 ( 4.281 0.000 -0.529) 4.314 3.049 ( -3.790 0.000 13.955) 14.460 3.184 ( 4.552 0.000 -0.061) 4.552 3.217 ( -7.772 0.000 20.739) 22.147 3.365 ( -1.608 0.000 8.121) 8.279 3.460 ( -0.371 0.000 4.465) 4.480 3.541 ( -0.212 0.000 3.376) 3.382 3.695 ( 3.276 0.000 -3.331) 4.672 3.730 ( -1.712 0.000 11.071) 11.203 3.930 ( -2.266 0.000 -2.820) 3.618 3.988 ( -8.188 0.000 -3.353) 8.848 4.089 ( 0.669 0.000 3.320) 3.387 4.204 ( -0.565 0.000 1.490) 1.594 4.295 ( 0.973 0.000 -3.307) 3.447 4.374 ( 6.898 0.000 -3.986) 7.967 4.405 ( 2.756 0.000 -3.599) 4.533 4.506 ( -2.163 0.000 -9.036) 9.292 4.712 ( -0.800 0.000 1.767) 1.939 4.826 ( 3.422 0.000 -2.351) 4.152 5.014 ( -0.069 0.000 -5.272) 5.273 5.072 ( -6.682 0.000 0.458) 6.698 5.077 ( -3.885 0.000 1.228) 4.074 5.329 ( 4.738 0.000 -3.090) 5.656 5.389 ( 1.791 0.000 -3.717) 4.126 5.587 ( -4.834 0.000 -6.816) 8.356 5.803 ( 2.213 0.000 -10.256) 10.492 6.079 ( 1.443 0.000 3.422) 3.714 6.191 ( -4.706 0.000 1.990) 5.110 6.577 ( -2.729 0.000 -0.862) 2.862 6.695 ( 2.558 0.000 0.283) 2.574 6.800 ( -0.708 0.000 0.484) 0.858 6.838 ( 2.274 0.000 2.562) 3.426 6.921 ( -2.471 0.000 -2.049) 3.210 7.187 ( -0.181 0.000 -4.000) 4.004 7.388 ( 1.132 0.000 6.085) 6.189 7.567 ( -3.426 0.000 5.729) 6.675 7.584 ( -0.327 0.000 -1.485) 1.521 7.724 ( -1.230 0.000 -7.062) 7.168 7.769 ( -0.044 0.000 -5.548) 5.549 7.835 ( -0.500 0.000 -0.156) 0.523 8.013 ( -6.925 0.000 3.008) 7.550 8.022 ( 2.225 0.000 1.909) 2.932 8.155 ( -9.042 0.000 -0.548) 9.059 8.262 ( -3.569 0.000 4.767) 5.955 8.395 ( 6.484 0.000 2.724) 7.033 8.576 ( 3.635 0.000 2.597) 4.468 8.685 ( -1.502 0.000 0.512) 1.587 8.821 ( -1.470 0.000 5.045) 5.255 9.061 ( -7.387 0.000 -7.566) 10.575 9.124 ( 10.132 0.000 -3.878) 10.849 9.396 ( -3.840 0.000 -6.587) 7.625 9.450 ( 4.112 0.000 0.615) 4.158 9.686 ( 0.813 0.000 -5.286) 5.348 9.699 ( -2.259 0.000 1.161) 2.540 9.750 ( 7.337 0.000 -0.702) 7.370 9.759 ( 0.135 0.000 1.656) 1.662 9.949 ( 3.022 0.000 -0.357) 3.043 10.076 ( 3.023 0.000 0.976) 3.176 10.183 ( 2.268 0.000 5.394) 5.852 10.306 ( 1.046 0.000 -1.972) 2.233 10.717 ( -4.267 0.000 18.070) 18.567 10.924 ( -9.839 0.000 3.395) 10.408 11.246 ( -1.506 0.000 15.295) 15.369 11.900 ( 1.111 0.000 -0.201) 1.129 11.933 ( -2.656 0.000 -0.066) 2.657 12.043 ( -2.778 0.000 -0.943) 2.934 12.099 ( -0.532 0.000 -4.223) 4.256 12.151 ( 0.675 0.000 -7.046) 7.079 12.200 ( 4.076 0.000 -0.912) 4.176 12.345 ( 5.988 0.000 0.594) 6.018 12.432 ( -0.680 0.000 -1.373) 1.532 12.730 ( 3.187 0.000 -4.063) 5.164 12.918 ( -1.544 0.000 1.822) 2.388 13.117 ( -1.106 0.000 -0.515) 1.220 13.189 ( 0.904 0.000 0.334) 0.964 13.214 ( -1.327 0.000 4.620) 4.806 13.378 ( 0.944 0.000 -5.534) 5.614 13.702 ( 0.696 0.000 -6.629) 6.666 14.250 ( -1.914 0.000 4.673) 5.050 14.737 ( 8.121 0.000 -1.727) 8.303 15.842 ( 0.887 0.000 1.453) 1.702 15.924 ( -2.503 0.000 -5.267) 5.831 16.113 ( -2.736 0.000 -4.485) 5.253 16.420 ( 9.756 0.000 -4.793) 10.870 ======================= Grid point 97 (50/96) ======================= q-point: (-0.22 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -15.676 0.000 11.014) 19.158 1.124 ( -16.716 0.000 11.015) 20.019 1.527 ( -4.275 0.000 4.188) 5.985 1.578 ( -3.474 0.000 4.436) 5.634 1.589 ( -11.933 0.000 15.773) 19.779 1.723 ( -11.840 0.000 11.014) 16.171 1.891 ( -0.724 0.000 0.016) 0.724 2.003 ( 1.204 0.000 1.333) 1.797 2.014 ( 0.047 0.000 6.146) 6.146 2.031 ( 1.406 0.000 6.171) 6.329 2.058 ( -2.874 0.000 0.407) 2.903 2.089 ( -4.843 0.000 4.617) 6.691 2.144 ( -1.792 0.000 6.096) 6.354 2.220 ( -1.624 0.000 6.138) 6.349 2.375 ( 5.573 0.000 -4.113) 6.926 2.416 ( 1.721 0.000 3.236) 3.665 2.466 ( 1.654 0.000 -0.381) 1.697 2.476 ( 0.812 0.000 0.194) 0.835 2.517 ( 7.226 0.000 -3.874) 8.199 2.597 ( -0.625 0.000 2.923) 2.989 2.696 ( 7.030 0.000 -9.231) 11.603 2.793 ( 7.266 0.000 3.191) 7.936 2.841 ( -5.519 0.000 0.607) 5.552 2.926 ( 8.166 0.000 -4.437) 9.293 3.020 ( -1.918 0.000 15.801) 15.917 3.139 ( 9.011 0.000 5.860) 10.749 3.191 ( -0.633 0.000 -3.866) 3.917 3.230 ( -3.099 0.000 18.176) 18.439 3.411 ( -4.484 0.000 -0.692) 4.537 3.431 ( 4.795 0.000 6.195) 7.833 3.580 ( 1.026 0.000 1.399) 1.734 3.683 ( -8.560 0.000 9.758) 12.981 3.807 ( 8.472 0.000 4.326) 9.513 3.844 ( -6.381 0.000 4.254) 7.669 3.938 ( 3.536 0.000 -1.727) 3.936 4.109 ( -0.162 0.000 1.700) 1.708 4.216 ( -0.144 0.000 -0.614) 0.631 4.242 ( -4.590 0.000 -6.885) 8.275 4.417 ( 1.446 0.000 -2.659) 3.027 4.474 ( 6.052 0.000 -3.260) 6.874 4.488 ( 3.139 0.000 -5.343) 6.197 4.700 ( -2.399 0.000 4.524) 5.121 4.822 ( -1.544 0.000 -3.482) 3.809 4.928 ( -3.909 0.000 -1.323) 4.127 5.003 ( -2.139 0.000 2.960) 3.652 5.113 ( 5.340 0.000 9.979) 11.318 5.385 ( 0.698 0.000 -4.066) 4.125 5.403 ( 1.758 0.000 -4.383) 4.722 5.496 ( 1.808 0.000 -7.254) 7.476 5.772 ( 1.060 0.000 -12.265) 12.310 6.084 ( -6.142 0.000 -1.224) 6.263 6.135 ( 1.483 0.000 5.586) 5.780 6.524 ( -2.697 0.000 -0.565) 2.755 6.641 ( -7.122 0.000 0.547) 7.143 6.828 ( 2.433 0.000 -3.010) 3.870 6.854 ( -3.533 0.000 -2.573) 4.371 6.900 ( 2.349 0.000 3.578) 4.280 7.136 ( -1.185 0.000 -5.791) 5.911 7.426 ( -0.533 0.000 5.371) 5.397 7.519 ( -13.982 0.000 2.193) 14.153 7.525 ( -3.495 0.000 5.027) 6.123 7.604 ( -3.955 0.000 -6.034) 7.215 7.739 ( -0.713 0.000 -2.819) 2.908 7.768 ( -1.872 0.000 2.846) 3.407 7.931 ( -2.484 0.000 0.005) 2.484 8.081 ( 2.038 0.000 -3.293) 3.872 8.130 ( 3.197 0.000 4.921) 5.868 8.215 ( -4.962 0.000 11.106) 12.164 8.507 ( 5.639 0.000 -5.356) 7.777 8.673 ( 3.907 0.000 6.078) 7.225 8.728 ( 5.550 0.000 1.952) 5.884 8.818 ( -2.206 0.000 7.151) 7.484 8.887 ( -6.134 0.000 -6.544) 8.969 9.266 ( 1.230 0.000 1.076) 1.635 9.321 ( 4.344 0.000 -9.909) 10.819 9.486 ( -0.275 0.000 -1.325) 1.353 9.650 ( 0.201 0.000 -8.202) 8.205 9.688 ( 0.559 0.000 2.758) 2.814 9.808 ( 3.601 0.000 3.185) 4.807 9.877 ( 6.124 0.000 -2.721) 6.702 10.039 ( 6.271 0.000 0.437) 6.286 10.203 ( 9.349 0.000 2.918) 9.794 10.261 ( 1.705 0.000 6.741) 6.953 10.323 ( 1.958 0.000 0.032) 1.958 10.758 ( -2.663 0.000 18.762) 18.950 10.780 ( -8.665 0.000 6.516) 10.842 11.271 ( -4.249 0.000 12.626) 13.322 11.870 ( -3.917 0.000 -2.814) 4.823 11.877 ( -3.014 0.000 -0.322) 3.031 12.021 ( 1.152 0.000 2.510) 2.762 12.035 ( -0.669 0.000 -9.772) 9.795 12.156 ( 2.353 0.000 -7.058) 7.440 12.229 ( -0.266 0.000 -2.106) 2.122 12.429 ( 1.118 0.000 -0.252) 1.146 12.464 ( 5.583 0.000 3.502) 6.591 12.751 ( 0.697 0.000 -1.477) 1.633 12.904 ( -0.992 0.000 1.622) 1.902 13.111 ( 0.678 0.000 -0.587) 0.897 13.212 ( -1.321 0.000 4.611) 4.796 13.215 ( 1.406 0.000 0.574) 1.519 13.348 ( -0.789 0.000 -5.753) 5.807 13.675 ( 0.368 0.000 -6.805) 6.815 14.252 ( -0.679 0.000 4.730) 4.779 14.868 ( 7.009 0.000 -4.259) 8.202 15.861 ( -1.340 0.000 -3.648) 3.886 15.862 ( 0.378 0.000 1.256) 1.311 16.032 ( -3.356 0.000 -3.563) 4.895 16.569 ( 9.504 0.000 -8.312) 12.626 ======================= Grid point 98 (51/96) ======================= q-point: (-0.11 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( -11.166 0.000 16.843) 20.208 0.925 ( -11.689 0.000 18.093) 21.541 1.482 ( -7.325 0.000 15.787) 17.403 1.495 ( -3.846 0.000 5.271) 6.525 1.528 ( -5.659 0.000 10.589) 12.006 1.598 ( -7.618 0.000 14.776) 16.625 1.910 ( -4.507 0.000 -3.648) 5.798 1.928 ( 2.878 0.000 0.713) 2.965 2.025 ( -2.459 0.000 3.965) 4.666 2.077 ( 1.090 0.000 4.270) 4.407 2.104 ( 0.261 0.000 6.790) 6.795 2.122 ( 4.651 0.000 3.699) 5.942 2.156 ( 0.218 0.000 3.897) 3.903 2.224 ( -0.987 0.000 8.828) 8.883 2.411 ( 0.354 0.000 -4.595) 4.609 2.448 ( 0.336 0.000 -0.742) 0.814 2.474 ( 1.650 0.000 -4.880) 5.151 2.526 ( 1.218 0.000 4.095) 4.272 2.602 ( 3.872 0.000 -4.830) 6.190 2.629 ( 1.082 0.000 5.903) 6.001 2.734 ( -0.313 0.000 -4.816) 4.826 2.773 ( -1.104 0.000 5.091) 5.209 2.925 ( 6.263 0.000 1.602) 6.465 3.039 ( -3.974 0.000 14.317) 14.859 3.098 ( 11.619 0.000 -0.590) 11.634 3.135 ( -3.773 0.000 -6.142) 7.209 3.253 ( -1.024 0.000 10.533) 10.583 3.275 ( -1.785 0.000 14.750) 14.858 3.376 ( 4.073 0.000 -1.355) 4.293 3.516 ( -4.184 0.000 -0.504) 4.215 3.621 ( 2.355 0.000 0.883) 2.515 3.660 ( 3.608 0.000 12.315) 12.833 3.750 ( -6.692 0.000 3.104) 7.377 3.949 ( -0.736 0.000 -2.536) 2.641 4.014 ( 7.403 0.000 2.861) 7.937 4.093 ( -2.602 0.000 1.731) 3.125 4.098 ( -4.019 0.000 -5.985) 7.209 4.191 ( -1.212 0.000 -0.862) 1.487 4.401 ( -1.250 0.000 -1.583) 2.017 4.541 ( 4.349 0.000 -5.731) 7.194 4.557 ( 4.858 0.000 -4.223) 6.437 4.635 ( -6.738 0.000 4.351) 8.020 4.760 ( -1.910 0.000 -3.294) 3.808 4.851 ( -3.051 0.000 -5.509) 6.297 5.154 ( 13.203 0.000 17.488) 21.912 5.321 ( -0.330 0.000 -3.929) 3.943 5.400 ( 14.339 0.000 11.978) 18.684 5.403 ( 1.299 0.000 -3.970) 4.177 5.554 ( 6.913 0.000 -7.210) 9.989 5.711 ( 0.296 0.000 -14.250) 14.253 6.006 ( -0.481 0.000 1.793) 1.856 6.158 ( -4.085 0.000 7.064) 8.160 6.455 ( -5.629 0.000 1.755) 5.896 6.520 ( -3.637 0.000 -1.407) 3.900 6.771 ( -2.542 0.000 -5.176) 5.766 6.821 ( -0.899 0.000 -2.535) 2.690 6.951 ( 1.153 0.000 1.912) 2.233 7.090 ( -2.102 0.000 -5.670) 6.047 7.175 ( -18.657 0.000 5.886) 19.564 7.428 ( -1.912 0.000 2.214) 2.926 7.496 ( -2.441 0.000 3.975) 4.665 7.563 ( 0.026 0.000 -3.646) 3.646 7.697 ( -4.171 0.000 2.633) 4.932 7.799 ( 2.523 0.000 -0.980) 2.707 7.904 ( 0.365 0.000 -1.545) 1.588 8.038 ( -1.450 0.000 -8.205) 8.332 8.194 ( -5.043 0.000 10.433) 11.588 8.257 ( 5.446 0.000 10.084) 11.461 8.559 ( 1.684 0.000 -3.861) 4.212 8.750 ( 0.271 0.000 1.468) 1.493 8.810 ( 1.232 0.000 2.184) 2.508 8.831 ( 2.825 0.000 4.655) 5.445 8.867 ( 5.367 0.000 2.488) 5.916 9.229 ( -1.915 0.000 -1.362) 2.350 9.368 ( 1.978 0.000 -6.342) 6.643 9.413 ( -6.826 0.000 -1.262) 6.941 9.630 ( 2.339 0.000 -6.889) 7.276 9.714 ( 0.041 0.000 -0.117) 0.124 9.928 ( 6.977 0.000 4.099) 8.092 9.964 ( 5.127 0.000 0.556) 5.157 10.147 ( 4.396 0.000 -1.374) 4.606 10.303 ( -1.231 0.000 6.474) 6.590 10.304 ( -0.307 0.000 1.643) 1.672 10.491 ( 13.608 0.000 -4.665) 14.385 10.706 ( -2.681 0.000 14.275) 14.524 10.803 ( -3.713 0.000 18.121) 18.498 11.231 ( -6.456 0.000 10.506) 12.331 11.765 ( -4.196 0.000 -5.810) 7.167 11.797 ( -4.378 0.000 -2.347) 4.968 11.990 ( 0.647 0.000 -6.458) 6.491 12.084 ( 1.507 0.000 3.090) 3.438 12.148 ( 1.719 0.000 -8.950) 9.113 12.217 ( 1.521 0.000 1.998) 2.511 12.463 ( 2.068 0.000 1.459) 2.531 12.584 ( 5.324 0.000 2.336) 5.814 12.736 ( -2.166 0.000 -0.564) 2.238 12.892 ( -1.225 0.000 1.821) 2.194 13.120 ( 0.319 0.000 -0.668) 0.741 13.227 ( 0.561 0.000 2.881) 2.935 13.231 ( -0.330 0.000 0.268) 0.425 13.293 ( -1.461 0.000 -4.810) 5.027 13.645 ( 0.564 0.000 -7.064) 7.086 14.273 ( -0.104 0.000 5.491) 5.492 14.922 ( 1.906 0.000 -7.648) 7.882 15.854 ( 2.594 0.000 -1.419) 2.956 15.866 ( -0.493 0.000 0.526) 0.721 15.975 ( -0.990 0.000 0.554) 1.135 16.655 ( 5.304 0.000 -12.250) 13.349 ======================= Grid point 99 (52/96) ======================= q-point: ( 0.00 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -3.788 10.742 15.382) 19.140 1.022 ( 3.097 8.210 16.970) 19.104 1.380 ( -3.517 -8.489 7.364) 11.775 1.411 ( -1.965 -6.567 16.172) 17.565 1.543 ( -1.628 2.635 4.065) 5.111 1.618 ( -2.834 1.132 17.075) 17.346 1.837 ( -1.057 0.986 0.210) 1.461 1.935 ( 1.183 -3.082 0.749) 3.385 2.020 ( -3.986 4.945 -0.160) 6.353 2.100 ( -0.924 -0.095 5.158) 5.241 2.131 ( -1.116 0.147 7.849) 7.930 2.190 ( 1.037 -2.292 1.412) 2.885 2.211 ( -0.120 1.468 1.511) 2.110 2.308 ( 0.112 -0.669 5.162) 5.206 2.350 ( 1.173 0.364 0.813) 1.473 2.393 ( -1.111 -1.911 -0.144) 2.215 2.480 ( 0.460 -0.364 1.591) 1.696 2.573 ( 2.935 -1.290 1.235) 3.435 2.619 ( 0.292 0.934 -3.114) 3.264 2.629 ( -0.603 -0.297 -2.367) 2.461 2.763 ( 0.223 2.333 3.689) 4.371 2.824 ( 3.816 1.750 3.407) 5.407 2.978 ( -6.930 0.811 5.902) 9.139 3.048 ( -1.985 1.420 5.154) 5.703 3.132 ( 2.063 3.038 2.384) 4.378 3.217 ( -0.443 -3.996 14.197) 14.755 3.264 ( 0.329 -6.103 4.657) 7.684 3.324 ( -10.146 -3.870 4.482) 11.748 3.370 ( 3.137 -1.287 2.056) 3.965 3.400 ( 4.481 0.037 3.578) 5.734 3.480 ( -1.014 -5.827 3.236) 6.742 3.615 ( -1.517 -8.573 -4.524) 9.812 3.832 ( -4.951 4.785 3.082) 7.544 3.933 ( -2.152 -0.042 -1.024) 2.384 3.971 ( -1.900 4.164 -0.776) 4.642 4.098 ( 1.650 -2.310 -1.989) 3.466 4.155 ( -0.769 5.747 1.531) 5.997 4.271 ( 2.876 4.287 -2.949) 5.945 4.383 ( 1.945 -1.128 5.814) 6.234 4.496 ( 0.272 -1.103 -3.080) 3.282 4.576 ( -2.435 -0.847 1.505) 2.985 4.639 ( 5.469 1.909 -5.084) 7.707 4.707 ( 0.945 -0.211 -4.549) 4.651 4.795 ( -1.169 -1.761 -3.178) 3.817 5.324 ( 2.462 2.275 -3.240) 4.662 5.371 ( 0.887 3.256 -7.332) 8.071 5.471 ( 1.536 -4.142 -6.738) 8.057 5.552 ( 1.358 -4.238 -12.762) 13.516 5.726 ( 15.445 4.667 8.872) 18.413 5.826 ( 15.814 0.468 3.122) 16.126 6.118 ( -0.014 0.618 7.300) 7.327 6.153 ( 8.311 -0.052 7.596) 11.259 6.348 ( -3.885 1.010 1.305) 4.221 6.453 ( -1.349 -2.524 -0.338) 2.882 6.791 ( -1.930 6.807 -4.351) 8.306 6.865 ( 0.970 4.312 1.042) 4.541 6.932 ( -7.203 0.425 2.735) 7.716 6.975 ( -7.099 5.431 6.494) 11.048 7.012 ( -3.298 -1.112 -11.442) 11.959 7.316 ( -8.458 -3.643 3.166) 9.738 7.486 ( -3.177 0.911 7.580) 8.269 7.521 ( -2.143 -2.594 2.271) 4.059 7.694 ( -0.512 3.781 2.116) 4.363 7.818 ( -0.733 0.152 -1.679) 1.838 7.932 ( 2.277 1.951 -6.959) 7.577 8.054 ( 3.580 4.939 -4.495) 7.578 8.161 ( -2.149 0.009 7.728) 8.021 8.374 ( -2.994 -11.298 0.713) 11.710 8.470 ( 4.212 5.145 8.699) 10.949 8.713 ( 3.666 -6.689 2.598) 8.058 8.846 ( 1.070 -1.471 7.393) 7.614 8.898 ( 2.546 -2.212 5.012) 6.041 9.063 ( 1.933 5.636 0.300) 5.966 9.243 ( 0.159 -1.143 1.681) 2.039 9.288 ( -3.327 7.991 -4.153) 9.601 9.400 ( 0.713 6.676 2.116) 7.039 9.611 ( 2.442 -4.147 -5.871) 7.591 9.707 ( -3.318 4.187 -2.253) 5.797 9.961 ( 5.786 -12.567 4.383) 14.513 10.083 ( 4.855 -1.837 5.050) 7.242 10.090 ( -2.329 -4.644 -1.271) 5.349 10.217 ( -5.243 -5.868 3.989) 8.823 10.336 ( 0.716 5.120 0.316) 5.179 10.576 ( 6.896 -4.180 -1.795) 8.261 10.733 ( -1.346 -1.708 17.048) 17.186 10.945 ( -1.848 3.273 11.554) 12.150 11.103 ( -7.519 -5.620 12.730) 15.817 11.474 ( -2.794 -34.253 14.770) 37.407 11.665 ( -2.447 0.419 -7.053) 7.477 11.796 ( -1.286 -3.447 -0.102) 3.680 12.010 ( 1.553 1.499 -8.658) 8.923 12.123 ( 1.196 -5.843 -5.481) 8.100 12.216 ( 1.018 -5.612 4.025) 6.980 12.288 ( 2.852 -4.977 3.323) 6.629 12.613 ( 1.003 0.260 -0.354) 1.095 12.661 ( -0.250 -0.842 -0.436) 0.981 12.913 ( -0.155 2.086 1.970) 2.873 13.026 ( 0.042 -3.747 2.063) 4.278 13.288 ( 1.643 2.873 -5.423) 6.353 13.458 ( -0.848 3.176 -4.455) 5.536 13.496 ( 0.747 13.276 1.029) 13.337 13.823 ( -0.592 15.683 -4.157) 16.235 14.343 ( -1.401 8.108 -0.215) 8.231 14.796 ( -3.030 -7.332 -9.088) 12.064 15.904 ( 2.735 2.684 -0.310) 3.845 15.995 ( 2.884 -1.579 2.693) 4.250 16.096 ( 2.554 16.718 -8.535) 18.944 16.570 ( -0.711 -6.082 -14.473) 15.715 ======================= Grid point 100 (53/96) ======================= q-point: ( 0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 4.920 6.333 14.767) 16.804 1.220 ( 7.614 5.500 14.908) 17.620 1.389 ( -0.044 -8.762 8.705) 12.351 1.491 ( 0.368 -4.175 17.432) 17.929 1.563 ( 3.310 2.165 1.435) 4.208 1.675 ( 1.426 -3.076 4.602) 5.716 1.855 ( 0.718 5.204 4.549) 6.949 1.961 ( -0.324 3.257 -1.186) 3.482 1.975 ( 1.151 0.660 2.440) 2.777 2.094 ( -2.999 1.233 7.150) 7.851 2.146 ( -3.017 0.662 7.473) 8.086 2.200 ( 1.463 0.829 -3.860) 4.211 2.216 ( 1.087 -1.492 2.646) 3.226 2.314 ( -2.675 3.482 1.388) 4.605 2.372 ( -0.582 -1.692 5.202) 5.501 2.395 ( 0.878 -3.022 -0.471) 3.182 2.486 ( -1.753 -1.444 3.088) 3.833 2.538 ( -2.690 -0.688 -3.904) 4.791 2.607 ( -1.070 1.827 -4.300) 4.793 2.616 ( -3.747 -5.641 -0.722) 6.810 2.789 ( -0.324 2.056 3.895) 4.416 2.823 ( -4.022 1.579 4.840) 6.488 2.892 ( -0.077 2.420 1.997) 3.139 3.051 ( -5.856 -4.861 2.382) 7.975 3.129 ( -5.069 0.174 13.486) 14.408 3.180 ( -1.144 2.468 3.131) 4.148 3.269 ( -8.508 3.723 3.148) 9.806 3.322 ( 1.857 -4.818 8.731) 10.143 3.378 ( 1.824 -1.416 7.873) 8.205 3.447 ( -2.307 -6.636 -0.762) 7.066 3.526 ( -0.385 -4.963 7.186) 8.742 3.601 ( 3.270 -6.237 -1.364) 7.173 3.768 ( -3.658 3.127 3.369) 5.874 3.871 ( -3.188 -3.162 3.491) 5.688 3.972 ( 2.773 3.485 -4.348) 6.224 4.057 ( -0.597 0.675 -5.336) 5.412 4.191 ( -0.287 2.381 3.571) 4.301 4.283 ( 2.639 0.332 -2.575) 3.702 4.484 ( 3.695 5.534 4.760) 8.181 4.488 ( -1.862 4.381 5.132) 7.000 4.571 ( 1.949 -3.037 -1.897) 4.077 4.701 ( 2.982 1.421 -7.469) 8.167 4.720 ( 3.030 1.309 -5.688) 6.576 4.769 ( 1.159 -2.147 -4.842) 5.421 5.318 ( -0.802 1.352 -7.813) 7.970 5.373 ( 3.880 -1.308 -6.660) 7.818 5.428 ( -0.347 -1.032 -6.327) 6.420 5.484 ( 0.506 -2.636 -12.022) 12.318 5.820 ( -2.404 3.653 -0.116) 4.374 5.926 ( -2.263 -0.771 -1.769) 2.974 6.328 ( 4.160 0.152 5.334) 6.766 6.359 ( 0.298 0.994 2.660) 2.855 6.448 ( 9.640 -0.213 2.133) 9.876 6.480 ( 14.869 -2.955 0.647) 15.173 6.724 ( -4.758 4.287 4.193) 7.655 6.766 ( -6.404 2.901 4.049) 8.113 6.841 ( -2.029 0.349 -7.109) 7.402 6.889 ( -2.983 -1.200 -1.652) 3.615 7.068 ( 9.747 6.045 3.648) 12.036 7.256 ( -0.339 -0.296 5.584) 5.602 7.474 ( -1.591 3.342 6.007) 7.056 7.517 ( -0.202 -3.069 3.209) 4.444 7.714 ( 1.271 1.893 1.841) 2.930 7.800 ( -0.187 1.535 -1.286) 2.011 7.951 ( 4.473 -3.384 -7.254) 9.170 8.123 ( 2.125 0.928 1.925) 3.014 8.182 ( 2.356 2.096 4.016) 5.106 8.378 ( 2.600 -5.190 2.722) 6.411 8.540 ( -0.164 6.972 2.792) 7.512 8.785 ( -1.289 -3.965 6.682) 7.876 8.908 ( 3.016 -1.765 1.758) 3.912 8.966 ( 1.393 -4.248 1.097) 4.603 9.030 ( -3.226 4.821 -1.001) 5.886 9.217 ( 0.444 -1.500 1.767) 2.360 9.258 ( -0.625 7.185 -5.640) 9.156 9.461 ( 1.822 10.642 4.643) 11.753 9.594 ( -3.041 -2.781 -2.990) 5.091 9.623 ( -1.726 3.436 -3.786) 5.397 9.987 ( -4.631 -5.449 -1.192) 7.250 10.049 ( 0.078 -7.884 -0.429) 7.896 10.079 ( -6.470 -1.948 3.360) 7.547 10.160 ( -2.511 -4.025 -0.671) 4.791 10.387 ( 4.236 4.872 3.498) 7.343 10.662 ( 1.530 -4.793 -1.130) 5.157 10.796 ( -0.176 2.315 13.041) 13.246 10.961 ( -2.639 5.088 14.675) 15.755 11.022 ( -9.614 -3.749 16.605) 19.550 11.556 ( 2.150 -19.207 5.274) 20.034 11.634 ( 4.076 -6.566 -4.939) 9.172 11.812 ( 2.928 -12.556 2.214) 13.082 11.981 ( 0.114 3.087 -9.327) 9.826 12.117 ( 1.549 -3.926 -5.834) 7.200 12.250 ( -0.439 -6.339 3.540) 7.274 12.344 ( 1.697 -7.717 1.932) 8.134 12.621 ( -0.048 0.761 -0.259) 0.805 12.651 ( -0.073 -1.282 -1.615) 2.063 12.920 ( -0.375 1.223 1.354) 1.862 13.038 ( -0.342 -3.869 2.708) 4.735 13.297 ( 2.392 3.225 -5.327) 6.670 13.417 ( -0.818 4.977 -4.654) 6.863 13.512 ( 0.044 16.008 1.888) 16.119 13.773 ( -1.588 16.136 -4.113) 16.728 14.318 ( -2.019 1.291 3.828) 4.516 14.670 ( -4.858 -7.675 -7.767) 11.952 15.914 ( -0.993 7.641 -2.117) 7.991 16.069 ( 3.462 -0.002 2.443) 4.237 16.115 ( 3.408 5.160 -6.250) 8.792 16.439 ( -4.535 -5.645 -12.822) 14.726 ======================= Grid point 101 (54/96) ======================= q-point: ( 0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 10.331 4.155 10.772) 15.493 1.441 ( 8.183 -0.215 10.956) 13.676 1.477 ( 3.701 -2.848 11.085) 12.029 1.590 ( 1.622 -1.400 11.859) 12.051 1.697 ( 7.466 -0.846 1.893) 7.749 1.738 ( 5.683 -2.228 3.972) 7.283 1.881 ( 0.384 4.492 2.247) 5.037 1.955 ( 0.295 1.496 1.092) 1.876 2.012 ( -2.710 0.642 5.753) 6.392 2.084 ( -1.532 1.402 1.616) 2.631 2.092 ( -2.473 -2.118 2.456) 4.078 2.216 ( -0.484 1.522 0.657) 1.727 2.245 ( -1.692 0.206 3.083) 3.523 2.281 ( -0.917 6.329 0.628) 6.426 2.341 ( -6.221 -4.452 0.224) 7.653 2.386 ( -1.111 -0.322 2.242) 2.523 2.434 ( -1.885 0.053 -2.212) 2.907 2.476 ( -5.552 -1.351 1.548) 5.920 2.491 ( -1.721 -2.505 -6.506) 7.181 2.544 ( -5.219 2.088 -1.367) 5.785 2.772 ( -3.760 0.395 0.670) 3.839 2.822 ( -0.218 -2.718 5.825) 6.432 2.925 ( -5.158 1.511 1.010) 5.469 2.940 ( -1.161 2.392 0.367) 2.685 3.063 ( -4.092 -0.382 4.588) 6.160 3.108 ( -7.528 -1.685 9.708) 12.400 3.225 ( -4.499 2.513 13.878) 14.804 3.318 ( -5.549 -7.526 -3.643) 10.035 3.418 ( 2.654 -4.370 4.136) 6.576 3.462 ( 0.617 -4.115 6.555) 7.764 3.579 ( 1.421 -1.989 11.591) 11.846 3.639 ( 0.661 -2.174 4.626) 5.154 3.736 ( -4.059 2.551 5.180) 7.058 3.847 ( -1.138 -4.378 0.814) 4.596 4.010 ( 6.357 3.976 -6.058) 9.639 4.097 ( 6.296 -0.028 -4.841) 7.942 4.166 ( -2.936 4.955 2.963) 6.477 4.376 ( 4.940 -3.327 1.204) 6.076 4.468 ( -1.237 4.240 -1.399) 4.633 4.505 ( -2.185 0.898 2.739) 3.617 4.568 ( -3.879 1.885 -5.109) 6.686 4.667 ( -1.910 -1.240 -6.451) 6.841 4.722 ( 3.542 2.663 -3.460) 5.622 4.827 ( 5.092 -1.095 -4.239) 6.715 5.256 ( -0.872 1.253 -6.307) 6.489 5.313 ( -3.043 1.781 -7.045) 7.878 5.433 ( 2.402 -1.499 -9.224) 9.649 5.512 ( 6.178 -2.571 -2.092) 7.011 5.792 ( 0.185 1.819 -1.359) 2.278 5.854 ( -2.234 -0.922 -5.655) 6.150 6.293 ( -3.498 -0.661 -1.349) 3.806 6.358 ( -4.157 -2.974 0.032) 5.112 6.519 ( -2.122 2.116 5.366) 6.146 6.589 ( -3.533 2.230 -2.139) 4.694 6.662 ( 2.303 -0.549 -2.781) 3.652 6.779 ( -0.149 -0.315 -3.836) 3.852 6.801 ( 6.235 2.663 -1.295) 6.903 6.970 ( 4.550 -3.941 4.340) 7.421 7.284 ( 3.295 2.224 4.361) 5.901 7.337 ( 9.313 3.170 4.301) 10.737 7.511 ( 2.799 6.574 3.757) 8.073 7.567 ( 4.324 -0.245 6.000) 7.399 7.760 ( 2.879 -0.503 0.313) 2.939 7.801 ( 0.742 3.966 0.648) 4.087 8.010 ( 4.966 -7.339 -4.492) 9.935 8.130 ( -2.259 -3.862 4.720) 6.504 8.286 ( 5.974 5.216 -0.230) 7.934 8.482 ( 4.870 -1.598 2.971) 5.925 8.507 ( -2.557 7.949 -0.407) 8.360 8.715 ( -9.638 0.004 7.300) 12.090 8.889 ( -2.220 -1.021 -4.902) 5.477 8.934 ( -4.039 -3.706 -2.067) 5.858 9.039 ( 2.531 6.119 -1.651) 6.824 9.202 ( -2.392 2.465 -3.755) 5.088 9.293 ( 5.394 -0.256 -0.746) 5.451 9.429 ( -4.284 5.022 2.355) 7.008 9.535 ( -1.203 -1.689 -2.052) 2.917 9.616 ( 1.962 3.980 -2.997) 5.354 9.895 ( -4.247 -3.955 -1.372) 5.963 9.952 ( -5.702 -3.563 0.690) 6.759 10.037 ( -4.154 -1.805 0.540) 4.561 10.107 ( 0.310 -2.118 -3.646) 4.228 10.468 ( 1.273 -0.345 -0.131) 1.325 10.596 ( -7.105 -3.185 -1.188) 7.877 10.817 ( -2.709 1.219 13.157) 13.488 10.936 ( -9.020 -4.298 18.231) 20.790 11.134 ( 8.780 7.927 17.766) 21.344 11.587 ( 1.636 -5.895 -1.409) 6.278 11.716 ( 5.450 -6.731 -2.804) 9.103 11.899 ( -2.100 3.533 -6.609) 7.783 11.927 ( 5.222 -14.887 1.023) 15.810 12.117 ( 1.365 -3.737 -4.400) 5.932 12.240 ( -1.796 -5.539 2.359) 6.283 12.361 ( -0.445 -8.706 -1.209) 8.801 12.609 ( -0.355 0.772 -1.811) 2.001 12.641 ( 0.321 -1.780 -3.290) 3.755 12.910 ( -1.656 0.267 1.825) 2.479 13.034 ( -1.907 -4.443 3.215) 5.806 13.318 ( 2.834 3.765 -4.933) 6.822 13.382 ( -0.176 6.423 -4.554) 7.876 13.517 ( -0.740 17.501 2.202) 17.654 13.739 ( 0.332 11.647 -3.742) 12.238 14.307 ( -2.253 -2.179 5.720) 6.523 14.551 ( -3.689 -7.742 -5.450) 10.162 15.873 ( -1.515 7.881 -2.350) 8.363 16.130 ( 0.658 -0.860 -3.756) 3.909 16.137 ( 2.989 0.266 -0.719) 3.086 16.298 ( -3.376 -3.584 -8.530) 9.849 ======================= Grid point 102 (55/96) ======================= q-point: ( 0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( 11.192 3.423 6.708) 13.490 1.618 ( 6.567 -2.517 6.192) 9.370 1.642 ( 5.377 0.296 11.856) 13.022 1.676 ( 1.280 -0.420 9.380) 9.477 1.814 ( 5.652 2.183 0.548) 6.084 1.877 ( 1.363 1.760 0.612) 2.309 1.925 ( -0.442 0.559 7.103) 7.139 1.957 ( 0.137 -0.312 4.374) 4.387 1.982 ( -3.845 0.277 5.278) 6.536 2.056 ( 3.999 -2.478 -0.425) 4.723 2.108 ( -0.859 -1.486 -0.715) 1.860 2.157 ( -2.520 0.381 2.712) 3.722 2.183 ( -5.351 -0.404 0.925) 5.446 2.237 ( -3.612 -1.554 1.925) 4.378 2.254 ( -2.967 4.065 0.760) 5.090 2.323 ( -7.487 2.254 2.103) 8.097 2.386 ( 0.156 0.028 -5.080) 5.083 2.419 ( -1.376 -0.658 -0.578) 1.631 2.432 ( -2.431 -1.250 -5.986) 6.581 2.459 ( -3.652 -1.444 0.547) 3.965 2.638 ( -10.019 -0.583 -2.837) 10.430 2.740 ( -5.668 0.149 -0.734) 5.718 2.880 ( -0.255 1.858 3.116) 3.637 2.957 ( -6.596 -1.975 5.652) 8.908 3.041 ( 4.744 1.997 8.756) 10.157 3.116 ( -1.800 -2.364 10.900) 11.298 3.140 ( -7.964 -1.690 8.072) 11.464 3.268 ( -1.933 -0.302 4.355) 4.774 3.421 ( -3.700 -1.453 -0.599) 4.020 3.528 ( 1.932 -1.191 7.026) 7.383 3.609 ( -4.467 -5.371 2.932) 7.576 3.663 ( 0.787 -4.635 7.298) 8.681 3.755 ( 2.985 2.410 5.910) 7.046 3.881 ( 3.832 -2.499 -2.090) 5.030 4.089 ( 2.309 5.182 -7.467) 9.377 4.127 ( -0.745 5.577 3.135) 6.441 4.178 ( 4.298 -0.953 -5.460) 7.013 4.274 ( -10.175 4.632 -3.619) 11.751 4.442 ( -2.665 -5.706 1.507) 6.475 4.521 ( -6.312 -4.969 -7.606) 11.063 4.535 ( 2.036 0.947 3.481) 4.143 4.582 ( 6.934 -1.436 -0.028) 7.081 4.763 ( 1.014 4.773 -4.992) 6.980 4.878 ( 3.076 -1.557 -4.676) 5.809 5.233 ( 0.745 3.341 -2.567) 4.279 5.246 ( -0.694 5.318 -2.905) 6.099 5.428 ( 1.702 -0.778 -7.412) 7.644 5.610 ( 4.993 -4.800 -2.386) 7.325 5.750 ( -4.055 1.478 -8.865) 9.860 5.816 ( 1.816 0.429 -4.177) 4.575 6.189 ( -4.397 -2.167 -11.646) 12.635 6.247 ( -5.460 -5.087 2.344) 7.822 6.505 ( 0.252 5.709 -0.692) 5.756 6.566 ( 2.024 4.049 1.162) 4.674 6.714 ( 2.189 -2.178 2.927) 4.255 6.793 ( 2.196 -3.157 1.139) 4.011 6.911 ( 4.628 2.166 1.588) 5.351 7.015 ( -0.753 -2.038 3.284) 3.938 7.311 ( -1.224 2.576 5.555) 6.244 7.460 ( 2.806 -3.871 1.069) 4.899 7.578 ( 2.187 8.400 1.647) 8.835 7.718 ( 3.771 4.332 2.030) 6.092 7.827 ( 5.462 -0.657 0.840) 5.565 7.853 ( 4.276 1.471 1.396) 4.732 8.068 ( 2.482 -7.694 -2.237) 8.389 8.107 ( -1.611 -3.008 1.229) 3.627 8.361 ( 1.745 6.460 -3.358) 7.486 8.400 ( -5.565 8.871 1.611) 10.595 8.546 ( -8.730 0.208 -0.063) 8.733 8.630 ( 6.006 -3.590 1.634) 7.185 8.811 ( -5.595 -1.595 -0.842) 5.878 8.848 ( -1.839 -2.271 -2.919) 4.130 9.033 ( -1.668 6.725 -3.223) 7.642 9.098 ( -4.561 1.890 -4.457) 6.652 9.378 ( 4.798 6.992 -1.666) 8.642 9.452 ( 3.632 -2.375 0.941) 4.440 9.530 ( 2.377 -1.319 -1.661) 3.186 9.630 ( 1.265 2.564 -3.083) 4.205 9.811 ( -3.778 -3.970 -1.516) 5.686 9.876 ( -3.393 -2.953 0.283) 4.507 9.952 ( -3.970 2.488 0.258) 4.692 10.118 ( 2.359 -4.567 -4.642) 6.926 10.402 ( -6.965 -1.968 -2.233) 7.574 10.431 ( -8.928 -0.908 -0.213) 8.977 10.869 ( -6.446 -3.087 13.363) 15.154 10.891 ( -0.908 -3.527 17.986) 18.351 11.396 ( 8.748 5.411 13.523) 16.990 11.603 ( -0.761 0.195 0.080) 0.790 11.779 ( 2.027 5.461 -5.624) 8.097 11.836 ( 3.289 -5.504 -1.777) 6.653 12.028 ( 3.514 -8.177 -0.042) 8.900 12.117 ( 0.631 -5.182 -2.683) 5.870 12.223 ( -1.495 -6.545 1.200) 6.820 12.316 ( -2.479 -9.074 -2.459) 9.723 12.593 ( -0.327 1.767 -3.048) 3.538 12.627 ( 1.422 -0.030 -6.361) 6.518 12.882 ( -2.543 -1.494 3.149) 4.314 13.008 ( -2.495 -5.482 3.276) 6.856 13.346 ( 2.973 2.614 -5.718) 6.955 13.360 ( 0.474 7.219 -3.567) 8.066 13.509 ( -1.382 18.087 2.412) 18.299 13.740 ( 1.856 7.406 -3.833) 8.543 14.292 ( -2.775 -3.071 5.977) 7.270 14.481 ( -1.248 -7.350 -3.355) 8.176 15.845 ( -0.218 6.217 -1.604) 6.424 16.094 ( -1.380 -3.520 -4.511) 5.886 16.167 ( 1.594 -0.133 -3.095) 3.484 16.237 ( -0.269 -0.578 -3.457) 3.516 ======================= Grid point 103 (56/96) ======================= q-point: (-0.56 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 6.229 3.274 4.317) 8.255 1.704 ( -4.110 1.630 4.927) 6.620 1.742 ( 1.361 -0.387 7.318) 7.454 1.759 ( 0.743 -0.646 2.277) 2.481 1.816 ( -2.664 1.563 7.993) 8.569 1.854 ( -5.719 0.136 7.161) 9.166 1.906 ( -3.836 0.226 7.484) 8.413 1.978 ( -2.990 -1.265 1.131) 3.438 2.000 ( -1.107 0.529 -1.791) 2.171 2.023 ( 4.542 0.460 0.158) 4.568 2.064 ( -3.290 3.890 -0.957) 5.184 2.163 ( -2.274 -1.313 2.208) 3.431 2.195 ( -2.264 -1.071 2.480) 3.524 2.223 ( -0.171 -0.899 2.353) 2.524 2.229 ( 1.756 1.020 0.442) 2.078 2.261 ( 0.832 -0.191 1.237) 1.503 2.319 ( -7.557 -1.938 2.360) 8.150 2.369 ( 0.540 0.914 -4.635) 4.755 2.408 ( 1.642 0.044 -6.359) 6.567 2.433 ( 4.132 -3.013 2.226) 5.577 2.526 ( 3.341 -2.119 1.037) 4.090 2.641 ( -4.021 -4.737 -1.783) 6.464 2.863 ( -3.391 5.750 2.883) 7.272 2.905 ( -3.242 -1.717 5.751) 6.822 2.999 ( -7.032 -1.802 0.762) 7.299 3.138 ( -4.523 1.604 11.483) 12.445 3.177 ( -1.726 1.322 16.016) 16.163 3.267 ( -1.438 -0.466 3.523) 3.834 3.343 ( -0.464 2.199 0.180) 2.255 3.510 ( -4.844 -3.881 8.036) 10.154 3.593 ( -6.042 -2.707 -1.046) 6.703 3.707 ( -3.539 2.792 -2.487) 5.148 3.758 ( 5.191 -6.126 -1.690) 8.206 3.902 ( -1.972 -1.866 0.856) 2.846 4.009 ( -4.362 5.428 -1.871) 7.210 4.165 ( 0.323 1.055 0.750) 1.334 4.182 ( 4.141 1.516 -4.197) 6.087 4.236 ( 4.824 2.110 -1.616) 5.508 4.337 ( -7.016 -6.938 -0.956) 9.913 4.445 ( 0.751 -6.170 1.505) 6.395 4.625 ( 1.759 2.332 0.455) 2.956 4.690 ( 4.204 -1.266 -6.584) 7.913 4.721 ( 1.032 7.081 -3.219) 7.846 4.908 ( 3.177 -2.472 -2.594) 4.789 5.228 ( -0.255 1.229 -4.626) 4.794 5.244 ( 0.098 6.737 1.311) 6.864 5.399 ( -1.169 -0.749 -6.541) 6.687 5.582 ( -6.145 4.317 -12.435) 14.526 5.655 ( 1.176 -5.856 -3.040) 6.702 5.807 ( 0.470 -2.784 -8.988) 9.421 6.082 ( -1.072 0.665 -3.722) 3.930 6.201 ( -1.853 -4.353 4.691) 6.662 6.542 ( 3.713 4.724 -0.477) 6.028 6.631 ( 3.991 2.661 -1.024) 4.905 6.751 ( -0.276 -0.867 3.881) 3.987 6.830 ( -0.749 -3.124 2.590) 4.127 6.981 ( 2.435 1.099 0.776) 2.782 7.042 ( 2.898 -1.253 3.291) 4.561 7.327 ( -0.086 3.827 6.296) 7.368 7.500 ( 0.588 -4.369 3.098) 5.388 7.619 ( 2.734 7.776 -1.478) 8.374 7.733 ( -0.960 2.997 0.388) 3.171 7.872 ( 0.051 3.918 -1.007) 4.046 7.954 ( 1.924 -4.479 -3.246) 5.857 8.061 ( -1.537 -1.374 1.095) 2.335 8.103 ( 2.507 -1.802 -0.690) 3.164 8.305 ( -6.350 0.303 -0.973) 6.431 8.339 ( -0.707 7.328 1.361) 7.486 8.418 ( -2.980 2.554 -8.655) 9.503 8.676 ( -3.512 0.663 2.216) 4.205 8.753 ( 0.977 -2.569 -1.683) 3.223 8.821 ( -1.041 -3.041 2.072) 3.825 8.925 ( -3.609 3.157 -4.656) 6.684 9.104 ( 5.367 -1.879 -3.871) 6.879 9.409 ( -0.990 6.734 -1.413) 6.951 9.513 ( 3.814 1.480 -5.962) 7.231 9.588 ( 2.513 0.371 0.647) 2.621 9.644 ( 1.555 -0.492 -0.471) 1.698 9.750 ( -1.986 -3.252 0.062) 3.811 9.813 ( -3.423 -3.428 -0.379) 4.859 9.915 ( -0.101 3.926 0.136) 3.930 10.116 ( -0.742 -3.826 -3.727) 5.392 10.246 ( -7.623 -2.595 -0.655) 8.079 10.289 ( -5.164 -2.100 -1.181) 5.699 10.799 ( -7.598 -0.426 13.747) 15.713 10.993 ( 0.718 -6.960 16.158) 17.608 11.432 ( -9.735 8.992 1.279) 13.314 11.664 ( 7.840 3.831 5.176) 10.146 11.860 ( 6.736 -2.280 2.273) 7.466 11.916 ( 4.017 -6.203 -1.138) 7.477 12.053 ( 0.415 -4.476 -3.578) 5.746 12.110 ( 0.013 -6.355 -1.104) 6.450 12.165 ( -3.868 -2.668 -0.266) 4.707 12.290 ( 0.286 -7.159 -1.799) 7.387 12.554 ( -0.946 4.520 -5.184) 6.943 12.636 ( 2.968 -0.557 -6.646) 7.300 12.858 ( -2.035 -2.769 3.977) 5.256 12.989 ( -1.361 -7.303 3.158) 8.072 13.339 ( 0.717 6.243 -5.288) 8.213 13.381 ( 2.868 3.736 -4.369) 6.424 13.495 ( -1.542 17.486 2.730) 17.765 13.756 ( 1.873 4.985 -3.974) 6.645 14.270 ( -2.848 -2.411 5.330) 6.506 14.472 ( 1.924 -7.374 -1.819) 7.835 15.847 ( 0.973 5.227 -0.703) 5.363 16.049 ( -0.937 -2.749 -4.471) 5.332 16.177 ( 1.673 -0.553 -3.134) 3.595 16.223 ( 0.419 -0.492 -3.081) 3.148 ======================= Grid point 104 (57/96) ======================= q-point: (-0.44 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -13.533 3.119 2.780) 14.164 1.636 ( -11.802 1.044 5.878) 13.226 1.696 ( -9.878 -1.110 6.906) 12.104 1.745 ( -4.602 -0.256 3.903) 6.040 1.832 ( -2.179 -0.044 7.563) 7.871 1.848 ( -1.497 -0.223 7.817) 7.962 1.898 ( 0.647 1.882 2.772) 3.412 1.941 ( 1.994 1.140 0.878) 2.459 1.989 ( -6.984 -0.307 3.495) 7.815 2.054 ( 2.238 1.402 1.271) 2.931 2.067 ( -1.164 -2.532 2.657) 3.850 2.132 ( -3.639 0.763 -0.821) 3.807 2.152 ( 5.026 -0.618 0.409) 5.081 2.193 ( -3.681 -0.397 2.093) 4.253 2.218 ( 1.500 -0.738 1.352) 2.150 2.268 ( 0.576 -0.823 0.542) 1.142 2.366 ( 5.282 -0.190 0.414) 5.302 2.371 ( 2.198 1.115 -1.652) 2.967 2.491 ( 5.570 5.332 1.388) 7.835 2.568 ( 4.559 -5.111 -2.714) 7.367 2.599 ( 6.335 -3.763 1.149) 7.458 2.664 ( 4.225 -2.938 -2.598) 5.764 2.782 ( -3.692 3.850 0.867) 5.404 2.874 ( -0.555 5.300 -3.467) 6.358 2.966 ( 2.952 -5.224 5.662) 8.250 3.083 ( -10.073 2.142 4.592) 11.276 3.130 ( -7.121 1.582 9.035) 11.612 3.195 ( -5.959 -4.100 9.933) 12.288 3.324 ( -13.855 -1.005 8.077) 16.069 3.410 ( 0.098 2.126 7.178) 7.486 3.562 ( 3.538 -4.400 4.784) 7.400 3.691 ( 0.635 3.693 -0.829) 3.838 3.764 ( -6.835 -11.113 -1.022) 13.087 3.861 ( -0.407 3.400 -0.753) 3.506 3.968 ( 2.467 -0.107 -0.080) 2.470 4.189 ( 0.368 3.033 -0.040) 3.056 4.240 ( -2.704 -4.669 2.762) 6.061 4.254 ( 5.737 -1.494 -5.036) 7.778 4.342 ( 6.548 2.162 -2.704) 7.407 4.453 ( -3.636 4.464 -2.606) 6.320 4.575 ( -0.298 -2.441 -2.018) 3.181 4.652 ( -1.198 -0.283 -10.193) 10.267 4.824 ( 6.051 5.673 0.828) 8.335 4.971 ( 4.176 -2.097 -2.405) 5.255 5.151 ( -5.396 -1.208 -4.234) 6.964 5.206 ( -5.282 -0.426 -3.235) 6.209 5.331 ( -0.482 3.801 -3.581) 5.245 5.467 ( -0.422 6.263 -6.418) 8.977 5.624 ( -2.196 -6.244 -4.038) 7.754 5.763 ( 1.187 -5.407 -9.864) 11.311 6.086 ( 0.761 3.385 1.875) 3.943 6.207 ( -1.170 -2.444 4.859) 5.564 6.618 ( 3.717 2.708 -0.100) 4.600 6.670 ( 0.822 3.220 -0.958) 3.459 6.770 ( 1.104 -2.002 1.536) 2.754 6.803 ( -2.484 -2.453 2.853) 4.509 7.006 ( 0.024 3.545 -0.581) 3.593 7.133 ( 4.179 -2.301 1.158) 4.909 7.378 ( 1.714 4.267 5.129) 6.889 7.518 ( -0.432 -3.205 3.498) 4.764 7.666 ( 1.734 5.466 -1.124) 5.843 7.713 ( 0.452 1.019 -1.419) 1.805 7.827 ( -3.480 2.079 -2.738) 4.892 7.891 ( -2.727 -0.403 -4.480) 5.260 8.051 ( -1.133 2.887 -0.994) 3.257 8.155 ( 0.633 1.290 -3.861) 4.120 8.238 ( -0.448 -2.777 3.662) 4.617 8.319 ( 0.108 -2.796 -0.608) 2.863 8.345 ( -2.094 8.958 0.639) 9.222 8.610 ( -3.909 7.248 -0.230) 8.238 8.735 ( -2.162 -1.683 0.985) 2.912 8.785 ( -3.005 -3.368 0.743) 4.575 8.947 ( 6.989 -1.502 -3.738) 8.067 9.184 ( 3.842 -7.660 -6.219) 10.588 9.349 ( -2.879 5.168 -1.573) 6.121 9.517 ( 0.790 2.463 -7.027) 7.488 9.628 ( 0.889 -0.916 2.077) 2.438 9.640 ( -1.966 -3.105 0.639) 3.730 9.736 ( -0.590 -2.682 0.472) 2.786 9.755 ( -1.865 -1.826 -0.438) 2.647 9.939 ( 1.824 3.540 -0.019) 3.982 10.062 ( -2.367 -1.125 -1.024) 2.814 10.144 ( -2.451 -1.818 1.572) 3.433 10.245 ( 0.556 -5.103 -2.089) 5.542 10.763 ( -4.605 4.414 15.741) 16.984 11.089 ( -0.036 -8.514 16.318) 18.406 11.228 ( -11.596 11.991 0.638) 16.693 11.816 ( 5.510 0.017 2.087) 5.892 11.895 ( -4.958 -17.335 0.866) 18.050 11.977 ( 0.190 -7.415 -3.253) 8.100 12.049 ( 4.603 0.173 0.789) 4.674 12.110 ( -0.233 -0.627 1.830) 1.948 12.154 ( 2.819 0.158 -1.516) 3.205 12.265 ( -1.228 -1.899 -5.241) 5.708 12.522 ( 0.641 4.925 -4.609) 6.776 12.649 ( 1.829 -2.687 -5.499) 6.387 12.856 ( -0.312 -1.841 3.593) 4.049 12.990 ( -0.444 -8.413 3.011) 8.947 13.327 ( 0.969 7.740 -4.691) 9.102 13.407 ( 2.757 3.554 -5.538) 7.134 13.484 ( -1.306 16.099 3.171) 16.460 13.761 ( 1.059 4.323 -3.842) 5.880 14.251 ( -1.788 -0.364 4.230) 4.607 14.534 ( 5.485 -8.166 -1.020) 9.890 15.869 ( 1.597 5.129 -0.046) 5.372 16.001 ( -1.621 -0.374 -4.936) 5.209 16.173 ( -0.670 0.030 -3.476) 3.540 16.254 ( 5.542 -2.914 -3.288) 7.073 ======================= Grid point 105 (58/96) ======================= q-point: (-0.33 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -15.929 3.495 6.445) 17.535 1.423 ( -14.031 2.922 5.979) 15.529 1.534 ( -10.727 -4.375 8.661) 14.465 1.663 ( -8.087 -1.659 9.408) 12.517 1.742 ( -9.119 1.582 4.717) 10.388 1.834 ( -3.452 -0.207 3.600) 4.992 1.932 ( -0.045 -0.390 3.674) 3.695 1.947 ( 0.478 -0.873 8.174) 8.235 1.990 ( -0.082 3.182 1.580) 3.554 2.018 ( -2.296 2.258 1.393) 3.509 2.087 ( 0.788 -0.649 2.016) 2.259 2.120 ( -0.194 -0.357 -0.627) 0.747 2.175 ( 0.378 0.302 4.322) 4.349 2.238 ( 0.052 1.143 2.381) 2.642 2.293 ( 3.744 -0.753 -0.751) 3.892 2.306 ( 4.293 -4.302 6.367) 8.801 2.419 ( 3.174 0.551 0.156) 3.225 2.447 ( 2.198 0.365 -2.816) 3.591 2.506 ( 1.701 3.612 -3.878) 5.566 2.623 ( 1.348 0.088 -4.996) 5.176 2.662 ( 3.015 -1.668 -0.371) 3.465 2.720 ( -1.884 -2.555 -1.525) 3.522 2.776 ( -2.288 2.714 -1.014) 3.692 2.877 ( 6.422 3.511 4.210) 8.444 2.929 ( -0.505 5.672 -0.279) 5.702 3.068 ( -0.591 0.919 9.494) 9.557 3.129 ( 3.369 -7.263 0.037) 8.006 3.189 ( -7.737 -2.270 20.870) 22.373 3.213 ( 2.923 -7.052 5.227) 9.252 3.403 ( -6.049 -6.886 8.021) 12.179 3.625 ( -4.600 -6.431 2.177) 8.201 3.645 ( 1.927 -4.944 4.293) 6.826 3.740 ( 2.509 10.191 5.749) 11.967 3.868 ( 1.793 3.921 -0.820) 4.389 4.018 ( 0.109 -1.444 0.475) 1.524 4.151 ( -2.463 -4.070 -0.226) 4.763 4.238 ( 0.208 6.544 0.492) 6.566 4.334 ( -2.616 4.202 -3.808) 6.245 4.356 ( 5.438 0.106 -5.479) 7.720 4.425 ( 3.320 2.514 -3.687) 5.562 4.506 ( -2.369 -0.675 -7.420) 7.818 4.645 ( 1.284 -5.560 -0.743) 5.754 4.896 ( 1.865 5.219 -2.636) 6.137 5.007 ( 0.925 -0.977 -3.607) 3.850 5.028 ( -5.586 -1.894 0.623) 5.931 5.074 ( -5.622 -1.910 0.269) 5.944 5.350 ( 3.523 2.572 -2.771) 5.167 5.453 ( 1.437 4.803 -4.811) 6.948 5.545 ( -3.214 -2.999 -4.612) 6.371 5.743 ( 1.754 -5.964 -8.930) 10.881 6.110 ( 0.459 2.761 2.627) 3.839 6.183 ( -3.682 -0.876 1.665) 4.135 6.617 ( -2.547 3.522 0.415) 4.367 6.702 ( 0.171 0.139 0.748) 0.780 6.782 ( 1.473 -1.090 0.493) 1.897 6.821 ( 2.382 -1.628 0.310) 2.902 6.983 ( -1.458 5.941 -2.040) 6.449 7.175 ( 0.470 -2.453 -2.063) 3.240 7.418 ( -0.097 2.952 3.217) 4.368 7.522 ( -2.079 -2.996 4.151) 5.525 7.647 ( -1.205 4.834 -0.080) 4.983 7.731 ( 0.410 0.995 -5.168) 5.279 7.742 ( -2.942 0.811 -4.006) 5.036 7.861 ( 1.021 -1.679 1.471) 2.455 8.040 ( 0.648 2.233 0.772) 2.450 8.099 ( -1.562 2.450 -4.423) 5.292 8.166 ( -10.377 7.780 2.198) 13.155 8.330 ( -2.079 4.547 6.001) 7.811 8.426 ( 7.161 3.746 5.092) 9.552 8.558 ( 0.471 0.878 -2.588) 2.773 8.714 ( -0.963 1.811 2.917) 3.566 8.738 ( -2.909 -8.036 2.606) 8.935 9.054 ( 1.398 -2.102 -5.743) 6.273 9.155 ( 3.976 2.475 -5.190) 6.991 9.323 ( -0.986 -4.650 -3.024) 5.634 9.491 ( -0.343 2.480 -1.075) 2.725 9.592 ( -1.365 -9.120 -2.474) 9.548 9.650 ( 0.598 -6.781 -0.512) 6.827 9.726 ( 0.193 0.007 0.083) 0.210 9.763 ( 1.776 -0.693 1.829) 2.642 9.958 ( 0.944 1.647 -0.586) 1.987 10.055 ( 2.133 -1.789 0.979) 2.951 10.175 ( 2.684 -0.335 4.446) 5.204 10.265 ( 1.961 -3.798 -0.265) 4.283 10.799 ( -1.611 8.380 17.097) 19.108 11.018 ( -11.666 9.845 4.224) 15.838 11.176 ( -0.464 -7.162 14.252) 15.957 11.762 ( -8.123 -25.516 -0.535) 26.783 11.880 ( 0.901 -1.582 0.086) 1.823 11.938 ( -1.991 -3.958 -1.969) 4.848 12.118 ( 1.418 -0.722 0.715) 1.744 12.139 ( 1.366 -2.030 -2.343) 3.388 12.190 ( 1.087 0.981 -3.242) 3.558 12.213 ( 0.231 -0.832 -2.890) 3.016 12.523 ( 1.619 4.629 -3.412) 5.975 12.644 ( 0.307 -3.704 -2.730) 4.612 12.882 ( 0.994 -0.415 2.547) 2.765 13.000 ( -0.276 -7.907 2.859) 8.412 13.324 ( 1.348 6.971 -4.586) 8.452 13.424 ( 2.231 6.132 -4.603) 7.986 13.485 ( -0.075 13.232 1.948) 13.375 13.759 ( 1.040 5.705 -3.191) 6.619 14.257 ( 0.376 3.335 3.021) 4.516 14.655 ( 7.970 -8.908 -1.617) 12.062 15.898 ( 1.129 4.381 -0.349) 4.537 15.939 ( -1.796 1.408 -4.569) 5.107 16.134 ( -0.882 3.139 -4.340) 5.429 16.372 ( 8.926 -5.269 -4.578) 11.332 ======================= Grid point 106 (59/96) ======================= q-point: (-0.22 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -14.057 5.461 11.867) 19.190 1.199 ( -14.146 6.193 8.766) 17.757 1.418 ( -6.380 -7.646 8.316) 12.974 1.529 ( -11.639 -5.879 14.502) 19.502 1.655 ( -4.438 4.510 2.942) 6.978 1.737 ( -10.178 0.524 9.250) 13.763 1.911 ( -0.958 2.310 0.305) 2.519 1.987 ( -0.580 -1.263 3.031) 3.335 2.040 ( 1.818 1.732 5.567) 6.107 2.047 ( 2.348 2.155 5.805) 6.622 2.070 ( -2.963 1.116 -0.710) 3.245 2.098 ( -3.494 0.452 5.483) 6.517 2.181 ( -0.458 3.967 6.455) 7.590 2.243 ( -2.155 2.437 5.905) 6.742 2.353 ( 3.267 -2.185 -2.052) 4.434 2.403 ( 3.250 -2.458 2.920) 5.013 2.460 ( 2.279 -0.422 -1.713) 2.882 2.476 ( 0.021 -1.049 -2.404) 2.623 2.525 ( 4.282 2.314 -3.614) 6.063 2.614 ( 0.140 1.751 1.673) 2.426 2.651 ( 2.062 -4.126 -5.164) 6.924 2.765 ( 3.773 -3.460 -0.252) 5.126 2.837 ( -0.695 0.089 3.310) 3.383 2.886 ( 7.843 -2.932 -0.153) 8.374 3.020 ( 1.036 0.677 10.017) 10.093 3.152 ( 1.577 0.693 6.644) 6.864 3.162 ( -0.917 -3.015 10.805) 11.255 3.231 ( 3.701 0.727 -0.605) 3.820 3.283 ( -4.528 -8.438 10.454) 14.177 3.388 ( 6.524 -6.205 3.698) 9.733 3.573 ( -3.715 1.837 3.415) 5.370 3.706 ( 0.620 -5.101 5.324) 7.399 3.837 ( 1.141 7.510 6.096) 9.740 3.902 ( 1.602 1.342 1.044) 2.336 3.952 ( -2.118 6.177 0.279) 6.536 4.138 ( 0.757 -6.078 -3.120) 6.873 4.232 ( -2.860 7.603 -0.554) 8.142 4.257 ( -2.240 2.992 -4.123) 5.565 4.404 ( 2.776 -2.218 -3.996) 5.347 4.460 ( 2.934 0.417 -5.163) 5.953 4.479 ( 2.514 -1.826 -3.255) 4.500 4.645 ( -1.353 -6.527 2.048) 6.973 4.864 ( -3.960 5.040 -2.639) 6.931 4.960 ( -1.456 2.080 4.140) 4.857 4.994 ( -2.025 -0.741 0.265) 2.172 5.064 ( 4.306 -4.227 9.331) 11.112 5.398 ( 1.888 1.409 -4.138) 4.762 5.459 ( 2.728 2.950 -5.654) 6.936 5.487 ( 1.003 1.278 -5.413) 5.651 5.716 ( 0.875 -5.571 -10.656) 12.056 6.097 ( -4.561 1.379 -0.618) 4.805 6.140 ( 0.603 0.074 3.831) 3.879 6.558 ( -4.251 3.177 0.465) 5.327 6.638 ( -6.825 -0.551 1.036) 6.925 6.828 ( 2.567 0.129 -2.494) 3.581 6.869 ( 1.524 -2.073 2.606) 3.662 6.936 ( -1.114 7.376 -4.968) 8.963 7.144 ( -0.771 -1.128 -5.813) 5.972 7.424 ( -1.210 1.190 3.459) 3.853 7.472 ( -4.988 -2.037 2.706) 6.029 7.609 ( -6.122 5.043 0.240) 7.936 7.656 ( -3.131 2.666 -5.367) 6.761 7.717 ( -0.000 1.683 1.820) 2.479 7.893 ( 0.741 -2.333 -0.127) 2.451 7.929 ( -10.664 13.817 4.628) 18.056 8.089 ( 2.071 0.668 -2.421) 3.255 8.105 ( 1.173 -1.324 4.662) 4.987 8.296 ( -4.209 7.705 8.498) 12.219 8.508 ( 1.388 -2.303 -8.732) 9.137 8.639 ( 4.318 -3.880 7.437) 9.435 8.698 ( -0.207 -3.155 1.869) 3.673 8.768 ( 2.311 -0.345 8.326) 8.647 8.960 ( -3.218 4.633 -4.247) 7.061 9.262 ( -3.259 -3.971 -0.185) 5.141 9.299 ( 9.352 0.748 -5.262) 10.757 9.481 ( -1.022 -0.373 -1.456) 1.818 9.576 ( 2.014 -8.068 -5.744) 10.106 9.668 ( 1.568 -9.047 3.152) 9.707 9.752 ( 2.220 -5.066 -1.636) 5.768 9.819 ( 3.085 -0.509 3.633) 4.794 9.996 ( 3.394 -1.148 0.475) 3.615 10.149 ( 6.235 -5.320 3.438) 8.888 10.249 ( 2.099 0.147 4.918) 5.349 10.311 ( 2.618 -1.460 1.324) 3.277 10.840 ( -10.288 7.290 6.759) 14.306 10.874 ( -1.184 10.092 17.083) 19.877 11.214 ( -3.759 -6.054 11.893) 13.864 11.614 ( -8.268 -33.911 4.009) 35.134 11.855 ( -2.700 -0.861 -2.966) 4.102 11.894 ( -2.223 -2.388 0.541) 3.307 12.079 ( -1.062 1.876 -8.567) 8.834 12.157 ( 2.581 -1.338 -4.725) 5.547 12.174 ( -2.017 -4.058 2.022) 4.962 12.220 ( -0.053 -2.777 -0.454) 2.814 12.545 ( 2.258 3.308 -1.505) 4.279 12.644 ( 0.789 -2.840 -0.616) 3.011 12.907 ( 0.067 0.655 2.215) 2.310 13.010 ( -0.295 -6.316 2.472) 6.789 13.317 ( 0.721 4.321 -5.367) 6.928 13.445 ( 1.679 10.317 -0.874) 10.489 13.498 ( 1.107 7.130 -2.023) 7.494 13.777 ( 2.671 9.455 -2.291) 10.089 14.298 ( 2.642 8.655 1.188) 9.127 14.788 ( 7.372 -8.712 -4.180) 12.154 15.872 ( -1.424 1.707 -2.798) 3.574 15.925 ( 0.702 1.755 -1.099) 2.186 16.105 ( 0.710 10.562 -4.867) 11.651 16.512 ( 9.339 -6.379 -8.173) 13.954 ======================= Grid point 107 (60/96) ======================= q-point: (-0.11 0.25 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.916 ( -6.617 10.096 15.051) 19.293 1.013 ( -11.504 8.766 13.834) 20.015 1.385 ( -2.762 -8.539 9.314) 12.935 1.427 ( -7.669 -6.372 13.449) 16.742 1.581 ( -5.587 3.026 5.553) 8.438 1.623 ( -8.195 1.624 17.220) 19.140 1.892 ( -3.289 -0.490 -1.088) 3.499 1.932 ( -1.481 -0.942 -0.697) 1.888 2.064 ( 0.287 1.734 2.719) 3.238 2.082 ( -1.472 3.245 4.850) 6.018 2.101 ( 0.089 -0.329 7.127) 7.135 2.132 ( 2.908 1.070 4.251) 5.260 2.202 ( -0.812 4.009 4.156) 5.831 2.253 ( 0.514 2.621 8.198) 8.622 2.381 ( -0.695 -2.931 -3.299) 4.467 2.423 ( -2.083 -5.855 -1.415) 6.374 2.452 ( 1.655 0.041 -1.913) 2.530 2.503 ( 3.297 -0.806 0.435) 3.422 2.594 ( 4.031 -0.034 -4.143) 5.781 2.636 ( 0.323 -0.940 2.794) 2.966 2.698 ( 5.234 0.169 3.027) 6.049 2.778 ( -1.033 -1.841 -0.519) 2.174 2.926 ( 4.151 1.424 6.187) 7.586 3.053 ( 4.797 -3.360 8.330) 10.183 3.095 ( 1.565 2.279 6.885) 7.419 3.163 ( -0.530 -0.001 1.630) 1.714 3.198 ( -0.958 -0.656 7.598) 7.686 3.264 ( 3.490 -2.859 2.465) 5.141 3.334 ( 1.666 -3.486 6.345) 7.429 3.481 ( -2.028 -4.461 -0.197) 4.905 3.502 ( -4.536 -1.146 2.747) 5.426 3.681 ( -4.695 -8.157 1.683) 9.561 3.839 ( 1.212 8.091 6.210) 10.271 3.942 ( 1.064 3.783 -0.817) 4.014 4.019 ( 0.933 -2.096 4.562) 5.106 4.087 ( -3.572 1.236 -8.056) 8.899 4.167 ( 3.783 3.066 -1.416) 5.071 4.224 ( -2.842 6.169 1.560) 6.969 4.402 ( -2.646 -0.228 -1.651) 3.127 4.473 ( 5.061 -5.766 -8.021) 11.099 4.558 ( 5.549 -0.527 -3.130) 6.393 4.620 ( -2.801 -4.355 3.132) 6.052 4.761 ( -4.722 3.605 -1.782) 6.202 4.874 ( -4.900 -0.098 -3.791) 6.196 5.161 ( 11.976 1.750 16.215) 20.234 5.305 ( 12.146 -4.117 7.626) 14.921 5.387 ( 1.600 4.106 -2.116) 4.889 5.475 ( 3.506 3.941 -3.350) 6.249 5.537 ( 7.373 -1.749 -5.731) 9.501 5.658 ( -0.045 -5.105 -12.478) 13.482 6.049 ( 0.337 4.147 2.177) 4.696 6.163 ( -2.693 -0.243 5.985) 6.568 6.456 ( -6.720 0.297 1.465) 6.885 6.507 ( -5.826 -1.416 -0.730) 6.040 6.832 ( 0.066 3.253 -4.045) 5.191 6.860 ( -1.129 4.750 -2.588) 5.526 6.938 ( 2.438 0.656 -2.361) 3.457 7.098 ( -0.199 -1.200 -8.997) 9.079 7.251 ( -20.358 8.380 8.689) 23.668 7.421 ( -2.345 -0.721 0.324) 2.474 7.502 ( -3.702 1.559 6.651) 7.770 7.586 ( -3.428 -0.499 -2.917) 4.529 7.712 ( -2.213 3.174 2.672) 4.702 7.842 ( -1.646 1.849 0.457) 2.518 7.914 ( 1.937 4.451 -2.043) 5.267 8.071 ( -0.573 2.976 -7.240) 7.849 8.154 ( -1.001 -1.787 8.271) 8.521 8.333 ( 2.682 6.058 11.167) 12.985 8.449 ( -3.004 -11.903 -4.004) 12.913 8.678 ( -0.438 -7.749 1.785) 7.964 8.765 ( 3.323 0.736 5.369) 6.356 8.846 ( 0.030 -0.907 7.216) 7.273 8.971 ( 5.624 7.995 0.211) 9.777 9.226 ( -0.820 -1.155 1.550) 2.100 9.384 ( 1.922 1.336 -2.197) 3.210 9.410 ( -4.408 0.815 -5.210) 6.873 9.591 ( 3.058 -4.277 -6.775) 8.576 9.745 ( 0.750 3.671 0.712) 3.814 9.799 ( 6.055 -18.754 5.554) 20.475 9.938 ( 6.595 -0.366 5.056) 8.318 10.074 ( 3.783 -4.454 0.400) 5.858 10.251 ( -0.610 -6.371 6.100) 8.841 10.315 ( 2.035 0.746 1.897) 2.880 10.405 ( 9.416 -5.598 0.423) 10.962 10.720 ( -7.151 4.289 11.771) 14.425 10.927 ( -3.378 7.996 16.079) 18.272 11.169 ( -6.532 -7.270 9.832) 13.863 11.510 ( -7.565 -34.498 11.317) 37.087 11.766 ( -3.890 0.507 -5.934) 7.114 11.844 ( -3.429 -2.318 0.527) 4.172 12.031 ( 0.843 1.708 -8.210) 8.428 12.138 ( -0.618 -6.809 -2.649) 7.332 12.190 ( 1.366 -1.528 -0.239) 2.064 12.222 ( 1.205 -3.800 2.317) 4.611 12.585 ( 2.315 1.159 -0.588) 2.654 12.659 ( 0.638 -1.973 0.073) 2.075 12.910 ( -0.746 1.929 2.316) 3.105 13.017 ( -0.228 -4.698 2.036) 5.125 13.298 ( 0.650 3.182 -5.578) 6.455 13.472 ( 0.791 14.641 2.025) 14.802 13.492 ( 0.482 0.040 -5.562) 5.583 13.821 ( 2.760 12.340 -2.798) 12.951 14.347 ( 1.977 12.096 -1.621) 12.363 14.852 ( 2.452 -7.795 -7.711) 11.235 15.859 ( 1.398 1.711 -0.677) 2.311 15.940 ( 1.719 -1.152 0.383) 2.105 16.101 ( 1.830 18.138 -6.692) 19.419 16.600 ( 5.560 -6.341 -12.474) 15.057 ======================= Grid point 108 (61/96) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -2.431 -7.659 10.507) 13.228 1.104 ( -2.431 7.659 10.507) 13.228 1.273 ( -1.291 -5.024 15.187) 16.049 1.273 ( -1.291 5.024 15.187) 16.049 1.601 ( -2.404 -2.946 7.645) 8.538 1.601 ( -2.404 2.946 7.645) 8.538 1.875 ( 0.969 -3.100 2.395) 4.036 1.875 ( 0.969 3.100 2.395) 4.036 2.101 ( -0.524 -2.168 0.040) 2.231 2.101 ( -0.524 2.168 0.040) 2.231 2.132 ( -1.777 -1.426 6.549) 6.934 2.132 ( -1.777 1.426 6.549) 6.934 2.246 ( -1.607 -3.092 2.645) 4.375 2.246 ( -1.607 3.092 2.645) 4.375 2.391 ( 1.650 -1.678 4.488) 5.067 2.391 ( 1.650 1.678 4.488) 5.067 2.513 ( 0.231 -4.431 -1.455) 4.669 2.513 ( 0.231 4.431 -1.455) 4.669 2.628 ( -0.246 -0.208 -3.191) 3.208 2.628 ( -0.246 0.208 -3.191) 3.208 2.809 ( 3.887 -3.390 3.932) 6.485 2.809 ( 3.887 3.390 3.932) 6.485 3.062 ( -4.479 -5.763 12.052) 14.090 3.062 ( -4.479 5.763 12.052) 14.090 3.118 ( -3.046 -3.890 4.477) 6.668 3.118 ( -3.046 3.890 4.477) 6.668 3.261 ( -2.399 -5.469 5.099) 7.853 3.261 ( -2.399 5.469 5.099) 7.853 3.368 ( 4.610 -1.566 1.253) 5.027 3.368 ( 4.610 1.566 1.253) 5.027 3.477 ( -1.778 -4.116 0.506) 4.512 3.477 ( -1.778 4.116 0.506) 4.512 3.904 ( -5.127 -2.750 0.627) 5.852 3.904 ( -5.127 2.750 0.627) 5.852 4.046 ( 0.911 -3.290 -4.094) 5.330 4.046 ( 0.911 3.290 -4.094) 5.330 4.273 ( -2.932 -5.997 2.449) 7.110 4.273 ( -2.932 5.997 2.449) 7.110 4.407 ( 6.548 -6.180 -1.568) 9.139 4.407 ( 6.548 6.180 -1.568) 9.139 4.636 ( 3.465 -3.652 -2.266) 5.521 4.636 ( 3.465 3.652 -2.266) 5.521 4.732 ( -2.434 -3.491 -1.136) 4.405 4.732 ( -2.434 3.491 -1.136) 4.405 5.390 ( 1.947 -4.543 -5.153) 7.140 5.390 ( 1.947 4.543 -5.153) 7.140 5.455 ( 0.812 -5.739 -11.189) 12.601 5.455 ( 0.812 5.739 -11.189) 12.601 5.803 ( 17.978 -3.179 6.226) 19.289 5.803 ( 17.978 3.179 6.226) 19.289 6.138 ( 0.448 -1.378 6.747) 6.901 6.138 ( 0.448 1.378 6.747) 6.901 6.392 ( -0.441 -3.616 0.583) 3.689 6.392 ( -0.441 3.616 0.583) 3.689 6.879 ( -1.468 -1.911 -1.950) 3.100 6.879 ( -1.468 1.911 -1.950) 3.100 6.964 ( -3.656 -3.088 -6.862) 8.366 6.964 ( -3.656 3.088 -6.862) 8.366 7.175 ( -10.762 -12.197 9.608) 18.892 7.175 ( -10.762 12.197 9.608) 18.892 7.490 ( -2.499 -0.441 5.368) 5.937 7.490 ( -2.499 0.441 5.368) 5.937 7.768 ( -0.737 -4.362 -1.590) 4.700 7.768 ( -0.737 4.362 -1.590) 4.700 8.062 ( -1.649 -8.317 -2.268) 8.777 8.062 ( -1.649 8.317 -2.268) 8.777 8.190 ( 2.499 -6.813 1.455) 7.401 8.190 ( 2.499 6.813 1.455) 7.401 8.582 ( 4.993 -7.205 7.014) 11.227 8.582 ( 4.993 7.205 7.014) 11.227 8.852 ( 0.233 -2.233 6.597) 6.969 8.852 ( 0.233 2.233 6.597) 6.969 9.166 ( -1.487 -5.642 1.846) 6.120 9.166 ( -1.487 5.642 1.846) 6.120 9.473 ( 3.160 -7.858 -7.033) 11.009 9.473 ( 3.160 7.858 -7.033) 11.009 9.623 ( 4.216 -14.842 6.481) 16.735 9.623 ( 4.216 14.842 6.481) 16.735 9.895 ( 0.758 -11.150 1.148) 11.235 9.895 ( 0.758 11.150 1.148) 11.235 10.124 ( -3.499 -3.590 5.242) 7.253 10.124 ( -3.499 3.590 5.242) 7.253 10.447 ( 6.655 -7.427 0.533) 9.986 10.447 ( 6.655 7.427 0.533) 9.986 10.812 ( -2.698 -9.778 15.631) 18.634 10.812 ( -2.698 9.778 15.631) 18.634 11.140 ( -6.751 -8.293 13.719) 17.394 11.140 ( -6.751 8.293 13.719) 17.394 11.721 ( -2.541 -5.215 -5.531) 8.015 11.721 ( -2.541 5.215 -5.531) 8.015 12.041 ( 2.046 -2.564 -7.031) 7.758 12.041 ( 2.046 2.564 -7.031) 7.758 12.215 ( 1.405 -3.133 2.103) 4.026 12.215 ( 1.405 3.133 2.103) 4.026 12.636 ( 0.632 -1.730 -0.539) 1.919 12.636 ( 0.632 1.730 -0.539) 1.919 12.965 ( -0.386 -3.332 2.581) 4.232 12.965 ( -0.386 3.332 2.581) 4.232 13.367 ( 1.467 -5.804 -6.409) 8.770 13.367 ( 1.467 5.804 -6.409) 8.770 13.799 ( -0.067 -13.010 4.517) 13.772 13.799 ( -0.067 13.010 4.517) 13.772 14.595 ( -2.866 -14.811 -9.076) 17.606 14.595 ( -2.866 14.811 -9.076) 17.606 15.953 ( 3.495 -2.757 1.313) 4.641 15.953 ( 3.495 2.757 1.313) 4.641 16.394 ( -0.049 -13.852 -14.116) 19.777 16.394 ( -0.049 13.852 -14.116) 19.777 ======================= Grid point 110 (62/96) ======================= q-point: ( 0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 2.580 -10.607 11.368) 15.760 1.157 ( 2.580 10.607 11.368) 15.760 1.386 ( 2.733 -6.753 17.524) 18.978 1.386 ( 2.733 6.753 17.524) 18.978 1.614 ( 1.968 -3.417 0.633) 3.994 1.614 ( 1.968 3.417 0.633) 3.994 1.933 ( 1.379 -2.955 4.160) 5.286 1.933 ( 1.379 2.955 4.160) 5.286 2.080 ( -0.170 -5.418 -3.074) 6.232 2.080 ( -0.170 5.418 -3.074) 6.232 2.149 ( -1.265 -1.355 6.889) 7.134 2.149 ( -1.265 1.355 6.889) 7.134 2.264 ( 1.776 -4.990 3.035) 6.105 2.264 ( 1.776 4.990 3.035) 6.105 2.420 ( -0.732 -2.556 4.529) 5.251 2.420 ( -0.732 2.556 4.529) 5.251 2.459 ( -4.082 -4.042 -2.055) 6.101 2.459 ( -4.082 4.042 -2.055) 6.101 2.596 ( -1.668 -2.049 -3.507) 4.391 2.596 ( -1.668 2.049 -3.507) 4.391 2.832 ( -5.475 -2.382 3.705) 7.027 2.832 ( -5.475 2.382 3.705) 7.027 2.957 ( -2.070 -5.272 3.778) 6.808 2.957 ( -2.070 5.272 3.778) 6.808 3.188 ( -0.913 -5.878 14.382) 15.563 3.188 ( -0.913 5.878 14.382) 15.563 3.278 ( -2.002 -5.328 1.627) 5.920 3.278 ( -2.002 5.328 1.627) 5.920 3.352 ( -3.643 -0.331 2.878) 4.655 3.352 ( -3.643 0.331 2.878) 4.655 3.508 ( 2.149 -3.588 2.721) 4.990 3.508 ( 2.149 3.588 2.721) 4.990 3.823 ( -3.026 -2.772 2.180) 4.647 3.823 ( -3.026 2.772 2.180) 4.647 4.032 ( 1.216 -2.791 -5.145) 5.978 4.032 ( 1.216 2.791 -5.145) 5.978 4.256 ( 0.085 -3.567 1.267) 3.787 4.256 ( 0.085 3.567 1.267) 3.787 4.509 ( 1.824 -3.077 2.849) 4.573 4.509 ( 1.824 3.077 2.849) 4.573 4.666 ( 2.984 -8.162 -1.100) 8.760 4.666 ( 2.984 8.162 -1.100) 8.760 4.731 ( 2.215 -0.656 -6.680) 7.069 4.731 ( 2.215 0.656 -6.680) 7.069 5.349 ( -0.201 -1.573 -9.899) 10.025 5.349 ( -0.201 1.573 -9.899) 10.025 5.434 ( 1.900 -2.102 -6.810) 7.376 5.434 ( 1.900 2.102 -6.810) 7.376 5.888 ( -3.560 -3.341 -1.232) 5.035 5.888 ( -3.560 3.341 -1.232) 5.035 6.351 ( 3.384 -1.874 3.515) 5.226 6.351 ( 3.384 1.874 3.515) 5.226 6.449 ( 10.414 -0.976 1.443) 10.558 6.449 ( 10.414 0.976 1.443) 10.558 6.782 ( -6.141 -1.891 7.898) 10.182 6.782 ( -6.141 1.891 7.898) 10.182 6.859 ( -2.307 -1.448 -9.628) 10.006 6.859 ( -2.307 1.448 -9.628) 10.006 7.202 ( 5.996 -6.499 6.041) 10.709 7.202 ( 5.996 6.499 6.041) 10.709 7.490 ( -0.071 -0.613 5.768) 5.801 7.490 ( -0.071 0.613 5.768) 5.801 7.759 ( 0.595 -4.040 -1.199) 4.256 7.759 ( 0.595 4.040 -1.199) 4.256 8.028 ( -0.797 -8.509 -0.771) 8.581 8.028 ( -0.797 8.509 -0.771) 8.581 8.278 ( 5.527 -6.293 1.608) 8.529 8.278 ( 5.527 6.293 1.608) 8.529 8.688 ( 2.024 -7.920 3.268) 8.803 8.688 ( 2.024 7.920 3.268) 8.803 8.897 ( 0.707 -2.094 4.527) 5.038 8.897 ( 0.707 2.094 4.527) 5.038 9.125 ( -1.816 -5.579 -0.015) 5.867 9.125 ( -1.816 5.579 -0.015) 5.867 9.457 ( -1.368 -10.113 -5.845) 11.760 9.457 ( -1.368 10.113 -5.845) 11.760 9.683 ( -0.444 -8.672 1.450) 8.804 9.683 ( -0.444 8.672 1.450) 8.804 9.888 ( -2.163 -6.566 0.279) 6.919 9.888 ( -2.163 6.566 0.279) 6.919 10.077 ( -2.795 -2.482 3.415) 5.063 10.077 ( -2.795 2.482 3.415) 5.063 10.530 ( 1.140 -9.029 1.855) 9.288 10.530 ( 1.140 9.029 1.855) 9.288 10.892 ( -1.836 -7.425 11.798) 14.060 10.892 ( -1.836 7.425 11.798) 14.060 11.144 ( 1.715 -15.196 18.098) 23.694 11.144 ( 1.715 15.196 18.098) 23.694 11.664 ( 0.140 -6.174 -5.201) 8.074 11.664 ( 0.140 6.174 -5.201) 8.074 12.043 ( 2.365 -3.637 -8.356) 9.415 12.043 ( 2.365 3.637 -8.356) 9.415 12.248 ( 0.435 -3.836 2.271) 4.479 12.248 ( 0.435 3.836 2.271) 4.479 12.635 ( -0.131 -0.965 -1.412) 1.715 12.635 ( -0.131 0.965 -1.412) 1.715 12.967 ( -0.957 -3.771 2.623) 4.692 12.967 ( -0.957 3.771 2.623) 4.692 13.368 ( 2.355 -4.647 -6.357) 8.219 13.368 ( 2.355 4.647 -6.357) 8.219 13.809 ( -1.422 -11.488 4.237) 12.327 13.809 ( -1.422 11.488 4.237) 12.327 14.473 ( -4.797 -13.182 -6.178) 15.328 14.473 ( -4.797 13.182 -6.178) 15.328 16.019 ( 2.403 -4.223 0.508) 4.886 16.019 ( 2.403 4.223 0.508) 4.886 16.289 ( -2.618 -10.633 -11.201) 15.664 16.289 ( -2.618 10.633 -11.201) 15.664 ======================= Grid point 112 (63/96) ======================= q-point: ( 0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 8.471 -7.467 9.333) 14.650 1.322 ( 8.471 7.467 9.333) 14.650 1.537 ( 3.499 -4.146 14.712) 15.681 1.537 ( 3.499 4.146 14.712) 15.681 1.703 ( 7.171 -1.511 1.830) 7.553 1.703 ( 7.171 1.511 1.830) 7.553 1.947 ( -1.027 -2.486 2.749) 3.846 1.947 ( -1.027 2.486 2.749) 3.846 2.044 ( -4.132 -2.511 2.827) 5.601 2.044 ( -4.132 2.511 2.827) 5.601 2.156 ( 0.275 -6.001 -0.649) 6.042 2.156 ( 0.275 6.001 -0.649) 6.042 2.280 ( -4.005 -3.067 3.437) 6.104 2.280 ( -4.005 3.067 3.437) 6.104 2.383 ( -1.523 -1.458 -1.847) 2.803 2.383 ( -1.523 1.458 -1.847) 2.803 2.442 ( -0.056 -1.977 2.205) 2.963 2.442 ( -0.056 1.977 2.205) 2.963 2.502 ( -5.592 -4.093 -2.433) 7.344 2.502 ( -5.592 4.093 -2.433) 7.344 2.781 ( -1.862 -1.232 2.736) 3.532 2.781 ( -1.862 1.232 2.736) 3.532 2.973 ( 0.361 -1.233 3.641) 3.861 2.973 ( 0.361 1.233 3.641) 3.861 3.087 ( -10.620 -3.342 -1.656) 11.256 3.087 ( -10.620 3.342 -1.656) 11.256 3.213 ( -4.175 -4.070 6.913) 9.044 3.213 ( -4.175 4.070 6.913) 9.044 3.390 ( 0.879 -3.261 10.956) 11.465 3.390 ( 0.879 3.261 10.956) 11.465 3.593 ( 3.145 -2.520 5.857) 7.110 3.593 ( 3.145 2.520 5.857) 7.110 3.783 ( -3.202 -2.859 4.013) 5.876 3.783 ( -3.202 2.859 4.013) 5.876 4.074 ( 6.260 -2.547 -5.772) 8.888 4.074 ( 6.260 2.547 -5.772) 8.888 4.276 ( 0.421 -6.729 1.798) 6.978 4.276 ( 0.421 6.729 1.798) 6.978 4.514 ( -0.755 -1.300 1.888) 2.414 4.514 ( -0.755 1.300 1.888) 2.414 4.623 ( -5.646 -3.534 -8.962) 11.166 4.623 ( -5.646 3.534 -8.962) 11.166 4.785 ( 5.338 -3.543 -2.433) 6.853 4.785 ( 5.338 3.543 -2.433) 6.853 5.298 ( 0.427 -2.922 -8.107) 8.628 5.298 ( 0.427 2.922 -8.107) 8.628 5.453 ( 3.199 -3.413 -3.987) 6.146 5.453 ( 3.199 3.413 -3.987) 6.146 5.828 ( -1.103 -1.883 -3.142) 3.826 5.828 ( -1.103 1.883 -3.142) 3.826 6.305 ( -5.536 -2.154 -0.536) 5.964 6.305 ( -5.536 2.154 -0.536) 5.964 6.566 ( 0.594 -2.774 4.178) 5.051 6.566 ( 0.594 2.774 4.178) 5.051 6.726 ( -1.213 -4.577 -7.758) 9.089 6.726 ( -1.213 4.577 -7.758) 9.089 6.883 ( 5.185 -5.197 3.374) 8.079 6.883 ( 5.185 5.197 3.374) 8.079 7.333 ( 3.290 -2.646 3.114) 5.246 7.333 ( 3.290 2.646 3.114) 5.246 7.590 ( 7.343 -2.029 5.556) 9.429 7.590 ( 7.343 2.029 5.556) 9.429 7.777 ( 1.944 -4.550 -0.638) 4.989 7.777 ( 1.944 4.550 -0.638) 4.989 8.022 ( 0.185 -6.905 0.023) 6.908 8.022 ( 0.185 6.905 0.023) 6.908 8.394 ( 5.496 -6.336 1.543) 8.529 8.394 ( 5.496 6.336 1.543) 8.529 8.681 ( -4.387 -7.088 3.005) 8.861 8.681 ( -4.387 7.088 3.005) 8.861 8.868 ( -4.017 -1.827 -1.579) 4.687 8.868 ( -4.017 1.827 -1.579) 4.687 9.156 ( 3.596 -6.279 -2.140) 7.546 9.156 ( 3.596 6.279 -2.140) 7.546 9.379 ( -2.674 -8.114 -1.373) 8.653 9.379 ( -2.674 8.114 -1.373) 8.653 9.650 ( -1.725 -8.219 -2.838) 8.864 9.650 ( -1.725 8.219 -2.838) 8.864 9.836 ( -2.725 -4.937 -0.427) 5.655 9.836 ( -2.725 4.937 -0.427) 5.655 10.052 ( -1.647 -3.657 0.689) 4.069 10.052 ( -1.647 3.657 0.689) 4.069 10.516 ( -3.370 -5.022 -0.488) 6.068 10.516 ( -3.370 5.022 -0.488) 6.068 10.858 ( -6.787 -3.590 15.417) 17.222 10.858 ( -6.787 3.590 15.417) 17.222 11.353 ( 7.671 -16.156 13.115) 22.178 11.353 ( 7.671 16.156 13.115) 22.178 11.690 ( 5.534 -6.227 -2.899) 8.821 11.690 ( 5.534 6.227 -2.899) 8.821 12.026 ( 0.443 -6.174 -8.109) 10.201 12.026 ( 0.443 6.174 -8.109) 10.201 12.246 ( -1.639 -4.259 0.974) 4.666 12.246 ( -1.639 4.259 0.974) 4.666 12.623 ( 0.319 -0.823 -2.915) 3.046 12.623 ( 0.319 0.823 -2.915) 3.046 12.953 ( -2.275 -4.078 3.012) 5.557 12.953 ( -2.275 4.078 3.012) 5.557 13.379 ( 2.499 -3.160 -6.260) 7.444 13.379 ( 2.499 3.160 -6.260) 7.444 13.795 ( -2.103 -9.236 3.158) 9.985 13.795 ( -2.103 9.236 3.158) 9.985 14.373 ( -3.290 -10.060 -2.467) 10.868 14.373 ( -3.290 10.060 -2.467) 10.868 16.024 ( -1.249 -7.838 -2.477) 8.314 16.024 ( -1.249 7.838 -2.477) 8.314 16.215 ( 0.032 -5.156 -5.687) 7.676 16.215 ( 0.032 5.156 -5.687) 7.676 ======================= Grid point 114 (64/96) ======================= q-point: ( 0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 10.136 -4.706 6.152) 12.757 1.543 ( 10.136 4.706 6.152) 12.757 1.662 ( 2.329 -1.064 10.902) 11.198 1.662 ( 2.329 1.064 10.902) 11.198 1.868 ( 6.200 -2.891 2.072) 7.148 1.868 ( 6.200 2.891 2.072) 7.148 1.944 ( -2.196 -1.284 6.271) 6.768 1.944 ( -2.196 1.284 6.271) 6.768 2.002 ( 0.187 -2.293 2.356) 3.293 2.002 ( 0.187 2.293 2.356) 3.293 2.134 ( -2.592 -3.169 -0.383) 4.112 2.134 ( -2.592 3.169 -0.383) 4.112 2.194 ( -3.752 -2.180 1.348) 4.544 2.194 ( -3.752 2.180 1.348) 4.544 2.344 ( -4.556 -4.421 -2.477) 6.815 2.344 ( -4.556 4.421 -2.477) 6.815 2.373 ( -3.510 -1.924 0.298) 4.013 2.373 ( -3.510 1.924 0.298) 4.013 2.436 ( -2.743 -1.765 -1.835) 3.743 2.436 ( -2.743 1.765 -1.835) 3.743 2.683 ( -8.754 -4.915 -1.678) 10.179 2.683 ( -8.754 4.915 -1.678) 10.179 2.929 ( -3.769 -3.036 4.492) 6.603 2.929 ( -3.769 3.036 4.492) 6.603 3.086 ( 3.380 -2.589 9.785) 10.671 3.086 ( 3.380 2.589 9.785) 10.671 3.166 ( -2.825 -7.318 3.156) 8.455 3.166 ( -2.825 7.318 3.156) 8.455 3.459 ( -0.118 -5.537 4.236) 6.973 3.459 ( -0.118 5.537 4.236) 6.973 3.596 ( -3.858 -3.137 7.580) 9.065 3.596 ( -3.858 3.137 7.580) 9.065 3.819 ( 3.819 -4.089 1.058) 5.694 3.819 ( 3.819 4.089 1.058) 5.694 4.149 ( 4.096 -2.243 -6.556) 8.049 4.149 ( 4.096 2.243 -6.556) 8.049 4.260 ( -3.439 -7.476 1.933) 8.453 4.260 ( -3.439 7.476 1.933) 8.453 4.421 ( -9.034 -5.010 -5.075) 11.509 4.421 ( -9.034 5.010 -5.075) 11.509 4.560 ( 4.565 -1.463 1.736) 5.099 4.560 ( 4.565 1.463 1.736) 5.099 4.837 ( 2.182 -3.206 -4.899) 6.248 4.837 ( 2.182 3.206 -4.899) 6.248 5.283 ( 1.461 -2.275 -5.001) 5.685 5.283 ( 1.461 2.275 -5.001) 5.685 5.490 ( 2.306 -7.297 -3.200) 8.295 5.490 ( 2.306 7.297 -3.200) 8.295 5.796 ( -0.496 -2.499 -6.716) 7.183 5.796 ( -0.496 2.499 -6.716) 7.183 6.180 ( -5.400 -1.730 -3.165) 6.494 6.180 ( -5.400 1.730 -3.165) 6.494 6.593 ( 1.298 -2.876 0.348) 3.174 6.593 ( 1.298 2.876 0.348) 3.174 6.718 ( 2.491 -3.861 0.372) 4.610 6.718 ( 2.491 3.861 0.372) 4.610 6.964 ( 1.442 -3.319 3.746) 5.208 6.964 ( 1.442 3.319 3.746) 5.208 7.378 ( 0.529 -4.608 3.763) 5.973 7.378 ( 0.529 4.608 3.763) 5.973 7.730 ( 3.935 -7.474 1.065) 8.514 7.730 ( 3.935 7.474 1.065) 8.514 7.830 ( 3.696 -6.905 0.575) 7.853 7.830 ( 3.696 6.905 0.575) 7.853 8.034 ( 1.510 -4.180 -1.124) 4.584 8.034 ( 1.510 4.180 -1.124) 4.584 8.459 ( -1.637 -5.662 0.740) 5.941 8.459 ( -1.637 5.662 0.740) 5.941 8.590 ( -3.261 -5.341 -0.310) 6.265 8.590 ( -3.261 5.341 -0.310) 6.265 8.794 ( -2.419 -1.461 -1.737) 3.317 8.794 ( -2.419 1.461 -1.737) 3.317 9.114 ( -4.246 -1.421 -5.485) 7.080 9.114 ( -4.246 1.421 -5.485) 7.080 9.435 ( 6.457 -1.113 2.038) 6.862 9.435 ( 6.457 1.113 2.038) 6.862 9.608 ( -0.431 -7.887 -4.295) 8.991 9.608 ( -0.431 7.887 -4.295) 8.991 9.787 ( -2.432 -4.551 -0.715) 5.210 9.787 ( -2.432 4.551 -0.715) 5.210 10.025 ( -0.990 -5.370 -0.970) 5.546 10.025 ( -0.990 5.370 -0.970) 5.546 10.400 ( -7.837 -1.862 -1.626) 8.218 10.400 ( -7.837 1.862 -1.626) 8.218 10.842 ( -4.492 -0.928 15.665) 16.323 10.842 ( -4.492 0.928 15.665) 16.323 11.523 ( 4.439 -7.863 9.153) 12.857 11.523 ( 4.439 7.863 9.153) 12.857 11.827 ( 8.780 -8.752 -0.515) 12.407 11.827 ( 8.780 8.752 -0.515) 12.407 11.967 ( -1.942 -10.140 -7.598) 12.819 11.967 ( -1.942 10.140 -7.598) 12.819 12.209 ( -2.403 -2.742 0.945) 3.766 12.209 ( -2.403 2.742 0.945) 3.766 12.618 ( 1.414 -1.019 -5.002) 5.297 12.618 ( 1.414 1.019 -5.002) 5.297 12.918 ( -3.284 -4.272 3.676) 6.523 12.918 ( -3.284 4.272 3.676) 6.523 13.391 ( 2.369 -1.849 -6.068) 6.772 13.391 ( 2.369 1.849 -6.068) 6.772 13.772 ( -1.824 -8.234 2.107) 8.693 13.772 ( -1.824 8.234 2.107) 8.693 14.323 ( -1.467 -7.847 -0.273) 7.988 14.323 ( -1.467 7.847 -0.273) 7.988 15.979 ( -1.173 -7.860 -3.095) 8.529 15.979 ( -1.173 7.860 -3.095) 8.529 16.205 ( 0.767 -2.677 -3.418) 4.409 16.205 ( 0.767 2.677 -3.418) 4.409 ======================= Grid point 116 (65/96) ======================= q-point: (-0.56 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 1.113 -0.725 6.877) 7.004 1.725 ( 1.113 0.725 6.877) 7.004 1.736 ( 2.323 -1.068 4.043) 4.783 1.736 ( 2.323 1.068 4.043) 4.783 1.847 ( -5.048 -1.253 6.315) 8.181 1.847 ( -5.048 1.253 6.315) 8.181 1.931 ( -5.598 -2.731 3.762) 7.277 1.931 ( -5.598 2.731 3.762) 7.277 2.021 ( 3.263 -1.253 -0.188) 3.500 2.021 ( 3.263 1.253 -0.188) 3.500 2.136 ( -2.303 -2.761 0.107) 3.597 2.136 ( -2.303 2.761 0.107) 3.597 2.204 ( -3.833 -2.591 2.870) 5.444 2.204 ( -3.833 2.591 2.870) 5.444 2.230 ( 1.168 -1.008 0.721) 1.703 2.230 ( 1.168 1.008 0.721) 1.703 2.328 ( -0.196 -2.643 -0.443) 2.687 2.328 ( -0.196 2.643 -0.443) 2.687 2.425 ( 5.610 -2.034 -1.902) 6.263 2.425 ( 5.610 2.034 -1.902) 6.263 2.542 ( -4.143 -5.461 -2.210) 7.202 2.542 ( -4.143 5.461 -2.210) 7.202 2.891 ( -5.178 -1.417 9.292) 10.732 2.891 ( -5.178 1.417 9.292) 10.732 3.080 ( -3.380 -7.339 -1.863) 8.292 3.080 ( -3.380 7.339 -1.863) 8.292 3.218 ( -3.269 -2.906 14.826) 15.458 3.218 ( -3.269 2.906 14.826) 15.458 3.428 ( 0.012 -6.084 1.567) 6.283 3.428 ( 0.012 6.084 1.567) 6.283 3.612 ( -1.227 -5.420 1.009) 5.648 3.612 ( -1.227 5.420 1.009) 5.648 3.820 ( -3.135 -5.774 -3.488) 7.438 3.820 ( -3.135 5.774 -3.488) 7.438 4.133 ( -0.768 -5.121 -2.797) 5.886 4.133 ( -0.768 5.121 -2.797) 5.886 4.206 ( -1.941 -3.741 0.927) 4.315 4.206 ( -1.941 3.741 0.927) 4.315 4.339 ( 1.335 -5.547 0.862) 5.770 4.339 ( 1.335 5.547 0.862) 5.770 4.662 ( 3.964 -1.841 -2.494) 5.032 4.662 ( 3.964 1.841 -2.494) 5.032 4.837 ( 2.176 -5.409 -3.453) 6.776 4.837 ( 2.176 5.409 -3.453) 6.776 5.269 ( -1.270 -2.716 -4.432) 5.351 5.269 ( -1.270 2.716 -4.432) 5.351 5.487 ( -0.523 -8.875 -3.778) 9.660 5.487 ( -0.523 8.875 -3.778) 9.660 5.714 ( -2.328 -6.556 -10.699) 12.762 5.714 ( -2.328 6.556 -10.699) 12.762 6.124 ( -0.343 -3.692 2.272) 4.348 6.124 ( -0.343 3.692 2.272) 4.348 6.628 ( 3.113 -3.637 -1.937) 5.164 6.628 ( 3.113 3.637 -1.937) 5.164 6.766 ( -0.045 -3.103 3.769) 4.882 6.766 ( -0.045 3.103 3.769) 4.882 7.011 ( 2.474 -1.983 3.045) 4.396 7.011 ( 2.474 1.983 3.045) 4.396 7.410 ( 0.645 -5.169 4.772) 7.065 7.410 ( 0.645 5.169 4.772) 7.065 7.758 ( 0.074 -4.166 -1.871) 4.567 7.758 ( 0.074 4.166 -1.871) 4.567 7.885 ( 1.075 -1.148 0.248) 1.593 7.885 ( 1.075 1.148 0.248) 1.593 8.067 ( 2.892 -1.930 -0.771) 3.561 8.067 ( 2.892 1.930 -0.771) 3.561 8.340 ( -7.226 -3.328 -2.886) 8.463 8.340 ( -7.226 3.328 -2.886) 8.463 8.588 ( 1.559 -10.577 -3.030) 11.112 8.588 ( 1.559 10.577 -3.030) 11.112 8.760 ( -1.511 -3.158 1.775) 3.926 8.760 ( -1.511 3.158 1.775) 3.926 9.019 ( -1.648 -6.429 -6.107) 9.019 9.019 ( -1.648 6.429 -6.107) 9.019 9.521 ( 0.718 -3.506 -2.298) 4.253 9.521 ( 0.718 3.506 -2.298) 4.253 9.611 ( 2.540 -2.882 0.047) 3.841 9.611 ( 2.540 2.882 0.047) 3.841 9.737 ( -2.255 -3.409 -0.607) 4.132 9.737 ( -2.255 3.409 -0.607) 4.132 10.011 ( 0.195 -6.631 -0.971) 6.704 10.011 ( 0.195 6.631 -0.971) 6.704 10.243 ( -7.257 -2.182 -1.418) 7.710 10.243 ( -7.257 2.182 -1.418) 7.710 10.856 ( -2.937 -6.677 15.199) 16.859 10.856 ( -2.937 6.677 15.199) 16.859 11.611 ( -1.125 -10.097 6.546) 12.085 11.611 ( -1.125 10.097 6.546) 12.085 11.858 ( -1.274 -8.180 -5.442) 9.907 11.858 ( -1.274 8.180 -5.442) 9.907 12.005 ( 6.972 -5.342 -0.547) 8.801 12.005 ( 6.972 5.342 -0.547) 8.801 12.182 ( -0.676 -3.321 0.735) 3.468 12.182 ( -0.676 3.321 0.735) 3.468 12.613 ( 1.284 -2.143 -6.448) 6.915 12.613 ( 1.284 2.143 -6.448) 6.915 12.884 ( -2.367 -4.394 4.198) 6.521 12.884 ( -2.367 4.394 4.198) 6.521 13.401 ( 2.295 -1.782 -5.982) 6.650 13.401 ( 2.295 1.782 -5.982) 6.650 13.752 ( -1.488 -8.726 1.663) 9.007 13.752 ( -1.488 8.726 1.663) 9.007 14.313 ( 0.454 -8.098 0.373) 8.119 14.313 ( 0.454 8.098 0.373) 8.119 15.959 ( 0.559 -6.495 -2.344) 6.927 15.959 ( 0.559 6.495 -2.344) 6.927 16.197 ( 0.513 -1.950 -3.445) 3.992 16.197 ( 0.513 1.950 -3.445) 3.992 ======================= Grid point 118 (66/96) ======================= q-point: (-0.44 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -12.838 -4.100 3.806) 14.004 1.596 ( -12.838 4.100 3.806) 14.004 1.723 ( -7.393 -2.416 6.665) 10.243 1.723 ( -7.393 2.416 6.665) 10.243 1.840 ( -1.769 -0.653 7.523) 7.756 1.840 ( -1.769 0.653 7.523) 7.756 1.934 ( -2.166 -1.854 2.882) 4.054 1.934 ( -2.166 1.854 2.882) 4.054 2.006 ( -2.134 -2.700 2.273) 4.125 2.006 ( -2.134 2.700 2.273) 4.125 2.108 ( 4.507 -3.690 0.454) 5.842 2.108 ( 4.507 3.690 0.454) 5.842 2.164 ( -1.630 -1.528 0.656) 2.328 2.164 ( -1.630 1.528 0.656) 2.328 2.238 ( -1.810 -2.115 1.572) 3.197 2.238 ( -1.810 2.115 1.572) 3.197 2.387 ( 4.718 -1.218 -2.285) 5.382 2.387 ( 4.718 1.218 -2.285) 5.382 2.517 ( 4.494 -2.085 -1.578) 5.200 2.517 ( 4.494 2.085 -1.578) 5.200 2.601 ( 7.411 -4.004 -0.087) 8.424 2.601 ( 7.411 4.004 -0.087) 8.424 2.864 ( 0.486 -5.273 5.695) 7.777 2.864 ( 0.486 5.273 5.695) 7.777 3.001 ( -3.678 -8.106 -1.671) 9.057 3.001 ( -3.678 8.106 -1.671) 9.057 3.154 ( -9.058 -2.973 11.823) 15.187 3.154 ( -9.058 2.973 11.823) 15.187 3.421 ( -12.442 -5.848 5.315) 14.740 3.421 ( -12.442 5.848 5.315) 14.740 3.526 ( 1.352 -4.791 2.039) 5.380 3.526 ( 1.352 4.791 2.039) 5.380 3.810 ( 3.468 -5.948 -1.092) 6.972 3.810 ( 3.468 5.948 -1.092) 6.972 4.102 ( -3.284 -9.646 2.102) 10.404 4.102 ( -3.284 9.646 2.102) 10.404 4.226 ( 4.359 -1.423 -2.442) 5.195 4.226 ( 4.359 1.423 -2.442) 5.195 4.412 ( 4.798 -4.750 0.126) 6.753 4.412 ( 4.798 4.750 0.126) 6.753 4.625 ( -3.098 -3.316 -8.507) 9.642 4.625 ( -3.098 3.316 -8.507) 9.642 4.913 ( 5.413 -4.291 -1.056) 6.988 4.913 ( 5.413 4.291 -1.056) 6.988 5.166 ( -6.485 -2.594 -4.717) 8.428 5.166 ( -6.485 2.594 -4.717) 8.428 5.449 ( -1.047 -7.597 -3.459) 8.413 5.449 ( -1.047 7.597 -3.459) 8.413 5.639 ( -0.118 -7.323 -7.412) 10.420 5.639 ( -0.118 7.323 -7.412) 10.420 6.151 ( 0.505 -3.571 3.407) 4.961 6.151 ( 0.505 3.571 3.407) 4.961 6.679 ( 2.658 -2.972 -1.588) 4.292 6.679 ( 2.658 2.972 -1.588) 4.292 6.759 ( -1.461 -1.888 3.170) 3.968 6.759 ( -1.461 1.888 3.170) 3.968 7.076 ( 2.406 -3.867 1.054) 4.675 7.076 ( 2.406 3.867 1.054) 4.675 7.452 ( 0.822 -3.951 4.417) 5.983 7.452 ( 0.822 3.951 4.417) 5.983 7.738 ( -0.326 -1.046 -2.093) 2.363 7.738 ( -0.326 1.046 -2.093) 2.363 7.858 ( -2.865 -2.264 -2.319) 4.326 7.858 ( -2.865 2.264 -2.319) 4.326 8.119 ( 0.710 -3.885 -2.321) 4.581 8.119 ( 0.710 3.885 -2.321) 4.581 8.245 ( 0.813 -3.597 1.100) 3.848 8.245 ( 0.813 3.597 1.100) 3.848 8.580 ( -1.353 -13.624 -1.713) 13.797 8.580 ( -1.353 13.624 -1.713) 13.797 8.736 ( -2.446 -4.077 1.406) 4.958 8.736 ( -2.446 4.077 1.406) 4.958 9.006 ( 4.095 -9.292 -6.668) 12.148 9.006 ( 4.095 9.292 -6.668) 12.148 9.477 ( -2.929 -7.461 -3.310) 8.672 9.477 ( -2.929 7.461 -3.310) 8.672 9.608 ( -3.666 -1.752 1.155) 4.224 9.608 ( -3.666 1.752 1.155) 4.224 9.724 ( 0.646 -1.210 0.573) 1.487 9.724 ( 0.646 1.210 0.573) 1.487 10.013 ( -0.236 -4.136 -0.182) 4.147 10.013 ( -0.236 4.136 -0.182) 4.147 10.156 ( -0.641 -3.659 -0.360) 3.732 10.156 ( -0.641 3.659 -0.360) 3.732 10.904 ( -0.994 -10.521 16.008) 19.182 10.904 ( -0.994 10.521 16.008) 19.182 11.514 ( -10.091 -19.614 1.162) 22.089 11.514 ( -10.091 19.614 1.162) 22.089 11.863 ( 2.195 -4.520 -0.907) 5.106 11.863 ( 2.195 4.520 -0.907) 5.106 12.092 ( 2.269 -1.726 1.066) 3.044 12.092 ( 2.269 1.726 1.066) 3.044 12.197 ( 2.240 -4.294 -2.408) 5.408 12.197 ( 2.240 4.294 -2.408) 5.408 12.599 ( 0.974 -3.404 -5.784) 6.781 12.599 ( 0.974 3.404 -5.784) 6.781 12.880 ( -0.528 -4.002 3.988) 5.674 12.880 ( -0.528 4.002 3.988) 5.674 13.410 ( 2.144 -2.702 -6.061) 6.974 13.410 ( 2.144 2.702 -6.061) 6.974 13.735 ( -1.316 -9.482 1.750) 9.731 13.735 ( -1.316 9.482 1.750) 9.731 14.348 ( 3.252 -10.649 0.217) 11.136 14.348 ( 3.252 10.649 0.217) 11.136 15.963 ( 0.809 -4.195 -2.482) 4.941 15.963 ( 0.809 4.195 -2.482) 4.941 16.197 ( 1.951 -2.740 -3.512) 4.863 16.197 ( 1.951 2.740 -3.512) 4.863 ======================= Grid point 120 (67/96) ======================= q-point: (-0.33 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( -13.863 -6.426 6.111) 16.457 1.368 ( -13.863 6.426 6.111) 16.457 1.573 ( -12.780 -6.249 10.661) 17.778 1.573 ( -12.780 6.249 10.661) 17.778 1.803 ( -4.356 -3.353 3.259) 6.390 1.803 ( -4.356 3.353 3.259) 6.390 1.933 ( 0.444 -0.554 6.225) 6.265 1.933 ( 0.444 0.554 6.225) 6.265 2.039 ( 0.689 -2.205 2.915) 3.719 2.039 ( 0.689 2.205 2.915) 3.719 2.090 ( -1.572 -2.569 -1.526) 3.376 2.090 ( -1.572 2.569 -1.526) 3.376 2.221 ( 1.456 -4.156 6.366) 7.740 2.221 ( 1.456 4.156 6.366) 7.740 2.266 ( 4.181 -1.803 0.138) 4.556 2.266 ( 4.181 1.803 0.138) 4.556 2.437 ( 2.725 -1.158 -2.224) 3.703 2.437 ( 2.725 1.158 -2.224) 3.703 2.600 ( 3.007 -5.616 -4.216) 7.639 2.600 ( 3.007 5.616 -4.216) 7.639 2.646 ( 2.216 -2.420 -2.822) 4.328 2.646 ( 2.216 2.420 -2.822) 4.328 2.877 ( -7.514 -5.300 5.247) 10.587 2.877 ( -7.514 5.300 5.247) 10.587 3.043 ( 4.527 -3.081 0.810) 5.536 3.043 ( 4.527 3.081 0.810) 5.536 3.083 ( 4.563 -8.126 2.913) 9.764 3.083 ( 4.563 8.126 2.913) 9.764 3.236 ( -11.002 -7.986 16.249) 21.186 3.236 ( -11.002 7.986 16.249) 21.186 3.580 ( 1.411 -1.948 4.463) 5.070 3.580 ( 1.411 1.948 4.463) 5.070 3.889 ( 3.717 -4.989 2.022) 6.542 3.889 ( 3.717 4.989 2.022) 6.542 4.049 ( -2.756 -6.529 0.900) 7.143 4.049 ( -2.756 6.529 0.900) 7.144 4.300 ( 4.074 -2.924 -2.785) 5.736 4.300 ( 4.074 2.924 -2.785) 5.736 4.461 ( -0.339 -3.477 -5.064) 6.152 4.461 ( -0.339 3.477 -5.064) 6.152 4.526 ( -1.033 -7.346 -4.449) 8.650 4.526 ( -1.033 7.346 -4.449) 8.650 4.972 ( 1.669 -3.051 -2.976) 4.577 4.972 ( 1.669 3.051 -2.976) 4.577 5.031 ( -5.438 -2.129 0.483) 5.860 5.031 ( -5.438 2.129 0.483) 5.860 5.421 ( 0.366 -4.958 -3.299) 5.967 5.421 ( 0.366 4.958 -3.299) 5.967 5.616 ( 1.022 -7.584 -6.055) 9.758 5.616 ( 1.022 7.584 -6.055) 9.758 6.157 ( -1.565 -2.137 1.631) 3.111 6.157 ( -1.565 2.137 1.631) 3.111 6.677 ( -2.466 -2.787 2.089) 4.268 6.677 ( -2.466 2.787 2.089) 4.268 6.789 ( 3.250 -1.625 -1.118) 3.802 6.789 ( 3.250 1.625 -1.118) 3.802 7.096 ( 0.027 -5.892 -1.547) 6.091 7.096 ( 0.027 5.892 -1.547) 6.091 7.469 ( -1.366 -2.781 2.898) 4.243 7.469 ( -1.366 2.781 2.898) 4.243 7.728 ( -0.224 -2.649 -4.169) 4.945 7.728 ( -0.224 2.649 -4.169) 4.945 7.794 ( -1.938 -4.503 1.269) 5.064 7.794 ( -1.938 4.503 1.269) 5.064 8.082 ( -0.764 -2.032 -1.914) 2.894 8.082 ( -0.764 2.032 -1.914) 2.894 8.336 ( 2.838 -5.856 1.448) 6.667 8.336 ( 2.838 5.856 1.448) 6.667 8.530 ( -2.926 -11.674 3.268) 12.471 8.530 ( -2.926 11.674 3.268) 12.471 8.695 ( -1.804 -6.309 0.868) 6.619 8.695 ( -1.804 6.309 0.868) 6.619 9.068 ( 4.271 -6.450 -4.179) 8.793 9.068 ( 4.271 6.450 -4.179) 8.793 9.395 ( -3.006 -10.465 -2.403) 11.150 9.395 ( -3.006 10.465 -2.403) 11.150 9.544 ( -2.740 -3.878 -0.575) 4.783 9.544 ( -2.740 3.878 -0.575) 4.783 9.742 ( 0.807 -1.361 1.313) 2.056 9.742 ( 0.807 1.361 1.313) 2.056 10.009 ( 0.540 -3.317 0.109) 3.363 10.009 ( 0.540 3.317 0.109) 3.363 10.198 ( 3.293 -2.979 2.258) 4.981 10.198 ( 3.293 2.979 2.258) 4.981 10.986 ( -0.271 -11.325 16.643) 20.132 10.986 ( -0.271 11.325 16.643) 20.132 11.304 ( -12.455 -20.867 1.585) 24.353 11.304 ( -12.455 20.867 1.585) 24.353 11.882 ( 0.108 -1.821 -0.819) 2.000 11.882 ( 0.108 1.821 -0.819) 2.000 12.122 ( 1.029 -0.846 -0.912) 1.614 12.122 ( 1.029 0.846 -0.912) 1.614 12.206 ( 0.239 -0.468 -3.510) 3.549 12.206 ( 0.239 0.468 -3.510) 3.549 12.592 ( 1.145 -3.063 -3.749) 4.975 12.592 ( 1.145 3.063 -3.749) 4.975 12.903 ( 0.575 -3.072 3.592) 4.761 12.903 ( 0.575 3.072 3.592) 4.761 13.413 ( 1.730 -3.902 -6.144) 7.481 13.413 ( 1.730 3.902 -6.144) 7.481 13.726 ( -0.696 -10.172 2.186) 10.427 13.726 ( -0.696 10.172 2.186) 10.427 14.437 ( 6.462 -14.066 -0.836) 15.502 14.437 ( 6.462 14.066 -0.836) 15.502 15.947 ( -0.859 -1.132 -3.125) 3.433 15.947 ( -0.859 1.132 -3.125) 3.433 16.244 ( 5.471 -8.074 -4.125) 10.589 16.244 ( 5.471 8.074 -4.125) 10.589 ======================= Grid point 122 (68/96) ======================= q-point: (-0.22 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -10.209 -8.809 9.144) 16.292 1.180 ( -10.209 8.809 9.144) 16.292 1.405 ( -11.698 -6.814 12.877) 18.683 1.405 ( -11.698 6.814 12.877) 18.683 1.720 ( -7.040 -2.515 4.642) 8.800 1.720 ( -7.040 2.515 4.642) 8.800 1.957 ( -1.274 -2.219 2.384) 3.497 1.957 ( -1.274 2.219 2.384) 3.497 2.070 ( -1.313 -1.143 3.584) 3.984 2.070 ( -1.313 1.143 3.584) 3.984 2.090 ( 2.623 -1.473 4.155) 5.129 2.090 ( 2.623 1.473 4.155) 5.129 2.264 ( -0.790 -3.514 8.241) 8.993 2.264 ( -0.790 3.514 8.241) 8.993 2.335 ( 2.217 -3.243 -1.354) 4.155 2.335 ( 2.217 3.243 -1.354) 4.155 2.455 ( 1.229 -0.466 -3.607) 3.839 2.455 ( 1.229 0.466 -3.607) 3.839 2.582 ( -1.741 -3.218 -1.668) 4.021 2.582 ( -1.741 3.218 -1.668) 4.021 2.676 ( 3.025 -5.230 -1.796) 6.303 2.676 ( 3.025 5.230 -1.796) 6.303 2.854 ( 3.779 -1.386 4.609) 6.119 2.854 ( 3.779 1.386 4.609) 6.119 3.073 ( 0.970 -5.606 4.734) 7.401 3.073 ( 0.970 5.606 4.734) 7.401 3.168 ( -4.286 -2.569 14.508) 15.344 3.168 ( -4.286 2.569 14.508) 15.344 3.293 ( 8.926 -4.610 -0.342) 10.052 3.293 ( 8.926 4.610 -0.342) 10.052 3.615 ( -1.738 -3.680 5.765) 7.057 3.615 ( -1.738 3.680 5.765) 7.057 3.936 ( -0.238 -1.224 3.441) 3.660 3.936 ( -0.238 1.224 3.441) 3.660 4.031 ( 0.939 -4.538 -1.662) 4.923 4.031 ( 0.939 4.538 -1.662) 4.923 4.306 ( -0.798 -4.505 -4.706) 6.563 4.306 ( -0.798 4.505 -4.706) 6.563 4.418 ( 0.654 -5.470 -4.999) 7.439 4.418 ( 0.654 5.470 -4.999) 7.439 4.514 ( 0.101 -6.101 -0.181) 6.105 4.514 ( 0.101 6.101 -0.181) 6.105 4.951 ( -4.762 -3.957 -1.035) 6.277 4.951 ( -4.762 3.957 -1.035) 6.277 5.002 ( 3.205 -2.570 7.860) 8.869 5.002 ( 3.205 2.570 7.860) 8.869 5.433 ( 3.174 -2.335 -4.764) 6.183 5.433 ( 3.174 2.335 -4.764) 6.183 5.596 ( 0.601 -7.248 -7.496) 10.444 5.596 ( 0.601 7.248 -7.496) 10.444 6.126 ( -1.731 -1.561 1.075) 2.567 6.126 ( -1.731 1.561 1.075) 2.567 6.613 ( -6.084 -2.390 1.532) 6.714 6.613 ( -6.084 2.390 1.532) 6.714 6.838 ( 2.497 -1.156 -0.716) 2.843 6.838 ( 2.497 1.156 -0.716) 2.843 7.071 ( -0.369 -6.490 -5.434) 8.473 7.071 ( -0.369 6.490 -5.434) 8.473 7.448 ( -1.942 -1.209 2.126) 3.123 7.448 ( -1.942 1.209 2.126) 3.123 7.664 ( -3.869 -1.218 -3.492) 5.353 7.664 ( -3.869 1.218 -3.492) 5.353 7.804 ( 0.218 -6.015 2.153) 6.392 7.804 ( 0.218 6.015 2.153) 6.392 8.088 ( 1.198 -0.520 0.831) 1.548 8.088 ( 1.198 0.520 0.831) 1.548 8.272 ( -7.138 -16.863 -0.478) 18.318 8.272 ( -7.138 16.863 -0.478) 18.318 8.515 ( -3.523 -8.880 4.946) 10.758 8.515 ( -3.523 8.880 4.946) 10.758 8.733 ( 3.688 -4.582 5.670) 8.170 8.733 ( 3.688 4.582 5.670) 8.170 9.084 ( -0.976 -11.133 3.312) 11.656 9.084 ( -0.976 11.133 3.312) 11.656 9.389 ( 3.809 -8.723 -4.221) 10.412 9.389 ( 3.809 8.723 -4.221) 10.412 9.502 ( -0.888 -3.989 -2.229) 4.655 9.502 ( -0.888 3.989 -2.229) 4.655 9.781 ( 2.561 -3.250 2.359) 4.763 9.781 ( 2.561 3.250 2.359) 4.763 10.042 ( 2.367 -5.426 1.725) 6.166 10.042 ( 2.367 5.426 1.725) 6.166 10.275 ( 3.152 -2.173 3.040) 4.888 10.275 ( 3.152 2.173 3.040) 4.888 11.011 ( -9.830 -5.901 13.031) 17.357 11.011 ( -9.830 5.901 13.031) 17.357 11.143 ( -3.635 -11.627 8.271) 14.724 11.143 ( -3.635 11.627 8.271) 14.724 11.859 ( -1.721 -1.386 -1.929) 2.933 11.859 ( -1.721 1.386 -1.929) 2.933 12.112 ( -0.212 -1.944 -6.348) 6.643 12.112 ( -0.212 1.944 -6.348) 6.643 12.182 ( -0.950 -1.705 -0.138) 1.956 12.182 ( -0.950 1.705 -0.138) 1.956 12.600 ( 1.357 -2.743 -1.738) 3.519 12.600 ( 1.357 2.743 -1.738) 3.519 12.933 ( 0.501 -2.565 3.203) 4.134 12.933 ( 0.501 2.565 3.203) 4.134 13.404 ( 0.956 -5.343 -6.261) 8.286 13.404 ( 0.956 5.343 -6.261) 8.286 13.737 ( 0.353 -11.443 3.020) 11.840 13.737 ( 0.353 11.443 3.020) 11.840 14.562 ( 7.622 -16.008 -3.781) 18.129 14.562 ( 7.622 16.008 -3.781) 18.129 15.909 ( -1.128 -2.129 -2.240) 3.290 15.909 ( -1.128 2.129 -2.240) 3.290 16.340 ( 7.576 -12.599 -7.311) 16.419 16.340 ( 7.576 12.599 -7.311) 16.419 ======================= Grid point 124 (69/96) ======================= q-point: (-0.11 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.102 ( -4.208 -6.458 10.416) 12.958 1.102 ( -4.208 6.458 10.416) 12.958 1.291 ( -7.977 -5.046 12.518) 15.678 1.291 ( -7.977 5.046 12.518) 15.678 1.626 ( -6.475 -1.515 10.650) 12.556 1.626 ( -6.475 1.515 10.650) 12.556 1.903 ( -3.623 -1.556 -0.611) 3.990 1.903 ( -3.623 1.556 -0.611) 3.990 2.087 ( -0.119 -1.312 5.654) 5.805 2.087 ( -0.119 1.312 5.654) 5.805 2.140 ( -0.759 -1.256 3.792) 4.066 2.140 ( -0.759 1.256 3.792) 4.066 2.278 ( -3.342 -3.647 7.812) 9.246 2.278 ( -3.342 3.647 7.812) 9.246 2.333 ( 1.374 -2.004 -0.705) 2.530 2.333 ( 1.374 2.004 -0.705) 2.530 2.479 ( 3.654 -2.333 -3.039) 5.294 2.479 ( 3.654 2.333 -3.039) 5.294 2.609 ( 3.456 -1.858 -0.869) 4.019 2.609 ( 3.456 1.858 -0.869) 4.019 2.728 ( 2.832 -2.800 1.162) 4.148 2.728 ( 2.832 2.800 1.162) 4.148 2.980 ( 3.727 -4.004 8.838) 10.394 2.980 ( 3.727 4.004 8.838) 10.394 3.119 ( -0.180 -2.755 9.735) 10.119 3.119 ( -0.180 2.755 9.735) 10.119 3.220 ( 4.535 -3.041 2.885) 6.176 3.220 ( 4.535 3.041 2.885) 6.176 3.372 ( -1.160 -6.262 -1.161) 6.473 3.372 ( -1.160 6.262 -1.161) 6.473 3.545 ( -6.818 -5.254 3.108) 9.151 3.545 ( -6.818 5.254 3.108) 9.151 3.953 ( -1.067 -4.983 4.243) 6.631 3.953 ( -1.067 4.983 4.243) 6.631 4.034 ( 1.413 -4.886 -3.222) 6.021 4.034 ( 1.413 4.886 -3.222) 6.021 4.296 ( 1.373 -5.738 -1.183) 6.018 4.296 ( 1.373 5.738 -1.183) 6.018 4.372 ( -1.718 -1.309 -5.100) 5.538 4.372 ( -1.718 1.309 -5.100) 5.538 4.559 ( 4.477 -1.376 -0.717) 4.738 4.559 ( 4.477 1.376 -0.717) 4.738 4.835 ( -6.648 -3.691 -0.753) 7.642 4.835 ( -6.648 3.691 -0.753) 7.642 5.222 ( 12.740 -4.516 13.180) 18.879 5.222 ( 12.740 4.516 13.180) 18.879 5.476 ( 4.331 -4.398 -6.187) 8.739 5.476 ( 4.331 4.398 -6.187) 8.739 5.560 ( 1.653 -4.960 -7.458) 9.108 5.560 ( 1.653 4.960 -7.458) 9.108 6.127 ( 0.061 -3.731 3.904) 5.401 6.127 ( 0.061 3.731 3.904) 5.401 6.475 ( -8.069 -1.762 0.529) 8.276 6.475 ( -8.069 1.762 0.529) 8.276 6.872 ( 1.804 -1.652 -1.446) 2.842 6.872 ( 1.804 1.652 -1.446) 2.842 7.031 ( 0.100 -6.038 -8.401) 10.346 7.031 ( 0.100 6.038 -8.401) 10.346 7.390 ( -8.417 -4.508 1.156) 9.618 7.390 ( -8.417 4.508 1.156) 9.618 7.540 ( -7.737 -2.992 4.741) 9.555 7.540 ( -7.737 2.992 4.741) 9.555 7.796 ( -1.454 -4.832 -0.123) 5.048 7.796 ( -1.454 4.832 -0.123) 5.048 8.095 ( -0.633 -4.517 -1.876) 4.932 8.095 ( -0.633 4.517 -1.876) 4.932 8.180 ( -2.604 -11.848 3.344) 12.583 8.180 ( -2.604 11.848 3.344) 12.583 8.490 ( -0.569 -11.293 6.815) 13.202 8.490 ( -0.569 11.293 6.815) 13.202 8.811 ( 0.674 -2.941 6.599) 7.257 8.811 ( 0.674 2.941 6.599) 7.257 9.131 ( 2.465 -9.364 5.945) 11.362 9.131 ( 2.465 9.364 5.945) 11.362 9.437 ( 3.329 -3.755 -3.895) 6.353 9.437 ( 3.329 3.755 -3.895) 6.353 9.517 ( 3.558 -1.803 0.870) 4.082 9.517 ( 3.558 1.803 0.870) 4.082 9.851 ( 2.956 -7.373 2.157) 8.231 9.851 ( 2.956 7.373 2.157) 8.231 10.105 ( 2.053 -6.810 4.543) 8.439 10.105 ( 2.053 6.810 4.543) 8.439 10.345 ( 3.414 -2.281 1.477) 4.363 10.345 ( 3.414 2.281 1.477) 4.363 10.864 ( -10.308 -11.467 12.473) 19.832 10.864 ( -10.308 11.467 12.473) 19.832 11.165 ( -3.163 -9.363 12.475) 15.916 11.165 ( -3.163 9.363 12.475) 15.916 11.800 ( -2.710 -2.979 -4.271) 5.870 11.800 ( -2.710 2.979 -4.271) 5.870 12.062 ( -0.692 -1.924 -5.818) 6.167 12.062 ( -0.692 1.924 -5.818) 6.167 12.184 ( 0.998 -1.228 0.293) 1.609 12.184 ( 0.998 1.228 0.293) 1.609 12.620 ( 1.292 -2.355 -0.532) 2.738 12.620 ( 1.292 2.355 -0.532) 2.738 12.954 ( -0.031 -2.826 2.832) 4.001 12.954 ( -0.031 2.826 2.832) 4.001 13.383 ( 0.666 -6.166 -6.388) 8.904 13.383 ( 0.666 6.166 -6.388) 8.904 13.767 ( 0.726 -12.805 3.958) 13.423 13.767 ( 0.726 12.805 3.958) 13.423 14.641 ( 3.455 -15.646 -7.929) 17.878 14.641 ( 3.455 15.646 -7.929) 17.878 15.901 ( 1.226 -2.624 0.016) 2.896 15.901 ( 1.226 2.624 0.016) 2.896 16.416 ( 5.521 -14.506 -12.150) 19.711 16.416 ( 5.521 14.506 -12.150) 19.711 ======================= Grid point 135 (70/96) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -2.734 0.000 14.715) 14.967 1.277 ( 2.041 0.000 8.746) 8.981 1.476 ( 0.770 0.000 -3.038) 3.134 1.497 ( -0.754 0.000 -0.821) 1.115 1.795 ( -0.611 0.000 0.341) 0.700 1.816 ( -0.539 0.000 12.376) 12.388 1.879 ( -1.924 0.000 -6.449) 6.730 1.939 ( -4.885 0.000 4.961) 6.962 2.036 ( -0.867 0.000 -0.036) 0.868 2.133 ( 3.888 0.000 -6.200) 7.318 2.157 ( -0.078 0.000 9.378) 9.378 2.263 ( -2.067 0.000 3.965) 4.472 2.299 ( -1.005 0.000 4.867) 4.969 2.353 ( 3.934 0.000 -0.019) 3.934 2.356 ( -4.221 0.000 -0.156) 4.224 2.413 ( 3.270 0.000 -6.822) 7.565 2.526 ( 7.249 0.000 1.188) 7.346 2.541 ( -2.453 0.000 0.896) 2.612 2.594 ( -4.999 0.000 0.340) 5.011 2.615 ( 0.329 0.000 0.645) 0.724 2.843 ( 1.446 0.000 2.621) 2.993 2.885 ( -2.041 0.000 -3.080) 3.694 2.900 ( -0.642 0.000 6.162) 6.195 3.021 ( 4.055 0.000 -4.109) 5.773 3.245 ( -4.258 0.000 2.428) 4.902 3.327 ( 5.163 0.000 -4.318) 6.730 3.389 ( -8.842 0.000 3.234) 9.415 3.410 ( 7.172 0.000 0.155) 7.173 3.534 ( 1.254 0.000 7.964) 8.062 3.609 ( -0.146 0.000 -1.325) 1.333 3.636 ( -6.530 0.000 13.509) 15.005 3.692 ( -1.633 0.000 7.643) 7.815 3.783 ( -0.748 0.000 -6.813) 6.854 3.969 ( 7.367 0.000 -8.908) 11.560 4.027 ( -4.591 0.000 13.308) 14.078 4.129 ( -7.622 0.000 8.582) 11.478 4.156 ( -2.301 0.000 6.985) 7.354 4.300 ( -2.132 0.000 -10.533) 10.746 4.304 ( 6.796 0.000 0.391) 6.807 4.367 ( 3.920 0.000 -10.340) 11.058 4.563 ( 0.637 0.000 6.218) 6.251 4.623 ( 3.873 0.000 -1.914) 4.320 4.636 ( -2.071 0.000 -2.390) 3.162 4.742 ( -1.479 0.000 0.976) 1.772 5.231 ( 1.771 0.000 -11.149) 11.289 5.237 ( 1.649 0.000 -5.206) 5.461 5.267 ( -4.047 0.000 -3.130) 5.116 5.308 ( 2.457 0.000 -7.261) 7.665 5.837 ( 0.875 0.000 3.471) 3.579 5.856 ( 7.301 0.000 1.082) 7.381 6.290 ( 6.527 0.000 6.015) 8.876 6.346 ( 6.080 0.000 7.007) 9.277 6.365 ( -1.576 0.000 2.552) 2.999 6.475 ( -4.164 0.000 0.040) 4.164 6.622 ( 2.151 0.000 -3.122) 3.791 6.706 ( -5.495 0.000 -11.814) 13.030 6.870 ( 7.358 0.000 0.489) 7.375 6.900 ( -6.139 0.000 -2.074) 6.480 7.206 ( -7.567 0.000 13.796) 15.735 7.365 ( -0.886 0.000 -1.033) 1.361 7.563 ( 2.107 0.000 1.566) 2.626 7.606 ( -5.302 0.000 3.149) 6.167 7.684 ( -0.559 0.000 -2.038) 2.114 7.723 ( -0.432 0.000 -3.642) 3.668 7.841 ( 0.975 0.000 -0.907) 1.332 7.901 ( 4.991 0.000 -3.434) 6.058 8.411 ( -2.893 0.000 12.532) 12.862 8.513 ( -2.292 0.000 1.143) 2.561 8.513 ( 0.888 0.000 1.005) 1.341 8.674 ( 4.104 0.000 -9.798) 10.623 8.980 ( -0.410 0.000 2.847) 2.877 9.003 ( 3.949 0.000 0.324) 3.962 9.033 ( 0.197 0.000 3.421) 3.426 9.070 ( 0.736 0.000 -1.985) 2.117 9.351 ( -4.602 0.000 5.210) 6.952 9.446 ( 0.071 0.000 3.399) 3.400 9.527 ( 5.040 0.000 -4.106) 6.501 9.597 ( -3.492 0.000 -4.479) 5.679 10.084 ( 3.575 0.000 0.031) 3.575 10.094 ( -3.499 0.000 -1.333) 3.744 10.196 ( 7.456 0.000 3.964) 8.445 10.246 ( -7.048 0.000 -1.125) 7.137 10.383 ( -6.291 0.000 4.531) 7.753 10.503 ( 8.891 0.000 -6.271) 10.880 11.122 ( 4.123 0.000 12.911) 13.554 11.148 ( -8.829 0.000 13.682) 16.283 11.451 ( 1.058 0.000 5.168) 5.275 11.499 ( -5.911 0.000 1.995) 6.238 11.546 ( 1.226 0.000 -11.547) 11.612 11.794 ( 1.598 0.000 -12.909) 13.008 12.047 ( 1.301 0.000 0.585) 1.426 12.080 ( -0.195 0.000 -1.402) 1.416 12.466 ( 2.968 0.000 7.520) 8.084 12.601 ( 4.130 0.000 3.004) 5.107 12.602 ( -2.271 0.000 -4.622) 5.150 12.647 ( -3.084 0.000 -1.487) 3.423 12.959 ( -0.506 0.000 3.930) 3.962 13.060 ( 1.564 0.000 -5.051) 5.287 13.201 ( 0.133 0.000 0.867) 0.878 13.214 ( -1.409 0.000 -0.189) 1.421 13.325 ( -1.399 0.000 4.302) 4.524 13.460 ( 2.001 0.000 -7.594) 7.853 14.464 ( 0.380 0.000 8.508) 8.517 14.660 ( -1.772 0.000 -9.541) 9.704 15.853 ( -2.663 0.000 0.766) 2.770 15.886 ( 4.557 0.000 -2.324) 5.115 16.128 ( 2.450 0.000 7.675) 8.057 16.338 ( -1.494 0.000 -11.846) 11.940 ======================= Grid point 136 (71/96) ======================= q-point: ( 0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 2.824 0.000 10.875) 11.235 1.396 ( 6.855 0.000 -0.383) 6.866 1.532 ( 5.322 0.000 3.787) 6.532 1.540 ( 5.722 0.000 -2.065) 6.083 1.793 ( -0.101 0.000 4.121) 4.122 1.803 ( -1.625 0.000 -5.351) 5.593 1.890 ( 0.514 0.000 11.826) 11.837 1.898 ( -2.173 0.000 4.056) 4.602 2.015 ( 0.862 0.000 -2.475) 2.621 2.160 ( 0.267 0.000 -2.418) 2.432 2.226 ( 0.821 0.000 8.506) 8.546 2.252 ( -1.719 0.000 4.011) 4.364 2.270 ( -1.539 0.000 -1.513) 2.158 2.285 ( -2.824 0.000 3.791) 4.727 2.355 ( -2.793 0.000 -10.380) 10.749 2.409 ( 1.077 0.000 -0.258) 1.108 2.425 ( -5.429 0.000 -4.293) 6.921 2.527 ( -2.973 0.000 1.333) 3.258 2.606 ( -0.964 0.000 3.259) 3.399 2.685 ( -5.856 0.000 -0.076) 5.856 2.827 ( -3.738 0.000 -1.771) 4.137 2.828 ( 5.699 0.000 3.033) 6.456 2.979 ( 3.678 0.000 2.598) 4.503 3.019 ( 1.061 0.000 -5.679) 5.777 3.109 ( -11.473 0.000 0.334) 11.478 3.275 ( -3.653 0.000 4.875) 6.092 3.364 ( 3.710 0.000 -1.537) 4.016 3.481 ( -5.391 0.000 -3.635) 6.502 3.598 ( -4.974 0.000 11.490) 12.521 3.618 ( 1.740 0.000 8.871) 9.040 3.618 ( 5.062 0.000 -2.755) 5.763 3.746 ( 1.699 0.000 8.108) 8.285 3.827 ( 7.262 0.000 -4.338) 8.459 3.972 ( -7.090 0.000 13.895) 15.599 4.003 ( -1.609 0.000 -2.586) 3.045 4.072 ( -5.314 0.000 11.510) 12.677 4.089 ( 0.098 0.000 -9.349) 9.350 4.251 ( -0.769 0.000 -1.384) 1.583 4.379 ( 2.114 0.000 -5.214) 5.626 4.412 ( 5.942 0.000 -8.917) 10.715 4.567 ( -2.063 0.000 -0.011) 2.063 4.646 ( 1.191 0.000 8.271) 8.356 4.678 ( 2.938 0.000 -2.365) 3.772 4.728 ( 0.518 0.000 -3.258) 3.299 5.190 ( -0.787 0.000 -3.319) 3.411 5.210 ( 0.424 0.000 -6.813) 6.826 5.230 ( 1.266 0.000 -4.117) 4.307 5.377 ( 6.238 0.000 -2.092) 6.579 5.767 ( -4.020 0.000 -2.257) 4.611 5.839 ( -6.709 0.000 -7.181) 9.827 6.324 ( -9.505 0.000 -8.204) 12.556 6.390 ( 6.967 0.000 2.610) 7.439 6.484 ( 1.372 0.000 -5.930) 6.087 6.505 ( 3.494 0.000 -1.622) 3.852 6.598 ( 7.000 0.000 2.267) 7.358 6.684 ( 4.223 0.000 3.293) 5.355 6.771 ( -5.587 0.000 -0.599) 5.619 7.012 ( 5.078 0.000 -0.379) 5.092 7.247 ( 3.382 0.000 14.292) 14.686 7.363 ( -0.176 0.000 3.346) 3.351 7.524 ( -2.685 0.000 1.976) 3.334 7.617 ( 2.211 0.000 5.298) 5.741 7.711 ( 1.469 0.000 -3.468) 3.766 7.718 ( 2.118 0.000 1.557) 2.629 7.899 ( 7.093 0.000 -4.317) 8.304 7.995 ( 6.925 0.000 -5.927) 9.115 8.410 ( -5.383 0.000 9.875) 11.247 8.492 ( -2.901 0.000 -0.829) 3.018 8.504 ( 1.267 0.000 3.951) 4.149 8.698 ( 4.254 0.000 -10.183) 11.036 8.944 ( -3.321 0.000 -2.622) 4.231 8.977 ( -6.504 0.000 -1.285) 6.629 9.038 ( -1.407 0.000 2.880) 3.206 9.091 ( 2.655 0.000 -1.707) 3.156 9.329 ( -1.810 0.000 3.637) 4.063 9.466 ( 0.323 0.000 1.239) 1.281 9.499 ( -3.335 0.000 -3.446) 4.796 9.575 ( 1.288 0.000 0.176) 1.300 10.002 ( -5.181 0.000 -0.469) 5.202 10.094 ( -6.362 0.000 -3.060) 7.060 10.115 ( -1.052 0.000 -0.472) 1.153 10.198 ( -9.449 0.000 5.921) 11.151 10.388 ( 5.053 0.000 -1.318) 5.222 10.587 ( 3.171 0.000 -6.443) 7.181 11.061 ( -5.881 0.000 8.661) 10.469 11.267 ( 3.212 0.000 15.793) 16.116 11.410 ( -6.626 0.000 7.808) 10.241 11.526 ( 2.977 0.000 7.275) 7.861 11.533 ( 4.318 0.000 -12.801) 13.510 11.753 ( 1.137 0.000 -10.290) 10.353 12.076 ( 0.559 0.000 -1.772) 1.858 12.082 ( 2.051 0.000 0.105) 2.053 12.496 ( -4.810 0.000 -4.670) 6.704 12.518 ( -1.335 0.000 5.856) 6.006 12.577 ( -3.238 0.000 -5.334) 6.240 12.672 ( 1.416 0.000 2.658) 3.012 12.981 ( 0.544 0.000 3.235) 3.281 13.072 ( 2.687 0.000 -5.129) 5.790 13.192 ( -0.891 0.000 0.408) 0.981 13.220 ( 0.864 0.000 1.561) 1.784 13.322 ( -1.482 0.000 4.467) 4.707 13.466 ( 2.970 0.000 -7.090) 7.687 14.510 ( -1.013 0.000 9.568) 9.622 14.570 ( -2.440 0.000 -7.808) 8.180 15.808 ( -2.157 0.000 -0.000) 2.157 15.951 ( 3.954 0.000 -3.786) 5.474 16.207 ( 1.342 0.000 6.998) 7.126 16.233 ( -2.726 0.000 -10.472) 10.821 ======================= Grid point 137 (72/96) ======================= q-point: ( 0.22 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 6.824 0.000 5.977) 9.072 1.498 ( 6.607 0.000 -6.810) 9.488 1.659 ( 7.629 0.000 -1.842) 7.848 1.698 ( 7.236 0.000 10.343) 12.623 1.793 ( 4.550 0.000 -7.658) 8.908 1.834 ( 1.195 0.000 7.025) 7.126 1.908 ( 1.108 0.000 4.124) 4.271 1.968 ( 2.739 0.000 5.688) 6.313 2.040 ( 2.447 0.000 -1.724) 2.993 2.085 ( -6.404 0.000 -1.375) 6.550 2.223 ( -2.156 0.000 0.835) 2.313 2.232 ( -3.031 0.000 2.695) 4.056 2.270 ( -1.969 0.000 3.944) 4.408 2.270 ( -1.907 0.000 -6.986) 7.241 2.299 ( -0.945 0.000 4.109) 4.216 2.353 ( 4.310 0.000 -2.232) 4.853 2.385 ( -2.982 0.000 -1.745) 3.455 2.450 ( -8.698 0.000 0.839) 8.738 2.518 ( -8.339 0.000 -0.429) 8.350 2.529 ( -4.525 0.000 2.444) 5.143 2.729 ( -4.588 0.000 -3.815) 5.967 2.856 ( -10.437 0.000 -1.501) 10.545 2.964 ( -3.198 0.000 1.415) 3.496 3.044 ( 4.470 0.000 2.146) 4.958 3.056 ( 3.777 0.000 -1.463) 4.050 3.301 ( 3.831 0.000 4.833) 6.167 3.305 ( -9.539 0.000 -4.084) 10.376 3.407 ( 0.290 0.000 -3.362) 3.374 3.544 ( -7.414 0.000 15.181) 16.895 3.654 ( 3.144 0.000 -7.444) 8.081 3.702 ( 1.899 0.000 6.696) 6.960 3.814 ( 1.880 0.000 0.470) 1.938 3.838 ( -6.536 0.000 2.661) 7.056 3.979 ( -2.116 0.000 15.372) 15.517 4.014 ( 5.786 0.000 -0.962) 5.865 4.020 ( -5.780 0.000 10.007) 11.557 4.091 ( 3.339 0.000 -10.641) 11.153 4.262 ( 4.011 0.000 -5.639) 6.920 4.336 ( -4.146 0.000 -0.532) 4.180 4.432 ( 2.332 0.000 -11.342) 11.579 4.528 ( -1.373 0.000 -1.104) 1.762 4.664 ( -0.735 0.000 -4.470) 4.530 4.706 ( -0.330 0.000 7.799) 7.806 4.781 ( 4.672 0.000 -0.593) 4.709 5.167 ( -1.475 0.000 0.893) 1.724 5.198 ( 0.290 0.000 -0.279) 0.402 5.253 ( 3.724 0.000 -3.948) 5.427 5.484 ( 6.524 0.000 -3.169) 7.253 5.638 ( -7.370 0.000 -13.444) 15.332 5.711 ( -0.371 0.000 -7.262) 7.272 6.098 ( -6.648 0.000 -10.172) 12.152 6.394 ( -4.407 0.000 -1.755) 4.743 6.440 ( -0.921 0.000 0.564) 1.080 6.644 ( 6.617 0.000 2.039) 6.924 6.682 ( 0.182 0.000 -1.233) 1.246 6.771 ( 6.367 0.000 1.350) 6.509 6.803 ( 3.740 0.000 7.035) 7.967 7.057 ( 0.769 0.000 -0.615) 0.985 7.390 ( 0.402 0.000 4.955) 4.972 7.392 ( 5.078 0.000 3.572) 6.208 7.526 ( 0.408 0.000 3.053) 3.081 7.694 ( 1.956 0.000 2.190) 2.936 7.763 ( 2.035 0.000 1.448) 2.498 7.772 ( 6.296 0.000 4.050) 7.486 8.043 ( 10.151 0.000 -4.266) 11.011 8.056 ( 3.432 0.000 -9.622) 10.216 8.329 ( -6.800 0.000 3.645) 7.715 8.410 ( -5.081 0.000 -0.260) 5.087 8.587 ( 4.283 0.000 5.882) 7.276 8.724 ( 3.822 0.000 -7.702) 8.598 8.796 ( -11.566 0.000 1.216) 11.629 8.843 ( -4.382 0.000 -6.194) 7.587 9.022 ( -1.777 0.000 2.820) 3.333 9.141 ( 4.191 0.000 -4.941) 6.479 9.220 ( -9.682 0.000 -0.388) 9.690 9.466 ( -0.135 0.000 -0.614) 0.629 9.505 ( 3.532 0.000 -0.065) 3.533 9.589 ( -0.463 0.000 3.615) 3.644 9.904 ( -5.042 0.000 -1.384) 5.229 9.978 ( -3.209 0.000 -3.691) 4.891 10.054 ( -8.078 0.000 5.271) 9.646 10.076 ( -2.612 0.000 -1.723) 3.129 10.423 ( -0.210 0.000 -3.822) 3.827 10.542 ( -4.072 0.000 -5.365) 6.735 11.044 ( -0.325 0.000 4.260) 4.272 11.348 ( -6.193 0.000 14.647) 15.903 11.412 ( 3.997 0.000 7.537) 8.531 11.536 ( 2.004 0.000 -6.948) 7.231 11.632 ( 4.036 0.000 7.373) 8.405 11.758 ( 5.050 0.000 -6.036) 7.869 12.076 ( 0.314 0.000 -1.691) 1.720 12.116 ( 1.467 0.000 -0.046) 1.468 12.377 ( -4.693 0.000 -8.162) 9.415 12.492 ( -3.868 0.000 3.645) 5.315 12.494 ( -1.662 0.000 -5.044) 5.311 12.668 ( -3.305 0.000 2.208) 3.975 13.008 ( 0.326 0.000 3.150) 3.167 13.100 ( 3.169 0.000 -5.214) 6.102 13.183 ( -0.466 0.000 0.567) 0.734 13.233 ( -0.224 0.000 -0.076) 0.237 13.328 ( -0.863 0.000 6.459) 6.516 13.492 ( 3.880 0.000 -6.946) 7.957 14.495 ( -1.411 0.000 -6.020) 6.183 14.526 ( -2.971 0.000 9.501) 9.955 15.781 ( -0.656 0.000 0.082) 0.661 15.986 ( 2.293 0.000 -4.749) 5.273 16.142 ( -1.382 0.000 -7.482) 7.609 16.246 ( -0.800 0.000 4.990) 5.054 ======================= Grid point 138 (73/96) ======================= q-point: ( 0.33 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 8.370 0.000 1.897) 8.582 1.583 ( 6.853 0.000 -6.522) 9.461 1.785 ( 4.782 0.000 1.699) 5.075 1.845 ( 6.061 0.000 -3.584) 7.041 1.897 ( 0.458 0.000 3.941) 3.967 1.903 ( 6.183 0.000 8.529) 10.534 1.960 ( -2.527 0.000 -0.251) 2.540 1.976 ( 3.390 0.000 -0.179) 3.395 2.036 ( 1.299 0.000 2.325) 2.663 2.045 ( -3.166 0.000 0.152) 3.170 2.142 ( -5.953 0.000 -3.153) 6.737 2.187 ( -1.081 0.000 0.399) 1.152 2.250 ( 2.364 0.000 0.686) 2.462 2.254 ( 0.331 0.000 -0.678) 0.754 2.267 ( -6.557 0.000 5.509) 8.564 2.313 ( -0.718 0.000 0.102) 0.725 2.323 ( -4.704 0.000 -1.743) 5.017 2.338 ( -7.401 0.000 -1.274) 7.510 2.482 ( 4.443 0.000 5.344) 6.950 2.500 ( -2.681 0.000 2.057) 3.379 2.625 ( -12.788 0.000 -1.049) 12.831 2.646 ( -0.158 0.000 -3.684) 3.688 2.884 ( -3.470 0.000 -2.292) 4.159 3.064 ( -6.186 0.000 -0.767) 6.234 3.108 ( -6.434 0.000 -5.931) 8.751 3.136 ( 3.690 0.000 3.174) 4.867 3.354 ( -0.687 0.000 -2.841) 2.923 3.423 ( 4.753 0.000 4.732) 6.707 3.516 ( -5.632 0.000 16.521) 17.455 3.681 ( -3.602 0.000 0.171) 3.606 3.736 ( -1.209 0.000 -2.419) 2.705 3.754 ( 3.618 0.000 -5.209) 6.342 3.772 ( -4.773 0.000 0.917) 4.860 3.966 ( -4.312 0.000 14.413) 15.044 4.027 ( -5.372 0.000 -3.600) 6.467 4.064 ( 1.836 0.000 6.269) 6.532 4.110 ( 4.588 0.000 -3.334) 5.671 4.255 ( -4.745 0.000 3.179) 5.711 4.306 ( 4.591 0.000 -11.747) 12.612 4.424 ( 3.704 0.000 -10.468) 11.104 4.533 ( 1.608 0.000 4.809) 5.071 4.638 ( 0.897 0.000 -4.328) 4.420 4.700 ( -4.695 0.000 5.999) 7.618 4.839 ( 2.061 0.000 -2.401) 3.164 5.155 ( 0.101 0.000 0.632) 0.640 5.211 ( -0.061 0.000 3.535) 3.535 5.306 ( 3.150 0.000 -2.734) 4.171 5.436 ( -5.602 0.000 -14.989) 16.002 5.576 ( 4.786 0.000 -3.645) 6.016 5.629 ( -0.754 0.000 -15.144) 15.162 6.039 ( 1.851 0.000 1.732) 2.535 6.319 ( -1.805 0.000 -2.794) 3.326 6.461 ( 1.754 0.000 3.107) 3.568 6.608 ( -3.365 0.000 3.557) 4.896 6.820 ( 5.563 0.000 0.462) 5.582 6.850 ( 2.488 0.000 -0.107) 2.490 6.904 ( 3.327 0.000 5.775) 6.665 7.052 ( -0.184 0.000 -1.228) 1.242 7.418 ( -0.534 0.000 5.225) 5.252 7.475 ( 3.676 0.000 -0.740) 3.750 7.543 ( -0.585 0.000 2.607) 2.672 7.709 ( -0.604 0.000 -1.006) 1.174 7.809 ( 2.047 0.000 0.710) 2.166 7.907 ( 3.049 0.000 0.318) 3.066 8.030 ( 1.438 0.000 -7.168) 7.311 8.190 ( 1.685 0.000 0.743) 1.842 8.212 ( -1.375 0.000 -2.579) 2.923 8.322 ( -3.485 0.000 -1.203) 3.687 8.579 ( -10.546 0.000 3.548) 11.127 8.719 ( -2.994 0.000 -7.921) 8.468 8.743 ( 6.721 0.000 5.840) 8.904 8.766 ( 2.219 0.000 -2.808) 3.579 8.979 ( -6.300 0.000 0.198) 6.303 9.078 ( -2.471 0.000 3.902) 4.619 9.177 ( 3.647 0.000 -9.155) 9.855 9.458 ( -1.233 0.000 -0.347) 1.281 9.571 ( 2.978 0.000 1.124) 3.183 9.615 ( 1.490 0.000 3.701) 3.989 9.807 ( -3.522 0.000 -2.421) 4.274 9.924 ( -2.620 0.000 -0.223) 2.629 9.966 ( -4.720 0.000 4.517) 6.533 10.024 ( 0.397 0.000 -6.716) 6.727 10.357 ( -4.036 0.000 -3.540) 5.369 10.407 ( -7.031 0.000 -3.246) 7.744 11.051 ( -1.400 0.000 1.837) 2.310 11.362 ( -2.218 0.000 19.371) 19.497 11.381 ( -3.347 0.000 -11.643) 12.114 11.634 ( 4.878 0.000 10.605) 11.673 11.754 ( 5.089 0.000 5.997) 7.865 11.863 ( 8.869 0.000 -5.358) 10.362 12.068 ( -0.271 0.000 -1.102) 1.135 12.128 ( 0.152 0.000 -2.124) 2.130 12.242 ( -4.309 0.000 -7.614) 8.749 12.421 ( -5.526 0.000 1.681) 5.776 12.471 ( 1.897 0.000 -4.766) 5.130 12.589 ( -5.638 0.000 2.008) 5.985 13.023 ( -0.855 0.000 3.911) 4.003 13.126 ( 2.895 0.000 -5.965) 6.631 13.179 ( -0.183 0.000 -0.004) 0.183 13.214 ( -1.303 0.000 -0.547) 1.413 13.357 ( -0.293 0.000 7.257) 7.263 13.528 ( 4.015 0.000 -7.102) 8.158 14.460 ( 0.881 0.000 -4.487) 4.573 14.502 ( -4.699 0.000 8.125) 9.386 15.786 ( 0.837 0.000 0.939) 1.258 15.983 ( 0.382 0.000 -5.161) 5.175 16.108 ( 1.230 0.000 -4.266) 4.440 16.234 ( -2.442 0.000 2.359) 3.395 ======================= Grid point 139 (74/96) ======================= q-point: ( 0.44 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 6.851 0.000 -4.496) 8.195 1.700 ( 6.771 0.000 1.016) 6.847 1.742 ( -6.383 0.000 3.178) 7.131 1.906 ( -9.517 0.000 1.607) 9.652 1.944 ( -2.309 0.000 0.228) 2.320 1.947 ( 4.661 0.000 -3.928) 6.096 1.960 ( 4.298 0.000 -3.211) 5.365 2.009 ( -1.270 0.000 1.760) 2.170 2.025 ( 0.986 0.000 5.413) 5.502 2.039 ( 1.273 0.000 7.978) 8.079 2.053 ( -3.360 0.000 5.265) 6.245 2.182 ( -1.822 0.000 -1.819) 2.575 2.212 ( -3.488 0.000 -1.471) 3.785 2.230 ( -1.381 0.000 -4.336) 4.551 2.261 ( -3.900 0.000 0.427) 3.923 2.281 ( 1.079 0.000 0.358) 1.137 2.305 ( 4.467 0.000 -4.182) 6.119 2.326 ( 0.329 0.000 6.166) 6.175 2.386 ( -2.439 0.000 3.208) 4.030 2.523 ( 3.710 0.000 0.909) 3.820 2.600 ( 5.242 0.000 2.669) 5.882 2.660 ( -0.371 0.000 -1.719) 1.759 2.785 ( -6.768 0.000 -0.264) 6.773 2.841 ( -11.446 0.000 -6.499) 13.162 3.037 ( 0.434 0.000 -0.273) 0.512 3.202 ( -0.328 0.000 -3.811) 3.825 3.401 ( 4.335 0.000 4.632) 6.344 3.431 ( -4.840 0.000 7.709) 9.103 3.535 ( -1.833 0.000 11.918) 12.058 3.574 ( -5.274 0.000 0.107) 5.275 3.658 ( -1.922 0.000 2.205) 2.925 3.734 ( -3.168 0.000 3.400) 4.647 3.824 ( 1.770 0.000 -8.262) 8.450 3.882 ( -4.221 0.000 -3.536) 5.506 3.987 ( -0.884 0.000 10.810) 10.846 4.127 ( 1.648 0.000 4.388) 4.688 4.170 ( 4.209 0.000 -3.964) 5.782 4.207 ( -1.865 0.000 3.014) 3.545 4.288 ( 0.014 0.000 -7.566) 7.566 4.421 ( 1.568 0.000 -12.785) 12.881 4.599 ( -9.311 0.000 6.439) 11.320 4.631 ( 4.552 0.000 6.621) 8.035 4.648 ( 2.975 0.000 -5.562) 6.308 4.850 ( 2.411 0.000 -6.087) 6.547 5.173 ( 0.744 0.000 1.166) 1.384 5.223 ( -0.898 0.000 2.560) 2.713 5.278 ( -3.990 0.000 -7.914) 8.863 5.315 ( 0.276 0.000 -4.855) 4.863 5.584 ( 3.232 0.000 -9.482) 10.018 5.611 ( 1.161 0.000 -4.819) 4.957 6.108 ( 1.813 0.000 6.529) 6.777 6.287 ( -0.544 0.000 -3.020) 3.069 6.522 ( 2.784 0.000 2.524) 3.758 6.590 ( 0.253 0.000 -0.279) 0.376 6.864 ( -1.361 0.000 3.587) 3.837 6.879 ( 1.028 0.000 -0.614) 1.198 6.977 ( 1.405 0.000 3.232) 3.524 7.060 ( 2.216 0.000 -1.924) 2.935 7.434 ( -0.756 0.000 6.348) 6.393 7.536 ( 3.922 0.000 -2.140) 4.468 7.539 ( -0.283 0.000 0.851) 0.897 7.652 ( -3.420 0.000 -4.949) 6.016 7.838 ( 0.646 0.000 0.295) 0.710 7.870 ( -2.270 0.000 -2.888) 3.673 8.053 ( 0.883 0.000 -3.845) 3.945 8.071 ( -5.255 0.000 -2.452) 5.799 8.302 ( 2.352 0.000 0.004) 2.352 8.310 ( 3.317 0.000 3.208) 4.614 8.439 ( -5.829 0.000 4.979) 7.666 8.608 ( -4.970 0.000 -4.533) 6.727 8.812 ( 4.083 0.000 -3.102) 5.128 8.838 ( -5.025 0.000 1.475) 5.237 8.894 ( 1.813 0.000 6.335) 6.590 9.160 ( 7.544 0.000 3.999) 8.538 9.172 ( 1.486 0.000 -11.102) 11.201 9.389 ( -5.044 0.000 -2.953) 5.844 9.627 ( 2.099 0.000 1.938) 2.857 9.665 ( 1.222 0.000 1.058) 1.616 9.778 ( 1.333 0.000 -0.024) 1.334 9.855 ( -4.515 0.000 0.196) 4.519 9.924 ( -2.133 0.000 3.867) 4.416 10.020 ( 2.099 0.000 -6.591) 6.917 10.259 ( -4.373 0.000 -1.040) 4.495 10.280 ( -4.066 0.000 -2.022) 4.541 11.028 ( -2.838 0.000 6.604) 7.188 11.240 ( -5.668 0.000 -6.986) 8.996 11.451 ( -0.197 0.000 18.749) 18.750 11.757 ( 3.823 0.000 3.103) 4.924 11.875 ( 4.990 0.000 2.003) 5.377 11.979 ( 5.699 0.000 -11.600) 12.924 12.058 ( -0.336 0.000 0.361) 0.493 12.102 ( 0.651 0.000 -2.818) 2.892 12.176 ( -0.133 0.000 0.901) 0.911 12.304 ( -7.417 0.000 0.500) 7.434 12.502 ( 4.113 0.000 -4.935) 6.424 12.505 ( -4.173 0.000 1.313) 4.374 13.021 ( -1.787 0.000 4.673) 5.003 13.137 ( 1.566 0.000 -5.954) 6.156 13.176 ( 0.055 0.000 -0.256) 0.262 13.192 ( -0.259 0.000 -0.750) 0.793 13.388 ( -0.822 0.000 7.006) 7.054 13.555 ( 3.085 0.000 -7.563) 8.168 14.447 ( -5.253 0.000 6.326) 8.223 14.482 ( 3.856 0.000 -3.517) 5.219 15.817 ( 1.516 0.000 2.088) 2.581 15.946 ( -1.253 0.000 -5.064) 5.216 16.138 ( 3.815 0.000 -2.338) 4.475 16.187 ( -3.171 0.000 0.013) 3.171 ======================= Grid point 140 (75/96) ======================= q-point: (-0.44 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.578 ( -10.615 0.000 4.807) 11.653 1.705 ( -11.148 0.000 1.256) 11.219 1.768 ( 1.630 0.000 1.201) 2.025 1.847 ( -1.193 0.000 4.752) 4.899 1.889 ( -1.509 0.000 1.280) 1.979 1.899 ( -0.197 0.000 0.332) 0.386 1.981 ( -4.648 0.000 3.602) 5.881 1.983 ( -0.535 0.000 -0.821) 0.979 2.070 ( 0.489 0.000 7.260) 7.277 2.087 ( -0.045 0.000 -1.896) 1.896 2.137 ( 2.594 0.000 3.162) 4.090 2.150 ( 1.125 0.000 3.916) 4.075 2.189 ( 1.752 0.000 -2.695) 3.214 2.191 ( -0.937 0.000 -4.294) 4.395 2.214 ( -0.616 0.000 0.695) 0.929 2.239 ( 1.332 0.000 2.963) 3.248 2.327 ( 3.655 0.000 -2.520) 4.440 2.395 ( 6.845 0.000 -1.618) 7.034 2.556 ( -6.273 0.000 -6.225) 8.838 2.561 ( 0.930 0.000 6.615) 6.680 2.581 ( -3.387 0.000 -8.575) 9.220 2.666 ( 7.610 0.000 -2.128) 7.902 2.699 ( 5.149 0.000 4.697) 6.970 2.751 ( 2.037 0.000 2.677) 3.364 3.040 ( -11.310 0.000 0.027) 11.310 3.107 ( 3.914 0.000 4.263) 5.787 3.390 ( -6.252 0.000 6.623) 9.108 3.517 ( 0.110 0.000 1.096) 1.101 3.546 ( 7.102 0.000 3.591) 7.958 3.556 ( -3.436 0.000 9.738) 10.326 3.678 ( -1.941 0.000 12.227) 12.380 3.684 ( -7.725 0.000 -1.350) 7.842 3.728 ( 3.587 0.000 0.833) 3.683 3.871 ( 1.010 0.000 -8.029) 8.092 4.043 ( 1.626 0.000 4.802) 5.070 4.146 ( -1.785 0.000 6.389) 6.634 4.204 ( 1.971 0.000 -7.121) 7.389 4.235 ( 1.019 0.000 3.092) 3.256 4.275 ( 2.409 0.000 -2.837) 3.722 4.341 ( -0.860 0.000 -14.204) 14.230 4.462 ( -8.398 0.000 9.434) 12.630 4.688 ( 3.276 0.000 -2.523) 4.135 4.739 ( 3.805 0.000 2.580) 4.597 4.858 ( 2.787 0.000 -10.757) 11.112 5.179 ( -1.335 0.000 2.997) 3.281 5.186 ( -2.645 0.000 4.004) 4.799 5.234 ( 0.438 0.000 -2.699) 2.735 5.297 ( 1.060 0.000 -4.612) 4.732 5.563 ( -3.204 0.000 -5.031) 5.965 5.604 ( 2.339 0.000 -5.852) 6.302 6.161 ( 0.057 0.000 7.238) 7.238 6.242 ( -2.676 0.000 -4.355) 5.111 6.590 ( -0.170 0.000 -3.207) 3.212 6.591 ( 4.069 0.000 -0.279) 4.078 6.841 ( -1.928 0.000 2.837) 3.430 6.877 ( -1.743 0.000 1.267) 2.155 6.991 ( -1.509 0.000 3.430) 3.747 7.091 ( 2.151 0.000 -5.121) 5.554 7.459 ( -0.564 0.000 5.354) 5.384 7.558 ( -2.033 0.000 -3.901) 4.399 7.568 ( 3.371 0.000 0.861) 3.479 7.600 ( 3.571 0.000 -5.769) 6.785 7.831 ( -2.120 0.000 2.122) 3.000 7.832 ( -1.066 0.000 0.179) 1.081 8.008 ( -0.548 0.000 -0.035) 0.550 8.039 ( 0.823 0.000 -0.842) 1.178 8.309 ( -2.233 0.000 0.414) 2.271 8.338 ( -3.080 0.000 0.780) 3.177 8.466 ( 2.189 0.000 8.195) 8.482 8.524 ( 1.193 0.000 -2.402) 2.682 8.754 ( -4.122 0.000 1.803) 4.499 8.888 ( 6.210 0.000 -3.456) 7.107 8.949 ( -0.612 0.000 8.847) 8.869 9.085 ( -5.309 0.000 -9.307) 10.714 9.280 ( -2.407 0.000 -7.862) 8.222 9.343 ( 8.725 0.000 1.757) 8.900 9.660 ( -1.563 0.000 -1.129) 1.928 9.669 ( 1.661 0.000 0.915) 1.897 9.776 ( -3.747 0.000 0.208) 3.753 9.825 ( 2.168 0.000 3.732) 4.316 9.918 ( -1.047 0.000 1.815) 2.096 10.014 ( 1.247 0.000 -4.011) 4.200 10.224 ( 0.858 0.000 2.971) 3.092 10.254 ( 1.548 0.000 -0.812) 1.748 11.034 ( -1.943 0.000 12.158) 12.313 11.109 ( -5.859 0.000 -1.326) 6.007 11.541 ( -1.235 0.000 17.610) 17.654 11.796 ( 1.868 0.000 -8.655) 8.854 11.927 ( 0.528 0.000 -2.966) 3.013 11.949 ( 0.314 0.000 -9.061) 9.066 12.070 ( 0.276 0.000 1.156) 1.188 12.097 ( -0.608 0.000 -2.962) 3.024 12.183 ( -4.176 0.000 0.463) 4.201 12.270 ( 6.748 0.000 3.882) 7.785 12.448 ( -2.604 0.000 0.427) 2.639 12.565 ( 5.396 0.000 -4.530) 7.046 13.010 ( -2.219 0.000 5.041) 5.507 13.121 ( -0.319 0.000 -3.094) 3.110 13.181 ( 0.547 0.000 0.246) 0.600 13.198 ( 1.692 0.000 -3.126) 3.554 13.398 ( -2.053 0.000 6.460) 6.779 13.558 ( 1.801 0.000 -8.113) 8.310 14.388 ( -4.197 0.000 5.171) 6.660 14.558 ( 6.248 0.000 -3.823) 7.325 15.858 ( 1.266 0.000 3.027) 3.281 15.888 ( -2.033 0.000 -4.466) 4.907 16.123 ( -3.310 0.000 -1.056) 3.474 16.216 ( 5.747 0.000 -2.544) 6.285 ======================= Grid point 141 (76/96) ======================= q-point: (-0.33 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -11.261 0.000 8.820) 14.304 1.506 ( -11.168 0.000 4.139) 11.910 1.719 ( -8.169 0.000 5.230) 9.700 1.775 ( -4.999 0.000 7.630) 9.122 1.870 ( -1.607 0.000 -2.764) 3.197 1.925 ( -2.607 0.000 4.529) 5.226 1.948 ( -5.525 0.000 5.771) 7.989 1.975 ( 2.481 0.000 1.160) 2.738 2.055 ( 0.408 0.000 -1.665) 1.714 2.090 ( -3.512 0.000 -1.508) 3.822 2.144 ( 0.114 0.000 0.142) 0.182 2.159 ( 0.307 0.000 6.174) 6.181 2.194 ( 3.009 0.000 -1.176) 3.231 2.249 ( 5.638 0.000 0.976) 5.722 2.296 ( 2.329 0.000 2.636) 3.517 2.333 ( 6.279 0.000 -2.146) 6.635 2.361 ( 1.297 0.000 -4.811) 4.983 2.443 ( 2.401 0.000 -9.666) 9.960 2.494 ( 1.814 0.000 2.702) 3.254 2.518 ( -0.838 0.000 4.025) 4.112 2.637 ( 10.754 0.000 -2.563) 11.055 2.658 ( -5.889 0.000 -5.549) 8.091 2.793 ( 1.867 0.000 5.065) 5.398 2.943 ( -1.257 0.000 7.304) 7.411 2.977 ( 14.522 0.000 7.382) 16.290 3.172 ( 0.784 0.000 -0.781) 1.107 3.309 ( -4.378 0.000 4.543) 6.309 3.481 ( -4.884 0.000 -1.240) 5.039 3.507 ( -5.847 0.000 10.234) 11.787 3.612 ( -0.150 0.000 2.528) 2.532 3.696 ( -5.350 0.000 18.669) 19.421 3.710 ( 7.197 0.000 1.218) 7.299 3.838 ( 6.058 0.000 -1.615) 6.270 3.846 ( 2.160 0.000 -3.784) 4.357 4.063 ( -3.149 0.000 7.106) 7.772 4.176 ( 1.872 0.000 3.234) 3.737 4.181 ( -0.728 0.000 -6.823) 6.862 4.195 ( -6.253 0.000 4.504) 7.707 4.259 ( 2.163 0.000 -11.517) 11.719 4.332 ( 3.885 0.000 -4.870) 6.230 4.448 ( -0.119 0.000 9.571) 9.572 4.710 ( 0.217 0.000 -4.959) 4.964 4.793 ( 1.063 0.000 0.292) 1.102 4.846 ( 2.573 0.000 -7.907) 8.315 5.176 ( -1.396 0.000 8.335) 8.451 5.211 ( 1.398 0.000 9.234) 9.339 5.240 ( 2.927 0.000 -5.091) 5.872 5.298 ( 1.289 0.000 -4.271) 4.461 5.458 ( -4.819 0.000 -3.080) 5.719 5.589 ( -0.332 0.000 -6.520) 6.529 6.138 ( -5.192 0.000 -5.297) 7.418 6.207 ( 1.181 0.000 6.838) 6.939 6.539 ( -2.686 0.000 -3.313) 4.265 6.667 ( 4.560 0.000 -2.223) 5.073 6.815 ( -5.660 0.000 0.381) 5.673 6.842 ( 0.316 0.000 0.051) 0.320 6.981 ( -1.381 0.000 4.772) 4.967 7.062 ( -1.462 0.000 -7.284) 7.429 7.462 ( -0.872 0.000 0.825) 1.200 7.515 ( -0.165 0.000 -4.274) 4.277 7.612 ( 0.051 0.000 -3.749) 3.750 7.645 ( 1.747 0.000 3.640) 4.038 7.803 ( -2.279 0.000 6.483) 6.872 7.819 ( -0.845 0.000 -0.653) 1.068 8.015 ( -0.103 0.000 -1.911) 1.914 8.098 ( 1.934 0.000 5.599) 5.923 8.188 ( -8.933 0.000 1.399) 9.042 8.313 ( 3.612 0.000 0.093) 3.613 8.523 ( -2.172 0.000 9.204) 9.457 8.628 ( 7.958 0.000 0.743) 7.992 8.715 ( -0.748 0.000 2.077) 2.207 8.894 ( -6.796 0.000 -7.525) 10.140 8.977 ( -1.513 0.000 8.892) 9.020 9.026 ( 8.646 0.000 -4.619) 9.803 9.215 ( 0.169 0.000 -8.537) 8.539 9.457 ( 2.631 0.000 0.025) 2.631 9.604 ( -3.209 0.000 -2.067) 3.817 9.700 ( 0.840 0.000 -3.298) 3.403 9.750 ( 2.609 0.000 2.538) 3.640 9.862 ( -1.810 0.000 5.916) 6.187 9.944 ( 4.959 0.000 0.134) 4.961 10.055 ( 5.429 0.000 -3.049) 6.227 10.299 ( 2.497 0.000 1.438) 2.882 10.308 ( 4.383 0.000 5.679) 7.174 11.012 ( -5.377 0.000 4.070) 6.744 11.084 ( -1.146 0.000 15.873) 15.914 11.577 ( -4.786 0.000 14.277) 15.058 11.747 ( 0.794 0.000 -15.677) 15.698 11.874 ( -3.532 0.000 -5.574) 6.599 11.916 ( 0.343 0.000 -7.047) 7.055 12.055 ( -0.310 0.000 2.495) 2.514 12.066 ( -1.014 0.000 -2.019) 2.260 12.185 ( 1.820 0.000 0.033) 1.820 12.409 ( 5.994 0.000 2.718) 6.581 12.418 ( -0.630 0.000 0.503) 0.806 12.647 ( 5.434 0.000 -3.424) 6.423 12.995 ( -2.427 0.000 5.320) 5.847 13.099 ( -0.525 0.000 -1.967) 2.036 13.201 ( 1.228 0.000 0.689) 1.408 13.212 ( 1.700 0.000 -3.751) 4.118 13.382 ( -3.251 0.000 5.995) 6.820 13.537 ( 0.963 0.000 -8.574) 8.628 14.357 ( -2.071 0.000 5.077) 5.483 14.656 ( 6.707 0.000 -5.787) 8.859 15.831 ( -1.624 0.000 -3.313) 3.690 15.892 ( 0.361 0.000 3.306) 3.326 16.060 ( -2.854 0.000 -0.110) 2.856 16.312 ( 6.391 0.000 -4.736) 7.955 ======================= Grid point 142 (77/96) ======================= q-point: (-0.22 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( -10.491 0.000 13.293) 16.934 1.348 ( -9.338 0.000 7.844) 12.195 1.634 ( -4.648 0.000 6.064) 7.640 1.653 ( -8.170 0.000 0.692) 8.199 1.820 ( -8.551 0.000 2.475) 8.902 1.867 ( 0.045 0.000 4.010) 4.010 1.968 ( 3.669 0.000 6.406) 7.382 1.970 ( -6.453 0.000 -1.144) 6.553 2.027 ( 3.445 0.000 -1.343) 3.698 2.040 ( -0.803 0.000 -3.689) 3.775 2.159 ( -2.778 0.000 2.986) 4.078 2.211 ( 1.370 0.000 5.237) 5.413 2.256 ( -2.170 0.000 3.825) 4.398 2.288 ( 5.097 0.000 1.455) 5.301 2.333 ( 2.064 0.000 -2.802) 3.480 2.392 ( 0.845 0.000 -0.593) 1.032 2.423 ( 2.463 0.000 -5.304) 5.848 2.470 ( 2.103 0.000 0.423) 2.145 2.514 ( 1.359 0.000 -2.101) 2.502 2.557 ( 8.019 0.000 -1.869) 8.234 2.637 ( 4.679 0.000 3.390) 5.778 2.854 ( 11.996 0.000 -0.389) 12.002 2.913 ( 6.695 0.000 4.188) 7.897 2.938 ( -4.336 0.000 8.292) 9.357 3.100 ( -6.121 0.000 -3.784) 7.197 3.244 ( 9.644 0.000 3.176) 10.153 3.295 ( -1.473 0.000 7.869) 8.006 3.382 ( -4.305 0.000 -2.385) 4.922 3.501 ( 1.166 0.000 5.743) 5.860 3.624 ( 0.555 0.000 4.391) 4.426 3.683 ( -7.543 0.000 20.833) 22.157 3.820 ( 6.012 0.000 -6.764) 9.050 3.881 ( -2.100 0.000 0.189) 2.109 3.907 ( 2.918 0.000 -3.894) 4.866 4.033 ( -4.563 0.000 10.703) 11.635 4.111 ( -3.626 0.000 5.539) 6.620 4.114 ( -1.758 0.000 -1.877) 2.571 4.229 ( 1.340 0.000 1.321) 1.882 4.278 ( 5.460 0.000 -10.787) 12.090 4.378 ( 3.289 0.000 -2.659) 4.229 4.495 ( 0.016 0.000 6.322) 6.322 4.644 ( -1.587 0.000 -10.682) 10.799 4.775 ( -2.872 0.000 -0.551) 2.924 4.850 ( -0.595 0.000 -2.986) 3.045 5.259 ( 0.407 0.000 -3.463) 3.487 5.265 ( 4.461 0.000 16.062) 16.670 5.290 ( 0.996 0.000 -6.635) 6.709 5.308 ( 4.912 0.000 -6.979) 8.534 5.442 ( 4.371 0.000 13.143) 13.850 5.531 ( -1.390 0.000 -6.243) 6.396 6.033 ( -2.340 0.000 -1.931) 3.034 6.286 ( 3.092 0.000 7.429) 8.047 6.484 ( -1.059 0.000 -2.698) 2.898 6.633 ( -9.823 0.000 -0.571) 9.839 6.754 ( 2.413 0.000 -3.855) 4.548 6.804 ( -4.463 0.000 -1.780) 4.805 6.977 ( -2.463 0.000 -8.470) 8.821 6.998 ( -0.219 0.000 4.373) 4.379 7.440 ( -1.179 0.000 -1.679) 2.051 7.489 ( -1.013 0.000 -4.603) 4.714 7.551 ( -5.487 0.000 0.567) 5.516 7.641 ( -3.247 0.000 4.595) 5.627 7.788 ( -1.722 0.000 -0.711) 1.864 7.832 ( -0.599 0.000 9.091) 9.111 7.948 ( -3.838 0.000 -7.795) 8.688 7.964 ( -9.310 0.000 2.904) 9.752 8.275 ( 7.205 0.000 6.697) 9.837 8.423 ( 5.819 0.000 -1.796) 6.090 8.496 ( -5.180 0.000 12.855) 13.859 8.738 ( -2.584 0.000 -5.518) 6.093 8.755 ( 3.727 0.000 2.079) 4.268 8.798 ( 6.156 0.000 1.597) 6.360 8.992 ( -1.661 0.000 8.186) 8.353 9.111 ( 1.857 0.000 -7.531) 7.757 9.253 ( 8.278 0.000 -2.174) 8.559 9.460 ( -1.295 0.000 -0.761) 1.502 9.530 ( -2.966 0.000 -2.939) 4.175 9.687 ( 0.356 0.000 -3.486) 3.504 9.863 ( 6.647 0.000 1.685) 6.858 9.890 ( 2.828 0.000 4.200) 5.063 10.052 ( 5.361 0.000 0.789) 5.419 10.177 ( 9.879 0.000 -4.967) 11.058 10.346 ( 0.968 0.000 2.808) 2.970 10.410 ( 2.217 0.000 6.798) 7.151 10.960 ( -3.602 0.000 8.587) 9.312 11.152 ( -1.726 0.000 17.588) 17.673 11.524 ( -7.176 0.000 9.687) 12.056 11.673 ( 0.496 0.000 -15.167) 15.175 11.751 ( -5.354 0.000 -7.478) 9.197 11.877 ( 0.885 0.000 -10.930) 10.966 12.042 ( -1.007 0.000 0.131) 1.016 12.102 ( 1.534 0.000 2.970) 3.342 12.222 ( 2.531 0.000 3.349) 4.198 12.437 ( 2.146 0.000 1.151) 2.435 12.520 ( 4.863 0.000 0.991) 4.963 12.713 ( 2.854 0.000 -2.016) 3.494 12.978 ( -2.449 0.000 5.101) 5.659 13.081 ( -0.053 0.000 -2.760) 2.761 13.216 ( 0.745 0.000 -3.092) 3.180 13.227 ( 1.043 0.000 0.454) 1.138 13.351 ( -3.344 0.000 5.857) 6.745 13.504 ( 0.744 0.000 -8.777) 8.808 14.367 ( -0.134 0.000 5.837) 5.839 14.726 ( 4.602 0.000 -8.591) 9.746 15.801 ( 0.195 0.000 -1.876) 1.886 15.905 ( -0.861 0.000 2.837) 2.964 16.027 ( -1.275 0.000 2.903) 3.170 16.386 ( 5.036 0.000 -8.020) 9.470 ======================= Grid point 143 (78/96) ======================= q-point: (-0.11 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -7.673 0.000 15.814) 17.577 1.256 ( -5.452 0.000 10.483) 11.816 1.527 ( -4.325 0.000 -2.639) 5.066 1.566 ( -5.830 0.000 2.231) 6.242 1.747 ( -0.224 0.000 4.487) 4.493 1.862 ( -5.265 0.000 1.886) 5.593 1.910 ( 1.970 0.000 -1.044) 2.230 1.993 ( 0.121 0.000 -2.460) 2.463 2.036 ( -7.346 0.000 12.239) 14.274 2.088 ( 4.536 0.000 -5.063) 6.798 2.126 ( 2.755 0.000 4.167) 4.995 2.264 ( 0.554 0.000 5.185) 5.214 2.280 ( -1.178 0.000 3.642) 3.828 2.338 ( -1.322 0.000 -3.421) 3.668 2.352 ( 1.305 0.000 1.000) 1.644 2.378 ( 6.484 0.000 -2.607) 6.989 2.399 ( 0.568 0.000 -2.486) 2.550 2.534 ( 2.273 0.000 -0.537) 2.336 2.603 ( 2.988 0.000 3.065) 4.280 2.683 ( 2.021 0.000 -0.387) 2.058 2.741 ( 4.234 0.000 5.081) 6.614 2.907 ( -2.679 0.000 6.097) 6.660 2.928 ( -2.057 0.000 -4.954) 5.364 2.988 ( 0.291 0.000 -0.835) 0.885 3.125 ( 12.243 0.000 -0.392) 12.249 3.287 ( -3.058 0.000 6.730) 7.392 3.350 ( 2.883 0.000 -1.662) 3.328 3.391 ( 4.137 0.000 3.891) 5.679 3.549 ( -1.644 0.000 3.484) 3.852 3.648 ( -2.091 0.000 0.864) 2.262 3.655 ( -7.105 0.000 20.584) 21.776 3.774 ( -7.776 0.000 1.142) 7.860 3.853 ( 0.544 0.000 -7.528) 7.548 3.879 ( 3.402 0.000 -7.671) 8.392 4.024 ( -2.667 0.000 9.668) 10.029 4.132 ( 1.520 0.000 1.718) 2.293 4.151 ( 2.767 0.000 8.374) 8.819 4.227 ( -2.826 0.000 3.951) 4.858 4.326 ( 5.415 0.000 -9.238) 10.708 4.399 ( -0.296 0.000 -5.599) 5.607 4.523 ( 0.386 0.000 4.145) 4.163 4.582 ( 1.333 0.000 -6.022) 6.168 4.702 ( -3.533 0.000 -1.973) 4.047 4.791 ( -3.737 0.000 -0.186) 3.741 5.229 ( 0.287 0.000 -3.625) 3.636 5.262 ( 0.979 0.000 -9.346) 9.398 5.332 ( 2.324 0.000 -10.200) 10.462 5.363 ( -2.527 0.000 -3.154) 4.042 5.616 ( 11.824 0.000 12.249) 17.025 5.661 ( 9.559 0.000 8.446) 12.756 6.100 ( 8.291 0.000 8.235) 11.686 6.332 ( -7.646 0.000 8.137) 11.165 6.459 ( -1.913 0.000 -0.766) 2.061 6.483 ( 0.062 0.000 -1.789) 1.790 6.675 ( -6.021 0.000 -3.977) 7.216 6.759 ( 0.461 0.000 -2.788) 2.826 6.886 ( -2.320 0.000 -9.915) 10.183 6.988 ( -2.994 0.000 1.576) 3.384 7.345 ( -12.007 0.000 5.988) 13.417 7.402 ( -1.552 0.000 -2.655) 3.075 7.522 ( 1.411 0.000 -0.178) 1.423 7.620 ( -1.541 0.000 5.119) 5.346 7.756 ( -1.102 0.000 -2.231) 2.488 7.803 ( -6.750 0.000 -4.242) 7.972 7.850 ( -1.367 0.000 1.237) 1.843 7.874 ( -1.113 0.000 -1.009) 1.502 8.419 ( -4.234 0.000 8.472) 9.471 8.435 ( 5.769 0.000 4.744) 7.470 8.529 ( 0.312 0.000 2.396) 2.416 8.673 ( 0.367 0.000 -6.784) 6.794 8.875 ( 7.135 0.000 2.979) 7.732 8.925 ( 4.148 0.000 4.122) 5.848 9.010 ( -0.674 0.000 6.213) 6.249 9.085 ( -0.094 0.000 -4.759) 4.760 9.397 ( 5.280 0.000 2.989) 6.067 9.415 ( -3.697 0.000 1.806) 4.114 9.479 ( 1.037 0.000 -6.320) 6.404 9.663 ( -1.038 0.000 -4.301) 4.425 9.989 ( 5.920 0.000 1.064) 6.015 10.017 ( 7.948 0.000 4.002) 8.898 10.122 ( 1.571 0.000 -0.871) 1.796 10.342 ( -0.443 0.000 -1.227) 1.304 10.349 ( 8.668 0.000 -4.133) 9.603 10.444 ( -2.763 0.000 6.679) 7.228 10.993 ( 1.599 0.000 11.342) 11.454 11.194 ( -4.918 0.000 17.805) 18.471 11.451 ( -4.597 0.000 6.441) 7.913 11.603 ( 0.177 0.000 -12.735) 12.736 11.613 ( -5.411 0.000 -5.324) 7.591 11.834 ( 1.696 0.000 -13.238) 13.346 12.033 ( -0.259 0.000 1.083) 1.113 12.100 ( -1.143 0.000 -0.839) 1.418 12.340 ( 5.395 0.000 8.137) 9.763 12.505 ( 4.043 0.000 2.374) 4.688 12.597 ( 3.281 0.000 -1.360) 3.552 12.716 ( -1.790 0.000 -1.487) 2.327 12.961 ( -2.088 0.000 4.531) 4.989 13.066 ( 0.615 0.000 -4.227) 4.272 13.206 ( -0.310 0.000 -1.425) 1.458 13.235 ( -0.448 0.000 -0.137) 0.468 13.330 ( -2.149 0.000 5.339) 5.755 13.474 ( 1.204 0.000 -8.371) 8.457 14.410 ( 0.745 0.000 7.090) 7.130 14.725 ( 0.934 0.000 -10.177) 10.219 15.822 ( 2.969 0.000 -1.298) 3.240 15.890 ( -2.040 0.000 1.874) 2.770 16.052 ( 1.208 0.000 6.271) 6.386 16.400 ( 1.824 0.000 -10.883) 11.035 ======================= Grid point 144 (79/96) ======================= q-point: ( 0.00 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -2.126 4.707 12.070) 13.129 1.298 ( 2.170 1.737 6.392) 6.971 1.505 ( 0.028 2.098 2.286) 3.103 1.517 ( -1.806 3.486 -0.279) 3.936 1.733 ( 1.954 -7.184 8.137) 11.029 1.751 ( -3.216 -5.784 4.695) 8.114 1.878 ( -1.818 -0.535 -5.868) 6.166 1.935 ( 0.077 -1.264 -4.846) 5.008 2.063 ( -4.204 2.116 0.423) 4.725 2.089 ( 1.447 -0.166 6.598) 6.757 2.177 ( 0.834 0.755 1.580) 1.940 2.279 ( -1.698 0.967 2.930) 3.522 2.289 ( 1.124 -1.763 3.544) 4.114 2.357 ( 0.427 -3.520 -0.945) 3.669 2.379 ( 0.325 4.183 0.971) 4.306 2.408 ( 0.602 3.665 0.502) 3.748 2.520 ( 2.675 -0.352 -2.595) 3.744 2.530 ( -0.893 -0.986 0.142) 1.338 2.587 ( -1.376 -1.777 0.127) 2.251 2.604 ( 0.091 -2.755 0.152) 2.760 2.861 ( 1.090 2.812 4.085) 5.078 2.921 ( 2.838 2.750 2.950) 4.931 2.961 ( -5.730 6.790 0.127) 8.886 3.047 ( 2.574 3.164 -3.355) 5.282 3.247 ( -2.043 -0.422 3.876) 4.401 3.337 ( -4.041 -4.429 0.649) 6.030 3.361 ( 0.775 -0.240 -0.460) 0.932 3.373 ( 4.524 -3.897 0.259) 5.977 3.419 ( 7.638 -6.708 2.631) 10.500 3.496 ( -5.608 -10.322 -3.011) 12.127 3.634 ( -3.097 2.440 13.399) 13.967 3.715 ( -4.511 1.217 11.119) 12.061 3.829 ( -2.137 1.369 -6.441) 6.923 3.908 ( 3.346 -4.872 0.528) 5.934 4.049 ( -2.736 1.505 7.508) 8.132 4.145 ( -3.678 -0.816 5.516) 6.680 4.179 ( -1.983 3.621 4.464) 6.080 4.250 ( -1.614 -0.878 -3.232) 3.718 4.362 ( 7.710 1.150 -6.321) 10.036 4.382 ( 3.190 2.348 -9.454) 10.250 4.574 ( 2.753 1.389 5.843) 6.606 4.617 ( 1.250 -0.713 0.512) 1.527 4.676 ( -1.503 3.088 -1.998) 3.973 4.739 ( -2.151 -0.270 -1.448) 2.607 5.206 ( 0.143 -1.198 -8.024) 8.114 5.240 ( -2.812 -2.202 -6.246) 7.195 5.252 ( 2.277 0.620 -4.683) 5.244 5.298 ( 2.006 -1.199 -6.654) 7.053 5.866 ( 3.415 2.566 3.164) 5.316 5.881 ( 5.720 2.127 1.353) 6.251 6.278 ( 4.992 -0.587 6.034) 7.853 6.326 ( -1.241 -2.214 3.469) 4.298 6.391 ( 4.182 2.653 6.141) 7.889 6.470 ( -1.894 -0.758 1.649) 2.623 6.667 ( 1.514 4.080 -5.486) 7.002 6.722 ( -4.956 1.121 -11.660) 12.719 6.860 ( 1.462 -0.345 -0.163) 1.511 6.886 ( -0.328 -1.275 -2.450) 2.781 7.259 ( -6.944 4.483 10.509) 13.370 7.360 ( -1.465 -0.777 0.037) 1.659 7.574 ( -1.617 1.375 4.167) 4.677 7.630 ( -1.958 0.699 4.820) 5.249 7.699 ( 0.092 0.468 -2.572) 2.616 7.740 ( 2.253 -0.735 -8.644) 8.963 7.853 ( -4.884 7.139 4.780) 9.882 7.967 ( 6.244 6.094 -4.721) 9.920 8.336 ( -0.568 -6.789 6.893) 9.692 8.400 ( -1.836 -10.171 0.555) 10.350 8.567 ( -0.077 4.065 3.160) 5.149 8.676 ( 4.080 -0.913 -5.182) 6.658 8.985 ( 1.407 0.055 4.596) 4.807 9.015 ( -0.220 -1.423 3.261) 3.564 9.075 ( -0.872 6.797 1.341) 6.983 9.142 ( 2.112 8.468 -4.752) 9.937 9.320 ( -4.473 -3.648 5.126) 7.719 9.465 ( 4.176 -4.927 -7.471) 9.876 9.532 ( 1.998 7.565 6.239) 10.007 9.641 ( -2.928 5.414 -3.991) 7.336 10.015 ( 2.239 -7.737 1.430) 8.180 10.046 ( -1.270 -5.973 -1.728) 6.347 10.205 ( 2.243 1.440 5.114) 5.767 10.279 ( -3.510 2.316 -0.503) 4.235 10.351 ( -4.763 -2.285 3.535) 6.357 10.474 ( 9.231 -3.375 -6.358) 11.706 11.091 ( -0.753 -0.012 15.542) 15.561 11.214 ( -3.976 3.927 10.216) 11.645 11.398 ( -3.321 -7.534 8.973) 12.178 11.487 ( 0.274 2.844 -5.557) 6.248 11.556 ( -1.098 -4.254 -3.030) 5.337 11.757 ( 2.354 -4.138 -10.622) 11.640 11.884 ( -1.276 -13.978 3.457) 14.455 11.990 ( 1.165 -9.801 -5.508) 11.303 12.306 ( 0.691 -8.131 3.444) 8.857 12.341 ( 1.123 -8.423 0.611) 8.519 12.620 ( 1.438 -0.059 0.912) 1.704 12.644 ( -1.255 -0.720 -1.116) 1.827 12.968 ( -1.324 2.464 3.287) 4.316 13.039 ( 1.448 0.240 -2.036) 2.510 13.222 ( 0.264 -0.869 0.974) 1.332 13.314 ( 0.470 -2.753 -6.394) 6.977 13.588 ( -0.252 21.981 5.275) 22.606 13.709 ( -0.240 22.593 -5.899) 23.352 14.423 ( 0.134 -3.617 6.618) 7.543 14.596 ( -1.753 -6.987 -9.138) 11.636 15.911 ( 0.973 5.020 1.251) 5.265 15.966 ( 0.887 8.841 -4.096) 9.783 16.098 ( 2.375 -3.279 6.846) 7.954 16.291 ( -1.438 -5.271 -11.206) 12.467 ======================= Grid point 145 (80/96) ======================= q-point: ( 0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 2.642 3.737 9.261) 10.330 1.387 ( 5.022 -1.319 -1.320) 5.358 1.539 ( 4.597 1.530 0.605) 4.883 1.583 ( 5.453 4.715 5.263) 8.926 1.714 ( -1.199 -6.531 4.686) 8.127 1.834 ( 1.033 2.701 -6.231) 6.870 1.849 ( 2.878 -5.197 11.094) 12.584 1.919 ( 0.571 1.008 -2.624) 2.868 2.023 ( -0.198 1.148 -0.453) 1.250 2.149 ( -0.037 -3.693 7.127) 8.027 2.194 ( -0.145 0.977 -1.300) 1.633 2.255 ( -3.823 -1.037 1.413) 4.206 2.297 ( -0.243 2.892 -1.399) 3.222 2.312 ( -2.251 2.351 1.424) 3.552 2.355 ( -1.490 1.782 0.017) 2.323 2.421 ( -1.326 0.453 -1.461) 2.024 2.467 ( -2.520 4.024 -2.447) 5.341 2.522 ( -2.455 -2.289 0.819) 3.455 2.580 ( -0.394 -3.068 0.749) 3.182 2.623 ( -2.009 -5.373 0.861) 5.800 2.820 ( -2.874 1.980 0.614) 3.544 2.870 ( -4.413 2.716 -0.604) 5.216 2.970 ( 0.789 1.178 0.457) 1.490 3.063 ( -2.420 0.311 1.912) 3.100 3.133 ( -5.917 4.794 -2.146) 7.912 3.229 ( -4.534 -3.625 1.567) 6.013 3.351 ( -2.934 -7.313 -2.388) 8.233 3.401 ( -0.733 -5.058 -0.031) 5.111 3.555 ( 7.810 -2.402 -1.590) 8.325 3.584 ( 6.471 -1.438 4.640) 8.091 3.626 ( -4.201 1.511 12.317) 13.101 3.736 ( -0.518 -2.689 10.027) 10.394 3.832 ( 5.577 0.825 -2.128) 6.026 3.955 ( 0.620 -3.913 1.239) 4.151 3.993 ( -6.997 1.514 8.431) 11.061 4.056 ( -8.193 -1.183 8.453) 11.831 4.142 ( -0.193 4.604 -7.790) 9.051 4.255 ( 2.945 0.282 0.184) 2.964 4.416 ( 4.074 1.028 -8.817) 9.767 4.432 ( 2.968 2.951 -7.268) 8.387 4.594 ( -3.237 2.890 -0.418) 4.360 4.641 ( 0.562 0.357 3.499) 3.562 4.691 ( 3.519 0.186 -0.516) 3.561 4.711 ( 0.157 -1.483 -0.995) 1.793 5.178 ( 0.082 -0.958 -3.168) 3.311 5.188 ( 0.551 -1.468 -3.378) 3.725 5.258 ( 2.091 2.280 -5.565) 6.367 5.355 ( 5.814 -2.238 -2.824) 6.840 5.789 ( -5.188 2.119 -3.374) 6.541 5.844 ( -7.167 0.052 -6.498) 9.674 6.345 ( -8.104 2.279 -6.084) 10.386 6.405 ( 5.526 1.199 2.904) 6.357 6.473 ( 0.182 -1.004 -3.812) 3.946 6.497 ( 8.970 -1.147 -2.527) 9.389 6.618 ( 1.978 2.470 0.986) 3.314 6.701 ( 3.139 -0.549 1.169) 3.395 6.782 ( -3.251 3.338 0.601) 4.698 6.965 ( 3.482 -4.716 -0.279) 5.869 7.289 ( 3.155 3.684 10.259) 11.348 7.362 ( 0.726 -0.241 3.425) 3.509 7.567 ( -1.048 3.021 4.215) 5.291 7.636 ( 0.473 1.841 5.918) 6.216 7.706 ( 1.591 -0.200 -1.987) 2.554 7.799 ( 7.449 -3.564 -5.904) 10.151 7.821 ( -1.043 6.753 3.052) 7.483 8.081 ( 8.240 6.252 -4.819) 11.411 8.304 ( -4.547 -8.371 3.248) 10.065 8.436 ( 3.165 -6.173 2.549) 7.390 8.568 ( -1.278 5.674 2.192) 6.215 8.717 ( 4.171 -0.444 -8.146) 9.163 8.981 ( -7.086 2.146 -1.074) 7.481 9.006 ( -1.005 3.568 1.198) 3.896 9.033 ( -2.157 0.035 3.423) 4.046 9.150 ( 0.551 8.122 -4.218) 9.169 9.270 ( -2.214 -5.854 3.846) 7.346 9.471 ( 0.184 -2.490 -6.052) 6.547 9.544 ( -4.086 3.088 -1.487) 5.334 9.602 ( 0.837 7.520 3.690) 8.419 9.959 ( -4.888 -5.462 -1.372) 7.457 10.038 ( -1.660 -7.434 -0.329) 7.624 10.134 ( -6.079 2.192 -1.752) 6.696 10.181 ( -8.627 -1.685 5.785) 10.523 10.391 ( 4.564 1.556 -1.988) 5.216 10.557 ( 3.071 -3.389 -6.632) 8.056 11.081 ( -4.853 2.820 9.656) 11.169 11.299 ( 1.297 0.881 14.668) 14.751 11.343 ( -3.316 -3.460 5.858) 7.569 11.524 ( 1.390 0.985 6.283) 6.510 11.554 ( 4.558 -2.558 -7.919) 9.489 11.744 ( 2.229 0.241 -10.891) 11.120 11.909 ( 1.578 -17.608 4.311) 18.197 11.999 ( 2.657 -9.975 -4.580) 11.293 12.304 ( -1.896 -8.353 0.986) 8.622 12.343 ( -0.564 -7.558 -2.050) 7.851 12.600 ( -2.267 0.811 -1.658) 2.923 12.641 ( -0.190 -1.907 0.821) 2.085 12.968 ( -0.662 1.933 3.182) 3.782 13.061 ( 1.943 -0.091 -2.111) 2.871 13.233 ( 0.145 -1.248 1.326) 1.826 13.290 ( 0.587 -0.642 -5.524) 5.592 13.602 ( -1.408 22.434 4.994) 23.027 13.672 ( -0.252 20.091 -4.640) 20.621 14.454 ( -1.342 -5.473 7.941) 9.737 14.511 ( -2.279 -6.292 -6.475) 9.312 15.878 ( -2.529 7.071 -1.287) 7.619 16.005 ( 3.346 5.414 -2.944) 7.013 16.155 ( -1.000 -5.253 1.070) 5.453 16.209 ( -0.132 -3.094 -4.580) 5.529 ======================= Grid point 146 (81/96) ======================= q-point: ( 0.22 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 6.605 2.302 4.462) 8.297 1.479 ( 6.983 -1.894 -4.383) 8.459 1.664 ( 7.800 0.826 0.379) 7.853 1.726 ( 5.650 1.197 6.567) 8.745 1.785 ( 5.336 -0.051 6.410) 8.340 1.850 ( 3.937 3.441 -5.230) 7.395 1.925 ( 0.027 0.542 3.054) 3.102 1.956 ( 3.835 -2.147 3.708) 5.750 2.035 ( 1.037 0.421 -0.944) 1.464 2.103 ( -6.324 0.403 -3.091) 7.050 2.151 ( -1.632 -3.239 6.337) 7.302 2.218 ( -0.646 -3.373 0.147) 3.437 2.267 ( -2.403 1.500 -0.301) 2.849 2.305 ( -3.581 1.968 -1.443) 4.333 2.319 ( -3.391 1.598 1.039) 3.890 2.361 ( -3.241 -0.804 -0.689) 3.410 2.419 ( 0.224 4.464 -1.117) 4.607 2.458 ( -5.793 0.546 1.428) 5.991 2.513 ( -6.685 -0.252 1.465) 6.849 2.557 ( -2.589 0.970 0.602) 2.830 2.725 ( -6.446 1.086 -4.409) 7.884 2.855 ( -0.712 -0.934 -0.954) 1.513 2.885 ( -8.711 -3.934 -0.721) 9.585 3.017 ( 4.903 -2.287 -0.299) 5.419 3.122 ( -2.783 2.355 2.947) 4.687 3.203 ( 1.411 -5.868 -1.548) 6.231 3.234 ( -3.807 -5.674 -1.658) 7.031 3.392 ( -3.663 -4.589 1.541) 6.071 3.582 ( -4.995 3.714 11.035) 12.669 3.664 ( 2.691 2.403 3.698) 5.167 3.727 ( 4.580 1.204 0.781) 4.800 3.771 ( -0.375 -2.818 2.544) 3.815 3.882 ( -3.284 2.268 2.415) 4.665 3.928 ( -3.141 -3.775 7.698) 9.132 3.969 ( -3.946 -2.443 5.252) 7.009 3.996 ( 4.397 -1.852 0.214) 4.776 4.147 ( 3.666 4.587 -5.576) 8.097 4.314 ( 4.340 0.754 -4.333) 6.179 4.374 ( -4.355 3.628 -3.713) 6.776 4.423 ( 0.761 0.944 -6.607) 6.717 4.527 ( -2.564 0.355 -3.300) 4.194 4.629 ( -1.417 -2.931 0.252) 3.266 4.730 ( 0.667 1.614 1.894) 2.577 4.770 ( 3.929 -0.948 0.779) 4.116 5.167 ( -0.681 0.449 0.340) 0.884 5.211 ( 2.444 -0.563 -0.117) 2.511 5.278 ( 2.489 3.956 -3.366) 5.760 5.453 ( 5.993 -3.409 -3.344) 7.663 5.650 ( -6.379 1.269 -12.621) 14.198 5.703 ( -1.665 -0.919 -8.741) 8.945 6.138 ( -6.644 4.360 -7.949) 11.240 6.342 ( -5.185 -4.589 -1.914) 7.183 6.504 ( 0.255 5.342 0.251) 5.354 6.644 ( 8.819 -0.482 -0.208) 8.835 6.679 ( -3.232 -0.287 2.026) 3.825 6.727 ( 2.919 -2.939 4.477) 6.099 6.853 ( 6.127 4.239 3.263) 8.134 7.021 ( 2.716 -3.694 0.023) 4.585 7.387 ( 1.962 0.785 4.014) 4.536 7.419 ( 2.784 0.589 3.156) 4.250 7.588 ( 0.799 5.774 2.370) 6.292 7.699 ( 2.213 1.630 2.234) 3.542 7.758 ( 4.645 -1.594 2.775) 5.641 7.837 ( 1.159 3.676 2.678) 4.694 7.916 ( 7.127 -3.556 -3.836) 8.840 8.196 ( 6.095 4.772 -4.213) 8.813 8.229 ( -4.193 -4.032 0.431) 5.833 8.469 ( -1.806 0.738 -3.218) 3.763 8.577 ( 1.345 1.280 5.771) 6.062 8.742 ( 2.770 -1.737 -8.308) 8.928 8.801 ( -10.639 2.415 0.255) 10.913 8.927 ( -6.163 7.952 0.659) 10.083 9.014 ( -1.351 -0.747 0.120) 1.548 9.124 ( -2.027 0.127 -3.870) 4.371 9.262 ( -0.364 3.374 -1.708) 3.800 9.443 ( 1.272 -0.600 -2.224) 2.632 9.490 ( -0.485 -3.074 0.652) 3.179 9.620 ( -0.826 4.197 2.841) 5.135 9.852 ( -5.041 -6.160 -2.984) 8.501 9.973 ( -4.402 -7.133 0.185) 8.384 10.026 ( -3.637 3.938 -2.895) 6.092 10.079 ( -5.009 -0.347 3.090) 5.896 10.412 ( -0.806 -0.394 -3.691) 3.798 10.514 ( -3.648 -3.065 -5.583) 7.339 11.067 ( -1.332 2.616 5.069) 5.858 11.261 ( -5.922 -6.667 11.573) 14.610 11.481 ( 5.433 5.637 12.636) 14.865 11.575 ( 2.610 1.820 -4.371) 5.407 11.628 ( 5.180 -0.977 0.060) 5.272 11.736 ( 2.622 0.133 -3.875) 4.681 11.959 ( 1.956 -11.933 -1.336) 12.166 12.038 ( 3.242 -12.280 -1.215) 12.759 12.268 ( -2.250 -7.962 -0.342) 8.281 12.297 ( -1.926 -4.905 -4.066) 6.656 12.549 ( -1.845 1.594 -2.295) 3.349 12.620 ( -2.284 -2.782 0.451) 3.627 12.974 ( -0.991 0.764 3.856) 4.054 13.076 ( 0.406 -1.289 -1.362) 1.919 13.236 ( -0.009 0.449 -0.565) 0.722 13.281 ( 1.116 0.202 -3.590) 3.765 13.593 ( -1.805 20.209 3.620) 20.610 13.653 ( 0.475 16.649 -3.384) 16.996 14.432 ( -1.824 -5.990 -2.628) 6.791 14.473 ( -2.589 -5.787 6.351) 8.974 15.835 ( -1.161 5.614 -1.065) 5.831 16.024 ( 0.487 2.453 -4.462) 5.115 16.103 ( -0.390 -2.685 -4.479) 5.237 16.224 ( -0.278 -2.622 2.875) 3.901 ======================= Grid point 147 (82/96) ======================= q-point: ( 0.33 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( 8.618 1.743 0.677) 8.819 1.594 ( 7.640 0.724 -4.669) 8.983 1.811 ( 5.648 2.152 2.555) 6.562 1.857 ( 5.128 -0.009 3.622) 6.278 1.907 ( 3.019 2.187 0.559) 3.770 1.923 ( 2.591 1.320 0.904) 3.045 1.944 ( 2.520 0.115 3.650) 4.437 1.998 ( -1.213 1.599 -1.016) 2.250 2.020 ( 0.790 -2.094 0.067) 2.239 2.034 ( -1.007 -0.653 -0.209) 1.218 2.151 ( -4.722 0.275 0.934) 4.822 2.191 ( -1.362 -0.579 0.481) 1.556 2.226 ( 1.018 -1.246 0.668) 1.742 2.244 ( -0.900 -1.293 0.632) 1.698 2.263 ( -3.300 -2.176 0.062) 3.953 2.289 ( -4.335 -0.962 0.181) 4.444 2.311 ( -4.571 2.352 1.346) 5.314 2.375 ( -5.980 2.572 -0.111) 6.511 2.469 ( -1.459 -1.121 3.181) 3.675 2.509 ( -4.938 -1.721 1.157) 5.355 2.581 ( -7.319 -0.688 -2.442) 7.746 2.701 ( -4.775 1.062 -1.797) 5.211 2.884 ( 2.094 2.379 -1.813) 3.651 3.046 ( -5.959 -0.614 0.966) 6.068 3.113 ( -5.611 -0.763 -2.504) 6.192 3.142 ( 6.168 1.332 -0.265) 6.316 3.282 ( -0.958 -7.038 -0.921) 7.162 3.335 ( 5.180 -8.048 0.195) 9.573 3.549 ( -5.645 2.575 10.825) 12.477 3.654 ( -6.856 -2.296 3.403) 7.991 3.718 ( -2.266 1.974 -2.649) 4.006 3.764 ( -3.399 1.648 4.976) 6.247 3.853 ( -1.610 2.467 2.286) 3.728 3.934 ( 0.271 -5.855 0.765) 5.911 3.959 ( 0.463 0.570 5.614) 5.661 4.075 ( 3.582 -2.387 -2.297) 4.879 4.164 ( -0.519 5.608 -0.893) 5.702 4.264 ( -3.604 1.539 -0.953) 4.032 4.383 ( 5.419 2.798 -7.130) 9.382 4.399 ( -0.713 0.782 -3.258) 3.425 4.481 ( -0.099 -3.638 -2.383) 4.350 4.622 ( -0.323 -3.647 2.313) 4.331 4.725 ( -1.278 3.364 -0.370) 3.617 4.827 ( 1.451 -1.447 0.352) 2.080 5.165 ( 0.370 1.577 0.383) 1.664 5.256 ( 1.383 0.887 1.632) 2.315 5.299 ( 1.378 2.232 -3.654) 4.498 5.447 ( -3.449 0.050 -15.018) 15.409 5.553 ( 2.744 -1.341 -3.529) 4.667 5.614 ( -0.540 -1.736 -12.982) 13.108 6.075 ( 1.103 3.917 1.553) 4.356 6.271 ( -1.565 -4.780 -0.874) 5.105 6.520 ( 0.718 5.468 2.439) 6.031 6.621 ( -2.939 1.138 2.735) 4.172 6.785 ( 4.157 -3.104 2.479) 5.750 6.797 ( 4.432 -3.279 -0.024) 5.513 6.965 ( 3.356 4.006 3.819) 6.473 7.050 ( 0.595 -0.519 -0.094) 0.795 7.428 ( 0.465 1.063 4.231) 4.387 7.475 ( 2.194 -0.518 1.299) 2.602 7.600 ( -0.372 5.655 0.164) 5.670 7.723 ( 0.202 1.345 -2.061) 2.470 7.839 ( 2.166 1.493 0.289) 2.646 7.894 ( 2.248 -0.833 0.927) 2.571 8.006 ( 4.800 -1.621 -2.461) 5.632 8.155 ( -3.780 -4.267 2.244) 6.126 8.270 ( 3.599 6.418 -3.999) 8.375 8.359 ( -5.221 3.846 -4.406) 7.840 8.547 ( -10.504 -1.923 0.983) 10.723 8.692 ( 2.840 -3.350 3.503) 5.617 8.735 ( -1.334 1.463 -4.823) 5.214 8.864 ( -1.143 4.672 1.935) 5.184 8.991 ( -2.263 -0.718 -0.570) 2.442 9.005 ( -5.181 -2.251 -4.145) 7.006 9.271 ( 3.530 8.564 -5.458) 10.752 9.475 ( 0.594 1.362 -0.015) 1.486 9.536 ( 3.876 -2.893 1.959) 5.218 9.619 ( 0.497 -0.880 1.525) 1.829 9.767 ( -1.905 -3.565 -2.435) 4.719 9.897 ( -4.232 -5.187 0.593) 6.721 9.967 ( -2.198 2.303 0.037) 3.184 10.023 ( -0.951 -0.169 -2.614) 2.786 10.335 ( -4.841 -1.615 -3.285) 6.070 10.385 ( -6.759 -2.381 -3.865) 8.142 11.060 ( -2.336 1.613 4.524) 5.341 11.257 ( -1.967 -6.619 12.821) 14.562 11.516 ( -2.561 8.766 -6.837) 11.408 11.664 ( 4.937 2.949 10.595) 12.055 11.735 ( 6.280 -1.912 -1.520) 6.739 11.825 ( 6.425 -2.784 2.959) 7.601 11.957 ( 0.135 -9.472 -5.516) 10.962 12.087 ( 1.838 -8.589 -0.151) 8.785 12.208 ( -2.749 -2.073 -2.112) 4.039 12.260 ( -0.739 -7.342 -2.131) 7.681 12.513 ( -0.202 1.634 -3.328) 3.713 12.567 ( -3.502 -1.729 0.251) 3.913 12.970 ( -1.797 -0.719 4.636) 5.024 13.062 ( -1.203 -2.737 -0.176) 2.995 13.234 ( 0.638 2.361 -2.278) 3.342 13.284 ( 1.063 0.575 -3.254) 3.471 13.580 ( -1.746 18.161 3.755) 18.628 13.652 ( 1.576 12.622 -4.034) 13.344 14.400 ( 0.048 -5.628 -2.206) 6.045 14.446 ( -3.883 -5.903 5.936) 9.228 15.827 ( 0.536 4.301 0.097) 4.335 15.992 ( -0.618 -0.882 -4.462) 4.590 16.098 ( 1.408 0.620 -2.730) 3.134 16.214 ( -1.825 -2.326 1.068) 3.144 ======================= Grid point 148 (83/96) ======================= q-point: ( 0.44 0.25 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 6.344 1.646 -3.635) 7.495 1.713 ( 5.874 1.122 0.442) 5.997 1.781 ( -5.392 3.726 2.581) 7.044 1.893 ( -7.050 -1.566 1.991) 7.492 1.947 ( -3.297 0.450 -1.020) 3.480 1.961 ( 4.183 1.829 -1.354) 4.762 1.992 ( 3.204 2.545 -0.102) 4.093 2.017 ( -2.720 -0.049 2.533) 3.718 2.034 ( 2.570 -0.180 7.056) 7.511 2.035 ( 3.400 0.450 3.728) 5.066 2.070 ( -4.579 2.524 3.366) 6.218 2.170 ( -2.447 -3.193 -0.502) 4.054 2.196 ( -0.830 0.641 -1.202) 1.595 2.221 ( -3.177 -1.406 -0.315) 3.488 2.244 ( -2.239 0.130 -2.914) 3.677 2.263 ( 2.661 -1.859 -2.306) 3.982 2.281 ( 2.868 -1.947 -3.673) 5.051 2.334 ( -8.431 -1.735 2.113) 8.863 2.394 ( 4.895 2.190 5.328) 7.559 2.480 ( 2.237 -2.334 2.253) 3.941 2.573 ( 5.739 -2.842 2.585) 6.906 2.614 ( -5.311 -4.642 -1.259) 7.165 2.860 ( -6.070 6.809 -3.496) 9.769 2.888 ( -8.724 3.876 -3.762) 10.261 3.034 ( 0.873 0.339 2.196) 2.387 3.212 ( 0.079 0.458 -4.052) 4.079 3.320 ( 2.767 -6.516 4.489) 8.382 3.422 ( -1.858 -1.801 4.126) 4.870 3.529 ( 0.979 -5.430 -0.768) 5.571 3.535 ( -2.933 -1.916 7.304) 8.101 3.646 ( -3.097 2.702 -1.113) 4.258 3.696 ( -6.247 -0.472 2.638) 6.797 3.829 ( -3.958 -0.878 8.003) 8.972 3.930 ( -0.067 0.584 -1.681) 1.780 4.001 ( -0.588 -0.024 5.833) 5.862 4.103 ( 1.457 0.475 -2.184) 2.668 4.166 ( 1.909 1.560 0.170) 2.472 4.240 ( 0.800 4.183 0.149) 4.262 4.352 ( -2.794 0.464 -0.326) 2.850 4.417 ( 2.474 2.708 -11.069) 11.661 4.504 ( 2.413 -7.613 1.421) 8.111 4.582 ( -4.662 -2.233 -1.113) 5.288 4.736 ( 2.968 4.248 0.020) 5.182 4.838 ( 1.601 -1.423 -4.059) 4.590 5.169 ( -0.921 0.344 0.281) 1.023 5.251 ( -3.109 -1.586 -1.683) 3.875 5.278 ( 0.115 3.767 -3.438) 5.101 5.348 ( 0.649 2.812 -7.581) 8.112 5.556 ( 2.149 -2.365 -6.228) 7.000 5.590 ( 0.697 -2.280 -4.759) 5.323 6.134 ( 1.775 2.605 5.326) 6.188 6.258 ( -0.123 -3.043 -0.833) 3.158 6.553 ( 1.633 2.993 1.709) 3.814 6.605 ( 0.552 1.063 -0.843) 1.465 6.844 ( 0.696 -1.164 2.858) 3.163 6.862 ( 1.432 -1.660 0.503) 2.249 7.014 ( 0.365 2.970 3.261) 4.426 7.067 ( 1.926 0.339 -0.767) 2.101 7.458 ( -0.124 2.068 5.783) 6.143 7.525 ( 3.136 -1.091 -0.528) 3.363 7.585 ( -0.570 4.552 -0.944) 4.683 7.676 ( -2.641 1.789 -5.374) 6.250 7.866 ( 1.021 2.404 -0.391) 2.641 7.888 ( -1.756 1.509 -0.874) 2.475 8.063 ( 1.391 0.547 -3.562) 3.863 8.079 ( -3.996 0.688 -2.433) 4.728 8.260 ( 1.341 -2.312 -0.115) 2.675 8.355 ( -2.329 -6.134 3.562) 7.466 8.394 ( -1.147 7.554 2.700) 8.103 8.656 ( -4.397 4.584 -5.319) 8.285 8.775 ( 3.411 -5.226 2.817) 6.847 8.860 ( -1.903 1.029 0.182) 2.171 8.871 ( -4.091 -1.297 2.535) 4.984 9.004 ( 2.946 -9.111 -6.248) 11.434 9.326 ( 4.828 8.944 -3.459) 10.736 9.426 ( -4.351 3.471 -2.040) 5.928 9.621 ( 3.626 -0.359 1.661) 4.004 9.660 ( 1.510 -0.657 1.057) 1.957 9.755 ( 0.819 -2.125 0.388) 2.311 9.821 ( -4.014 -3.804 0.141) 5.532 9.941 ( -0.786 2.104 2.334) 3.239 10.017 ( 1.686 -0.262 -4.649) 4.953 10.223 ( -4.857 -3.102 -1.029) 5.854 10.252 ( -4.887 -2.951 -2.432) 6.205 11.050 ( -2.329 3.408 9.467) 10.328 11.278 ( -1.702 -0.354 0.760) 1.897 11.440 ( -4.147 2.315 8.651) 9.869 11.780 ( 2.786 1.759 -0.039) 3.296 11.812 ( 3.680 -8.225 -4.409) 10.032 11.926 ( 1.199 -3.530 -4.699) 5.998 11.978 ( 6.204 -4.757 6.015) 9.864 12.107 ( 0.900 -2.215 0.282) 2.407 12.160 ( -1.795 -0.427 -0.500) 1.912 12.219 ( -2.380 -6.204 -3.827) 7.668 12.500 ( -1.537 0.273 -0.792) 1.750 12.516 ( 0.844 0.183 -3.187) 3.302 12.962 ( -1.983 -1.557 5.301) 5.870 13.042 ( -0.696 -4.237 0.031) 4.294 13.235 ( 0.822 3.135 -2.304) 3.976 13.284 ( 1.196 1.675 -4.343) 4.806 13.571 ( -1.557 15.948 4.201) 16.566 13.662 ( 1.860 10.603 -4.575) 11.697 14.389 ( -3.799 -5.548 5.051) 8.410 14.424 ( 2.479 -5.904 -2.481) 6.867 15.851 ( 1.490 3.449 1.295) 3.974 15.954 ( -1.118 0.117 -4.027) 4.181 16.124 ( 2.720 -0.773 -1.597) 3.248 16.174 ( -2.270 -1.539 -0.960) 2.906 ======================= Grid point 149 (84/96) ======================= q-point: (-0.44 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( -10.332 3.121 4.515) 11.699 1.708 ( -9.543 -0.444 1.182) 9.626 1.785 ( -0.729 2.117 2.631) 3.455 1.857 ( 1.915 0.122 4.253) 4.666 1.896 ( -4.967 1.599 2.103) 5.626 1.926 ( -0.641 1.611 1.759) 2.470 1.980 ( -1.792 3.152 0.681) 3.689 2.014 ( -3.342 0.473 2.363) 4.120 2.059 ( -0.809 -0.783 2.428) 2.676 2.091 ( 0.785 -0.116 1.674) 1.853 2.121 ( 0.685 -1.664 2.446) 3.037 2.165 ( -2.974 0.579 3.149) 4.370 2.170 ( 1.981 -2.542 2.609) 4.147 2.178 ( 1.413 -1.634 -1.233) 2.487 2.213 ( 0.669 0.702 -1.660) 1.922 2.231 ( 3.656 1.077 -2.545) 4.583 2.312 ( 4.099 -1.320 -3.924) 5.826 2.369 ( 6.471 -3.104 -1.225) 7.281 2.512 ( -0.601 -3.422 -1.741) 3.886 2.546 ( 0.443 -0.911 -2.508) 2.705 2.574 ( -1.158 0.233 -1.019) 1.560 2.615 ( 3.292 -3.161 -0.859) 4.644 2.773 ( 3.465 5.894 1.918) 7.101 2.833 ( 4.565 5.528 0.944) 7.231 3.052 ( -7.121 0.361 1.894) 7.378 3.108 ( -1.666 2.223 3.154) 4.203 3.337 ( -5.729 -11.692 5.715) 14.219 3.364 ( -6.361 -5.035 5.179) 9.625 3.531 ( 1.582 1.430 1.590) 2.660 3.589 ( 1.005 -1.816 2.622) 3.344 3.641 ( 3.111 -1.276 -0.754) 3.446 3.678 ( 1.310 -0.809 8.717) 8.852 3.803 ( -1.497 -0.150 4.371) 4.623 3.906 ( -2.508 7.662 1.397) 8.182 4.007 ( -1.959 -3.196 6.713) 7.689 4.134 ( 3.817 0.139 -4.893) 6.208 4.199 ( 0.760 -1.471 -0.482) 1.725 4.274 ( 2.591 5.248 -1.020) 5.941 4.304 ( -2.005 -1.900 -2.894) 4.001 4.376 ( -0.954 4.991 -4.393) 6.717 4.454 ( -5.432 -0.037 1.312) 5.588 4.589 ( 3.906 -7.388 -0.173) 8.359 4.791 ( 2.704 2.758 -2.293) 4.492 4.857 ( 3.934 -0.488 -7.677) 8.640 5.139 ( -2.373 -1.390 3.768) 4.665 5.183 ( -3.023 -2.016 1.049) 3.782 5.274 ( 0.245 4.189 -1.844) 4.584 5.341 ( 1.622 3.166 -5.219) 6.316 5.538 ( -2.729 -2.037 -3.071) 4.586 5.580 ( 1.892 -2.411 -4.609) 5.535 6.177 ( -0.130 1.604 5.302) 5.541 6.233 ( -2.043 -1.009 -2.597) 3.455 6.602 ( 3.080 1.476 -0.843) 3.518 6.618 ( 1.834 1.818 -3.453) 4.312 6.827 ( -3.068 -0.698 2.921) 4.293 6.860 ( -2.286 -1.473 1.703) 3.209 7.025 ( -0.976 3.213 2.326) 4.085 7.102 ( 2.310 0.315 -3.615) 4.302 7.475 ( -1.440 1.784 3.598) 4.266 7.559 ( 0.785 -1.310 0.890) 1.767 7.604 ( -1.116 3.058 -5.719) 6.580 7.614 ( 4.387 2.664 -1.906) 5.475 7.841 ( -3.302 2.169 2.160) 4.502 7.875 ( -0.290 2.301 0.805) 2.455 8.020 ( -0.278 1.298 -0.550) 1.437 8.052 ( 0.721 0.849 -2.117) 2.392 8.273 ( -3.550 -1.853 -0.066) 4.005 8.363 ( 6.742 -2.524 2.778) 7.716 8.478 ( -0.181 4.475 5.864) 7.379 8.531 ( -2.467 4.064 -3.772) 6.068 8.782 ( -3.108 1.445 1.374) 3.693 8.850 ( -1.300 -9.151 6.363) 11.222 8.887 ( 5.082 -0.011 -2.188) 5.533 9.017 ( 2.445 -8.245 -8.701) 12.234 9.311 ( -5.060 5.772 -1.423) 7.807 9.416 ( 4.804 4.519 -1.566) 6.779 9.644 ( -3.115 -1.241 -0.345) 3.371 9.665 ( -0.420 -0.888 0.806) 1.271 9.755 ( -2.511 -2.005 0.570) 3.264 9.792 ( 1.725 -2.965 2.727) 4.382 9.948 ( -0.598 2.946 1.166) 3.224 10.010 ( 0.632 -0.225 -3.258) 3.326 10.192 ( 1.618 -2.884 2.705) 4.272 10.216 ( 1.923 -3.642 -0.412) 4.139 11.083 ( -1.000 5.781 13.382) 14.612 11.193 ( -5.083 8.036 -3.648) 10.184 11.468 ( -2.189 -7.077 17.524) 19.025 11.734 ( -1.180 -10.352 -12.559) 16.318 11.864 ( 1.542 -3.174 1.797) 3.960 11.920 ( -0.273 -1.649 -4.325) 4.637 12.097 ( -1.883 -1.386 -2.531) 3.445 12.112 ( 3.163 0.759 1.142) 3.447 12.126 ( -2.109 -3.051 -0.586) 3.755 12.171 ( 1.975 -4.595 -0.179) 5.005 12.471 ( -0.458 1.831 -0.269) 1.907 12.545 ( 3.447 -1.808 -3.654) 5.339 12.959 ( -1.363 -0.943 5.582) 5.823 13.039 ( 0.255 -4.885 -0.070) 4.892 13.238 ( 0.727 2.918 -1.867) 3.539 13.286 ( 2.004 2.602 -5.099) 6.065 13.565 ( -1.687 14.408 4.261) 15.119 13.669 ( 1.628 11.102 -4.611) 12.131 14.345 ( -3.096 -3.681 4.202) 6.387 14.488 ( 5.616 -7.313 -3.348) 9.810 15.888 ( 1.347 2.688 1.931) 3.573 15.905 ( -1.717 1.619 -3.664) 4.358 16.118 ( -2.343 -0.164 -1.250) 2.661 16.190 ( 4.772 -2.696 -2.240) 5.921 ======================= Grid point 150 (85/96) ======================= q-point: (-0.33 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -11.135 3.373 8.340) 14.315 1.521 ( -10.815 0.988 3.513) 11.414 1.728 ( -8.933 0.800 8.272) 12.201 1.798 ( -4.644 2.576 6.607) 8.477 1.898 ( -6.714 -4.806 5.280) 9.801 1.911 ( -3.988 2.896 0.062) 4.929 1.920 ( -2.175 0.059 0.900) 2.355 1.980 ( 2.675 0.885 0.469) 2.857 2.053 ( 0.363 -0.520 -0.930) 1.126 2.076 ( -1.472 -2.082 -0.191) 2.557 2.144 ( -0.512 0.564 2.075) 2.211 2.175 ( 0.836 0.518 3.642) 3.772 2.200 ( 5.112 1.578 0.734) 5.400 2.260 ( 5.188 0.808 -0.376) 5.264 2.296 ( 3.182 -0.040 1.547) 3.538 2.311 ( 5.069 -1.005 -3.698) 6.354 2.364 ( 3.471 -0.165 -4.013) 5.309 2.451 ( 1.662 1.257 -8.077) 8.341 2.472 ( 2.816 -3.375 3.399) 5.556 2.510 ( -0.005 0.515 2.263) 2.320 2.602 ( 3.855 -2.523 -5.397) 7.096 2.688 ( 5.085 -1.957 -0.737) 5.498 2.807 ( -5.476 5.627 4.568) 9.084 2.988 ( 10.805 2.734 5.009) 12.220 3.000 ( -0.509 4.956 6.497) 8.187 3.127 ( -1.050 -5.396 0.587) 5.529 3.260 ( -5.737 -5.969 3.181) 8.869 3.276 ( 0.823 -11.424 3.781) 12.061 3.571 ( -1.288 3.124 7.319) 8.061 3.665 ( 3.282 -0.343 2.134) 3.929 3.676 ( -4.085 -1.095 14.295) 14.908 3.707 ( -0.309 -3.975 3.956) 5.617 3.855 ( 3.359 7.566 2.240) 8.576 3.884 ( 2.051 2.805 -2.044) 4.032 4.007 ( -1.331 -3.647 4.361) 5.838 4.159 ( -2.523 -2.825 -1.426) 4.048 4.184 ( 0.523 0.201 -3.844) 3.884 4.221 ( -1.603 -2.128 -7.344) 7.812 4.307 ( -1.048 7.983 1.188) 8.139 4.356 ( 3.073 2.702 -1.179) 4.259 4.435 ( 0.227 -0.925 2.957) 3.106 4.654 ( 2.518 -8.449 0.969) 8.869 4.790 ( 0.477 4.951 -7.739) 9.200 4.898 ( 3.453 1.424 -4.807) 6.088 5.148 ( -0.415 -2.006 8.337) 8.585 5.169 ( 0.096 -2.804 8.112) 8.584 5.271 ( 1.572 2.792 -3.669) 4.871 5.335 ( 0.480 1.468 -5.352) 5.570 5.465 ( -3.008 1.432 -1.398) 3.613 5.568 ( -0.609 -2.197 -4.912) 5.415 6.148 ( -4.323 1.197 -3.540) 5.715 6.203 ( 0.109 -0.694 4.611) 4.665 6.593 ( -1.602 5.022 -3.221) 6.177 6.674 ( 4.165 0.618 -2.308) 4.801 6.796 ( -3.926 -1.735 -0.025) 4.292 6.813 ( -0.095 -2.729 -0.254) 2.743 7.000 ( -3.173 2.832 2.420) 4.893 7.086 ( -1.403 0.621 -5.301) 5.519 7.455 ( -1.148 0.779 0.250) 1.409 7.553 ( -1.326 -1.297 -4.109) 4.508 7.590 ( 0.363 2.608 0.721) 2.730 7.671 ( 1.215 1.133 1.062) 1.971 7.803 ( -2.309 2.061 4.832) 5.738 7.870 ( -0.409 1.572 -0.094) 1.627 8.025 ( -0.290 1.872 -2.309) 2.987 8.100 ( 2.834 -0.251 4.477) 5.305 8.215 ( -4.016 3.151 2.494) 5.682 8.378 ( -1.871 5.107 -5.407) 7.669 8.487 ( 2.128 -1.329 6.652) 7.109 8.627 ( 6.248 0.938 5.608) 8.448 8.735 ( -2.315 -1.437 -0.060) 2.725 8.865 ( -0.531 -2.317 5.610) 6.093 8.948 ( 0.536 -0.510 -3.085) 3.173 9.039 ( 6.798 -0.424 -4.882) 8.380 9.237 ( -1.134 3.825 -2.743) 4.841 9.477 ( 0.972 1.561 -0.132) 1.843 9.564 ( -4.247 -3.831 -0.793) 5.774 9.654 ( 1.044 -8.322 -0.571) 8.407 9.726 ( -0.859 0.744 0.753) 1.363 9.848 ( 1.676 -3.137 4.722) 5.911 9.947 ( 1.301 2.415 -0.273) 2.757 10.045 ( 4.838 -1.189 -1.807) 5.300 10.277 ( 3.262 -1.906 2.292) 4.419 10.284 ( 4.630 -2.127 4.771) 6.980 11.080 ( -5.781 7.686 1.749) 9.775 11.154 ( -0.218 7.149 15.004) 16.622 11.503 ( -4.473 -7.700 13.618) 16.271 11.648 ( -0.801 -12.629 -8.790) 15.408 11.854 ( -3.251 -3.030 -4.952) 6.654 11.895 ( 1.095 -3.643 -0.956) 3.922 11.981 ( -4.428 0.387 -8.095) 9.235 12.091 ( -1.056 -2.976 -1.182) 3.372 12.183 ( 2.166 -0.253 0.176) 2.188 12.216 ( 1.340 -7.375 1.882) 7.729 12.484 ( 1.861 2.677 -0.271) 3.271 12.591 ( 3.029 -3.274 -1.914) 4.853 12.972 ( -0.585 0.346 5.302) 5.345 13.044 ( 0.188 -3.913 -0.120) 3.919 13.237 ( 0.223 1.953 -2.065) 2.851 13.307 ( 3.144 1.961 -5.139) 6.335 13.556 ( -1.653 14.289 3.929) 14.911 13.678 ( 2.125 14.041 -4.209) 14.812 14.329 ( -0.903 -1.586 3.545) 3.987 14.581 ( 6.458 -8.124 -5.258) 11.634 15.855 ( -1.476 2.495 -2.574) 3.877 15.920 ( 0.679 1.517 2.061) 2.648 16.075 ( -1.569 2.646 -0.821) 3.184 16.272 ( 5.631 -4.289 -4.112) 8.186 ======================= Grid point 151 (86/96) ======================= q-point: (-0.22 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -9.811 3.347 11.360) 15.379 1.365 ( -8.581 1.338 6.191) 10.665 1.622 ( -7.144 -0.708 9.309) 11.755 1.682 ( -8.437 1.597 1.837) 8.782 1.773 ( -7.800 -3.016 3.569) 9.092 1.882 ( -2.102 -1.170 3.970) 4.642 1.934 ( 1.680 -0.616 2.177) 2.818 1.970 ( -4.189 0.206 -1.978) 4.637 2.051 ( 2.729 2.239 -0.586) 3.578 2.067 ( 1.572 2.060 -3.014) 3.975 2.191 ( -0.304 2.573 3.521) 4.372 2.204 ( 1.285 -0.246 5.127) 5.292 2.290 ( -0.720 2.375 1.135) 2.729 2.302 ( 3.762 0.983 1.768) 4.271 2.338 ( 2.256 0.177 -3.732) 4.364 2.374 ( 4.508 -2.906 -3.762) 6.552 2.389 ( -1.093 0.222 -0.077) 1.118 2.484 ( 1.214 0.552 1.750) 2.200 2.515 ( 0.943 -0.662 0.206) 1.170 2.559 ( 6.623 -0.357 -1.371) 6.773 2.639 ( 5.115 1.355 2.035) 5.669 2.808 ( 1.840 -6.146 4.570) 7.877 2.866 ( 10.617 1.083 -0.983) 10.717 2.965 ( -3.084 -1.067 5.438) 6.342 3.123 ( 0.490 -1.466 1.255) 1.991 3.175 ( 5.947 -0.970 -0.382) 6.037 3.202 ( -1.187 -6.077 2.873) 6.826 3.390 ( 5.888 -3.546 1.108) 6.962 3.542 ( -5.691 4.450 11.202) 13.329 3.645 ( -7.171 0.162 10.690) 12.873 3.681 ( -2.243 0.559 11.121) 11.358 3.765 ( 2.739 -3.976 -2.075) 5.255 3.895 ( -0.531 1.481 -1.039) 1.886 3.950 ( 3.625 3.006 -3.310) 5.756 4.009 ( -0.136 -0.586 2.687) 2.754 4.086 ( -3.260 -1.817 6.247) 7.277 4.113 ( -3.174 -0.825 -0.989) 3.425 4.218 ( 4.079 -3.604 -10.142) 11.510 4.326 ( 0.569 6.011 2.745) 6.633 4.400 ( 1.419 2.970 -0.492) 3.328 4.456 ( 1.132 -2.139 1.278) 2.737 4.663 ( -1.537 -7.387 -2.347) 7.902 4.753 ( -0.330 6.980 -5.061) 8.628 4.890 ( -1.695 1.067 -4.885) 5.280 5.238 ( 1.266 -1.366 3.436) 3.908 5.246 ( 4.969 -1.468 6.291) 8.150 5.303 ( 1.498 1.150 -4.126) 4.538 5.321 ( 4.161 0.681 -2.073) 4.698 5.455 ( 2.373 1.213 8.121) 8.548 5.514 ( -1.443 -1.638 -4.184) 4.719 6.072 ( -1.124 4.125 -0.504) 4.305 6.253 ( 2.482 -3.628 5.751) 7.239 6.540 ( -2.238 5.074 -2.112) 5.934 6.636 ( -8.813 0.046 -0.603) 8.834 6.757 ( 1.946 0.807 -3.822) 4.364 6.824 ( 1.194 0.157 -4.170) 4.340 6.931 ( -4.443 -0.543 -0.699) 4.530 7.014 ( -3.228 -0.831 -3.139) 4.579 7.436 ( -0.986 0.298 -1.224) 1.600 7.490 ( -3.559 -1.246 -2.659) 4.614 7.585 ( -1.122 4.074 1.527) 4.493 7.665 ( -2.323 1.067 2.555) 3.614 7.797 ( -2.258 0.615 3.618) 4.308 7.855 ( -0.790 0.082 -2.025) 2.175 7.956 ( -3.955 4.422 -4.942) 7.722 8.068 ( -7.768 9.259 4.734) 12.980 8.231 ( 3.463 -3.545 2.992) 5.789 8.402 ( 3.442 -3.130 0.360) 4.666 8.522 ( -2.433 2.152 11.043) 11.511 8.684 ( -2.195 -4.722 -2.340) 5.709 8.778 ( 5.738 2.713 2.932) 6.992 8.898 ( 3.818 10.015 3.142) 11.170 8.967 ( 0.951 -2.042 5.360) 5.815 9.125 ( 3.162 1.320 -5.967) 6.881 9.264 ( 6.185 1.343 -1.787) 6.577 9.437 ( -3.461 -2.456 -1.604) 4.537 9.506 ( -1.416 -2.401 -1.162) 3.020 9.696 ( 2.350 -1.727 -3.435) 4.506 9.767 ( 4.919 -7.957 4.765) 10.498 9.914 ( 3.506 -0.740 4.551) 5.792 10.003 ( 4.227 -0.911 0.171) 4.328 10.156 ( 8.136 -2.765 -2.774) 9.030 10.339 ( 1.445 -0.506 2.960) 3.333 10.382 ( 2.076 -2.570 6.138) 6.971 11.004 ( -4.693 5.583 7.459) 10.432 11.232 ( -0.740 7.700 15.137) 17.000 11.441 ( -6.757 -10.054 6.755) 13.870 11.615 ( -0.302 -7.656 -3.530) 8.436 11.741 ( -4.857 -3.229 -7.654) 9.623 11.866 ( -2.635 -1.172 -9.088) 9.535 11.909 ( 0.369 -6.766 0.014) 6.776 12.064 ( -1.169 -7.329 -2.807) 7.935 12.212 ( 1.355 -0.835 2.511) 2.973 12.244 ( 0.880 -7.881 1.973) 8.171 12.529 ( 2.838 1.855 -0.076) 3.391 12.633 ( 2.096 -3.346 -0.544) 3.986 12.985 ( -1.211 1.427 4.718) 5.075 13.042 ( -0.137 -2.214 -0.654) 2.312 13.226 ( -0.222 1.142 -1.553) 1.940 13.334 ( 2.743 -1.102 -5.971) 6.662 13.551 ( -1.013 16.177 3.922) 16.676 13.704 ( 3.027 18.470 -4.288) 19.201 14.347 ( 0.663 -0.342 3.391) 3.472 14.652 ( 4.735 -8.059 -8.097) 12.366 15.832 ( 0.229 3.184 -0.858) 3.305 15.943 ( 0.708 0.681 2.733) 2.904 16.051 ( -0.933 5.344 -0.109) 5.426 16.339 ( 4.569 -5.229 -7.279) 10.060 ======================= Grid point 152 (87/96) ======================= q-point: (-0.11 0.25 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -6.029 4.157 12.474) 14.465 1.279 ( -4.720 2.009 8.588) 10.003 1.546 ( -5.266 -0.322 2.086) 5.673 1.575 ( -4.549 2.507 4.634) 6.960 1.683 ( -2.721 -4.665 4.377) 6.951 1.824 ( -5.316 -3.462 0.810) 6.396 1.911 ( 1.485 -0.442 -3.664) 3.978 1.972 ( -2.175 -4.063 1.760) 4.933 2.051 ( -0.204 3.264 1.296) 3.518 2.130 ( 1.570 1.992 1.866) 3.149 2.152 ( -2.554 4.193 2.064) 5.326 2.257 ( 0.210 -1.417 3.978) 4.228 2.294 ( -0.781 1.068 2.399) 2.739 2.314 ( 0.842 -1.100 -3.260) 3.542 2.357 ( 1.764 2.161 -0.594) 2.852 2.394 ( 1.257 -0.179 1.265) 1.792 2.428 ( 4.289 3.659 1.401) 5.809 2.533 ( 1.344 -0.398 -1.081) 1.770 2.568 ( 2.859 -4.018 2.871) 5.706 2.640 ( 0.432 -4.051 -1.206) 4.249 2.765 ( 5.821 2.545 4.474) 7.770 2.848 ( 1.520 -1.884 3.331) 4.118 2.956 ( 3.506 2.516 -0.919) 4.412 3.098 ( 0.963 2.595 -1.633) 3.214 3.121 ( 7.673 4.895 0.316) 9.107 3.215 ( 2.579 -5.333 3.674) 6.971 3.282 ( 5.472 -9.194 1.425) 10.794 3.421 ( -2.706 2.203 1.386) 3.755 3.492 ( -6.158 -3.956 1.963) 7.578 3.575 ( -5.497 -1.822 12.209) 13.512 3.689 ( -7.275 -3.597 4.312) 9.190 3.735 ( -2.446 -1.222 10.581) 10.929 3.869 ( 1.421 1.894 -7.256) 7.632 3.911 ( -2.576 2.039 -5.336) 6.267 4.029 ( 0.089 0.886 4.757) 4.840 4.117 ( 0.829 -2.194 9.087) 9.385 4.154 ( 4.104 1.353 0.709) 4.379 4.257 ( 5.159 -0.817 -6.072) 8.010 4.309 ( -2.719 1.785 -0.321) 3.268 4.410 ( -0.249 0.393 -1.819) 1.877 4.496 ( 2.312 0.722 2.503) 3.484 4.613 ( -0.813 -2.815 -2.834) 4.076 4.716 ( -1.586 4.565 -1.782) 5.150 4.810 ( -3.778 0.628 -3.134) 4.949 5.232 ( 0.628 0.739 -4.255) 4.364 5.261 ( 0.400 0.187 -7.912) 7.925 5.316 ( 0.700 -1.565 -9.332) 9.488 5.344 ( -2.471 -2.083 -4.015) 5.154 5.624 ( 12.044 0.977 11.720) 16.834 5.663 ( 11.392 -0.149 9.846) 15.058 6.147 ( 7.009 4.950 7.789) 11.589 6.323 ( -3.201 -1.718 8.480) 9.225 6.461 ( -4.161 -0.082 -1.030) 4.287 6.480 ( -4.618 -0.002 -1.617) 4.893 6.715 ( -2.913 4.110 -5.920) 7.773 6.805 ( -0.544 4.294 -2.245) 4.876 6.859 ( -0.880 -2.665 -8.907) 9.339 6.948 ( -2.891 -3.364 -0.324) 4.448 7.378 ( -7.338 1.917 2.078) 7.864 7.404 ( -2.538 0.221 -1.637) 3.028 7.578 ( -0.843 4.491 2.471) 5.195 7.634 ( -2.277 0.898 4.403) 5.037 7.745 ( -3.355 -0.724 -0.283) 3.444 7.796 ( -2.434 -1.412 -7.527) 8.036 7.903 ( 0.431 7.149 -1.411) 7.299 7.956 ( -6.093 8.787 2.689) 11.026 8.294 ( 1.533 -7.773 3.421) 8.630 8.439 ( -1.249 -8.336 2.112) 8.690 8.540 ( -0.761 4.108 8.029) 9.051 8.645 ( 0.797 -2.680 -3.308) 4.331 8.897 ( 4.737 3.557 5.579) 8.137 8.992 ( 1.103 -0.206 4.438) 4.578 9.032 ( 3.242 7.894 4.538) 9.666 9.128 ( 2.013 5.679 -5.557) 8.196 9.369 ( -3.274 -4.190 0.970) 5.405 9.389 ( 7.147 -3.039 -2.854) 8.274 9.491 ( 0.047 2.363 0.582) 2.434 9.694 ( -0.355 3.682 -3.782) 5.290 9.910 ( 6.531 -9.081 3.585) 11.747 10.026 ( 4.936 -4.833 1.991) 7.190 10.086 ( 4.543 2.211 1.775) 5.355 10.309 ( 10.332 -4.422 -5.177) 12.374 10.346 ( -2.145 0.396 1.806) 2.832 10.411 ( -2.758 -3.077 6.112) 7.378 11.006 ( -0.652 2.707 12.337) 12.647 11.263 ( -5.752 6.026 14.664) 16.865 11.382 ( -2.465 -9.519 7.429) 12.324 11.567 ( -2.113 1.186 -8.112) 8.466 11.616 ( -3.846 -6.803 -4.045) 8.800 11.789 ( -0.051 -3.839 -9.797) 10.522 11.902 ( -1.416 -9.650 1.162) 9.822 12.018 ( -1.006 -9.691 -4.787) 10.856 12.262 ( 1.349 -6.000 4.113) 7.398 12.290 ( 2.776 -6.994 2.932) 8.076 12.580 ( 2.455 0.901 0.207) 2.623 12.656 ( 0.512 -2.368 -0.435) 2.461 12.979 ( -1.826 2.309 3.983) 4.953 13.034 ( 0.158 -0.594 -1.515) 1.635 13.217 ( -0.079 0.154 -0.194) 0.260 13.336 ( 1.221 -3.344 -6.641) 7.535 13.563 ( -0.207 19.342 4.492) 19.857 13.727 ( 1.901 21.895 -5.425) 22.637 14.383 ( 0.822 -1.270 4.353) 4.608 14.658 ( 1.125 -7.486 -9.835) 12.411 15.858 ( 2.562 3.742 0.520) 4.565 15.977 ( 0.991 5.379 0.997) 5.560 16.040 ( -0.158 1.756 2.662) 3.193 16.350 ( 1.624 -5.513 -10.186) 11.695 ======================= Grid point 153 (88/96) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( -0.164 -3.249 6.000) 6.825 1.293 ( -0.164 3.249 6.000) 6.825 1.573 ( 1.275 -5.573 11.906) 13.207 1.573 ( 1.275 5.573 11.906) 13.207 1.633 ( -3.790 -5.665 -1.543) 6.988 1.633 ( -3.790 5.665 -1.543) 6.988 1.890 ( 2.088 -2.282 -7.251) 7.883 1.890 ( 2.088 2.282 -7.251) 7.883 2.100 ( -4.523 -1.794 6.183) 7.868 2.100 ( -4.523 1.794 6.183) 7.868 2.218 ( 3.343 -4.595 -1.542) 5.888 2.218 ( 3.343 4.595 -1.542) 5.888 2.307 ( -1.584 -1.873 4.315) 4.964 2.307 ( -1.584 1.873 4.315) 4.964 2.476 ( -1.009 -4.337 -0.652) 4.501 2.476 ( -1.009 4.337 -0.652) 4.501 2.499 ( 1.818 -5.126 2.241) 5.882 2.499 ( 1.818 5.126 2.241) 5.882 2.548 ( -0.371 -1.732 -3.075) 3.549 2.548 ( -0.371 1.732 -3.075) 3.549 2.928 ( 2.277 -2.842 5.444) 6.550 2.928 ( 2.277 2.842 5.444) 6.550 3.103 ( -6.435 -5.250 -0.957) 8.360 3.103 ( -6.435 5.250 -0.957) 8.360 3.199 ( 4.166 -5.992 -0.282) 7.303 3.199 ( 4.166 5.992 -0.282) 7.303 3.333 ( 4.232 -2.506 1.058) 5.031 3.333 ( 4.232 2.506 1.058) 5.031 3.398 ( -2.906 -2.503 1.014) 3.967 3.398 ( -2.906 2.503 1.014) 3.967 3.696 ( -4.045 -3.252 10.838) 12.016 3.696 ( -4.045 3.252 10.838) 12.016 3.843 ( -0.704 -1.613 -2.113) 2.750 3.843 ( -0.704 1.613 -2.113) 2.750 4.093 ( -2.017 -3.377 6.523) 7.617 4.093 ( -2.017 3.377 6.523) 7.617 4.239 ( -1.558 -1.851 -1.344) 2.767 4.239 ( -1.558 1.851 -1.344) 2.767 4.390 ( 5.689 -1.702 -6.438) 8.758 4.390 ( 5.689 1.702 -6.438) 8.758 4.598 ( 3.097 -1.255 2.858) 4.398 4.598 ( 3.097 1.255 2.858) 4.398 4.723 ( -2.853 -1.884 -1.961) 3.941 4.723 ( -2.853 1.884 -1.961) 3.941 5.205 ( -1.763 -1.175 -6.715) 7.041 5.205 ( -1.763 1.175 -6.715) 7.041 5.271 ( 2.398 -1.491 -5.684) 6.347 5.271 ( 2.398 1.491 -5.684) 6.347 5.900 ( 5.284 -0.582 2.336) 5.807 5.900 ( 5.284 0.582 2.336) 5.807 6.287 ( 0.266 -1.667 4.643) 4.940 6.287 ( 0.266 1.667 4.643) 4.940 6.441 ( 2.272 -2.483 4.713) 5.791 6.441 ( 2.272 2.483 4.713) 5.791 6.723 ( -1.740 -1.425 -9.783) 10.038 6.723 ( -1.740 1.425 -9.783) 10.038 6.867 ( 0.046 -0.864 -1.336) 1.591 6.867 ( 0.046 0.864 -1.336) 1.591 7.329 ( -3.512 -2.883 3.519) 5.747 7.329 ( -3.512 2.883 3.519) 5.747 7.607 ( -2.248 -2.316 5.356) 6.254 7.607 ( -2.248 2.316 5.356) 6.254 7.712 ( 0.231 -1.236 -3.744) 3.949 7.712 ( 0.231 1.236 -3.744) 3.949 8.031 ( -0.462 -5.450 -0.601) 5.503 8.031 ( -0.462 5.450 -0.601) 5.503 8.243 ( 0.829 -2.499 2.288) 3.488 8.243 ( 0.829 2.499 2.288) 3.488 8.635 ( 2.179 -3.351 0.137) 4.000 8.635 ( 2.179 3.351 0.137) 4.000 8.992 ( -0.086 -0.901 4.323) 4.416 8.992 ( -0.086 0.901 4.323) 4.416 9.211 ( -3.679 -7.235 2.846) 8.601 9.211 ( -3.679 7.235 2.846) 8.601 9.327 ( 3.870 -9.437 -5.881) 11.774 9.327 ( 3.870 9.437 -5.881) 11.774 9.710 ( 1.336 -6.558 1.843) 6.942 9.710 ( 1.336 6.558 1.843) 6.942 9.903 ( 0.258 -4.461 -0.108) 4.470 9.903 ( 0.258 4.461 -0.108) 4.470 10.251 ( -5.279 -3.377 6.162) 8.789 10.251 ( -5.279 3.377 6.162) 8.789 10.391 ( 6.896 -5.007 -4.798) 9.780 10.391 ( 6.896 5.007 -4.798) 9.780 11.161 ( -1.580 -7.942 15.661) 17.630 11.161 ( -1.580 7.942 15.661) 17.630 11.380 ( -2.234 -7.686 1.692) 8.181 11.380 ( -2.234 7.686 1.692) 8.181 11.613 ( -2.234 -9.128 0.565) 9.414 11.613 ( -2.234 9.128 0.565) 9.414 11.839 ( 2.228 -5.173 -10.293) 11.734 11.839 ( 2.228 5.173 -10.293) 11.734 12.270 ( 0.716 -1.552 1.812) 2.491 12.270 ( 0.716 1.552 1.812) 2.491 12.627 ( 0.106 -0.876 -0.257) 0.919 12.627 ( 0.106 0.876 -0.257) 0.919 13.023 ( -0.555 -2.671 2.440) 3.661 13.023 ( -0.555 2.671 2.440) 3.661 13.239 ( 1.088 -3.579 -4.446) 5.810 13.239 ( 1.088 3.579 -4.446) 5.810 13.884 ( 0.062 -6.677 2.721) 7.210 13.884 ( 0.062 6.677 2.721) 7.210 14.440 ( -1.223 -7.724 -4.423) 8.985 14.440 ( -1.223 7.724 -4.423) 8.985 16.011 ( 2.467 -5.528 4.265) 7.406 16.011 ( 2.467 5.528 4.265) 7.406 16.152 ( -1.107 -9.748 -8.548) 13.012 16.152 ( -1.107 9.748 -8.548) 13.012 ======================= Grid point 155 (89/96) ======================= q-point: ( 0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 2.756 -3.557 3.514) 5.710 1.342 ( 2.756 3.557 3.514) 5.710 1.598 ( 1.373 -5.112 1.884) 5.619 1.598 ( 1.373 5.112 1.884) 5.619 1.712 ( 5.590 -8.457 9.743) 14.060 1.712 ( 5.590 8.457 9.743) 14.060 1.895 ( 3.153 -3.292 -9.043) 10.127 1.895 ( 3.153 3.292 -9.043) 10.127 2.073 ( -1.751 -4.114 5.784) 7.310 2.073 ( -1.751 4.114 5.784) 7.310 2.225 ( -3.021 -2.053 -0.398) 3.675 2.225 ( -3.021 2.053 -0.398) 3.675 2.339 ( 1.540 -1.628 1.521) 2.709 2.339 ( 1.540 1.628 1.521) 2.709 2.427 ( -2.361 -6.403 0.816) 6.873 2.427 ( -2.361 6.403 0.816) 6.873 2.473 ( -2.620 -4.392 -0.229) 5.120 2.473 ( -2.620 4.392 -0.229) 5.120 2.552 ( -0.361 -4.128 -0.765) 4.214 2.552 ( -0.361 4.128 -0.765) 4.214 2.884 ( -6.660 -2.620 0.828) 7.204 2.884 ( -6.660 2.620 0.828) 7.204 3.022 ( -3.032 -3.600 1.127) 4.840 3.022 ( -3.032 3.600 1.127) 4.840 3.206 ( -6.965 -2.895 -3.437) 8.289 3.206 ( -6.965 2.895 -3.437) 8.289 3.270 ( 1.470 -7.391 0.384) 7.546 3.270 ( 1.470 7.391 0.384) 7.546 3.566 ( 9.972 -1.240 3.651) 10.691 3.566 ( 9.972 1.240 3.651) 10.691 3.667 ( -3.517 -3.495 9.904) 11.075 3.667 ( -3.517 3.495 9.904) 11.075 3.877 ( 3.229 -4.012 0.141) 5.152 3.877 ( 3.229 4.012 0.141) 5.152 4.029 ( -7.955 -1.937 7.412) 11.044 4.029 ( -7.955 1.937 7.412) 11.044 4.223 ( 1.484 -3.771 -3.436) 5.313 4.223 ( 1.484 3.771 -3.436) 5.313 4.445 ( 3.571 -1.203 -7.336) 8.247 4.445 ( 3.571 1.203 -7.336) 8.247 4.644 ( -2.167 -1.955 -4.991) 5.781 4.644 ( -2.167 1.955 -4.991) 5.781 4.687 ( 2.237 -1.450 4.369) 5.118 4.687 ( 2.237 1.450 4.369) 5.118 5.170 ( 0.666 -0.303 -2.329) 2.441 5.170 ( 0.666 0.303 -2.329) 2.441 5.306 ( 4.284 -2.959 -4.413) 6.826 5.306 ( 4.284 2.959 -4.413) 6.826 5.828 ( -6.957 -1.814 -5.183) 8.863 5.828 ( -6.957 1.814 -5.183) 8.863 6.396 ( -4.592 -2.621 -0.369) 5.301 6.396 ( -4.592 2.621 -0.369) 5.301 6.472 ( 8.910 -1.245 -2.973) 9.475 6.472 ( 8.910 1.245 -2.973) 9.475 6.669 ( 0.313 -2.588 -0.035) 2.607 6.669 ( 0.313 2.588 -0.035) 2.607 6.870 ( 0.928 -5.430 0.600) 5.541 6.870 ( 0.928 5.430 0.600) 5.541 7.344 ( 1.968 -2.076 4.987) 5.749 7.344 ( 1.968 2.076 4.987) 5.749 7.625 ( 1.089 -3.440 6.179) 7.156 7.625 ( 1.089 3.440 6.179) 7.156 7.717 ( 1.869 -2.394 -2.395) 3.868 7.717 ( 1.869 2.394 -2.395) 3.868 8.034 ( 0.404 -11.951 0.799) 11.984 8.034 ( 0.404 11.951 0.799) 11.984 8.300 ( 4.330 -8.033 -0.337) 9.132 8.300 ( 4.330 8.033 -0.337) 9.132 8.665 ( 1.851 -4.659 -3.056) 5.872 8.665 ( 1.851 4.659 -3.056) 5.872 9.004 ( -2.395 -1.246 2.916) 3.974 9.004 ( -2.395 1.246 2.916) 3.974 9.135 ( -4.219 -7.949 1.789) 9.175 9.135 ( -4.219 7.949 1.789) 9.175 9.346 ( 1.257 -10.121 -4.362) 11.092 9.346 ( 1.257 10.121 -4.362) 11.092 9.679 ( -4.322 -6.890 -1.521) 8.275 9.679 ( -4.322 6.890 -1.521) 8.275 9.882 ( -2.266 -5.621 -0.345) 6.070 9.882 ( -2.266 5.621 -0.345) 6.070 10.157 ( -6.210 -1.019 3.633) 7.267 10.157 ( -6.210 1.019 3.633) 7.267 10.467 ( 3.158 -5.957 -5.552) 8.734 10.467 ( 3.158 5.957 -5.552) 8.734 11.182 ( -4.632 -8.152 10.487) 14.067 11.182 ( -4.632 8.152 10.487) 14.067 11.423 ( 5.677 -8.070 3.368) 10.426 11.423 ( 5.677 8.070 3.368) 10.426 11.608 ( 0.440 -9.645 4.877) 10.817 11.608 ( 0.440 9.645 4.877) 10.817 11.838 ( 3.062 -6.565 -9.371) 11.844 11.838 ( 3.062 6.565 -9.371) 11.844 12.273 ( -0.884 -1.732 -0.290) 1.966 12.273 ( -0.884 1.732 -0.290) 1.966 12.614 ( -1.284 -1.027 -0.458) 1.707 12.614 ( -1.284 1.027 -0.458) 1.707 13.028 ( -0.523 -3.656 2.473) 4.445 13.028 ( -0.523 3.656 2.473) 4.445 13.243 ( 1.800 -2.683 -4.251) 5.340 13.243 ( 1.800 2.683 -4.251) 5.340 13.876 ( -2.015 -3.086 1.224) 3.883 13.876 ( -2.015 3.086 1.224) 3.883 14.398 ( -1.832 -2.787 -0.120) 3.337 14.398 ( -1.832 2.787 -0.120) 3.337 16.023 ( -2.542 -7.973 -2.135) 8.636 16.023 ( -2.542 7.973 -2.135) 8.636 16.123 ( 2.022 -5.874 -1.945) 6.509 16.123 ( 2.022 5.874 -1.945) 6.509 ======================= Grid point 157 (90/96) ======================= q-point: ( 0.22 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 6.816 -2.254 0.327) 7.186 1.440 ( 6.816 2.254 0.327) 7.186 1.694 ( 6.654 -2.458 3.382) 7.858 1.694 ( 6.654 2.458 3.382) 7.858 1.862 ( 4.484 -6.012 8.248) 11.149 1.862 ( 4.484 6.012 8.248) 11.149 1.917 ( 4.029 -3.022 -6.164) 7.960 1.917 ( 4.029 3.022 -6.164) 7.960 2.067 ( -2.083 -2.657 0.324) 3.392 2.067 ( -2.083 2.657 0.324) 3.392 2.158 ( -2.753 -2.536 3.339) 5.016 2.158 ( -2.753 2.536 3.339) 5.016 2.302 ( -4.197 -2.317 -0.774) 4.856 2.302 ( -4.197 2.317 -0.774) 4.856 2.348 ( -5.979 -0.709 -1.090) 6.119 2.348 ( -5.979 0.709 -1.090) 6.119 2.482 ( -0.687 -2.157 1.755) 2.865 2.482 ( -0.687 2.157 1.755) 2.865 2.515 ( -2.889 -4.363 0.358) 5.245 2.515 ( -2.889 4.363 0.358) 5.245 2.784 ( -5.482 -4.264 -2.471) 7.372 2.784 ( -5.482 4.264 -2.471) 7.372 2.939 ( -1.851 -6.845 -2.583) 7.546 2.939 ( -1.851 6.845 -2.583) 7.546 3.110 ( -0.578 -3.168 0.374) 3.242 3.110 ( -0.578 3.168 0.374) 3.242 3.278 ( -2.968 -6.645 2.057) 7.562 3.278 ( -2.968 6.645 2.057) 7.562 3.658 ( -3.210 -4.503 7.972) 9.702 3.658 ( -3.210 4.503 7.972) 9.702 3.740 ( 5.222 -2.424 4.875) 7.544 3.740 ( 5.222 2.424 4.875) 7.544 3.898 ( -4.551 -1.239 1.744) 5.029 3.898 ( -4.551 1.239 1.744) 5.029 3.960 ( 1.753 -1.603 1.092) 2.614 3.960 ( 1.753 1.603 1.092) 2.614 4.243 ( 2.908 -5.831 -5.557) 8.564 4.243 ( 2.908 5.831 -5.557) 8.564 4.435 ( -1.604 -1.506 -2.479) 3.315 4.435 ( -1.604 1.506 -2.479) 3.315 4.566 ( -2.436 -3.782 -3.681) 5.813 4.566 ( -2.436 3.782 -3.681) 5.813 4.753 ( 2.313 -1.014 1.864) 3.139 4.753 ( 2.313 1.014 1.864) 3.139 5.186 ( 1.302 -1.537 -0.033) 2.014 5.186 ( 1.302 1.537 -0.033) 2.014 5.370 ( 4.280 -5.453 -3.154) 7.616 5.370 ( 4.280 5.453 -3.154) 7.616 5.678 ( -4.089 -1.723 -10.997) 11.858 5.678 ( -4.089 1.723 -10.997) 11.858 6.240 ( -6.341 -6.347 -4.167) 9.892 6.240 ( -6.341 6.347 -4.167) 9.892 6.599 ( 4.024 -4.480 -0.391) 6.034 6.599 ( 4.024 4.480 -0.391) 6.034 6.688 ( -0.151 -1.422 4.273) 4.506 6.688 ( -0.151 1.422 4.273) 4.506 6.939 ( 5.238 -5.052 1.490) 7.428 6.939 ( 5.238 5.052 1.490) 7.428 7.408 ( 1.957 -1.312 3.257) 4.019 7.408 ( 1.957 1.312 3.257) 4.019 7.692 ( 2.301 -5.145 1.087) 5.740 7.692 ( 2.301 5.145 1.087) 5.740 7.764 ( 4.074 -5.112 1.701) 6.754 7.764 ( 4.074 5.112 1.701) 6.754 8.043 ( -0.137 -10.416 1.606) 10.540 8.043 ( -0.137 10.416 1.606) 10.540 8.377 ( 4.052 -8.667 -2.888) 9.993 8.377 ( 4.052 8.667 -2.888) 9.993 8.664 ( -0.625 -5.850 -3.596) 6.895 8.664 ( -0.625 5.850 -3.596) 6.895 8.893 ( -8.705 -6.510 2.434) 11.139 8.893 ( -8.705 6.510 2.434) 11.139 9.101 ( -1.926 -4.539 -2.098) 5.359 9.101 ( -1.926 4.539 -2.098) 5.359 9.367 ( 3.739 -7.300 -0.144) 8.203 9.367 ( 3.739 7.300 -0.144) 8.203 9.569 ( -4.523 -10.824 -4.361) 12.516 9.569 ( -4.523 10.824 -4.361) 12.516 9.831 ( -2.699 -7.080 -0.084) 7.577 9.831 ( -2.699 7.080 -0.084) 7.577 10.072 ( -4.412 -0.907 0.912) 4.596 10.072 ( -4.412 0.907 0.912) 4.596 10.443 ( -2.415 -3.883 -4.954) 6.741 10.443 ( -2.415 3.883 -4.954) 6.741 11.143 ( -4.259 -5.842 8.466) 11.133 11.143 ( -4.259 5.842 8.466) 11.133 11.560 ( 5.823 -2.604 3.172) 7.124 11.560 ( 5.823 2.604 3.172) 7.124 11.690 ( 5.319 -11.457 3.413) 13.085 11.690 ( 5.319 11.457 3.413) 13.085 11.841 ( 1.830 -7.594 -5.825) 9.745 11.841 ( 1.830 7.594 -5.825) 9.745 12.243 ( -1.626 -1.671 -1.319) 2.679 12.243 ( -1.626 1.671 -1.319) 2.679 12.579 ( -1.921 -1.925 -0.959) 2.884 12.579 ( -1.921 1.925 -0.959) 2.884 13.025 ( -1.465 -3.891 2.883) 5.059 13.025 ( -1.465 3.891 2.883) 5.059 13.255 ( 1.955 -1.995 -4.183) 5.030 13.255 ( 1.955 1.995 -4.183) 5.030 13.835 ( -2.476 -2.600 0.125) 3.592 13.835 ( -2.476 2.600 0.125) 3.592 14.369 ( -2.069 -2.371 2.306) 3.901 14.369 ( -2.069 2.371 2.306) 3.901 15.957 ( -2.006 -7.137 -3.462) 8.182 15.957 ( -2.006 7.137 -3.462) 8.182 16.152 ( 0.936 -5.072 -0.078) 5.158 16.152 ( 0.936 5.072 -0.078) 5.158 ======================= Grid point 159 (91/96) ======================= q-point: ( 0.33 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( 8.802 -1.499 -1.329) 9.027 1.588 ( 8.802 1.499 -1.329) 9.027 1.840 ( 5.222 -1.122 3.561) 6.420 1.840 ( 5.222 1.122 3.561) 6.420 1.941 ( 2.455 -0.997 2.930) 3.950 1.941 ( 2.455 0.997 2.930) 3.950 1.974 ( 2.682 -3.261 -1.941) 4.647 1.974 ( 2.682 3.261 -1.941) 4.647 2.023 ( -1.361 -0.818 -1.310) 2.059 2.023 ( -1.361 0.818 -1.310) 2.059 2.156 ( -2.550 -1.372 2.795) 4.024 2.156 ( -2.550 1.372 2.795) 4.024 2.221 ( -1.347 -0.591 0.860) 1.704 2.221 ( -1.347 0.591 0.860) 1.704 2.262 ( -2.284 -1.225 0.576) 2.655 2.262 ( -2.284 1.225 0.576) 2.655 2.399 ( -6.237 -4.964 -0.284) 7.977 2.399 ( -6.237 4.964 -0.284) 7.977 2.440 ( -5.936 -3.255 1.029) 6.848 2.440 ( -5.936 3.255 1.029) 6.848 2.641 ( -6.792 -5.600 -1.942) 9.014 2.641 ( -6.792 5.600 -1.942) 9.014 2.994 ( 5.231 -7.025 0.765) 8.792 2.994 ( 5.231 7.025 0.765) 8.792 3.140 ( -4.189 -6.522 -1.439) 7.884 3.140 ( -4.189 6.522 -1.439) 7.884 3.208 ( 3.452 -5.258 -0.940) 6.359 3.208 ( 3.452 5.258 -0.940) 6.359 3.599 ( -7.182 -3.182 5.008) 9.316 3.599 ( -7.182 3.182 5.008) 9.316 3.801 ( -4.854 -5.067 5.834) 9.125 3.801 ( -4.854 5.067 5.834) 9.125 3.830 ( 0.014 -3.804 2.307) 4.449 3.830 ( 0.014 3.804 2.307) 4.449 4.018 ( 3.371 -3.723 -2.155) 5.465 4.018 ( 3.371 3.723 -2.155) 5.465 4.253 ( 1.003 -3.841 -3.207) 5.103 4.253 ( 1.003 3.841 -3.207) 5.103 4.390 ( -2.174 -3.261 0.815) 4.003 4.390 ( -2.174 3.261 0.815) 4.003 4.529 ( 0.634 -6.157 -4.545) 7.679 4.529 ( 0.634 6.157 -4.545) 7.679 4.786 ( 0.412 -3.025 1.486) 3.396 4.786 ( 0.412 3.025 1.486) 3.396 5.212 ( 1.234 -3.322 -0.244) 3.552 5.212 ( 1.234 3.322 -0.244) 3.552 5.393 ( 0.491 -5.425 -7.526) 9.290 5.393 ( 0.491 5.425 -7.526) 9.290 5.571 ( -0.611 -2.636 -9.114) 9.507 5.571 ( -0.611 2.636 -9.114) 9.507 6.168 ( -0.578 -6.038 0.910) 6.133 6.168 ( -0.578 6.038 0.910) 6.133 6.613 ( -1.590 -3.375 1.899) 4.186 6.613 ( -1.590 3.375 1.899) 4.186 6.754 ( 4.735 -0.614 1.850) 5.120 6.754 ( 4.735 0.614 1.850) 5.120 7.024 ( 2.329 -2.435 2.034) 3.936 7.024 ( 2.329 2.435 2.034) 3.936 7.453 ( 1.331 -1.595 3.000) 3.649 7.453 ( 1.331 1.595 3.000) 3.649 7.705 ( -0.023 -4.660 -3.008) 5.547 7.705 ( -0.023 4.660 -3.008) 5.547 7.857 ( 3.788 -2.811 1.059) 4.834 7.857 ( 3.788 2.811 1.059) 4.834 8.057 ( 0.647 -5.987 2.719) 6.607 8.057 ( 0.647 5.987 2.719) 6.607 8.370 ( -3.299 -3.885 -6.482) 8.246 8.370 ( -3.299 3.885 -6.482) 8.246 8.602 ( -3.187 -6.662 1.526) 7.541 8.602 ( -3.187 6.662 1.526) 7.541 8.800 ( -1.827 -6.353 -0.024) 6.611 8.800 ( -1.827 6.353 -0.024) 6.611 9.009 ( -5.575 -1.083 -3.434) 6.636 9.009 ( -5.575 1.083 -3.434) 6.636 9.469 ( 2.907 -9.454 -0.994) 9.940 9.469 ( 2.907 9.454 -0.994) 9.940 9.508 ( 3.540 -4.567 -2.390) 6.253 9.508 ( 3.540 4.567 -2.390) 6.253 9.788 ( -2.107 -5.619 0.175) 6.004 9.788 ( -2.107 5.619 0.175) 6.004 10.008 ( -2.322 -1.747 -0.431) 2.938 10.008 ( -2.322 1.747 -0.431) 2.938 10.337 ( -6.090 -2.122 -3.766) 7.469 10.337 ( -6.090 2.122 -3.766) 7.469 11.131 ( -2.482 -6.356 10.475) 12.502 11.131 ( -2.482 6.356 10.475) 12.502 11.648 ( 2.681 -4.872 -4.269) 7.010 11.648 ( 2.681 4.872 -4.269) 7.010 11.776 ( 2.991 -5.866 -0.562) 6.608 11.776 ( 2.991 5.866 -0.562) 6.608 11.888 ( 4.891 -7.355 3.130) 9.372 11.888 ( 4.891 7.355 3.130) 9.372 12.205 ( -1.593 -1.221 -1.185) 2.331 12.205 ( -1.593 1.221 -1.185) 2.331 12.539 ( -1.444 -1.399 -1.887) 2.757 12.539 ( -1.444 1.399 -1.887) 2.757 13.005 ( -2.445 -3.397 3.415) 5.402 13.005 ( -2.445 3.397 3.415) 5.402 13.267 ( 1.819 -1.788 -4.285) 4.987 13.267 ( 1.819 1.788 -4.285) 4.987 13.796 ( -1.585 -2.342 -0.042) 2.828 13.796 ( -1.585 2.342 -0.042) 2.828 14.344 ( -1.886 -2.362 2.132) 3.699 14.344 ( -1.886 2.362 2.132) 3.699 15.922 ( -0.197 -5.639 -1.930) 5.963 15.922 ( -0.197 5.639 -1.930) 5.963 16.153 ( -0.307 -4.130 -1.033) 4.268 16.153 ( -0.307 4.130 -1.033) 4.268 ======================= Grid point 161 (92/96) ======================= q-point: ( 0.44 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.723 ( 5.584 -0.403 -1.534) 5.805 1.723 ( 5.584 0.403 -1.534) 5.805 1.849 ( -5.345 -3.358 1.787) 6.560 1.849 ( -5.345 3.358 1.787) 6.560 1.975 ( -1.371 -2.855 1.924) 3.706 1.975 ( -1.371 2.855 1.924) 3.706 2.005 ( 1.691 -1.783 2.858) 3.769 2.005 ( 1.691 1.783 2.858) 3.769 2.030 ( 2.585 -1.199 2.628) 3.876 2.030 ( 2.585 1.199 2.628) 3.876 2.149 ( -3.978 -2.951 1.019) 5.057 2.149 ( -3.978 2.951 1.019) 5.057 2.194 ( 2.049 -1.386 -2.716) 3.674 2.194 ( 2.049 1.386 -2.716) 3.674 2.230 ( 0.742 -1.337 -2.396) 2.842 2.230 ( 0.742 1.337 -2.396) 2.842 2.285 ( -6.572 -2.220 -0.074) 6.937 2.285 ( -6.572 2.220 -0.074) 6.937 2.454 ( 4.608 -2.824 3.751) 6.578 2.454 ( 4.608 2.824 3.751) 6.578 2.542 ( -1.151 -1.748 0.918) 2.285 2.542 ( -1.151 1.748 0.918) 2.285 2.931 ( -9.147 -1.182 -4.284) 10.169 2.931 ( -9.147 1.182 -4.284) 10.169 3.114 ( 1.980 -8.716 4.572) 10.039 3.114 ( 1.980 8.716 4.572) 10.039 3.329 ( 3.920 -6.194 -4.690) 8.702 3.329 ( 3.920 6.194 -4.690) 8.702 3.497 ( -2.709 -1.393 4.465) 5.405 3.497 ( -2.709 1.393 4.465) 5.405 3.696 ( -6.819 -1.594 1.963) 7.273 3.696 ( -6.819 1.594 1.963) 7.273 3.851 ( -1.700 -4.548 7.160) 8.651 3.851 ( -1.700 4.548 7.160) 8.651 4.061 ( 2.881 -3.778 -1.542) 4.995 4.061 ( 2.881 3.778 -1.542) 4.995 4.254 ( -1.812 -5.964 2.594) 6.751 4.254 ( -1.812 5.964 2.594) 6.751 4.370 ( 0.799 -6.965 -0.858) 7.063 4.370 ( 0.799 6.965 -0.858) 7.063 4.515 ( 0.376 -5.216 -6.630) 8.444 4.515 ( 0.376 5.216 -6.630) 8.444 4.799 ( 1.465 -2.846 -1.376) 3.484 4.799 ( 1.465 2.846 -1.376) 3.484 5.199 ( -2.380 -2.859 -1.434) 3.986 5.199 ( -2.380 2.859 -1.434) 3.986 5.356 ( 1.415 -2.899 -6.913) 7.628 5.356 ( 1.415 2.899 -6.913) 7.628 5.545 ( 0.318 -1.812 -3.393) 3.859 5.545 ( 0.318 1.812 -3.393) 3.859 6.193 ( 1.051 -3.766 2.654) 4.726 6.193 ( 1.051 3.766 2.654) 4.726 6.602 ( 0.376 -1.756 -0.233) 1.811 6.602 ( 0.376 1.756 -0.233) 1.811 6.838 ( 2.101 -0.618 2.118) 3.047 6.838 ( 2.101 0.618 2.118) 3.047 7.058 ( 0.855 -1.550 1.675) 2.437 7.058 ( 0.855 1.550 1.675) 2.437 7.496 ( 1.358 -2.036 3.078) 3.932 7.496 ( 1.358 2.036 3.078) 3.932 7.669 ( -1.092 -3.340 -4.520) 5.725 7.669 ( -1.092 3.340 -4.520) 5.725 7.898 ( 0.371 -0.935 0.406) 1.085 7.898 ( 0.371 0.935 0.406) 1.085 8.076 ( -0.417 -1.030 -1.706) 2.036 8.076 ( -0.417 1.030 -1.706) 2.036 8.258 ( -2.661 -2.916 -0.483) 3.977 8.258 ( -2.661 2.916 -0.483) 3.977 8.595 ( 0.098 -12.300 2.888) 12.635 8.595 ( 0.098 12.300 2.888) 12.635 8.783 ( -0.569 -7.622 -1.887) 7.873 8.783 ( -0.569 7.622 -1.887) 7.873 8.895 ( -3.211 -2.364 -3.654) 5.408 8.895 ( -3.211 2.364 -3.654) 5.408 9.452 ( -0.474 -2.981 -2.791) 4.111 9.452 ( -0.474 2.981 -2.791) 4.111 9.631 ( 5.321 -1.937 1.028) 5.755 9.631 ( 5.321 1.937 1.028) 5.755 9.749 ( -2.342 -2.615 0.668) 3.573 9.749 ( -2.342 2.615 0.668) 3.573 9.992 ( 0.824 -2.851 -0.485) 3.008 9.992 ( 0.824 2.851 -0.485) 3.008 10.201 ( -5.730 -1.508 -2.154) 6.304 10.201 ( -5.730 1.508 -2.154) 6.304 11.163 ( -0.858 -8.586 12.303) 15.027 11.163 ( -0.858 8.586 12.303) 15.027 11.598 ( -2.958 -12.372 -8.570) 15.338 11.598 ( -2.958 12.372 -8.570) 15.338 11.841 ( 2.078 -4.104 3.771) 5.948 11.841 ( 2.078 4.104 3.771) 5.948 12.007 ( 5.874 -5.857 1.407) 8.414 12.007 ( 5.874 5.857 1.407) 8.414 12.167 ( -1.786 -1.034 -2.006) 2.878 12.167 ( -1.786 1.034 -2.006) 2.878 12.510 ( -0.218 -0.662 -2.490) 2.586 12.510 ( -0.218 0.662 -2.490) 2.586 12.981 ( -2.014 -2.744 3.788) 5.093 12.981 ( -2.014 2.744 3.788) 5.093 13.275 ( 1.672 -1.761 -4.578) 5.182 13.275 ( 1.672 1.761 -4.578) 5.182 13.776 ( -0.805 -2.823 0.424) 2.966 13.776 ( -0.805 2.823 0.424) 2.966 14.329 ( -0.411 -1.726 0.933) 2.005 14.329 ( -0.411 1.726 0.933) 2.005 15.921 ( 0.650 -3.663 -0.938) 3.836 15.921 ( 0.650 3.663 -0.938) 3.836 16.137 ( -0.284 -2.083 -1.701) 2.705 16.137 ( -0.284 2.083 -1.701) 2.705 ======================= Grid point 163 (93/96) ======================= q-point: (-0.44 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -9.371 -3.262 3.205) 10.427 1.672 ( -9.371 3.262 3.205) 10.427 1.833 ( 0.614 -2.439 3.104) 3.995 1.833 ( 0.614 2.439 3.104) 3.995 1.944 ( -4.377 -1.781 3.852) 6.096 1.944 ( -4.377 1.781 3.852) 6.096 2.014 ( -5.795 -2.277 0.872) 6.287 2.014 ( -5.795 2.277 0.872) 6.287 2.058 ( 0.591 -2.943 1.915) 3.561 2.058 ( 0.591 2.943 1.915) 3.561 2.121 ( 5.510 -2.285 1.650) 6.189 2.121 ( 5.510 2.285 1.650) 6.189 2.167 ( -2.874 -0.191 1.276) 3.151 2.167 ( -2.874 0.191 1.276) 3.151 2.240 ( 2.041 -1.792 -2.073) 3.417 2.240 ( 2.041 1.792 -2.073) 3.417 2.311 ( 5.820 -2.108 -3.451) 7.087 2.311 ( 5.820 2.108 -3.451) 7.087 2.503 ( 4.799 -2.492 -0.266) 5.414 2.503 ( 4.799 2.492 -0.266) 5.414 2.586 ( -3.082 -1.005 -2.448) 4.063 2.586 ( -3.082 1.005 -2.448) 4.063 2.862 ( 7.332 -3.015 0.630) 7.952 2.862 ( 7.332 3.015 0.630) 7.952 3.109 ( -6.404 -6.937 6.022) 11.198 3.109 ( -6.404 6.937 6.022) 11.198 3.245 ( -7.476 -6.543 0.956) 9.981 3.245 ( -7.476 6.543 0.956) 9.981 3.555 ( 3.165 -1.370 -0.218) 3.455 3.555 ( 3.165 1.370 -0.218) 3.455 3.648 ( -0.312 -1.830 7.240) 7.475 3.648 ( -0.312 1.830 7.240) 7.475 3.858 ( -0.677 -5.590 6.109) 8.309 3.858 ( -0.677 5.590 6.109) 8.309 4.101 ( 1.832 -5.079 -2.983) 6.168 4.101 ( 1.832 5.079 -2.983) 6.168 4.212 ( -3.214 -4.167 3.423) 6.278 4.212 ( -3.214 4.167 3.423) 6.278 4.400 ( 2.586 -5.158 -5.209) 7.774 4.400 ( 2.586 5.158 -5.209) 7.774 4.475 ( -1.033 -3.522 -1.007) 3.806 4.475 ( -1.033 3.522 -1.007) 3.806 4.833 ( 3.819 -2.008 -4.734) 6.405 4.833 ( 3.819 2.008 -4.734) 6.405 5.144 ( -3.068 -1.719 2.472) 4.299 5.144 ( -3.068 1.719 2.472) 4.299 5.349 ( 0.428 -2.888 -4.829) 5.643 5.349 ( 0.428 2.888 -4.829) 5.643 5.533 ( 0.026 -1.991 -2.048) 2.857 5.533 ( 0.026 1.991 -2.048) 2.857 6.208 ( -0.892 -1.646 1.291) 2.274 6.208 ( -0.892 1.646 1.291) 2.274 6.628 ( 2.988 -0.893 -2.412) 3.942 6.628 ( 2.988 0.893 -2.412) 3.942 6.834 ( -3.451 -1.264 2.547) 4.472 6.834 ( -3.451 1.264 2.547) 4.472 7.082 ( 0.778 -2.545 -0.426) 2.695 7.082 ( 0.778 2.545 -0.426) 2.695 7.518 ( -0.821 -2.721 1.592) 3.257 7.518 ( -0.821 2.721 1.592) 3.257 7.645 ( 1.306 -0.460 -3.343) 3.618 7.645 ( 1.306 0.460 -3.343) 3.618 7.883 ( -2.357 -1.520 2.141) 3.528 7.883 ( -2.357 1.520 2.141) 3.528 8.048 ( 0.540 -1.347 -1.834) 2.339 8.048 ( 0.540 1.347 -1.834) 2.339 8.281 ( 2.696 -3.442 0.273) 4.381 8.281 ( 2.696 3.442 0.273) 4.381 8.613 ( -0.138 -6.156 3.279) 6.976 8.613 ( -0.138 6.156 3.280) 6.976 8.735 ( -2.569 -5.417 -1.067) 6.089 8.735 ( -2.569 5.417 -1.067) 6.089 8.897 ( 4.687 -2.165 -2.780) 5.864 8.897 ( 4.687 2.165 -2.780) 5.864 9.427 ( -1.323 -4.550 -0.651) 4.783 9.427 ( -1.323 4.550 -0.651) 4.783 9.636 ( -5.043 -1.085 0.710) 5.207 9.636 ( -5.043 1.085 0.710) 5.207 9.746 ( 1.434 -1.585 0.916) 2.325 9.746 ( 1.434 1.585 0.916) 2.325 9.999 ( -0.360 -1.824 -0.908) 2.069 9.999 ( -0.360 1.824 -0.908) 2.069 10.163 ( 2.696 -0.894 1.171) 3.072 10.163 ( 2.696 0.894 1.171) 3.072 11.225 ( 0.241 -8.104 10.988) 13.655 11.225 ( 0.241 8.104 10.988) 13.655 11.480 ( -5.921 -12.961 -2.492) 14.465 11.480 ( -5.921 12.961 -2.492) 14.465 11.869 ( -0.379 -2.593 0.831) 2.749 11.869 ( -0.379 2.593 0.831) 2.749 12.088 ( 0.361 -2.511 -4.008) 4.743 12.088 ( 0.361 2.511 -4.008) 4.743 12.132 ( 1.611 -0.312 -0.234) 1.658 12.132 ( 1.611 0.312 -0.234) 1.658 12.508 ( 1.444 -2.181 -2.183) 3.407 12.508 ( 1.444 2.181 -2.183) 3.407 12.977 ( -0.682 -2.327 4.016) 4.692 12.977 ( -0.682 2.327 4.016) 4.692 13.280 ( 1.607 -1.970 -4.895) 5.516 13.280 ( 1.607 1.970 -4.895) 5.516 13.768 ( -0.512 -4.354 1.111) 4.523 13.768 ( -0.512 4.354 1.111) 4.523 14.345 ( 2.152 -5.821 -0.491) 6.225 14.345 ( 2.152 5.821 -0.491) 6.225 15.923 ( -0.190 -0.456 -1.049) 1.160 15.923 ( -0.190 0.456 -1.049) 1.160 16.137 ( 1.409 -2.470 -1.650) 3.288 16.137 ( 1.409 2.470 -1.650) 3.288 ======================= Grid point 165 (94/96) ======================= q-point: (-0.33 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -10.608 -2.840 5.855) 12.445 1.507 ( -10.608 2.840 5.855) 12.445 1.777 ( -9.544 -4.938 8.151) 13.487 1.777 ( -9.544 4.938 8.151) 13.487 1.877 ( -3.822 -3.247 3.547) 6.142 1.877 ( -3.822 3.247 3.547) 6.142 1.987 ( -1.171 -2.800 -0.781) 3.134 1.987 ( -1.171 2.800 -0.781) 3.134 2.038 ( 1.715 -0.673 -0.641) 1.951 2.038 ( 1.715 0.673 -0.640) 1.951 2.162 ( 0.303 -1.196 3.292) 3.516 2.162 ( 0.303 1.196 3.292) 3.516 2.249 ( 6.020 -2.450 0.694) 6.536 2.249 ( 6.020 2.450 0.694) 6.536 2.300 ( 4.399 -0.597 -3.583) 5.705 2.300 ( 4.399 0.597 -3.583) 5.705 2.391 ( 3.212 -3.884 1.143) 5.168 2.391 ( 3.212 3.884 1.143) 5.168 2.497 ( -0.028 -3.139 -5.172) 6.050 2.497 ( -0.028 3.139 -5.172) 6.050 2.610 ( 5.230 -4.451 0.337) 6.875 2.610 ( 5.230 4.451 0.337) 6.875 2.966 ( -6.683 -9.638 2.931) 12.089 2.966 ( -6.683 9.638 2.931) 12.089 3.088 ( 6.848 -2.683 3.418) 8.110 3.088 ( 6.848 2.683 3.418) 8.110 3.134 ( -2.150 -2.654 3.697) 5.033 3.134 ( -2.150 2.654 3.697) 5.033 3.629 ( 1.675 -2.957 4.954) 6.007 3.629 ( 1.675 2.957 4.954) 6.007 3.669 ( -2.294 -0.577 11.578) 11.817 3.669 ( -2.294 0.577 11.578) 11.817 3.903 ( 3.019 -2.210 -0.561) 3.783 3.903 ( 3.019 2.210 -0.561) 3.783 4.074 ( -2.985 -7.175 0.353) 7.779 4.074 ( -2.985 7.175 0.353) 7.779 4.187 ( -0.338 -0.848 -4.904) 4.988 4.187 ( -0.338 0.848 -4.904) 4.988 4.392 ( -0.067 -2.197 -0.419) 2.237 4.392 ( -0.067 2.197 -0.419) 2.237 4.493 ( 1.816 -8.760 0.180) 8.948 4.493 ( 1.816 8.760 0.180) 8.948 4.876 ( 3.255 -3.604 -5.827) 7.585 4.876 ( 3.255 3.604 -5.827) 7.585 5.134 ( -0.492 -0.752 8.825) 8.871 5.134 ( -0.492 0.752 8.825) 8.871 5.321 ( 0.111 -2.365 -5.018) 5.548 5.321 ( 0.111 2.365 -5.018) 5.548 5.515 ( -1.040 -3.455 -2.060) 4.155 5.515 ( -1.040 3.455 -2.060) 4.155 6.178 ( -2.206 -1.867 0.283) 2.904 6.178 ( -2.206 1.867 0.283) 2.904 6.669 ( 1.879 -2.229 -2.735) 3.997 6.669 ( 1.879 2.229 -2.735) 3.997 6.776 ( -2.119 -0.471 -0.178) 2.178 6.776 ( -2.119 0.471 -0.178) 2.178 7.061 ( -2.628 -3.074 -1.592) 4.346 7.061 ( -2.628 3.074 -1.592) 4.346 7.495 ( -1.557 -3.289 -0.554) 3.681 7.495 ( -1.557 3.289 -0.554) 3.681 7.658 ( 0.417 -2.789 -0.091) 2.821 7.658 ( 0.417 2.789 -0.091) 2.821 7.853 ( -1.877 -2.620 1.740) 3.663 7.853 ( -1.877 2.620 1.740) 3.663 8.076 ( 1.447 -2.570 1.048) 3.130 8.076 ( 1.447 2.570 1.048) 3.130 8.309 ( 0.549 -7.168 -1.259) 7.298 8.309 ( 0.549 7.168 -1.259) 7.298 8.616 ( -1.659 -7.200 1.316) 7.505 8.616 ( -1.659 7.200 1.316) 7.505 8.739 ( 3.279 -8.692 4.225) 10.206 8.739 ( 3.279 8.692 4.225) 10.206 9.002 ( 7.356 -3.500 -2.123) 8.418 9.002 ( 7.356 3.500 -2.123) 8.418 9.394 ( -2.719 -12.582 2.551) 13.123 9.394 ( -2.719 12.582 2.551) 13.123 9.526 ( -5.160 -2.578 -1.234) 5.898 9.526 ( -5.160 2.578 -1.234) 5.898 9.776 ( 1.424 -4.030 1.337) 4.478 9.776 ( 1.424 4.030 1.337) 4.478 10.007 ( 2.166 -3.166 -0.202) 3.841 10.007 ( 2.166 3.166 -0.202) 3.841 10.257 ( 4.650 -0.282 3.375) 5.752 10.257 ( 4.650 0.282 3.375) 5.752 11.257 ( -2.037 -5.529 0.647) 5.928 11.257 ( -2.037 5.529 0.647) 5.928 11.389 ( -5.068 -5.594 12.837) 14.892 11.389 ( -5.068 5.594 12.837) 14.892 11.842 ( -1.832 -2.085 -3.013) 4.096 11.842 ( -1.832 2.085 -3.013) 4.096 12.018 ( -2.431 -3.052 -7.304) 8.281 12.018 ( -2.431 3.052 -7.304) 8.281 12.180 ( 1.690 -0.190 0.615) 1.809 12.180 ( 1.690 0.190 0.615) 1.809 12.536 ( 2.408 -3.080 -1.356) 4.138 12.536 ( 2.408 3.080 -1.356) 4.138 12.995 ( 0.012 -1.867 4.032) 4.443 12.995 ( 0.012 1.867 4.032) 4.443 13.280 ( 1.328 -2.804 -5.161) 6.022 13.280 ( 1.328 2.804 -5.161) 6.022 13.773 ( 0.299 -6.305 1.919) 6.597 13.773 ( 0.299 6.305 1.919) 6.597 14.399 ( 4.218 -9.916 -2.561) 11.075 14.399 ( 4.218 9.916 -2.561) 11.075 15.906 ( -0.830 -2.576 -0.560) 2.763 15.906 ( -0.830 2.576 -0.560) 2.763 16.169 ( 2.949 -6.633 -2.443) 7.659 16.169 ( 2.949 6.633 -2.443) 7.659 ======================= Grid point 167 (95/96) ======================= q-point: (-0.22 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -8.324 -2.395 6.773) 10.995 1.361 ( -8.324 2.395 6.773) 10.995 1.640 ( -9.538 -3.268 9.271) 13.697 1.640 ( -9.538 3.268 9.271) 13.697 1.809 ( -4.808 -4.830 2.117) 7.136 1.809 ( -4.808 4.830 2.117) 7.136 1.962 ( -1.475 -1.515 -0.261) 2.130 1.962 ( -1.475 1.515 -0.261) 2.130 2.085 ( 2.416 -0.742 -2.180) 3.338 2.085 ( 2.416 0.742 -2.180) 3.338 2.209 ( 2.323 -0.568 4.722) 5.293 2.209 ( 2.323 0.568 4.722) 5.293 2.313 ( 1.616 -1.307 -5.885) 6.241 2.313 ( 1.616 1.307 -5.885) 6.241 2.338 ( 2.466 -2.267 0.155) 3.353 2.338 ( 2.466 2.267 0.155) 3.353 2.439 ( 0.340 -3.935 5.706) 6.940 2.439 ( 0.340 3.935 5.706) 6.940 2.534 ( 2.965 -1.981 -1.804) 3.996 2.534 ( 2.965 1.981 -1.804) 3.996 2.700 ( 4.516 -5.176 3.548) 7.731 2.700 ( 4.516 5.176 3.548) 7.731 2.924 ( 2.804 -3.785 0.605) 4.749 2.924 ( 2.804 3.785 0.605) 4.749 3.084 ( 0.355 -2.838 1.686) 3.320 3.084 ( 0.355 2.838 1.686) 3.320 3.284 ( 5.946 -7.146 1.178) 9.371 3.284 ( 5.946 7.146 1.178) 9.371 3.614 ( -6.725 -3.131 16.241) 17.855 3.614 ( -6.725 3.131 16.241) 17.855 3.710 ( -1.490 -2.570 2.309) 3.762 3.710 ( -1.490 2.570 2.309) 3.762 3.928 ( 1.207 -2.400 -3.784) 4.641 3.928 ( 1.207 2.400 -3.784) 4.641 4.060 ( 0.596 -2.334 5.154) 5.689 4.060 ( 0.596 2.334 5.154) 5.689 4.133 ( -0.132 -4.890 -7.836) 9.237 4.133 ( -0.132 4.890 -7.836) 9.237 4.406 ( 0.211 -2.874 1.682) 3.337 4.406 ( 0.211 2.874 1.682) 3.337 4.516 ( 0.622 -8.038 0.418) 8.073 4.516 ( 0.622 8.038 0.418) 8.073 4.862 ( -1.108 -4.142 -6.380) 7.687 4.862 ( -1.108 4.142 -6.380) 7.687 5.228 ( 3.782 -0.374 5.430) 6.628 5.228 ( 3.782 0.374 5.430) 6.628 5.322 ( 2.649 -0.643 -1.950) 3.351 5.322 ( 2.649 0.643 -1.950) 3.351 5.482 ( -0.414 -1.739 0.973) 2.035 5.482 ( -0.414 1.739 0.973) 2.035 6.165 ( 0.962 -5.694 2.637) 6.349 6.165 ( 0.962 5.694 2.637) 6.349 6.617 ( -5.791 -2.677 -1.096) 6.473 6.617 ( -5.791 2.677 -1.096) 6.473 6.790 ( 3.445 -2.624 -4.078) 5.948 6.790 ( 3.445 2.624 -4.078) 5.948 6.972 ( -5.217 -3.318 -2.694) 6.744 6.972 ( -5.217 3.318 -2.694) 6.744 7.457 ( -2.036 -1.884 -1.191) 3.018 7.457 ( -2.036 1.884 -1.191) 3.018 7.653 ( -1.470 -2.575 2.040) 3.599 7.653 ( -1.470 2.575 2.040) 3.599 7.822 ( -2.081 -2.304 -1.309) 3.369 7.822 ( -2.081 2.304 -1.309) 3.369 8.080 ( -0.663 -7.168 -1.512) 7.355 8.080 ( -0.663 7.168 -1.512) 7.355 8.299 ( -2.507 -8.281 3.372) 9.286 8.299 ( -2.507 8.281 3.372) 9.286 8.586 ( -1.939 -5.311 3.008) 6.405 8.586 ( -1.939 5.311 3.008) 6.405 8.863 ( 5.632 -6.123 5.233) 9.828 8.863 ( 5.632 6.123 5.233) 9.828 9.117 ( 5.820 -5.390 -2.060) 8.196 9.117 ( 5.820 5.390 -2.060) 8.196 9.352 ( -3.139 -9.721 1.149) 10.280 9.352 ( -3.139 9.721 1.149) 10.280 9.492 ( 2.763 -4.935 1.760) 5.923 9.492 ( 2.763 4.935 1.760) 5.923 9.822 ( 2.744 -6.553 1.103) 7.189 9.822 ( 2.744 6.553 1.103) 7.189 10.075 ( 4.865 -5.709 0.889) 7.553 10.075 ( 4.865 5.709 0.889) 7.553 10.343 ( 2.061 -1.272 3.865) 4.561 10.343 ( 2.061 1.272 3.865) 4.561 11.179 ( -5.510 -13.823 3.684) 15.330 11.179 ( -5.510 13.823 3.684) 15.330 11.413 ( -2.311 -10.700 13.842) 17.647 11.413 ( -2.311 10.700 13.842) 17.647 11.769 ( -3.254 -5.501 -5.868) 8.676 11.769 ( -3.254 5.501 -5.868) 8.676 11.939 ( -1.291 -4.840 -8.775) 10.104 11.939 ( -1.291 4.840 -8.775) 10.104 12.204 ( 0.639 -0.406 1.784) 1.938 12.204 ( 0.639 0.406 1.784) 1.938 12.577 ( 2.424 -3.111 -0.550) 3.983 12.577 ( 2.424 3.111 -0.550) 3.983 13.014 ( -0.333 -1.472 3.610) 3.913 13.014 ( -0.333 1.472 3.610) 3.913 13.270 ( 0.655 -3.854 -5.196) 6.502 13.270 ( 0.655 3.854 -5.196) 6.502 13.802 ( 1.471 -8.220 2.738) 8.788 13.802 ( 1.471 8.220 2.738) 8.788 14.458 ( 3.986 -11.859 -5.297) 13.586 14.458 ( 3.986 11.859 -5.297) 13.586 15.900 ( 0.331 -3.899 1.380) 4.149 15.900 ( 0.331 3.899 1.380) 4.149 16.205 ( 2.679 -9.295 -4.774) 10.787 16.205 ( 2.679 9.295 -4.774) 10.787 ======================= Grid point 169 (96/96) ======================= q-point: (-0.11 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 95 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( -3.442 -2.209 6.650) 7.808 1.288 ( -3.442 2.209 6.650) 7.808 1.548 ( -5.477 -2.229 10.639) 12.171 1.548 ( -5.477 2.229 10.639) 12.171 1.728 ( -4.708 -6.824 -0.580) 8.310 1.728 ( -4.708 6.824 -0.580) 8.310 1.914 ( -2.076 -1.603 -2.151) 3.392 1.914 ( -2.076 1.603 -2.151) 3.392 2.117 ( 1.443 -2.978 0.514) 3.349 2.117 ( 1.443 2.978 0.514) 3.349 2.218 ( -3.337 -2.375 1.444) 4.343 2.218 ( -3.337 2.375 1.444) 4.343 2.312 ( 0.195 -0.525 1.278) 1.396 2.312 ( 0.195 0.525 1.278) 1.396 2.411 ( 5.058 -0.536 0.801) 5.149 2.411 ( 5.058 0.536 0.801) 5.149 2.467 ( 0.192 -3.788 3.609) 5.236 2.467 ( 0.192 3.788 3.609) 5.236 2.564 ( 1.546 -3.908 -2.762) 5.029 2.564 ( 1.546 3.908 -2.762) 5.029 2.819 ( 4.903 -2.475 5.997) 8.132 2.819 ( 4.903 2.475 5.997) 8.132 3.048 ( 8.997 -6.295 -1.820) 11.131 3.048 ( 8.997 6.295 -1.820) 11.131 3.142 ( 4.257 -2.342 2.179) 5.325 3.142 ( 4.257 2.342 2.179) 5.325 3.304 ( -2.898 -9.644 -1.387) 10.165 3.304 ( -2.898 9.644 -1.387) 10.165 3.538 ( -9.543 -3.844 6.381) 12.107 3.538 ( -9.543 3.844 6.381) 12.107 3.679 ( -2.572 -2.989 10.933) 11.622 3.679 ( -2.572 2.989 10.933) 11.622 3.911 ( -1.186 -1.699 -6.909) 7.213 3.911 ( -1.186 1.699 -6.909) 7.213 4.067 ( -1.046 -2.955 6.421) 7.145 4.067 ( -1.046 2.955 6.421) 7.145 4.197 ( 7.847 -3.388 -4.889) 9.846 4.197 ( 7.847 3.388 -4.889) 9.846 4.384 ( -3.298 -3.607 2.160) 5.343 4.384 ( -3.298 3.607 2.160) 5.343 4.542 ( 1.991 -3.811 0.796) 4.373 4.542 ( 1.991 3.811 0.796) 4.373 4.791 ( -2.782 -2.791 -4.186) 5.749 4.791 ( -2.782 2.791 -4.186) 5.749 5.258 ( 1.383 -1.501 -6.277) 6.600 5.258 ( 1.383 1.501 -6.277) 6.600 5.304 ( -2.562 -1.442 -6.089) 6.762 5.304 ( -2.562 1.442 -6.089) 6.762 5.648 ( 12.557 -1.419 11.079) 16.806 5.648 ( 12.557 1.419 11.079) 16.806 6.252 ( 4.076 -5.804 7.914) 10.627 6.252 ( 4.076 5.804 7.914) 10.627 6.471 ( -8.155 -0.969 -1.119) 8.288 6.471 ( -8.155 0.969 -1.119) 8.288 6.797 ( -0.455 -4.254 -7.449) 8.590 6.797 ( -0.455 4.254 -7.449) 8.590 6.883 ( -1.431 -3.990 -2.289) 4.818 6.883 ( -1.431 3.990 -2.289) 4.818 7.401 ( -3.746 -0.743 -0.659) 3.875 7.401 ( -3.746 0.743 -0.659) 3.875 7.631 ( -2.536 -1.394 3.759) 4.744 7.631 ( -2.536 1.394 3.759) 4.744 7.758 ( -2.677 -2.121 -3.839) 5.139 7.758 ( -2.677 2.121 -3.839) 5.139 8.054 ( -1.113 -5.840 -1.341) 6.094 8.054 ( -1.113 5.840 -1.341) 6.094 8.253 ( -3.480 -9.407 3.520) 10.629 8.253 ( -3.480 9.407 3.520) 10.629 8.594 ( 0.729 -2.697 3.557) 4.523 8.594 ( 0.729 2.697 3.557) 4.523 8.961 ( 1.208 -2.660 6.054) 6.722 8.961 ( 1.208 2.660 6.054) 6.722 9.202 ( 4.086 -7.570 -1.031) 8.664 9.202 ( 4.086 7.570 -1.031) 8.664 9.308 ( -0.271 -5.831 -3.036) 6.580 9.308 ( -0.271 5.831 -3.036) 6.580 9.614 ( 6.262 -12.229 4.572) 14.480 9.614 ( 6.262 12.229 4.572) 14.480 9.877 ( 2.327 -8.428 0.409) 8.753 9.877 ( 2.327 8.428 0.409) 8.753 10.193 ( 6.661 -7.457 1.760) 10.152 10.193 ( 6.661 7.457 1.760) 10.152 10.365 ( -1.414 -1.794 2.356) 3.282 10.365 ( -1.414 1.794 2.356) 3.282 11.130 ( -3.750 -11.745 11.233) 16.679 11.130 ( -3.750 11.745 11.233) 16.679 11.420 ( -3.671 -9.479 8.109) 13.003 11.420 ( -3.671 9.479 8.109) 13.003 11.676 ( -3.083 -8.474 -4.980) 10.301 11.676 ( -3.083 8.474 -4.980) 10.301 11.875 ( 0.019 -4.622 -9.918) 10.942 11.875 ( 0.019 4.622 -9.918) 10.942 12.235 ( 1.299 -1.362 2.862) 3.426 12.235 ( 1.299 1.362 2.862) 3.426 12.613 ( 1.531 -2.416 -0.205) 2.867 12.613 ( 1.531 2.416 -0.205) 2.867 13.021 ( -0.710 -1.754 2.921) 3.480 13.021 ( -0.710 1.754 2.921) 3.480 13.251 ( 0.408 -4.153 -4.856) 6.402 13.251 ( 0.408 4.153 -4.856) 6.402 13.850 ( 1.606 -8.858 3.199) 9.554 13.850 ( 1.606 8.858 3.199) 9.554 14.475 ( 1.244 -11.126 -6.661) 13.027 14.475 ( 1.244 11.126 -6.661) 13.027 15.939 ( 2.331 -4.665 3.472) 6.266 15.939 ( 2.331 4.665 3.472) 6.266 16.204 ( 0.683 -10.416 -7.395) 12.792 16.204 ( 0.683 10.416 -7.395) 12.792 =================== 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 3/27216 10.0 704.197 698.955 575.284 0.000 -3.811 0.000 3/27216 20.0 105.850 72.429 97.947 0.000 -10.908 0.000 3/27216 30.0 42.054 25.811 39.266 0.000 -5.042 0.000 3/27216 40.0 23.686 14.166 22.147 0.000 -2.894 0.000 3/27216 50.0 15.712 9.391 14.711 0.000 -1.925 0.000 3/27216 60.0 11.432 6.882 10.724 0.000 -1.401 0.000 3/27216 70.0 8.836 5.367 8.306 0.000 -1.083 0.000 3/27216 80.0 7.130 4.370 6.718 0.000 -0.874 0.000 3/27216 90.0 5.942 3.674 5.612 0.000 -0.729 0.000 3/27216 100.0 5.077 3.166 4.807 0.000 -0.623 0.000 3/27216 110.0 4.425 2.782 4.200 0.000 -0.543 0.000 3/27216 120.0 3.918 2.483 3.728 0.000 -0.481 0.000 3/27216 130.0 3.514 2.244 3.352 0.000 -0.432 0.000 3/27216 140.0 3.186 2.050 3.046 0.000 -0.392 0.000 3/27216 150.0 2.915 1.888 2.792 0.000 -0.358 0.000 3/27216 160.0 2.687 1.752 2.579 0.000 -0.330 0.000 3/27216 170.0 2.492 1.636 2.397 0.000 -0.307 0.000 3/27216 180.0 2.325 1.535 2.240 0.000 -0.286 0.000 3/27216 190.0 2.179 1.447 2.103 0.000 -0.268 0.000 3/27216 200.0 2.051 1.369 1.982 0.000 -0.253 0.000 3/27216 210.0 1.938 1.299 1.875 0.000 -0.239 0.000 3/27216 220.0 1.837 1.237 1.780 0.000 -0.226 0.000 3/27216 230.0 1.746 1.181 1.694 0.000 -0.215 0.000 3/27216 240.0 1.664 1.130 1.616 0.000 -0.205 0.000 3/27216 250.0 1.590 1.084 1.545 0.000 -0.196 0.000 3/27216 260.0 1.522 1.041 1.481 0.000 -0.188 0.000 3/27216 270.0 1.460 1.002 1.422 0.000 -0.180 0.000 3/27216 280.0 1.403 0.965 1.367 0.000 -0.173 0.000 3/27216 290.0 1.350 0.932 1.317 0.000 -0.167 0.000 3/27216 300.0 1.301 0.900 1.270 0.000 -0.161 0.000 3/27216 310.0 1.256 0.871 1.227 0.000 -0.155 0.000 3/27216 320.0 1.214 0.844 1.186 0.000 -0.150 0.000 3/27216 330.0 1.175 0.818 1.149 0.000 -0.145 0.000 3/27216 340.0 1.138 0.794 1.113 0.000 -0.141 0.000 3/27216 350.0 1.104 0.771 1.080 0.000 -0.136 0.000 3/27216 360.0 1.071 0.750 1.049 0.000 -0.132 0.000 3/27216 370.0 1.041 0.730 1.019 0.000 -0.129 0.000 3/27216 380.0 1.012 0.710 0.992 0.000 -0.125 0.000 3/27216 390.0 0.985 0.692 0.965 0.000 -0.122 0.000 3/27216 400.0 0.959 0.675 0.940 0.000 -0.118 0.000 3/27216 410.0 0.934 0.659 0.917 0.000 -0.115 0.000 3/27216 420.0 0.911 0.643 0.894 0.000 -0.113 0.000 3/27216 430.0 0.889 0.628 0.873 0.000 -0.110 0.000 3/27216 440.0 0.868 0.614 0.852 0.000 -0.107 0.000 3/27216 450.0 0.848 0.600 0.833 0.000 -0.105 0.000 3/27216 460.0 0.829 0.587 0.814 0.000 -0.102 0.000 3/27216 470.0 0.811 0.575 0.797 0.000 -0.100 0.000 3/27216 480.0 0.793 0.563 0.780 0.000 -0.098 0.000 3/27216 490.0 0.777 0.552 0.764 0.000 -0.096 0.000 3/27216 500.0 0.761 0.541 0.748 0.000 -0.094 0.000 3/27216 510.0 0.745 0.530 0.733 0.000 -0.092 0.000 3/27216 520.0 0.731 0.520 0.719 0.000 -0.090 0.000 3/27216 530.0 0.717 0.510 0.705 0.000 -0.089 0.000 3/27216 540.0 0.703 0.501 0.692 0.000 -0.087 0.000 3/27216 550.0 0.690 0.492 0.679 0.000 -0.085 0.000 3/27216 560.0 0.677 0.483 0.666 0.000 -0.084 0.000 3/27216 570.0 0.665 0.475 0.655 0.000 -0.082 0.000 3/27216 580.0 0.653 0.467 0.643 0.000 -0.081 0.000 3/27216 590.0 0.642 0.459 0.632 0.000 -0.079 0.000 3/27216 600.0 0.631 0.451 0.621 0.000 -0.078 0.000 3/27216 610.0 0.621 0.444 0.611 0.000 -0.077 0.000 3/27216 620.0 0.610 0.437 0.601 0.000 -0.075 0.000 3/27216 630.0 0.601 0.430 0.591 0.000 -0.074 0.000 3/27216 640.0 0.591 0.423 0.582 0.000 -0.073 0.000 3/27216 650.0 0.582 0.417 0.573 0.000 -0.072 0.000 3/27216 660.0 0.573 0.410 0.564 0.000 -0.071 0.000 3/27216 670.0 0.564 0.404 0.556 0.000 -0.070 0.000 3/27216 680.0 0.556 0.398 0.547 0.000 -0.069 0.000 3/27216 690.0 0.547 0.392 0.539 0.000 -0.068 0.000 3/27216 700.0 0.540 0.387 0.532 0.000 -0.067 0.000 3/27216 710.0 0.532 0.381 0.524 0.000 -0.066 0.000 3/27216 720.0 0.524 0.376 0.517 0.000 -0.065 0.000 3/27216 730.0 0.517 0.371 0.510 0.000 -0.064 0.000 3/27216 740.0 0.510 0.366 0.503 0.000 -0.063 0.000 3/27216 750.0 0.503 0.361 0.496 0.000 -0.062 0.000 3/27216 760.0 0.496 0.357 0.489 0.000 -0.061 0.000 3/27216 770.0 0.490 0.352 0.483 0.000 -0.061 0.000 3/27216 780.0 0.484 0.347 0.477 0.000 -0.060 0.000 3/27216 790.0 0.477 0.343 0.471 0.000 -0.059 0.000 3/27216 800.0 0.471 0.339 0.465 0.000 -0.058 0.000 3/27216 810.0 0.465 0.335 0.459 0.000 -0.058 0.000 3/27216 820.0 0.460 0.331 0.453 0.000 -0.057 0.000 3/27216 830.0 0.454 0.327 0.448 0.000 -0.056 0.000 3/27216 840.0 0.449 0.323 0.442 0.000 -0.055 0.000 3/27216 850.0 0.443 0.319 0.437 0.000 -0.055 0.000 3/27216 860.0 0.438 0.315 0.432 0.000 -0.054 0.000 3/27216 870.0 0.433 0.312 0.427 0.000 -0.054 0.000 3/27216 880.0 0.428 0.308 0.422 0.000 -0.053 0.000 3/27216 890.0 0.423 0.305 0.417 0.000 -0.052 0.000 3/27216 900.0 0.418 0.301 0.413 0.000 -0.052 0.000 3/27216 910.0 0.414 0.298 0.408 0.000 -0.051 0.000 3/27216 920.0 0.409 0.295 0.404 0.000 -0.051 0.000 3/27216 930.0 0.405 0.292 0.399 0.000 -0.050 0.000 3/27216 940.0 0.400 0.288 0.395 0.000 -0.050 0.000 3/27216 950.0 0.396 0.285 0.391 0.000 -0.049 0.000 3/27216 960.0 0.392 0.282 0.387 0.000 -0.048 0.000 3/27216 970.0 0.388 0.280 0.383 0.000 -0.048 0.000 3/27216 980.0 0.384 0.277 0.379 0.000 -0.047 0.000 3/27216 990.0 0.380 0.274 0.375 0.000 -0.047 0.000 3/27216 1000.0 0.376 0.271 0.371 0.000 -0.047 0.000 3/27216 Thermal conductivity related properties were written into "kappa-m947.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:30:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|