----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 19:41:49]------------------------- 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: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.341621490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.230365029999999 Atomic positions (fractional): *1 Li 0.41810820008991 0.43201976426058 0.01007456003503 6.941 2 Li 0.58189179991009 0.56798023573942 0.51007456003503 6.941 3 Li 0.91810820008991 0.06798023573942 0.01007456003503 6.941 4 Li 0.08189179991009 0.93201976426058 0.51007456003503 6.941 *5 B 0.50866658077068 0.16484243241719 0.64495306380663 10.811 6 B 0.49133341922932 0.83515756758281 0.14495306380663 10.811 7 B 0.00866658077068 0.33515756758281 0.64495306380663 10.811 8 B 0.99133341922932 0.66484243241719 0.14495306380663 10.811 *9 B 0.69509909442136 0.94099066946270 0.44942682407644 10.811 10 B 0.30490090557864 0.05900933053730 0.94942682407644 10.811 11 B 0.19509909442136 0.55900933053730 0.44942682407644 10.811 12 B 0.80490090557864 0.44099066946270 0.94942682407644 10.811 *13 B 0.65707400183567 0.24752011927565 0.26805167208824 10.811 14 B 0.34292599816433 0.75247988072435 0.76805167208824 10.811 15 B 0.15707400183567 0.25247988072435 0.26805167208824 10.811 16 B 0.84292599816433 0.74752011927565 0.76805167208824 10.811 *17 O 0.58377751155225 0.00167772903036 0.64783245583326 15.999 18 O 0.41622248844775 0.99832227096964 0.14783245583326 15.999 19 O 0.08377751155225 0.49832227096964 0.64783245583326 15.999 20 O 0.91622248844775 0.50167772903036 0.14783245583326 15.999 *21 O 0.38318308461808 0.20759475114807 0.80271984398591 15.999 22 O 0.61681691538192 0.79240524885193 0.30271984398591 15.999 23 O 0.88318308461808 0.29240524885193 0.80271984398591 15.999 24 O 0.11681691538192 0.70759475114807 0.30271984398591 15.999 *25 O 0.55824580016741 0.29889616697591 0.47117405697581 15.999 26 O 0.44175419983259 0.70110383302409 0.97117405697581 15.999 27 O 0.05824580016741 0.20110383302409 0.47117405697581 15.999 28 O 0.94175419983259 0.79889616697591 0.97117405697581 15.999 *29 O 0.74136729978236 0.08870342034706 0.26933952174440 15.999 30 O 0.25863270021764 0.91129657965294 0.76933952174440 15.999 31 O 0.24136729978236 0.41129657965294 0.26933952174440 15.999 32 O 0.75863270021764 0.58870342034706 0.76933952174440 15.999 *33 O 0.65959199862007 0.37277991974318 0.07342803145427 15.999 34 O 0.34040800137993 0.62722008025682 0.57342803145427 15.999 35 O 0.15959199862007 0.12722008025682 0.07342803145427 15.999 36 O 0.84040800137993 0.87277991974318 0.57342803145427 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.341621490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.230365029999999 Atomic positions (fractional): *1 Li 0.41810820008991 0.43201976426058 0.01007456003503 6.941 > 1 2 Li 0.58189179991009 0.56798023573942 0.51007456003503 6.941 > 2 3 Li 0.91810820008991 0.06798023573942 0.01007456003503 6.941 > 3 4 Li 0.08189179991009 0.93201976426058 0.51007456003503 6.941 > 4 *5 B 0.50866658077068 0.16484243241719 0.64495306380663 10.811 > 5 6 B 0.49133341922932 0.83515756758281 0.14495306380663 10.811 > 6 7 B 0.00866658077068 0.33515756758281 0.64495306380663 10.811 > 7 8 B 0.99133341922932 0.66484243241719 0.14495306380663 10.811 > 8 *9 B 0.69509909442136 0.94099066946270 0.44942682407644 10.811 > 9 10 B 0.30490090557864 0.05900933053730 0.94942682407644 10.811 > 10 11 B 0.19509909442136 0.55900933053730 0.44942682407644 10.811 > 11 12 B 0.80490090557864 0.44099066946270 0.94942682407644 10.811 > 12 *13 B 0.65707400183567 0.24752011927565 0.26805167208824 10.811 > 13 14 B 0.34292599816433 0.75247988072435 0.76805167208824 10.811 > 14 15 B 0.15707400183567 0.25247988072435 0.26805167208824 10.811 > 15 16 B 0.84292599816433 0.74752011927565 0.76805167208824 10.811 > 16 *17 O 0.58377751155225 0.00167772903036 0.64783245583326 15.999 > 17 18 O 0.41622248844775 0.99832227096964 0.14783245583326 15.999 > 18 19 O 0.08377751155225 0.49832227096964 0.64783245583326 15.999 > 19 20 O 0.91622248844775 0.50167772903036 0.14783245583326 15.999 > 20 *21 O 0.38318308461808 0.20759475114807 0.80271984398591 15.999 > 21 22 O 0.61681691538192 0.79240524885193 0.30271984398591 15.999 > 22 23 O 0.88318308461808 0.29240524885193 0.80271984398591 15.999 > 23 24 O 0.11681691538192 0.70759475114807 0.30271984398591 15.999 > 24 *25 O 0.55824580016741 0.29889616697591 0.47117405697581 15.999 > 25 26 O 0.44175419983259 0.70110383302409 0.97117405697581 15.999 > 26 27 O 0.05824580016741 0.20110383302409 0.47117405697581 15.999 > 27 28 O 0.94175419983259 0.79889616697591 0.97117405697581 15.999 > 28 *29 O 0.74136729978236 0.08870342034706 0.26933952174440 15.999 > 29 30 O 0.25863270021764 0.91129657965294 0.76933952174440 15.999 > 30 31 O 0.24136729978236 0.41129657965294 0.26933952174440 15.999 > 31 32 O 0.75863270021764 0.58870342034706 0.76933952174440 15.999 > 32 *33 O 0.65959199862007 0.37277991974318 0.07342803145427 15.999 > 33 34 O 0.34040800137993 0.62722008025682 0.57342803145427 15.999 > 34 35 O 0.15959199862007 0.12722008025682 0.07342803145427 15.999 > 35 36 O 0.84040800137993 0.87277991974318 0.57342803145427 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 14.683242979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.460730059999998 Atomic positions (fractional): *1 Li 0.41810820008991 0.21600988213029 0.00503728001752 6.941 > 1 2 Li 0.41810820008991 0.71600988213029 0.00503728001752 6.941 > 1 3 Li 0.41810820008991 0.21600988213029 0.50503728001752 6.941 > 1 4 Li 0.41810820008991 0.71600988213029 0.50503728001752 6.941 > 1 5 Li 0.58189179991009 0.28399011786971 0.25503728001752 6.941 > 2 6 Li 0.58189179991009 0.78399011786971 0.25503728001752 6.941 > 2 7 Li 0.58189179991009 0.28399011786971 0.75503728001752 6.941 > 2 8 Li 0.58189179991009 0.78399011786971 0.75503728001752 6.941 > 2 9 Li 0.91810820008991 0.03399011786971 0.00503728001752 6.941 > 3 10 Li 0.91810820008991 0.53399011786971 0.00503728001752 6.941 > 3 11 Li 0.91810820008991 0.03399011786971 0.50503728001752 6.941 > 3 12 Li 0.91810820008991 0.53399011786971 0.50503728001752 6.941 > 3 13 Li 0.08189179991009 0.46600988213029 0.25503728001752 6.941 > 4 14 Li 0.08189179991009 0.96600988213029 0.25503728001752 6.941 > 4 15 Li 0.08189179991009 0.46600988213029 0.75503728001752 6.941 > 4 16 Li 0.08189179991009 0.96600988213029 0.75503728001752 6.941 > 4 *17 B 0.50866658077068 0.08242121620860 0.32247653190331 10.811 > 5 18 B 0.50866658077068 0.58242121620860 0.32247653190331 10.811 > 5 19 B 0.50866658077068 0.08242121620860 0.82247653190331 10.811 > 5 20 B 0.50866658077068 0.58242121620860 0.82247653190331 10.811 > 5 21 B 0.49133341922932 0.41757878379140 0.07247653190331 10.811 > 6 22 B 0.49133341922932 0.91757878379140 0.07247653190331 10.811 > 6 23 B 0.49133341922932 0.41757878379140 0.57247653190331 10.811 > 6 24 B 0.49133341922932 0.91757878379140 0.57247653190331 10.811 > 6 25 B 0.00866658077068 0.16757878379140 0.32247653190331 10.811 > 7 26 B 0.00866658077068 0.66757878379140 0.32247653190331 10.811 > 7 27 B 0.00866658077068 0.16757878379140 0.82247653190331 10.811 > 7 28 B 0.00866658077068 0.66757878379140 0.82247653190331 10.811 > 7 29 B 0.99133341922932 0.33242121620860 0.07247653190331 10.811 > 8 30 B 0.99133341922932 0.83242121620860 0.07247653190331 10.811 > 8 31 B 0.99133341922932 0.33242121620860 0.57247653190331 10.811 > 8 32 B 0.99133341922932 0.83242121620860 0.57247653190331 10.811 > 8 *33 B 0.69509909442136 0.47049533473135 0.22471341203822 10.811 > 9 34 B 0.69509909442136 0.97049533473135 0.22471341203822 10.811 > 9 35 B 0.69509909442136 0.47049533473135 0.72471341203822 10.811 > 9 36 B 0.69509909442136 0.97049533473135 0.72471341203822 10.811 > 9 37 B 0.30490090557864 0.02950466526865 0.47471341203822 10.811 > 10 38 B 0.30490090557864 0.52950466526865 0.47471341203822 10.811 > 10 39 B 0.30490090557864 0.02950466526865 0.97471341203822 10.811 > 10 40 B 0.30490090557864 0.52950466526865 0.97471341203822 10.811 > 10 41 B 0.19509909442136 0.27950466526865 0.22471341203822 10.811 > 11 42 B 0.19509909442136 0.77950466526865 0.22471341203822 10.811 > 11 43 B 0.19509909442136 0.27950466526865 0.72471341203822 10.811 > 11 44 B 0.19509909442136 0.77950466526865 0.72471341203822 10.811 > 11 45 B 0.80490090557864 0.22049533473135 0.47471341203822 10.811 > 12 46 B 0.80490090557864 0.72049533473135 0.47471341203822 10.811 > 12 47 B 0.80490090557864 0.22049533473135 0.97471341203822 10.811 > 12 48 B 0.80490090557864 0.72049533473135 0.97471341203822 10.811 > 12 *49 B 0.65707400183567 0.12376005963783 0.13402583604412 10.811 > 13 50 B 0.65707400183567 0.62376005963783 0.13402583604412 10.811 > 13 51 B 0.65707400183567 0.12376005963783 0.63402583604412 10.811 > 13 52 B 0.65707400183567 0.62376005963783 0.63402583604412 10.811 > 13 53 B 0.34292599816433 0.37623994036217 0.38402583604412 10.811 > 14 54 B 0.34292599816433 0.87623994036217 0.38402583604412 10.811 > 14 55 B 0.34292599816433 0.37623994036217 0.88402583604412 10.811 > 14 56 B 0.34292599816433 0.87623994036217 0.88402583604412 10.811 > 14 57 B 0.15707400183567 0.12623994036217 0.13402583604412 10.811 > 15 58 B 0.15707400183567 0.62623994036217 0.13402583604412 10.811 > 15 59 B 0.15707400183567 0.12623994036217 0.63402583604412 10.811 > 15 60 B 0.15707400183567 0.62623994036217 0.63402583604412 10.811 > 15 61 B 0.84292599816433 0.37376005963783 0.38402583604412 10.811 > 16 62 B 0.84292599816433 0.87376005963783 0.38402583604412 10.811 > 16 63 B 0.84292599816433 0.37376005963783 0.88402583604412 10.811 > 16 64 B 0.84292599816433 0.87376005963783 0.88402583604412 10.811 > 16 *65 O 0.58377751155225 0.00083886451518 0.32391622791663 15.999 > 17 66 O 0.58377751155225 0.50083886451518 0.32391622791663 15.999 > 17 67 O 0.58377751155225 0.00083886451518 0.82391622791663 15.999 > 17 68 O 0.58377751155225 0.50083886451518 0.82391622791663 15.999 > 17 69 O 0.41622248844775 0.49916113548482 0.07391622791663 15.999 > 18 70 O 0.41622248844775 0.99916113548482 0.07391622791663 15.999 > 18 71 O 0.41622248844775 0.49916113548482 0.57391622791663 15.999 > 18 72 O 0.41622248844775 0.99916113548482 0.57391622791663 15.999 > 18 73 O 0.08377751155225 0.24916113548482 0.32391622791663 15.999 > 19 74 O 0.08377751155225 0.74916113548482 0.32391622791663 15.999 > 19 75 O 0.08377751155225 0.24916113548482 0.82391622791663 15.999 > 19 76 O 0.08377751155225 0.74916113548482 0.82391622791663 15.999 > 19 77 O 0.91622248844775 0.25083886451518 0.07391622791663 15.999 > 20 78 O 0.91622248844775 0.75083886451518 0.07391622791663 15.999 > 20 79 O 0.91622248844775 0.25083886451518 0.57391622791663 15.999 > 20 80 O 0.91622248844775 0.75083886451518 0.57391622791663 15.999 > 20 *81 O 0.38318308461808 0.10379737557404 0.40135992199295 15.999 > 21 82 O 0.38318308461808 0.60379737557404 0.40135992199295 15.999 > 21 83 O 0.38318308461808 0.10379737557404 0.90135992199295 15.999 > 21 84 O 0.38318308461808 0.60379737557404 0.90135992199295 15.999 > 21 85 O 0.61681691538192 0.39620262442596 0.15135992199295 15.999 > 22 86 O 0.61681691538192 0.89620262442596 0.15135992199295 15.999 > 22 87 O 0.61681691538192 0.39620262442596 0.65135992199295 15.999 > 22 88 O 0.61681691538192 0.89620262442596 0.65135992199295 15.999 > 22 89 O 0.88318308461808 0.14620262442596 0.40135992199295 15.999 > 23 90 O 0.88318308461808 0.64620262442596 0.40135992199295 15.999 > 23 91 O 0.88318308461808 0.14620262442596 0.90135992199295 15.999 > 23 92 O 0.88318308461808 0.64620262442596 0.90135992199295 15.999 > 23 93 O 0.11681691538192 0.35379737557404 0.15135992199295 15.999 > 24 94 O 0.11681691538192 0.85379737557404 0.15135992199295 15.999 > 24 95 O 0.11681691538192 0.35379737557404 0.65135992199295 15.999 > 24 96 O 0.11681691538192 0.85379737557404 0.65135992199295 15.999 > 24 *97 O 0.55824580016741 0.14944808348795 0.23558702848790 15.999 > 25 98 O 0.55824580016741 0.64944808348795 0.23558702848790 15.999 > 25 99 O 0.55824580016741 0.14944808348795 0.73558702848790 15.999 > 25 100 O 0.55824580016741 0.64944808348795 0.73558702848790 15.999 > 25 101 O 0.44175419983259 0.35055191651205 0.48558702848790 15.999 > 26 102 O 0.44175419983259 0.85055191651205 0.48558702848790 15.999 > 26 103 O 0.44175419983259 0.35055191651205 0.98558702848790 15.999 > 26 104 O 0.44175419983259 0.85055191651205 0.98558702848790 15.999 > 26 105 O 0.05824580016741 0.10055191651205 0.23558702848790 15.999 > 27 106 O 0.05824580016741 0.60055191651205 0.23558702848790 15.999 > 27 107 O 0.05824580016741 0.10055191651205 0.73558702848790 15.999 > 27 108 O 0.05824580016741 0.60055191651205 0.73558702848790 15.999 > 27 109 O 0.94175419983259 0.39944808348795 0.48558702848790 15.999 > 28 110 O 0.94175419983259 0.89944808348795 0.48558702848790 15.999 > 28 111 O 0.94175419983259 0.39944808348795 0.98558702848790 15.999 > 28 112 O 0.94175419983259 0.89944808348795 0.98558702848790 15.999 > 28 *113 O 0.74136729978236 0.04435171017353 0.13466976087220 15.999 > 29 114 O 0.74136729978236 0.54435171017353 0.13466976087220 15.999 > 29 115 O 0.74136729978236 0.04435171017353 0.63466976087220 15.999 > 29 116 O 0.74136729978236 0.54435171017353 0.63466976087220 15.999 > 29 117 O 0.25863270021764 0.45564828982647 0.38466976087220 15.999 > 30 118 O 0.25863270021764 0.95564828982647 0.38466976087220 15.999 > 30 119 O 0.25863270021764 0.45564828982647 0.88466976087220 15.999 > 30 120 O 0.25863270021764 0.95564828982647 0.88466976087220 15.999 > 30 121 O 0.24136729978236 0.20564828982647 0.13466976087220 15.999 > 31 122 O 0.24136729978236 0.70564828982647 0.13466976087220 15.999 > 31 123 O 0.24136729978236 0.20564828982647 0.63466976087220 15.999 > 31 124 O 0.24136729978236 0.70564828982647 0.63466976087220 15.999 > 31 125 O 0.75863270021764 0.29435171017353 0.38466976087220 15.999 > 32 126 O 0.75863270021764 0.79435171017353 0.38466976087220 15.999 > 32 127 O 0.75863270021764 0.29435171017353 0.88466976087220 15.999 > 32 128 O 0.75863270021764 0.79435171017353 0.88466976087220 15.999 > 32 *129 O 0.65959199862007 0.18638995987159 0.03671401572714 15.999 > 33 130 O 0.65959199862007 0.68638995987159 0.03671401572714 15.999 > 33 131 O 0.65959199862007 0.18638995987159 0.53671401572714 15.999 > 33 132 O 0.65959199862007 0.68638995987159 0.53671401572714 15.999 > 33 133 O 0.34040800137993 0.31361004012841 0.28671401572714 15.999 > 34 134 O 0.34040800137993 0.81361004012841 0.28671401572714 15.999 > 34 135 O 0.34040800137993 0.31361004012841 0.78671401572714 15.999 > 34 136 O 0.34040800137993 0.81361004012841 0.78671401572714 15.999 > 34 137 O 0.15959199862007 0.06361004012841 0.03671401572714 15.999 > 35 138 O 0.15959199862007 0.56361004012841 0.03671401572714 15.999 > 35 139 O 0.15959199862007 0.06361004012841 0.53671401572714 15.999 > 35 140 O 0.15959199862007 0.56361004012841 0.53671401572714 15.999 > 35 141 O 0.84040800137993 0.43638995987159 0.28671401572714 15.999 > 36 142 O 0.84040800137993 0.93638995987159 0.28671401572714 15.999 > 36 143 O 0.84040800137993 0.43638995987159 0.78671401572714 15.999 > 36 144 O 0.84040800137993 0.93638995987159 0.78671401572714 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6024043 0.0000000 0.0000000 0.0000000 2.7685460 0.0000000 0.0000000 0.0000000 2.7206862 -------------------------- Born effective charges -------------------------- 1 Li 1.1406038 -0.0901768 -0.0465832 -0.0122370 1.2540352 -0.0208319 0.0107504 0.0046596 1.0388922 2 Li 1.1406038 -0.0901768 0.0465832 -0.0122370 1.2540352 0.0208319 -0.0107504 -0.0046596 1.0388922 3 Li 1.1406038 0.0901768 -0.0465832 0.0122370 1.2540352 0.0208319 0.0107504 -0.0046596 1.0388922 4 Li 1.1406038 0.0901768 0.0465832 0.0122370 1.2540352 -0.0208319 -0.0107504 0.0046596 1.0388922 5 B 1.9275696 -0.2466123 -0.8370413 -0.1936758 2.1501666 -0.3576490 -0.9254309 -0.2471061 2.0784210 6 B 1.9275696 -0.2466123 0.8370413 -0.1936758 2.1501666 0.3576490 0.9254309 0.2471061 2.0784210 7 B 1.9275696 0.2466123 -0.8370413 0.1936758 2.1501666 0.3576490 -0.9254309 0.2471061 2.0784210 8 B 1.9275696 0.2466123 0.8370413 0.1936758 2.1501666 -0.3576490 0.9254309 -0.2471061 2.0784210 9 B 2.4568448 0.0085860 0.2934113 -0.4272504 2.4428393 -0.2857268 0.3695459 0.0930626 2.4654649 10 B 2.4568448 0.0085860 -0.2934113 -0.4272504 2.4428393 0.2857268 -0.3695459 -0.0930626 2.4654649 11 B 2.4568448 -0.0085860 0.2934113 0.4272504 2.4428393 0.2857268 0.3695459 -0.0930626 2.4654649 12 B 2.4568448 -0.0085860 -0.2934113 0.4272504 2.4428393 -0.2857268 -0.3695459 0.0930626 2.4654649 13 B 1.5274257 -0.1781893 -0.6828185 -0.2946619 2.3426921 -0.6479851 -0.5089477 -0.5016656 2.3940790 14 B 1.5274257 -0.1781893 0.6828185 -0.2946619 2.3426921 0.6479851 0.5089477 0.5016656 2.3940790 15 B 1.5274257 0.1781893 -0.6828185 0.2946619 2.3426921 0.6479851 -0.5089477 0.5016656 2.3940790 16 B 1.5274257 0.1781893 0.6828185 0.2946619 2.3426921 -0.6479851 0.5089477 -0.5016656 2.3940790 17 O -1.4529351 0.4245450 0.4126416 0.5469098 -1.6611940 -0.1161332 0.4397001 -0.1406506 -1.3423825 18 O -1.4529351 0.4245450 -0.4126416 0.5469098 -1.6611940 0.1161332 -0.4397001 0.1406506 -1.3423825 19 O -1.4529351 -0.4245450 0.4126416 -0.5469098 -1.6611940 0.1161332 0.4397001 0.1406506 -1.3423825 20 O -1.4529351 -0.4245450 -0.4126416 -0.5469098 -1.6611940 -0.1161332 -0.4397001 -0.1406506 -1.3423825 21 O -1.6599585 -0.0734065 0.7195226 -0.0697251 -1.4266170 0.1373556 0.8004278 0.1692043 -1.6584261 22 O -1.6599585 -0.0734065 -0.7195226 -0.0697251 -1.4266170 -0.1373556 -0.8004278 -0.1692043 -1.6584261 23 O -1.6599585 0.0734065 0.7195226 0.0697251 -1.4266170 -0.1373556 0.8004278 -0.1692043 -1.6584261 24 O -1.6599585 0.0734065 -0.7195226 0.0697251 -1.4266170 0.1373556 -0.8004278 0.1692043 -1.6584261 25 O -1.2021577 -0.0865810 0.7057944 -0.1087669 -1.4526718 0.3876829 0.7564896 0.2981143 -1.8787357 26 O -1.2021577 -0.0865810 -0.7057944 -0.1087669 -1.4526718 -0.3876829 -0.7564896 -0.2981143 -1.8787357 27 O -1.2021577 0.0865810 0.7057944 0.1087669 -1.4526718 -0.3876829 0.7564896 -0.2981143 -1.8787357 28 O -1.2021577 0.0865810 -0.7057944 0.1087669 -1.4526718 0.3876829 -0.7564896 0.2981143 -1.8787357 29 O -1.2120704 0.1132350 0.2575190 0.2288084 -2.0271758 0.4930968 0.1335193 0.3992099 -1.2905958 30 O -1.2120704 0.1132350 -0.2575190 0.2288084 -2.0271758 -0.4930968 -0.1335193 -0.3992099 -1.2905958 31 O -1.2120704 -0.1132350 0.2575190 -0.2288084 -2.0271758 -0.4930968 0.1335193 -0.3992099 -1.2905958 32 O -1.2120704 -0.1132350 -0.2575190 -0.2288084 -2.0271758 0.4930968 -0.1335193 0.3992099 -1.2905958 33 O -1.5253222 -0.3514890 0.5401758 -0.3996059 -1.6220746 0.8049071 0.3991251 0.6408379 -1.8067170 34 O -1.5253222 -0.3514890 -0.5401758 -0.3996059 -1.6220746 -0.8049071 -0.3991251 -0.6408379 -1.8067170 35 O -1.5253222 0.3514890 0.5401758 0.3996059 -1.6220746 -0.8049071 0.3991251 -0.6408379 -1.8067170 36 O -1.5253222 0.3514890 -0.5401758 0.3996059 -1.6220746 0.8049071 -0.3991251 0.6408379 -1.8067170 ---------------------------------------------------------------------------- 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: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 27), data: (1296, 45) @ (45, 27) |-- (296, 283), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.856 Solver_block: 200 / 1120 - Time: 1.652 Solver_block: 300 / 1120 - Time: 1.648 Solver_block: 400 / 1120 - Time: 1.653 Solver_block: 500 / 1120 - Time: 1.654 Solver_block: 600 / 1120 - Time: 1.654 Solver_block: 700 / 1120 - Time: 1.654 Solver_block: 800 / 1120 - Time: 1.655 Solver_block: 900 / 1120 - Time: 1.653 Solver_block: 1000 / 1120 - Time: 1.652 Solver_block: 1100 / 1120 - Time: 1.652 Solver_block: 1120 / 1120 - Time: 0.500 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 19.391 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) 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: 5940 Number of blocks in projector: 5940 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 283 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 27 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1296 / 1296 (1) 286 eigenvectors found. (1) Complementary block size: 44 (1) Compute compressed projector. (1) Use standard solver. (1) 26 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 684 / 684 (1) 175 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5940, 5859), data: False |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (684, 675), data: False |-- (684, 9), data: (684, 18) @ (18, 9) |-- (184, 175), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 26), data: (1296, 44) @ (44, 26) |-- (296, 286), data: True |-- (500, 484), data: False |-- (500, 12), data: (500, 28) @ (28, 12) |-- (250, 238), data: True |-- (250, 234), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 27), data: (1296, 45) @ (45, 27) |-- (296, 283), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) 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 2026-01-07 19:43:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:43:10]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.341621490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.230365029999999 Atomic positions (fractional): 1 Li 0.41810820008991 0.43201976426058 0.01007456003503 6.941 2 Li 0.58189179991009 0.56798023573942 0.51007456003503 6.941 3 Li 0.91810820008991 0.06798023573942 0.01007456003503 6.941 4 Li 0.08189179991009 0.93201976426058 0.51007456003503 6.941 5 B 0.50866658077068 0.16484243241719 0.64495306380663 10.811 6 B 0.49133341922932 0.83515756758281 0.14495306380663 10.811 7 B 0.00866658077068 0.33515756758281 0.64495306380663 10.811 8 B 0.99133341922932 0.66484243241719 0.14495306380663 10.811 9 B 0.69509909442136 0.94099066946270 0.44942682407644 10.811 10 B 0.30490090557864 0.05900933053730 0.94942682407644 10.811 11 B 0.19509909442136 0.55900933053730 0.44942682407644 10.811 12 B 0.80490090557864 0.44099066946270 0.94942682407644 10.811 13 B 0.65707400183567 0.24752011927565 0.26805167208824 10.811 14 B 0.34292599816433 0.75247988072435 0.76805167208824 10.811 15 B 0.15707400183567 0.25247988072435 0.26805167208824 10.811 16 B 0.84292599816433 0.74752011927565 0.76805167208824 10.811 17 O 0.58377751155225 0.00167772903036 0.64783245583326 15.999 18 O 0.41622248844775 0.99832227096964 0.14783245583326 15.999 19 O 0.08377751155225 0.49832227096964 0.64783245583326 15.999 20 O 0.91622248844775 0.50167772903036 0.14783245583326 15.999 21 O 0.38318308461808 0.20759475114807 0.80271984398591 15.999 22 O 0.61681691538192 0.79240524885193 0.30271984398591 15.999 23 O 0.88318308461808 0.29240524885193 0.80271984398591 15.999 24 O 0.11681691538192 0.70759475114807 0.30271984398591 15.999 25 O 0.55824580016741 0.29889616697591 0.47117405697581 15.999 26 O 0.44175419983259 0.70110383302409 0.97117405697581 15.999 27 O 0.05824580016741 0.20110383302409 0.47117405697581 15.999 28 O 0.94175419983259 0.79889616697591 0.97117405697581 15.999 29 O 0.74136729978236 0.08870342034706 0.26933952174440 15.999 30 O 0.25863270021764 0.91129657965294 0.76933952174440 15.999 31 O 0.24136729978236 0.41129657965294 0.26933952174440 15.999 32 O 0.75863270021764 0.58870342034706 0.76933952174440 15.999 33 O 0.65959199862007 0.37277991974318 0.07342803145427 15.999 34 O 0.34040800137993 0.62722008025682 0.57342803145427 15.999 35 O 0.15959199862007 0.12722008025682 0.07342803145427 15.999 36 O 0.84040800137993 0.87277991974318 0.57342803145427 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 14.683242979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.460730059999998 Atomic positions (fractional): 1 Li 0.41810820008991 0.21600988213029 0.00503728001752 6.941 > 1 2 Li 0.41810820008991 0.71600988213029 0.00503728001752 6.941 > 1 3 Li 0.41810820008991 0.21600988213029 0.50503728001752 6.941 > 1 4 Li 0.41810820008991 0.71600988213029 0.50503728001752 6.941 > 1 5 Li 0.58189179991009 0.28399011786971 0.25503728001752 6.941 > 5 6 Li 0.58189179991009 0.78399011786971 0.25503728001752 6.941 > 5 7 Li 0.58189179991009 0.28399011786971 0.75503728001752 6.941 > 5 8 Li 0.58189179991009 0.78399011786971 0.75503728001752 6.941 > 5 9 Li 0.91810820008991 0.03399011786971 0.00503728001752 6.941 > 9 10 Li 0.91810820008991 0.53399011786971 0.00503728001752 6.941 > 9 11 Li 0.91810820008991 0.03399011786971 0.50503728001752 6.941 > 9 12 Li 0.91810820008991 0.53399011786971 0.50503728001752 6.941 > 9 13 Li 0.08189179991009 0.46600988213029 0.25503728001752 6.941 > 13 14 Li 0.08189179991009 0.96600988213029 0.25503728001752 6.941 > 13 15 Li 0.08189179991009 0.46600988213029 0.75503728001752 6.941 > 13 16 Li 0.08189179991009 0.96600988213029 0.75503728001752 6.941 > 13 17 B 0.50866658077068 0.08242121620860 0.32247653190331 10.811 > 17 18 B 0.50866658077068 0.58242121620860 0.32247653190331 10.811 > 17 19 B 0.50866658077068 0.08242121620860 0.82247653190331 10.811 > 17 20 B 0.50866658077068 0.58242121620860 0.82247653190331 10.811 > 17 21 B 0.49133341922932 0.41757878379140 0.07247653190331 10.811 > 21 22 B 0.49133341922932 0.91757878379140 0.07247653190331 10.811 > 21 23 B 0.49133341922932 0.41757878379140 0.57247653190331 10.811 > 21 24 B 0.49133341922932 0.91757878379140 0.57247653190331 10.811 > 21 25 B 0.00866658077068 0.16757878379140 0.32247653190331 10.811 > 25 26 B 0.00866658077068 0.66757878379140 0.32247653190331 10.811 > 25 27 B 0.00866658077068 0.16757878379140 0.82247653190331 10.811 > 25 28 B 0.00866658077068 0.66757878379140 0.82247653190331 10.811 > 25 29 B 0.99133341922932 0.33242121620860 0.07247653190331 10.811 > 29 30 B 0.99133341922932 0.83242121620860 0.07247653190331 10.811 > 29 31 B 0.99133341922932 0.33242121620860 0.57247653190331 10.811 > 29 32 B 0.99133341922932 0.83242121620860 0.57247653190331 10.811 > 29 33 B 0.69509909442136 0.47049533473135 0.22471341203822 10.811 > 33 34 B 0.69509909442136 0.97049533473135 0.22471341203822 10.811 > 33 35 B 0.69509909442136 0.47049533473135 0.72471341203822 10.811 > 33 36 B 0.69509909442136 0.97049533473135 0.72471341203822 10.811 > 33 37 B 0.30490090557864 0.02950466526865 0.47471341203822 10.811 > 37 38 B 0.30490090557864 0.52950466526865 0.47471341203822 10.811 > 37 39 B 0.30490090557864 0.02950466526865 0.97471341203822 10.811 > 37 40 B 0.30490090557864 0.52950466526865 0.97471341203822 10.811 > 37 41 B 0.19509909442136 0.27950466526865 0.22471341203822 10.811 > 41 42 B 0.19509909442136 0.77950466526865 0.22471341203822 10.811 > 41 43 B 0.19509909442136 0.27950466526865 0.72471341203822 10.811 > 41 44 B 0.19509909442136 0.77950466526865 0.72471341203822 10.811 > 41 45 B 0.80490090557864 0.22049533473135 0.47471341203822 10.811 > 45 46 B 0.80490090557864 0.72049533473135 0.47471341203822 10.811 > 45 47 B 0.80490090557864 0.22049533473135 0.97471341203822 10.811 > 45 48 B 0.80490090557864 0.72049533473135 0.97471341203822 10.811 > 45 49 B 0.65707400183567 0.12376005963783 0.13402583604412 10.811 > 49 50 B 0.65707400183567 0.62376005963783 0.13402583604412 10.811 > 49 51 B 0.65707400183567 0.12376005963783 0.63402583604412 10.811 > 49 52 B 0.65707400183567 0.62376005963783 0.63402583604412 10.811 > 49 53 B 0.34292599816433 0.37623994036217 0.38402583604412 10.811 > 53 54 B 0.34292599816433 0.87623994036217 0.38402583604412 10.811 > 53 55 B 0.34292599816433 0.37623994036217 0.88402583604412 10.811 > 53 56 B 0.34292599816433 0.87623994036217 0.88402583604412 10.811 > 53 57 B 0.15707400183567 0.12623994036217 0.13402583604412 10.811 > 57 58 B 0.15707400183567 0.62623994036217 0.13402583604412 10.811 > 57 59 B 0.15707400183567 0.12623994036217 0.63402583604412 10.811 > 57 60 B 0.15707400183567 0.62623994036217 0.63402583604412 10.811 > 57 61 B 0.84292599816433 0.37376005963783 0.38402583604412 10.811 > 61 62 B 0.84292599816433 0.87376005963783 0.38402583604412 10.811 > 61 63 B 0.84292599816433 0.37376005963783 0.88402583604412 10.811 > 61 64 B 0.84292599816433 0.87376005963783 0.88402583604412 10.811 > 61 65 O 0.58377751155225 0.00083886451518 0.32391622791663 15.999 > 65 66 O 0.58377751155225 0.50083886451518 0.32391622791663 15.999 > 65 67 O 0.58377751155225 0.00083886451518 0.82391622791663 15.999 > 65 68 O 0.58377751155225 0.50083886451518 0.82391622791663 15.999 > 65 69 O 0.41622248844775 0.49916113548482 0.07391622791663 15.999 > 69 70 O 0.41622248844775 0.99916113548482 0.07391622791663 15.999 > 69 71 O 0.41622248844775 0.49916113548482 0.57391622791663 15.999 > 69 72 O 0.41622248844775 0.99916113548482 0.57391622791663 15.999 > 69 73 O 0.08377751155225 0.24916113548482 0.32391622791663 15.999 > 73 74 O 0.08377751155225 0.74916113548482 0.32391622791663 15.999 > 73 75 O 0.08377751155225 0.24916113548482 0.82391622791663 15.999 > 73 76 O 0.08377751155225 0.74916113548482 0.82391622791663 15.999 > 73 77 O 0.91622248844775 0.25083886451518 0.07391622791663 15.999 > 77 78 O 0.91622248844775 0.75083886451518 0.07391622791663 15.999 > 77 79 O 0.91622248844775 0.25083886451518 0.57391622791663 15.999 > 77 80 O 0.91622248844775 0.75083886451518 0.57391622791663 15.999 > 77 81 O 0.38318308461808 0.10379737557404 0.40135992199295 15.999 > 81 82 O 0.38318308461808 0.60379737557404 0.40135992199295 15.999 > 81 83 O 0.38318308461808 0.10379737557404 0.90135992199295 15.999 > 81 84 O 0.38318308461808 0.60379737557404 0.90135992199295 15.999 > 81 85 O 0.61681691538192 0.39620262442596 0.15135992199295 15.999 > 85 86 O 0.61681691538192 0.89620262442596 0.15135992199295 15.999 > 85 87 O 0.61681691538192 0.39620262442596 0.65135992199295 15.999 > 85 88 O 0.61681691538192 0.89620262442596 0.65135992199295 15.999 > 85 89 O 0.88318308461808 0.14620262442596 0.40135992199295 15.999 > 89 90 O 0.88318308461808 0.64620262442596 0.40135992199295 15.999 > 89 91 O 0.88318308461808 0.14620262442596 0.90135992199295 15.999 > 89 92 O 0.88318308461808 0.64620262442596 0.90135992199295 15.999 > 89 93 O 0.11681691538192 0.35379737557404 0.15135992199295 15.999 > 93 94 O 0.11681691538192 0.85379737557404 0.15135992199295 15.999 > 93 95 O 0.11681691538192 0.35379737557404 0.65135992199295 15.999 > 93 96 O 0.11681691538192 0.85379737557404 0.65135992199295 15.999 > 93 97 O 0.55824580016741 0.14944808348795 0.23558702848790 15.999 > 97 98 O 0.55824580016741 0.64944808348795 0.23558702848790 15.999 > 97 99 O 0.55824580016741 0.14944808348795 0.73558702848790 15.999 > 97 100 O 0.55824580016741 0.64944808348795 0.73558702848790 15.999 > 97 101 O 0.44175419983259 0.35055191651205 0.48558702848790 15.999 > 101 102 O 0.44175419983259 0.85055191651205 0.48558702848790 15.999 > 101 103 O 0.44175419983259 0.35055191651205 0.98558702848790 15.999 > 101 104 O 0.44175419983259 0.85055191651205 0.98558702848790 15.999 > 101 105 O 0.05824580016741 0.10055191651205 0.23558702848790 15.999 > 105 106 O 0.05824580016741 0.60055191651205 0.23558702848790 15.999 > 105 107 O 0.05824580016741 0.10055191651205 0.73558702848790 15.999 > 105 108 O 0.05824580016741 0.60055191651205 0.73558702848790 15.999 > 105 109 O 0.94175419983259 0.39944808348795 0.48558702848790 15.999 > 109 110 O 0.94175419983259 0.89944808348795 0.48558702848790 15.999 > 109 111 O 0.94175419983259 0.39944808348795 0.98558702848790 15.999 > 109 112 O 0.94175419983259 0.89944808348795 0.98558702848790 15.999 > 109 113 O 0.74136729978236 0.04435171017353 0.13466976087220 15.999 > 113 114 O 0.74136729978236 0.54435171017353 0.13466976087220 15.999 > 113 115 O 0.74136729978236 0.04435171017353 0.63466976087220 15.999 > 113 116 O 0.74136729978236 0.54435171017353 0.63466976087220 15.999 > 113 117 O 0.25863270021764 0.45564828982647 0.38466976087220 15.999 > 117 118 O 0.25863270021764 0.95564828982647 0.38466976087220 15.999 > 117 119 O 0.25863270021764 0.45564828982647 0.88466976087220 15.999 > 117 120 O 0.25863270021764 0.95564828982647 0.88466976087220 15.999 > 117 121 O 0.24136729978236 0.20564828982647 0.13466976087220 15.999 > 121 122 O 0.24136729978236 0.70564828982647 0.13466976087220 15.999 > 121 123 O 0.24136729978236 0.20564828982647 0.63466976087220 15.999 > 121 124 O 0.24136729978236 0.70564828982647 0.63466976087220 15.999 > 121 125 O 0.75863270021764 0.29435171017353 0.38466976087220 15.999 > 125 126 O 0.75863270021764 0.79435171017353 0.38466976087220 15.999 > 125 127 O 0.75863270021764 0.29435171017353 0.88466976087220 15.999 > 125 128 O 0.75863270021764 0.79435171017353 0.88466976087220 15.999 > 125 129 O 0.65959199862007 0.18638995987159 0.03671401572714 15.999 > 129 130 O 0.65959199862007 0.68638995987159 0.03671401572714 15.999 > 129 131 O 0.65959199862007 0.18638995987159 0.53671401572714 15.999 > 129 132 O 0.65959199862007 0.68638995987159 0.53671401572714 15.999 > 129 133 O 0.34040800137993 0.31361004012841 0.28671401572714 15.999 > 133 134 O 0.34040800137993 0.81361004012841 0.28671401572714 15.999 > 133 135 O 0.34040800137993 0.31361004012841 0.78671401572714 15.999 > 133 136 O 0.34040800137993 0.81361004012841 0.78671401572714 15.999 > 133 137 O 0.15959199862007 0.06361004012841 0.03671401572714 15.999 > 137 138 O 0.15959199862007 0.56361004012841 0.03671401572714 15.999 > 137 139 O 0.15959199862007 0.06361004012841 0.53671401572714 15.999 > 137 140 O 0.15959199862007 0.56361004012841 0.53671401572714 15.999 > 137 141 O 0.84040800137993 0.43638995987159 0.28671401572714 15.999 > 141 142 O 0.84040800137993 0.93638995987159 0.28671401572714 15.999 > 141 143 O 0.84040800137993 0.43638995987159 0.78671401572714 15.999 > 141 144 O 0.84040800137993 0.93638995987159 0.78671401572714 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.6024043 0.0000000 0.0000000 0.0000000 2.7685460 0.0000000 0.0000000 0.0000000 2.7206862 -------------------------- Born effective charges -------------------------- 1 Li 1.1406038 -0.0901768 -0.0465832 -0.0122370 1.2540352 -0.0208319 0.0107504 0.0046596 1.0388922 2 Li 1.1406038 -0.0901768 0.0465832 -0.0122370 1.2540352 0.0208319 -0.0107504 -0.0046596 1.0388922 3 Li 1.1406038 0.0901768 -0.0465832 0.0122370 1.2540352 0.0208319 0.0107504 -0.0046596 1.0388922 4 Li 1.1406038 0.0901768 0.0465832 0.0122370 1.2540352 -0.0208319 -0.0107504 0.0046596 1.0388922 5 B 1.9275696 -0.2466123 -0.8370413 -0.1936758 2.1501666 -0.3576490 -0.9254309 -0.2471061 2.0784210 6 B 1.9275696 -0.2466123 0.8370413 -0.1936758 2.1501666 0.3576490 0.9254309 0.2471061 2.0784210 7 B 1.9275696 0.2466123 -0.8370413 0.1936758 2.1501666 0.3576490 -0.9254309 0.2471061 2.0784210 8 B 1.9275696 0.2466123 0.8370413 0.1936758 2.1501666 -0.3576490 0.9254309 -0.2471061 2.0784210 9 B 2.4568448 0.0085860 0.2934113 -0.4272504 2.4428393 -0.2857268 0.3695459 0.0930626 2.4654649 10 B 2.4568448 0.0085860 -0.2934113 -0.4272504 2.4428393 0.2857268 -0.3695459 -0.0930626 2.4654649 11 B 2.4568448 -0.0085860 0.2934113 0.4272504 2.4428393 0.2857268 0.3695459 -0.0930626 2.4654649 12 B 2.4568448 -0.0085860 -0.2934113 0.4272504 2.4428393 -0.2857268 -0.3695459 0.0930626 2.4654649 13 B 1.5274257 -0.1781893 -0.6828185 -0.2946619 2.3426921 -0.6479851 -0.5089477 -0.5016656 2.3940790 14 B 1.5274257 -0.1781893 0.6828185 -0.2946619 2.3426921 0.6479851 0.5089477 0.5016656 2.3940790 15 B 1.5274257 0.1781893 -0.6828185 0.2946619 2.3426921 0.6479851 -0.5089477 0.5016656 2.3940790 16 B 1.5274257 0.1781893 0.6828185 0.2946619 2.3426921 -0.6479851 0.5089477 -0.5016656 2.3940790 17 O -1.4529351 0.4245450 0.4126416 0.5469098 -1.6611940 -0.1161332 0.4397001 -0.1406506 -1.3423825 18 O -1.4529351 0.4245450 -0.4126416 0.5469098 -1.6611940 0.1161332 -0.4397001 0.1406506 -1.3423825 19 O -1.4529351 -0.4245450 0.4126416 -0.5469098 -1.6611940 0.1161332 0.4397001 0.1406506 -1.3423825 20 O -1.4529351 -0.4245450 -0.4126416 -0.5469098 -1.6611940 -0.1161332 -0.4397001 -0.1406506 -1.3423825 21 O -1.6599585 -0.0734065 0.7195226 -0.0697251 -1.4266170 0.1373556 0.8004278 0.1692043 -1.6584261 22 O -1.6599585 -0.0734065 -0.7195226 -0.0697251 -1.4266170 -0.1373556 -0.8004278 -0.1692043 -1.6584261 23 O -1.6599585 0.0734065 0.7195226 0.0697251 -1.4266170 -0.1373556 0.8004278 -0.1692043 -1.6584261 24 O -1.6599585 0.0734065 -0.7195226 0.0697251 -1.4266170 0.1373556 -0.8004278 0.1692043 -1.6584261 25 O -1.2021577 -0.0865810 0.7057944 -0.1087669 -1.4526718 0.3876829 0.7564896 0.2981143 -1.8787357 26 O -1.2021577 -0.0865810 -0.7057944 -0.1087669 -1.4526718 -0.3876829 -0.7564896 -0.2981143 -1.8787357 27 O -1.2021577 0.0865810 0.7057944 0.1087669 -1.4526718 -0.3876829 0.7564896 -0.2981143 -1.8787357 28 O -1.2021577 0.0865810 -0.7057944 0.1087669 -1.4526718 0.3876829 -0.7564896 0.2981143 -1.8787357 29 O -1.2120704 0.1132350 0.2575190 0.2288084 -2.0271758 0.4930968 0.1335193 0.3992099 -1.2905958 30 O -1.2120704 0.1132350 -0.2575190 0.2288084 -2.0271758 -0.4930968 -0.1335193 -0.3992099 -1.2905958 31 O -1.2120704 -0.1132350 0.2575190 -0.2288084 -2.0271758 -0.4930968 0.1335193 -0.3992099 -1.2905958 32 O -1.2120704 -0.1132350 -0.2575190 -0.2288084 -2.0271758 0.4930968 -0.1335193 0.3992099 -1.2905958 33 O -1.5253222 -0.3514890 0.5401758 -0.3996059 -1.6220746 0.8049071 0.3991251 0.6408379 -1.8067170 34 O -1.5253222 -0.3514890 -0.5401758 -0.3996059 -1.6220746 -0.8049071 -0.3991251 -0.6408379 -1.8067170 35 O -1.5253222 0.3514890 0.5401758 0.3996059 -1.6220746 -0.8049071 0.3991251 -0.6408379 -1.8067170 36 O -1.5253222 0.3514890 -0.5401758 0.3996059 -1.6220746 0.8049071 -0.3991251 0.6408379 -1.8067170 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 129, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xyy) -0.00000001 (xyy) -0.00000001 (xyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 2026-01-07 19:44:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 19:44:13]------------------------- 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): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 7.341621490000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.230365029999999 Atomic positions (fractional): 1 Li 0.41810820008991 0.43201976426058 0.01007456003503 6.941 2 Li 0.58189179991009 0.56798023573942 0.51007456003503 6.941 3 Li 0.91810820008991 0.06798023573942 0.01007456003503 6.941 4 Li 0.08189179991009 0.93201976426058 0.51007456003503 6.941 5 B 0.50866658077068 0.16484243241719 0.64495306380663 10.811 6 B 0.49133341922932 0.83515756758281 0.14495306380663 10.811 7 B 0.00866658077068 0.33515756758281 0.64495306380663 10.811 8 B 0.99133341922932 0.66484243241719 0.14495306380663 10.811 9 B 0.69509909442136 0.94099066946270 0.44942682407644 10.811 10 B 0.30490090557864 0.05900933053730 0.94942682407644 10.811 11 B 0.19509909442136 0.55900933053730 0.44942682407644 10.811 12 B 0.80490090557864 0.44099066946270 0.94942682407644 10.811 13 B 0.65707400183567 0.24752011927565 0.26805167208824 10.811 14 B 0.34292599816433 0.75247988072435 0.76805167208824 10.811 15 B 0.15707400183567 0.25247988072435 0.26805167208824 10.811 16 B 0.84292599816433 0.74752011927565 0.76805167208824 10.811 17 O 0.58377751155225 0.00167772903036 0.64783245583326 15.999 18 O 0.41622248844775 0.99832227096964 0.14783245583326 15.999 19 O 0.08377751155225 0.49832227096964 0.64783245583326 15.999 20 O 0.91622248844775 0.50167772903036 0.14783245583326 15.999 21 O 0.38318308461808 0.20759475114807 0.80271984398591 15.999 22 O 0.61681691538192 0.79240524885193 0.30271984398591 15.999 23 O 0.88318308461808 0.29240524885193 0.80271984398591 15.999 24 O 0.11681691538192 0.70759475114807 0.30271984398591 15.999 25 O 0.55824580016741 0.29889616697591 0.47117405697581 15.999 26 O 0.44175419983259 0.70110383302409 0.97117405697581 15.999 27 O 0.05824580016741 0.20110383302409 0.47117405697581 15.999 28 O 0.94175419983259 0.79889616697591 0.97117405697581 15.999 29 O 0.74136729978236 0.08870342034706 0.26933952174440 15.999 30 O 0.25863270021764 0.91129657965294 0.76933952174440 15.999 31 O 0.24136729978236 0.41129657965294 0.26933952174440 15.999 32 O 0.75863270021764 0.58870342034706 0.76933952174440 15.999 33 O 0.65959199862007 0.37277991974318 0.07342803145427 15.999 34 O 0.34040800137993 0.62722008025682 0.57342803145427 15.999 35 O 0.15959199862007 0.12722008025682 0.07342803145427 15.999 36 O 0.84040800137993 0.87277991974318 0.57342803145427 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.350718669999997 0.000000000000000 0.000000000000000 b 0.000000000000000 14.683242979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.460730059999998 Atomic positions (fractional): 1 Li 0.41810820008991 0.21600988213029 0.00503728001752 6.941 > 1 2 Li 0.41810820008991 0.71600988213029 0.00503728001752 6.941 > 1 3 Li 0.41810820008991 0.21600988213029 0.50503728001752 6.941 > 1 4 Li 0.41810820008991 0.71600988213029 0.50503728001752 6.941 > 1 5 Li 0.58189179991009 0.28399011786971 0.25503728001752 6.941 > 5 6 Li 0.58189179991009 0.78399011786971 0.25503728001752 6.941 > 5 7 Li 0.58189179991009 0.28399011786971 0.75503728001752 6.941 > 5 8 Li 0.58189179991009 0.78399011786971 0.75503728001752 6.941 > 5 9 Li 0.91810820008991 0.03399011786971 0.00503728001752 6.941 > 9 10 Li 0.91810820008991 0.53399011786971 0.00503728001752 6.941 > 9 11 Li 0.91810820008991 0.03399011786971 0.50503728001752 6.941 > 9 12 Li 0.91810820008991 0.53399011786971 0.50503728001752 6.941 > 9 13 Li 0.08189179991009 0.46600988213029 0.25503728001752 6.941 > 13 14 Li 0.08189179991009 0.96600988213029 0.25503728001752 6.941 > 13 15 Li 0.08189179991009 0.46600988213029 0.75503728001752 6.941 > 13 16 Li 0.08189179991009 0.96600988213029 0.75503728001752 6.941 > 13 17 B 0.50866658077068 0.08242121620860 0.32247653190331 10.811 > 17 18 B 0.50866658077068 0.58242121620860 0.32247653190331 10.811 > 17 19 B 0.50866658077068 0.08242121620860 0.82247653190331 10.811 > 17 20 B 0.50866658077068 0.58242121620860 0.82247653190331 10.811 > 17 21 B 0.49133341922932 0.41757878379140 0.07247653190331 10.811 > 21 22 B 0.49133341922932 0.91757878379140 0.07247653190331 10.811 > 21 23 B 0.49133341922932 0.41757878379140 0.57247653190331 10.811 > 21 24 B 0.49133341922932 0.91757878379140 0.57247653190331 10.811 > 21 25 B 0.00866658077068 0.16757878379140 0.32247653190331 10.811 > 25 26 B 0.00866658077068 0.66757878379140 0.32247653190331 10.811 > 25 27 B 0.00866658077068 0.16757878379140 0.82247653190331 10.811 > 25 28 B 0.00866658077068 0.66757878379140 0.82247653190331 10.811 > 25 29 B 0.99133341922932 0.33242121620860 0.07247653190331 10.811 > 29 30 B 0.99133341922932 0.83242121620860 0.07247653190331 10.811 > 29 31 B 0.99133341922932 0.33242121620860 0.57247653190331 10.811 > 29 32 B 0.99133341922932 0.83242121620860 0.57247653190331 10.811 > 29 33 B 0.69509909442136 0.47049533473135 0.22471341203822 10.811 > 33 34 B 0.69509909442136 0.97049533473135 0.22471341203822 10.811 > 33 35 B 0.69509909442136 0.47049533473135 0.72471341203822 10.811 > 33 36 B 0.69509909442136 0.97049533473135 0.72471341203822 10.811 > 33 37 B 0.30490090557864 0.02950466526865 0.47471341203822 10.811 > 37 38 B 0.30490090557864 0.52950466526865 0.47471341203822 10.811 > 37 39 B 0.30490090557864 0.02950466526865 0.97471341203822 10.811 > 37 40 B 0.30490090557864 0.52950466526865 0.97471341203822 10.811 > 37 41 B 0.19509909442136 0.27950466526865 0.22471341203822 10.811 > 41 42 B 0.19509909442136 0.77950466526865 0.22471341203822 10.811 > 41 43 B 0.19509909442136 0.27950466526865 0.72471341203822 10.811 > 41 44 B 0.19509909442136 0.77950466526865 0.72471341203822 10.811 > 41 45 B 0.80490090557864 0.22049533473135 0.47471341203822 10.811 > 45 46 B 0.80490090557864 0.72049533473135 0.47471341203822 10.811 > 45 47 B 0.80490090557864 0.22049533473135 0.97471341203822 10.811 > 45 48 B 0.80490090557864 0.72049533473135 0.97471341203822 10.811 > 45 49 B 0.65707400183567 0.12376005963783 0.13402583604412 10.811 > 49 50 B 0.65707400183567 0.62376005963783 0.13402583604412 10.811 > 49 51 B 0.65707400183567 0.12376005963783 0.63402583604412 10.811 > 49 52 B 0.65707400183567 0.62376005963783 0.63402583604412 10.811 > 49 53 B 0.34292599816433 0.37623994036217 0.38402583604412 10.811 > 53 54 B 0.34292599816433 0.87623994036217 0.38402583604412 10.811 > 53 55 B 0.34292599816433 0.37623994036217 0.88402583604412 10.811 > 53 56 B 0.34292599816433 0.87623994036217 0.88402583604412 10.811 > 53 57 B 0.15707400183567 0.12623994036217 0.13402583604412 10.811 > 57 58 B 0.15707400183567 0.62623994036217 0.13402583604412 10.811 > 57 59 B 0.15707400183567 0.12623994036217 0.63402583604412 10.811 > 57 60 B 0.15707400183567 0.62623994036217 0.63402583604412 10.811 > 57 61 B 0.84292599816433 0.37376005963783 0.38402583604412 10.811 > 61 62 B 0.84292599816433 0.87376005963783 0.38402583604412 10.811 > 61 63 B 0.84292599816433 0.37376005963783 0.88402583604412 10.811 > 61 64 B 0.84292599816433 0.87376005963783 0.88402583604412 10.811 > 61 65 O 0.58377751155225 0.00083886451518 0.32391622791663 15.999 > 65 66 O 0.58377751155225 0.50083886451518 0.32391622791663 15.999 > 65 67 O 0.58377751155225 0.00083886451518 0.82391622791663 15.999 > 65 68 O 0.58377751155225 0.50083886451518 0.82391622791663 15.999 > 65 69 O 0.41622248844775 0.49916113548482 0.07391622791663 15.999 > 69 70 O 0.41622248844775 0.99916113548482 0.07391622791663 15.999 > 69 71 O 0.41622248844775 0.49916113548482 0.57391622791663 15.999 > 69 72 O 0.41622248844775 0.99916113548482 0.57391622791663 15.999 > 69 73 O 0.08377751155225 0.24916113548482 0.32391622791663 15.999 > 73 74 O 0.08377751155225 0.74916113548482 0.32391622791663 15.999 > 73 75 O 0.08377751155225 0.24916113548482 0.82391622791663 15.999 > 73 76 O 0.08377751155225 0.74916113548482 0.82391622791663 15.999 > 73 77 O 0.91622248844775 0.25083886451518 0.07391622791663 15.999 > 77 78 O 0.91622248844775 0.75083886451518 0.07391622791663 15.999 > 77 79 O 0.91622248844775 0.25083886451518 0.57391622791663 15.999 > 77 80 O 0.91622248844775 0.75083886451518 0.57391622791663 15.999 > 77 81 O 0.38318308461808 0.10379737557404 0.40135992199295 15.999 > 81 82 O 0.38318308461808 0.60379737557404 0.40135992199295 15.999 > 81 83 O 0.38318308461808 0.10379737557404 0.90135992199295 15.999 > 81 84 O 0.38318308461808 0.60379737557404 0.90135992199295 15.999 > 81 85 O 0.61681691538192 0.39620262442596 0.15135992199295 15.999 > 85 86 O 0.61681691538192 0.89620262442596 0.15135992199295 15.999 > 85 87 O 0.61681691538192 0.39620262442596 0.65135992199295 15.999 > 85 88 O 0.61681691538192 0.89620262442596 0.65135992199295 15.999 > 85 89 O 0.88318308461808 0.14620262442596 0.40135992199295 15.999 > 89 90 O 0.88318308461808 0.64620262442596 0.40135992199295 15.999 > 89 91 O 0.88318308461808 0.14620262442596 0.90135992199295 15.999 > 89 92 O 0.88318308461808 0.64620262442596 0.90135992199295 15.999 > 89 93 O 0.11681691538192 0.35379737557404 0.15135992199295 15.999 > 93 94 O 0.11681691538192 0.85379737557404 0.15135992199295 15.999 > 93 95 O 0.11681691538192 0.35379737557404 0.65135992199295 15.999 > 93 96 O 0.11681691538192 0.85379737557404 0.65135992199295 15.999 > 93 97 O 0.55824580016741 0.14944808348795 0.23558702848790 15.999 > 97 98 O 0.55824580016741 0.64944808348795 0.23558702848790 15.999 > 97 99 O 0.55824580016741 0.14944808348795 0.73558702848790 15.999 > 97 100 O 0.55824580016741 0.64944808348795 0.73558702848790 15.999 > 97 101 O 0.44175419983259 0.35055191651205 0.48558702848790 15.999 > 101 102 O 0.44175419983259 0.85055191651205 0.48558702848790 15.999 > 101 103 O 0.44175419983259 0.35055191651205 0.98558702848790 15.999 > 101 104 O 0.44175419983259 0.85055191651205 0.98558702848790 15.999 > 101 105 O 0.05824580016741 0.10055191651205 0.23558702848790 15.999 > 105 106 O 0.05824580016741 0.60055191651205 0.23558702848790 15.999 > 105 107 O 0.05824580016741 0.10055191651205 0.73558702848790 15.999 > 105 108 O 0.05824580016741 0.60055191651205 0.73558702848790 15.999 > 105 109 O 0.94175419983259 0.39944808348795 0.48558702848790 15.999 > 109 110 O 0.94175419983259 0.89944808348795 0.48558702848790 15.999 > 109 111 O 0.94175419983259 0.39944808348795 0.98558702848790 15.999 > 109 112 O 0.94175419983259 0.89944808348795 0.98558702848790 15.999 > 109 113 O 0.74136729978236 0.04435171017353 0.13466976087220 15.999 > 113 114 O 0.74136729978236 0.54435171017353 0.13466976087220 15.999 > 113 115 O 0.74136729978236 0.04435171017353 0.63466976087220 15.999 > 113 116 O 0.74136729978236 0.54435171017353 0.63466976087220 15.999 > 113 117 O 0.25863270021764 0.45564828982647 0.38466976087220 15.999 > 117 118 O 0.25863270021764 0.95564828982647 0.38466976087220 15.999 > 117 119 O 0.25863270021764 0.45564828982647 0.88466976087220 15.999 > 117 120 O 0.25863270021764 0.95564828982647 0.88466976087220 15.999 > 117 121 O 0.24136729978236 0.20564828982647 0.13466976087220 15.999 > 121 122 O 0.24136729978236 0.70564828982647 0.13466976087220 15.999 > 121 123 O 0.24136729978236 0.20564828982647 0.63466976087220 15.999 > 121 124 O 0.24136729978236 0.70564828982647 0.63466976087220 15.999 > 121 125 O 0.75863270021764 0.29435171017353 0.38466976087220 15.999 > 125 126 O 0.75863270021764 0.79435171017353 0.38466976087220 15.999 > 125 127 O 0.75863270021764 0.29435171017353 0.88466976087220 15.999 > 125 128 O 0.75863270021764 0.79435171017353 0.88466976087220 15.999 > 125 129 O 0.65959199862007 0.18638995987159 0.03671401572714 15.999 > 129 130 O 0.65959199862007 0.68638995987159 0.03671401572714 15.999 > 129 131 O 0.65959199862007 0.18638995987159 0.53671401572714 15.999 > 129 132 O 0.65959199862007 0.68638995987159 0.53671401572714 15.999 > 129 133 O 0.34040800137993 0.31361004012841 0.28671401572714 15.999 > 133 134 O 0.34040800137993 0.81361004012841 0.28671401572714 15.999 > 133 135 O 0.34040800137993 0.31361004012841 0.78671401572714 15.999 > 133 136 O 0.34040800137993 0.81361004012841 0.78671401572714 15.999 > 133 137 O 0.15959199862007 0.06361004012841 0.03671401572714 15.999 > 137 138 O 0.15959199862007 0.56361004012841 0.03671401572714 15.999 > 137 139 O 0.15959199862007 0.06361004012841 0.53671401572714 15.999 > 137 140 O 0.15959199862007 0.56361004012841 0.53671401572714 15.999 > 137 141 O 0.84040800137993 0.43638995987159 0.28671401572714 15.999 > 141 142 O 0.84040800137993 0.93638995987159 0.28671401572714 15.999 > 141 143 O 0.84040800137993 0.43638995987159 0.78671401572714 15.999 > 141 144 O 0.84040800137993 0.93638995987159 0.78671401572714 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.6024043 0.0000000 0.0000000 0.0000000 2.7685460 0.0000000 0.0000000 0.0000000 2.7206862 -------------------------- Born effective charges -------------------------- 1 Li 1.1406038 -0.0901768 -0.0465832 -0.0122370 1.2540352 -0.0208319 0.0107504 0.0046596 1.0388922 2 Li 1.1406038 -0.0901768 0.0465832 -0.0122370 1.2540352 0.0208319 -0.0107504 -0.0046596 1.0388922 3 Li 1.1406038 0.0901768 -0.0465832 0.0122370 1.2540352 0.0208319 0.0107504 -0.0046596 1.0388922 4 Li 1.1406038 0.0901768 0.0465832 0.0122370 1.2540352 -0.0208319 -0.0107504 0.0046596 1.0388922 5 B 1.9275696 -0.2466123 -0.8370413 -0.1936758 2.1501666 -0.3576490 -0.9254309 -0.2471061 2.0784210 6 B 1.9275696 -0.2466123 0.8370413 -0.1936758 2.1501666 0.3576490 0.9254309 0.2471061 2.0784210 7 B 1.9275696 0.2466123 -0.8370413 0.1936758 2.1501666 0.3576490 -0.9254309 0.2471061 2.0784210 8 B 1.9275696 0.2466123 0.8370413 0.1936758 2.1501666 -0.3576490 0.9254309 -0.2471061 2.0784210 9 B 2.4568448 0.0085860 0.2934113 -0.4272504 2.4428393 -0.2857268 0.3695459 0.0930626 2.4654649 10 B 2.4568448 0.0085860 -0.2934113 -0.4272504 2.4428393 0.2857268 -0.3695459 -0.0930626 2.4654649 11 B 2.4568448 -0.0085860 0.2934113 0.4272504 2.4428393 0.2857268 0.3695459 -0.0930626 2.4654649 12 B 2.4568448 -0.0085860 -0.2934113 0.4272504 2.4428393 -0.2857268 -0.3695459 0.0930626 2.4654649 13 B 1.5274257 -0.1781893 -0.6828185 -0.2946619 2.3426921 -0.6479851 -0.5089477 -0.5016656 2.3940790 14 B 1.5274257 -0.1781893 0.6828185 -0.2946619 2.3426921 0.6479851 0.5089477 0.5016656 2.3940790 15 B 1.5274257 0.1781893 -0.6828185 0.2946619 2.3426921 0.6479851 -0.5089477 0.5016656 2.3940790 16 B 1.5274257 0.1781893 0.6828185 0.2946619 2.3426921 -0.6479851 0.5089477 -0.5016656 2.3940790 17 O -1.4529351 0.4245450 0.4126416 0.5469098 -1.6611940 -0.1161332 0.4397001 -0.1406506 -1.3423825 18 O -1.4529351 0.4245450 -0.4126416 0.5469098 -1.6611940 0.1161332 -0.4397001 0.1406506 -1.3423825 19 O -1.4529351 -0.4245450 0.4126416 -0.5469098 -1.6611940 0.1161332 0.4397001 0.1406506 -1.3423825 20 O -1.4529351 -0.4245450 -0.4126416 -0.5469098 -1.6611940 -0.1161332 -0.4397001 -0.1406506 -1.3423825 21 O -1.6599585 -0.0734065 0.7195226 -0.0697251 -1.4266170 0.1373556 0.8004278 0.1692043 -1.6584261 22 O -1.6599585 -0.0734065 -0.7195226 -0.0697251 -1.4266170 -0.1373556 -0.8004278 -0.1692043 -1.6584261 23 O -1.6599585 0.0734065 0.7195226 0.0697251 -1.4266170 -0.1373556 0.8004278 -0.1692043 -1.6584261 24 O -1.6599585 0.0734065 -0.7195226 0.0697251 -1.4266170 0.1373556 -0.8004278 0.1692043 -1.6584261 25 O -1.2021577 -0.0865810 0.7057944 -0.1087669 -1.4526718 0.3876829 0.7564896 0.2981143 -1.8787357 26 O -1.2021577 -0.0865810 -0.7057944 -0.1087669 -1.4526718 -0.3876829 -0.7564896 -0.2981143 -1.8787357 27 O -1.2021577 0.0865810 0.7057944 0.1087669 -1.4526718 -0.3876829 0.7564896 -0.2981143 -1.8787357 28 O -1.2021577 0.0865810 -0.7057944 0.1087669 -1.4526718 0.3876829 -0.7564896 0.2981143 -1.8787357 29 O -1.2120704 0.1132350 0.2575190 0.2288084 -2.0271758 0.4930968 0.1335193 0.3992099 -1.2905958 30 O -1.2120704 0.1132350 -0.2575190 0.2288084 -2.0271758 -0.4930968 -0.1335193 -0.3992099 -1.2905958 31 O -1.2120704 -0.1132350 0.2575190 -0.2288084 -2.0271758 -0.4930968 0.1335193 -0.3992099 -1.2905958 32 O -1.2120704 -0.1132350 -0.2575190 -0.2288084 -2.0271758 0.4930968 -0.1335193 0.3992099 -1.2905958 33 O -1.5253222 -0.3514890 0.5401758 -0.3996059 -1.6220746 0.8049071 0.3991251 0.6408379 -1.8067170 34 O -1.5253222 -0.3514890 -0.5401758 -0.3996059 -1.6220746 -0.8049071 -0.3991251 -0.6408379 -1.8067170 35 O -1.5253222 0.3514890 0.5401758 0.3996059 -1.6220746 -0.8049071 0.3991251 -0.6408379 -1.8067170 36 O -1.5253222 0.3514890 -0.5401758 0.3996059 -1.6220746 0.8049071 -0.3991251 0.6408379 -1.8067170 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xyy) -0.00000001 (xyy) -0.00000001 (xyy) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- 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 ... [ 6 7 10 ] 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: 0.61, Number of G-points: 301, Lambda: 0.10 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: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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 3.271 ( 0.000 0.000 -0.000) 0.000 3.350 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 -0.000) 0.000 5.208 ( 0.000 0.000 -0.000) 0.000 5.303 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.625 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 6.477 ( 0.000 0.000 -0.000) 0.000 6.517 ( 0.000 0.000 0.000) 0.000 6.773 ( 0.000 0.000 -0.000) 0.000 6.852 ( 0.000 0.000 -0.000) 0.000 7.140 ( 0.000 0.000 -0.000) 0.000 7.147 ( 0.000 0.000 0.000) 0.000 7.580 ( 0.000 0.000 0.000) 0.000 8.071 ( 0.000 0.000 0.000) 0.000 8.251 ( 0.000 0.000 0.000) 0.000 8.903 ( 0.000 0.000 0.000) 0.000 9.492 ( 0.000 0.000 0.000) 0.000 9.502 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 -0.000) 0.000 9.905 ( 0.000 0.000 0.000) 0.000 10.076 ( 0.000 0.000 -0.000) 0.000 10.346 ( 0.000 0.000 -0.000) 0.000 10.716 ( 0.000 0.000 -0.000) 0.000 11.565 ( 0.000 0.000 0.000) 0.000 11.620 ( 0.000 0.000 -0.000) 0.000 11.751 ( 0.000 0.000 -0.000) 0.000 11.812 ( 0.000 0.000 0.000) 0.000 12.616 ( 0.000 0.000 0.000) 0.000 12.757 ( 0.000 0.000 0.000) 0.000 12.980 ( 0.000 0.000 0.000) 0.000 12.988 ( 0.000 0.000 0.000) 0.000 13.089 ( 0.000 0.000 -0.000) 0.000 13.189 ( 0.000 0.000 -0.000) 0.000 13.539 ( 0.000 0.000 0.000) 0.000 13.587 ( 0.000 0.000 0.000) 0.000 13.786 ( 0.000 0.000 -0.000) 0.000 14.194 ( 0.000 0.000 0.000) 0.000 14.662 ( 0.000 0.000 -0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.978 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 -0.000) 0.000 16.189 ( 0.000 0.000 -0.000) 0.000 16.675 ( 0.000 0.000 0.000) 0.000 17.302 ( 0.000 0.000 -0.000) 0.000 17.619 ( 0.000 0.000 0.000) 0.000 17.794 ( 0.000 0.000 0.000) 0.000 18.552 ( 0.000 0.000 0.000) 0.000 18.613 ( 0.000 0.000 0.000) 0.000 19.084 ( 0.000 0.000 0.000) 0.000 19.123 ( 0.000 0.000 0.000) 0.000 19.273 ( 0.000 0.000 -0.000) 0.000 19.415 ( 0.000 0.000 0.000) 0.000 19.461 ( 0.000 0.000 0.000) 0.000 20.162 ( 0.000 0.000 0.000) 0.000 20.180 ( 0.000 0.000 0.000) 0.000 20.991 ( 0.000 0.000 0.000) 0.000 21.430 ( 0.000 0.000 -0.000) 0.000 22.120 ( 0.000 0.000 -0.000) 0.000 22.216 ( 0.000 0.000 0.000) 0.000 22.383 ( 0.000 0.000 -0.000) 0.000 22.646 ( 0.000 0.000 0.000) 0.000 22.676 ( 0.000 0.000 0.000) 0.000 23.834 ( 0.000 0.000 -0.000) 0.000 25.085 ( 0.000 0.000 0.000) 0.000 25.187 ( 0.000 0.000 -0.000) 0.000 26.301 ( 0.000 0.000 0.000) 0.000 26.442 ( 0.000 0.000 -0.000) 0.000 27.149 ( 0.000 0.000 0.000) 0.000 28.528 ( 0.000 0.000 0.000) 0.000 28.559 ( 0.000 0.000 0.000) 0.000 28.800 ( 0.000 0.000 0.000) 0.000 28.905 ( 0.000 0.000 0.000) 0.000 28.909 ( 0.000 0.000 0.000) 0.000 28.936 ( 0.000 0.000 0.000) 0.000 29.583 ( 0.000 0.000 0.000) 0.000 30.647 ( 0.000 0.000 0.000) 0.000 31.645 ( 0.000 0.000 -0.000) 0.000 31.805 ( 0.000 0.000 -0.000) 0.000 32.373 ( 0.000 0.000 -0.000) 0.000 32.618 ( 0.000 0.000 -0.000) 0.000 32.687 ( 0.000 0.000 0.000) 0.000 33.810 ( 0.000 0.000 0.000) 0.000 37.269 ( 0.000 0.000 0.000) 0.000 37.777 ( 0.000 0.000 0.000) 0.000 37.784 ( 0.000 0.000 0.000) 0.000 38.098 ( 0.000 0.000 -0.000) 0.000 39.591 ( 0.000 0.000 0.000) 0.000 40.036 ( 0.000 0.000 0.000) 0.000 40.090 ( 0.000 0.000 0.000) 0.000 40.335 ( 0.000 0.000 0.000) 0.000 40.585 ( 0.000 0.000 -0.000) 0.000 41.064 ( 0.000 0.000 0.000) 0.000 41.367 ( 0.000 0.000 -0.000) 0.000 41.687 ( 0.000 0.000 -0.000) 0.000 42.003 ( 0.000 0.000 -0.000) 0.000 44.203 ( 0.000 0.000 0.000) 0.000 44.503 ( 0.000 0.000 -0.000) 0.000 44.682 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/96) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 40.643 0.000 0.000) 40.643 1.004 ( 51.842 0.000 0.000) 51.842 1.321 ( 62.212 0.000 0.000) 62.212 3.185 ( -8.103 0.000 0.000) 8.103 3.353 ( 0.127 0.000 0.000) 0.127 3.931 ( -11.904 0.000 0.000) 11.904 4.263 ( -15.865 0.000 0.000) 15.865 4.904 ( 5.375 0.000 0.000) 5.375 4.942 ( -18.377 0.000 0.000) 18.377 5.267 ( 5.705 0.000 0.000) 5.705 5.296 ( -1.231 0.000 0.000) 1.231 5.436 ( 3.507 0.000 0.000) 3.507 5.824 ( 16.556 0.000 0.000) 16.556 5.930 ( 7.357 0.000 0.000) 7.357 6.401 ( -7.256 0.000 0.000) 7.256 6.483 ( -3.468 0.000 0.000) 3.468 6.757 ( -1.305 0.000 0.000) 1.305 6.915 ( 6.608 0.000 0.000) 6.608 7.011 ( -10.858 0.000 0.000) 10.858 7.238 ( 3.382 0.000 0.000) 3.382 7.557 ( -2.804 0.000 0.000) 2.804 8.113 ( 3.058 0.000 0.000) 3.058 8.795 ( -9.510 0.000 0.000) 9.510 9.007 ( -8.124 0.000 0.000) 8.124 9.486 ( 0.036 0.000 0.000) 0.036 9.536 ( 2.711 0.000 0.000) 2.711 9.681 ( 2.567 0.000 0.000) 2.567 9.795 ( -0.339 0.000 0.000) 0.339 9.847 ( -2.850 0.000 0.000) 2.850 10.023 ( -5.053 0.000 0.000) 5.053 10.389 ( 6.106 0.000 0.000) 6.106 10.884 ( 2.114 0.000 0.000) 2.114 11.487 ( -7.897 0.000 0.000) 7.897 11.666 ( -10.349 0.000 0.000) 10.349 11.925 ( 10.494 0.000 0.000) 10.494 11.984 ( 5.051 0.000 0.000) 5.051 12.630 ( 1.307 0.000 0.000) 1.307 12.752 ( -0.602 0.000 0.000) 0.602 12.974 ( -1.223 0.000 0.000) 1.223 13.003 ( 1.478 0.000 0.000) 1.478 13.108 ( 2.877 0.000 0.000) 2.877 13.229 ( 3.686 0.000 0.000) 3.686 13.527 ( -1.272 0.000 0.000) 1.272 13.719 ( -2.303 0.000 0.000) 2.303 13.758 ( -1.982 0.000 0.000) 1.982 14.096 ( -8.454 0.000 0.000) 8.454 14.798 ( 12.723 0.000 0.000) 12.723 15.007 ( 10.526 0.000 0.000) 10.526 15.711 ( -4.734 0.000 0.000) 4.734 15.799 ( -12.048 0.000 0.000) 12.048 16.071 ( -0.951 0.000 0.000) 0.951 16.301 ( 1.618 0.000 0.000) 1.618 16.553 ( -4.993 0.000 0.000) 4.993 17.257 ( -19.953 0.000 0.000) 19.953 17.436 ( 10.724 0.000 0.000) 10.724 18.136 ( 17.187 0.000 0.000) 17.187 18.474 ( -6.951 0.000 0.000) 6.951 18.758 ( 10.850 0.000 0.000) 10.850 19.098 ( 1.758 0.000 0.000) 1.758 19.215 ( -2.171 0.000 0.000) 2.171 19.353 ( 7.485 0.000 0.000) 7.485 19.460 ( 3.237 0.000 0.000) 3.237 19.737 ( 1.717 0.000 0.000) 1.717 20.073 ( -4.960 0.000 0.000) 4.960 20.228 ( 0.783 0.000 0.000) 0.783 20.936 ( -5.859 0.000 0.000) 5.859 21.411 ( -0.923 0.000 0.000) 0.923 22.157 ( 3.058 0.000 0.000) 3.058 22.192 ( -5.841 0.000 0.000) 5.841 22.272 ( -7.088 0.000 0.000) 7.088 22.640 ( -0.537 0.000 0.000) 0.537 22.678 ( -1.817 0.000 0.000) 1.817 23.955 ( 11.767 0.000 0.000) 11.767 25.072 ( -4.059 0.000 0.000) 4.059 25.207 ( 2.057 0.000 0.000) 2.057 26.287 ( -25.600 0.000 0.000) 25.600 26.602 ( 14.956 0.000 0.000) 14.956 27.461 ( 20.566 0.000 0.000) 20.566 28.358 ( -16.591 0.000 0.000) 16.591 28.486 ( -8.252 0.000 0.000) 8.252 28.767 ( 2.743 0.000 0.000) 2.743 28.852 ( 4.792 0.000 0.000) 4.792 29.247 ( 14.750 0.000 0.000) 14.750 29.560 ( -2.054 0.000 0.000) 2.054 30.564 ( -2.325 0.000 0.000) 2.325 30.584 ( -5.627 0.000 0.000) 5.627 31.665 ( 0.760 0.000 0.000) 0.760 31.827 ( 1.589 0.000 0.000) 1.589 32.358 ( -1.139 0.000 0.000) 1.139 32.592 ( -2.555 0.000 0.000) 2.555 33.818 ( 0.678 0.000 0.000) 0.678 33.849 ( 0.139 0.000 0.000) 0.139 37.298 ( 2.776 0.000 0.000) 2.776 37.713 ( -5.288 0.000 0.000) 5.288 38.188 ( 7.660 0.000 0.000) 7.660 38.852 ( -4.160 0.000 0.000) 4.160 39.635 ( 4.306 0.000 0.000) 4.306 40.048 ( -0.530 0.000 0.000) 0.530 40.084 ( -0.577 0.000 0.000) 0.577 40.290 ( -4.985 0.000 0.000) 4.985 40.616 ( 3.561 0.000 0.000) 3.561 41.040 ( -2.389 0.000 0.000) 2.389 41.497 ( -3.735 0.000 0.000) 3.735 41.658 ( -2.753 0.000 0.000) 2.753 42.194 ( 16.235 0.000 0.000) 16.235 43.913 ( -20.275 0.000 0.000) 20.275 44.757 ( 16.742 0.000 0.000) 16.742 45.799 ( -5.715 0.000 0.000) 5.715 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.599 ( 35.582 0.000 0.000) 35.582 1.932 ( 38.276 0.000 0.000) 38.276 2.511 ( 55.753 0.000 0.000) 55.753 2.985 ( -9.754 0.000 0.000) 9.754 3.333 ( -3.544 0.000 0.000) 3.544 3.688 ( -9.841 0.000 0.000) 9.841 3.843 ( -23.913 0.000 0.000) 23.913 4.413 ( -33.809 0.000 0.000) 33.809 5.035 ( 7.015 0.000 0.000) 7.015 5.252 ( -3.194 0.000 0.000) 3.194 5.441 ( 11.181 0.000 0.000) 11.181 5.562 ( 7.880 0.000 0.000) 7.880 6.039 ( 1.639 0.000 0.000) 1.639 6.128 ( 9.132 0.000 0.000) 9.132 6.221 ( -7.869 0.000 0.000) 7.869 6.378 ( -6.166 0.000 0.000) 6.166 6.731 ( -1.061 0.000 0.000) 1.061 6.809 ( -7.424 0.000 0.000) 7.424 7.163 ( 18.350 0.000 0.000) 18.350 7.324 ( 5.650 0.000 0.000) 5.650 7.476 ( -4.604 0.000 0.000) 4.604 8.085 ( -10.403 0.000 0.000) 10.403 8.595 ( -6.413 0.000 0.000) 6.413 8.810 ( -10.650 0.000 0.000) 10.650 9.512 ( 2.663 0.000 0.000) 2.663 9.584 ( 1.490 0.000 0.000) 1.490 9.667 ( 0.198 0.000 0.000) 0.198 9.785 ( -0.505 0.000 0.000) 0.505 9.836 ( -0.750 0.000 0.000) 0.750 9.892 ( -7.428 0.000 0.000) 7.428 10.619 ( 15.592 0.000 0.000) 15.592 10.940 ( 2.867 0.000 0.000) 2.867 11.336 ( -6.933 0.000 0.000) 6.933 11.430 ( -12.732 0.000 0.000) 12.732 12.068 ( 3.374 0.000 0.000) 3.374 12.082 ( 4.573 0.000 0.000) 4.573 12.666 ( 2.176 0.000 0.000) 2.176 12.735 ( -1.048 0.000 0.000) 1.048 12.951 ( -0.726 0.000 0.000) 0.726 12.995 ( -1.991 0.000 0.000) 1.991 13.246 ( 10.283 0.000 0.000) 10.283 13.320 ( 4.916 0.000 0.000) 4.916 13.488 ( -2.528 0.000 0.000) 2.528 13.648 ( -5.283 0.000 0.000) 5.283 13.739 ( 0.441 0.000 0.000) 0.441 13.909 ( -9.053 0.000 0.000) 9.053 15.128 ( 19.394 0.000 0.000) 19.394 15.239 ( 11.201 0.000 0.000) 11.201 15.575 ( -9.705 0.000 0.000) 9.705 15.648 ( -0.561 0.000 0.000) 0.561 15.946 ( -11.763 0.000 0.000) 11.763 16.110 ( -14.545 0.000 0.000) 14.545 16.639 ( 8.081 0.000 0.000) 8.081 16.945 ( -10.766 0.000 0.000) 10.766 17.677 ( 13.222 0.000 0.000) 13.222 18.220 ( -10.898 0.000 0.000) 10.898 18.480 ( 10.344 0.000 0.000) 10.344 18.821 ( -4.875 0.000 0.000) 4.875 19.159 ( 4.151 0.000 0.000) 4.151 19.272 ( 3.032 0.000 0.000) 3.032 19.545 ( 10.985 0.000 0.000) 10.985 19.589 ( 11.403 0.000 0.000) 11.403 19.784 ( 2.943 0.000 0.000) 2.943 19.980 ( -4.577 0.000 0.000) 4.577 20.216 ( 0.095 0.000 0.000) 0.095 20.738 ( -14.318 0.000 0.000) 14.318 21.440 ( 4.545 0.000 0.000) 4.545 21.903 ( -17.248 0.000 0.000) 17.248 22.214 ( 2.241 0.000 0.000) 2.241 22.241 ( 0.163 0.000 0.000) 0.163 22.629 ( -0.401 0.000 0.000) 0.401 22.646 ( -1.305 0.000 0.000) 1.305 24.274 ( 19.102 0.000 0.000) 19.102 24.941 ( -9.670 0.000 0.000) 9.670 25.276 ( 5.128 0.000 0.000) 5.128 25.788 ( -22.612 0.000 0.000) 22.612 26.988 ( 22.456 0.000 0.000) 22.456 27.838 ( 16.619 0.000 0.000) 16.619 27.939 ( -23.257 0.000 0.000) 23.257 28.325 ( -8.713 0.000 0.000) 8.713 28.870 ( 5.970 0.000 0.000) 5.970 28.955 ( 4.145 0.000 0.000) 4.145 29.474 ( 7.200 0.000 0.000) 7.200 29.522 ( -0.996 0.000 0.000) 0.996 30.466 ( -4.829 0.000 0.000) 4.829 30.498 ( -3.961 0.000 0.000) 3.961 31.700 ( 2.908 0.000 0.000) 2.908 31.836 ( -1.377 0.000 0.000) 1.377 32.356 ( 1.624 0.000 0.000) 1.624 32.520 ( -4.530 0.000 0.000) 4.530 33.834 ( 0.795 0.000 0.000) 0.795 33.850 ( -0.007 0.000 0.000) 0.007 37.374 ( 4.732 0.000 0.000) 4.732 37.597 ( -5.971 0.000 0.000) 5.971 38.366 ( 9.726 0.000 0.000) 9.726 38.733 ( -7.514 0.000 0.000) 7.514 39.758 ( 7.896 0.000 0.000) 7.896 40.042 ( 0.040 0.000 0.000) 0.040 40.069 ( -0.904 0.000 0.000) 0.904 40.140 ( -9.427 0.000 0.000) 9.427 40.723 ( 6.579 0.000 0.000) 6.579 40.969 ( -4.662 0.000 0.000) 4.662 41.462 ( 0.395 0.000 0.000) 0.395 41.585 ( -4.238 0.000 0.000) 4.238 42.577 ( 21.321 0.000 0.000) 21.321 43.481 ( -22.605 0.000 0.000) 22.605 45.087 ( 16.029 0.000 0.000) 16.029 45.635 ( -10.535 0.000 0.000) 10.535 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.178 ( -17.571 0.000 0.000) 17.571 2.178 ( 17.571 0.000 0.000) 17.571 3.069 ( -21.422 0.000 0.000) 21.422 3.069 ( 21.422 0.000 0.000) 21.422 3.458 ( -24.595 0.000 0.000) 24.595 3.458 ( 24.595 0.000 0.000) 24.595 3.691 ( -24.375 0.000 0.000) 24.375 3.691 ( 24.375 0.000 0.000) 24.375 5.164 ( -5.603 0.000 0.000) 5.603 5.164 ( 5.603 0.000 0.000) 5.603 5.638 ( -4.466 0.000 0.000) 4.466 5.638 ( 4.466 0.000 0.000) 4.466 6.031 ( -3.350 0.000 0.000) 3.350 6.031 ( 3.350 0.000 0.000) 3.350 6.291 ( -3.690 0.000 0.000) 3.690 6.291 ( 3.690 0.000 0.000) 3.690 6.729 ( -1.289 0.000 0.000) 1.289 6.729 ( 1.289 0.000 0.000) 1.289 7.386 ( -4.737 0.000 0.000) 4.737 7.386 ( 4.737 0.000 0.000) 4.737 7.675 ( -25.963 0.000 0.000) 25.963 7.675 ( 25.963 0.000 0.000) 25.963 8.622 ( -7.032 0.000 0.000) 7.032 8.622 ( 7.032 0.000 0.000) 7.032 9.573 ( -2.559 0.000 0.000) 2.559 9.573 ( 2.559 0.000 0.000) 2.559 9.735 ( -5.673 0.000 0.000) 5.673 9.735 ( 5.673 0.000 0.000) 5.673 9.808 ( -1.007 0.000 0.000) 1.007 9.808 ( 1.007 0.000 0.000) 1.007 10.909 ( -9.655 0.000 0.000) 9.655 10.909 ( 9.655 0.000 0.000) 9.655 11.252 ( -1.229 0.000 0.000) 1.229 11.252 ( 1.229 0.000 0.000) 1.229 12.113 ( -0.836 0.000 0.000) 0.836 12.113 ( 0.836 0.000 0.000) 0.836 12.707 ( -1.779 0.000 0.000) 1.779 12.707 ( 1.779 0.000 0.000) 1.779 12.956 ( -1.304 0.000 0.000) 1.304 12.956 ( 1.304 0.000 0.000) 1.304 13.405 ( -2.229 0.000 0.000) 2.229 13.405 ( 2.229 0.000 0.000) 2.229 13.489 ( -9.170 0.000 0.000) 9.170 13.489 ( 9.171 0.000 0.000) 9.171 13.779 ( -3.805 0.000 0.000) 3.805 13.779 ( 3.805 0.000 0.000) 3.805 15.414 ( -6.933 0.000 0.000) 6.933 15.414 ( 6.933 0.000 0.000) 6.933 15.525 ( -17.854 0.000 0.000) 17.854 15.525 ( 17.854 0.000 0.000) 17.854 15.847 ( -9.162 0.000 0.000) 9.162 15.847 ( 9.162 0.000 0.000) 9.162 16.787 ( -6.692 0.000 0.000) 6.692 16.787 ( 6.692 0.000 0.000) 6.692 17.955 ( -14.251 0.000 0.000) 14.251 17.955 ( 14.251 0.000 0.000) 14.251 18.674 ( -8.707 0.000 0.000) 8.707 18.674 ( 8.707 0.000 0.000) 8.707 19.246 ( -3.935 0.000 0.000) 3.935 19.246 ( 3.935 0.000 0.000) 3.935 19.718 ( -2.793 0.000 0.000) 2.793 19.718 ( 2.793 0.000 0.000) 2.793 19.865 ( -5.997 0.000 0.000) 5.997 19.865 ( 5.997 0.000 0.000) 5.997 20.392 ( -17.514 0.000 0.000) 17.514 20.392 ( 17.514 0.000 0.000) 17.514 21.603 ( -11.869 0.000 0.000) 11.869 21.603 ( 11.869 0.000 0.000) 11.869 22.241 ( -0.481 0.000 0.000) 0.481 22.241 ( 0.481 0.000 0.000) 0.481 22.629 ( -0.438 0.000 0.000) 0.438 22.629 ( 0.438 0.000 0.000) 0.438 24.662 ( -18.094 0.000 0.000) 18.094 24.662 ( 18.094 0.000 0.000) 18.094 25.438 ( -12.098 0.000 0.000) 12.098 25.438 ( 12.098 0.000 0.000) 12.098 27.461 ( -24.287 0.000 0.000) 24.287 27.461 ( 24.287 0.000 0.000) 24.287 28.121 ( -11.964 0.000 0.000) 11.964 28.121 ( 11.964 0.000 0.000) 11.964 28.969 ( -2.920 0.000 0.000) 2.920 28.969 ( 2.920 0.000 0.000) 2.920 29.529 ( -0.586 0.000 0.000) 0.586 29.529 ( 0.586 0.000 0.000) 0.586 30.432 ( -1.567 0.000 0.000) 1.567 30.432 ( 1.567 0.000 0.000) 1.567 31.775 ( -4.066 0.000 0.000) 4.066 31.775 ( 4.066 0.000 0.000) 4.066 32.424 ( -4.652 0.000 0.000) 4.652 32.424 ( 4.652 0.000 0.000) 4.652 33.846 ( -0.430 0.000 0.000) 0.430 33.846 ( 0.430 0.000 0.000) 0.430 37.480 ( -5.696 0.000 0.000) 5.696 37.480 ( 5.696 0.000 0.000) 5.696 38.561 ( -9.478 0.000 0.000) 9.478 38.561 ( 9.478 0.000 0.000) 9.478 39.940 ( -9.969 0.000 0.000) 9.969 39.940 ( 9.969 0.000 0.000) 9.969 40.052 ( -0.725 0.000 0.000) 0.725 40.052 ( 0.725 0.000 0.000) 0.725 40.857 ( -6.453 0.000 0.000) 6.453 40.857 ( 6.453 0.000 0.000) 6.453 41.504 ( -3.496 0.000 0.000) 3.496 41.504 ( 3.496 0.000 0.000) 3.496 43.023 ( -22.963 0.000 0.000) 22.963 43.023 ( 22.963 0.000 0.000) 22.963 45.388 ( -13.958 0.000 0.000) 13.958 45.388 ( 13.958 0.000 0.000) 13.958 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.757 ( 0.000 38.397 0.000) 38.397 0.997 ( 0.000 47.573 0.000) 47.573 1.659 ( 0.000 79.887 0.000) 79.887 3.262 ( 0.000 -0.899 0.000) 0.899 3.361 ( 0.000 0.959 0.000) 0.959 3.831 ( 0.000 -14.871 0.000) 14.871 4.613 ( 0.000 -18.562 0.000) 18.562 4.755 ( 0.000 23.238 0.000) 23.238 4.946 ( 0.000 -17.448 0.000) 17.448 5.307 ( 0.000 9.670 0.000) 9.670 5.436 ( 0.000 5.134 0.000) 5.134 5.486 ( 0.000 8.271 0.000) 8.271 5.642 ( 0.000 1.572 0.000) 1.572 5.857 ( 0.000 2.236 0.000) 2.236 6.373 ( 0.000 -5.719 0.000) 5.719 6.425 ( 0.000 -7.404 0.000) 7.404 6.734 ( 0.000 -3.337 0.000) 3.337 6.776 ( 0.000 -6.863 0.000) 6.863 7.260 ( 0.000 9.183 0.000) 9.183 7.420 ( 0.000 19.799 0.000) 19.799 7.683 ( 0.000 6.981 0.000) 6.981 8.166 ( 0.000 2.617 0.000) 2.617 8.273 ( 0.000 3.449 0.000) 3.449 8.861 ( 0.000 -4.104 0.000) 4.104 9.304 ( 0.000 -16.292 0.000) 16.292 9.524 ( 0.000 0.288 0.000) 0.288 9.641 ( 0.000 1.119 0.000) 1.119 9.759 ( 0.000 -1.708 0.000) 1.708 9.825 ( 0.000 -8.073 0.000) 8.073 10.202 ( 0.000 6.262 0.000) 6.262 10.298 ( 0.000 -4.478 0.000) 4.478 10.709 ( 0.000 -1.452 0.000) 1.452 11.496 ( 0.000 -6.909 0.000) 6.909 11.696 ( 0.000 -3.483 0.000) 3.483 11.763 ( 0.000 6.333 0.000) 6.333 11.806 ( 0.000 -0.651 0.000) 0.651 12.300 ( 0.000 -22.263 0.000) 22.263 12.568 ( 0.000 -14.025 0.000) 14.025 12.959 ( 0.000 -1.590 0.000) 1.590 12.961 ( 0.000 -0.215 0.000) 0.215 13.250 ( 0.000 3.259 0.000) 3.259 13.318 ( 0.000 8.858 0.000) 8.858 13.733 ( 0.000 11.161 0.000) 11.161 13.825 ( 0.000 12.842 0.000) 12.842 14.180 ( 0.000 -1.205 0.000) 1.205 14.296 ( 0.000 -17.104 0.000) 17.104 14.502 ( 0.000 -2.416 0.000) 2.416 15.260 ( 0.000 26.528 0.000) 26.528 15.548 ( 0.000 -9.657 0.000) 9.657 15.754 ( 0.000 -12.251 0.000) 12.251 16.136 ( 0.000 -6.098 0.000) 6.098 16.367 ( 0.000 17.210 0.000) 17.210 16.917 ( 0.000 -3.235 0.000) 3.235 17.226 ( 0.000 -6.264 0.000) 6.264 17.630 ( 0.000 1.188 0.000) 1.188 17.857 ( 0.000 4.943 0.000) 4.943 18.585 ( 0.000 3.296 0.000) 3.296 18.613 ( 0.000 1.205 0.000) 1.205 19.073 ( 0.000 -1.315 0.000) 1.315 19.152 ( 0.000 1.552 0.000) 1.552 19.277 ( 0.000 0.594 0.000) 0.594 19.429 ( 0.000 1.818 0.000) 1.818 19.478 ( 0.000 1.806 0.000) 1.806 20.137 ( 0.000 -2.658 0.000) 2.658 20.168 ( 0.000 -3.193 0.000) 3.193 20.889 ( 0.000 -10.285 0.000) 10.285 21.394 ( 0.000 -3.491 0.000) 3.491 21.912 ( 0.000 -21.072 0.000) 21.072 22.251 ( 0.000 3.218 0.000) 3.218 22.307 ( 0.000 -1.740 0.000) 1.740 22.668 ( 0.000 -0.183 0.000) 0.183 22.789 ( 0.000 -1.883 0.000) 1.883 24.203 ( 0.000 31.445 0.000) 31.445 25.215 ( 0.000 12.185 0.000) 12.185 25.603 ( 0.000 -0.851 0.000) 0.851 26.344 ( 0.000 4.772 0.000) 4.772 26.516 ( 0.000 6.723 0.000) 6.723 27.128 ( 0.000 -2.710 0.000) 2.710 28.522 ( 0.000 -0.574 0.000) 0.574 28.548 ( 0.000 -17.676 0.000) 17.676 28.825 ( 0.000 -7.733 0.000) 7.733 28.900 ( 0.000 -0.954 0.000) 0.954 28.965 ( 0.000 -1.146 0.000) 1.146 29.416 ( 0.000 -14.647 0.000) 14.647 30.077 ( 0.000 18.295 0.000) 18.295 31.117 ( 0.000 16.017 0.000) 16.017 31.587 ( 0.000 -5.365 0.000) 5.365 31.843 ( 0.000 3.020 0.000) 3.020 32.637 ( 0.000 1.979 0.000) 1.979 32.686 ( 0.000 0.087 0.000) 0.087 33.032 ( 0.000 -2.338 0.000) 2.338 33.734 ( 0.000 -7.740 0.000) 7.740 37.288 ( 0.000 1.891 0.000) 1.891 37.734 ( 0.000 -4.676 0.000) 4.676 38.088 ( 0.000 -0.896 0.000) 0.896 38.378 ( 0.000 -4.286 0.000) 4.286 39.642 ( 0.000 4.927 0.000) 4.927 40.054 ( 0.000 1.723 0.000) 1.723 40.281 ( 0.000 -4.256 0.000) 4.256 40.343 ( 0.000 -1.311 0.000) 1.311 40.644 ( 0.000 5.382 0.000) 5.382 41.331 ( 0.000 -3.573 0.000) 3.573 41.684 ( 0.000 -0.276 0.000) 0.276 41.834 ( 0.000 -8.754 0.000) 8.754 42.380 ( 0.000 16.761 0.000) 16.761 44.189 ( 0.000 -19.381 0.000) 19.381 44.993 ( 0.000 18.974 0.000) 18.974 46.150 ( 0.000 -3.694 0.000) 3.694 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.204 ( 36.543 23.727 0.000) 43.570 1.461 ( 37.633 32.131 0.000) 49.484 1.963 ( 30.414 62.219 0.000) 69.254 3.197 ( -6.397 0.693 0.000) 6.434 3.372 ( 1.168 2.087 0.000) 2.391 3.726 ( -9.870 -11.805 0.000) 15.387 4.553 ( -13.238 4.184 0.000) 13.884 4.607 ( -7.365 -0.590 0.000) 7.388 5.024 ( 4.678 -13.282 0.000) 14.082 5.208 ( -5.561 7.585 0.000) 9.405 5.340 ( -4.247 1.086 0.000) 4.383 5.505 ( 2.415 7.311 0.000) 7.700 5.832 ( 14.449 1.149 0.000) 14.494 5.956 ( 7.258 2.320 0.000) 7.620 6.333 ( -2.745 -3.486 0.000) 4.437 6.437 ( -0.603 -3.912 0.000) 3.959 6.711 ( -2.025 -3.446 0.000) 3.997 6.767 ( -1.849 -9.398 0.000) 9.578 7.226 ( -2.803 2.063 0.000) 3.480 7.298 ( -8.137 18.537 0.000) 20.245 7.724 ( -0.668 10.221 0.000) 10.242 8.175 ( 5.791 6.774 0.000) 8.913 8.599 ( 10.105 -17.589 0.000) 20.286 8.747 ( -8.932 -5.988 0.000) 10.754 9.345 ( 3.375 -13.128 0.000) 13.555 9.554 ( 2.847 0.718 0.000) 2.936 9.702 ( -0.453 0.823 0.000) 0.940 9.751 ( 2.564 -3.314 0.000) 4.190 9.805 ( -1.695 -4.245 0.000) 4.571 10.132 ( -6.530 6.122 0.000) 8.951 10.354 ( 6.820 -3.387 0.000) 7.615 10.788 ( 5.364 -6.387 0.000) 8.341 11.421 ( -7.253 -5.651 0.000) 9.195 11.550 ( -6.931 -4.431 0.000) 8.227 11.885 ( 6.430 -3.725 0.000) 7.431 11.943 ( 8.925 0.829 0.000) 8.963 12.326 ( 2.571 -21.661 0.000) 21.813 12.570 ( -0.296 -14.374 0.000) 14.377 12.954 ( -0.473 0.278 0.000) 0.549 12.999 ( 2.993 -1.265 0.000) 3.249 13.214 ( -2.258 2.990 0.000) 3.747 13.356 ( 3.190 6.237 0.000) 7.005 13.634 ( -8.041 12.094 0.000) 14.524 13.836 ( 0.760 13.866 0.000) 13.886 13.976 ( -9.531 -2.627 0.000) 9.886 14.243 ( -13.816 11.138 0.000) 17.746 14.553 ( 15.844 -8.681 0.000) 18.067 15.343 ( 6.286 19.413 0.000) 20.406 15.531 ( -0.702 -9.120 0.000) 9.147 15.751 ( -3.422 -7.972 0.000) 8.675 16.000 ( -8.994 -5.300 0.000) 10.440 16.420 ( -2.318 8.719 0.000) 9.022 16.689 ( -8.593 7.079 0.000) 11.134 17.214 ( -8.845 -2.760 0.000) 9.266 17.522 ( 4.389 6.784 0.000) 8.080 18.105 ( 15.587 -2.185 0.000) 15.739 18.492 ( -7.761 2.800 0.000) 8.251 18.751 ( 9.589 -0.240 0.000) 9.592 19.091 ( 1.865 -0.367 0.000) 1.900 19.191 ( -1.194 -2.295 0.000) 2.587 19.339 ( 5.349 -1.921 0.000) 5.684 19.489 ( 4.973 1.829 0.000) 5.299 19.592 ( 9.100 -3.870 0.000) 9.888 20.052 ( -4.923 -2.849 0.000) 5.688 20.218 ( 1.373 -1.780 0.000) 2.248 20.850 ( -4.005 -8.363 0.000) 9.272 21.354 ( -2.492 -5.556 0.000) 6.089 21.900 ( -3.807 -19.708 0.000) 20.072 22.262 ( 1.065 3.666 0.000) 3.817 22.288 ( -1.160 1.632 0.000) 2.002 22.661 ( -0.660 0.334 0.000) 0.740 22.714 ( -4.478 1.697 0.000) 4.789 24.265 ( 6.537 26.940 0.000) 27.722 25.161 ( -4.751 11.182 0.000) 12.150 25.417 ( -7.052 11.190 0.000) 13.227 26.208 ( -18.139 -3.693 0.000) 18.511 26.645 ( 13.868 4.951 0.000) 14.725 27.413 ( 21.884 -2.767 0.000) 22.058 28.316 ( -12.955 -5.451 0.000) 14.055 28.478 ( -11.290 -2.995 0.000) 11.681 28.633 ( -1.565 -5.415 0.000) 5.637 28.993 ( 2.806 1.519 0.000) 3.191 29.192 ( 13.373 -5.864 0.000) 14.602 29.436 ( 0.763 -11.782 0.000) 11.806 30.307 ( 12.021 0.620 0.000) 12.037 30.954 ( -12.123 19.853 0.000) 23.262 31.616 ( 2.047 -4.408 0.000) 4.860 31.860 ( 1.003 2.602 0.000) 2.789 32.419 ( -7.594 3.224 0.000) 8.250 32.624 ( -4.248 2.647 0.000) 5.005 33.448 ( 17.464 -19.647 0.000) 26.287 33.775 ( 3.023 -7.097 0.000) 7.714 37.316 ( 2.751 1.901 0.000) 3.344 37.724 ( -3.242 -1.065 0.000) 3.412 38.105 ( 4.664 -5.685 0.000) 7.354 38.475 ( 4.614 -14.398 0.000) 15.119 39.689 ( 4.364 4.266 0.000) 6.103 40.060 ( 0.624 2.219 0.000) 2.305 40.268 ( -2.079 -0.232 0.000) 2.092 40.279 ( -5.461 -0.214 0.000) 5.465 40.664 ( 2.606 5.271 0.000) 5.880 41.285 ( -5.124 3.200 0.000) 6.041 41.611 ( -15.231 6.033 0.000) 16.382 41.662 ( -3.677 0.506 0.000) 3.712 42.352 ( 7.293 15.799 0.000) 17.401 43.890 ( -21.707 -7.198 0.000) 22.869 45.016 ( 6.279 19.195 0.000) 20.196 45.920 ( -12.378 6.229 0.000) 13.857 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 34.102 20.129 0.000) 39.599 2.204 ( 35.492 25.976 0.000) 43.982 2.759 ( 42.856 27.666 0.000) 51.010 3.020 ( -10.922 3.593 0.000) 11.498 3.352 ( -7.657 1.500 0.000) 7.802 3.528 ( -3.950 -4.310 0.000) 5.846 4.153 ( -22.708 20.252 0.000) 30.426 4.346 ( -21.769 -5.011 0.000) 22.338 5.053 ( 0.928 -0.428 0.000) 1.022 5.163 ( -2.631 -7.502 0.000) 7.950 5.395 ( 10.718 -3.952 0.000) 11.423 5.601 ( 6.378 4.226 0.000) 7.651 6.046 ( 2.078 0.468 0.000) 2.130 6.110 ( 8.937 -1.436 0.000) 9.052 6.227 ( -7.420 1.341 0.000) 7.541 6.373 ( -5.960 -0.153 0.000) 5.962 6.662 ( -2.605 -5.706 0.000) 6.273 6.695 ( -2.904 -9.738 0.000) 10.162 7.223 ( 1.055 3.633 0.000) 3.783 7.266 ( 6.587 0.576 0.000) 6.612 7.672 ( -1.346 11.932 0.000) 12.008 8.192 ( -9.878 9.507 0.000) 13.710 8.544 ( -2.742 -4.307 0.000) 5.106 8.679 ( -2.775 -8.422 0.000) 8.867 9.440 ( 6.265 -6.640 0.000) 9.130 9.612 ( 2.153 -0.952 0.000) 2.354 9.677 ( -0.637 2.111 0.000) 2.205 9.736 ( -2.489 -2.469 0.000) 3.506 9.793 ( -0.785 -4.067 0.000) 4.142 9.972 ( -8.537 3.981 0.000) 9.419 10.580 ( 14.246 -3.862 0.000) 14.761 10.879 ( 3.120 -6.290 0.000) 7.021 11.270 ( -6.464 -3.942 0.000) 7.571 11.396 ( -8.691 -3.046 0.000) 9.210 12.003 ( 4.808 -5.763 0.000) 7.505 12.065 ( 2.979 -2.065 0.000) 3.625 12.396 ( 4.196 -20.419 0.000) 20.846 12.546 ( -2.232 -15.469 0.000) 15.629 12.951 ( 0.316 0.971 0.000) 1.021 13.016 ( -1.757 -0.012 0.000) 1.757 13.219 ( 3.168 1.851 0.000) 3.669 13.393 ( -2.383 2.460 0.000) 3.424 13.547 ( 3.139 6.892 0.000) 7.573 13.834 ( -4.875 0.449 0.000) 4.896 13.863 ( 0.609 11.935 0.000) 11.950 14.022 ( -8.675 17.259 0.000) 19.317 14.901 ( 18.582 -9.854 0.000) 21.033 15.415 ( 0.147 -2.718 0.000) 2.722 15.573 ( -3.315 7.255 0.000) 7.976 15.634 ( -0.008 -1.078 0.000) 1.078 15.821 ( -7.306 -6.693 0.000) 9.908 16.203 ( -13.367 4.323 0.000) 14.048 16.732 ( 6.125 7.998 0.000) 10.074 16.994 ( -9.574 4.895 0.000) 10.753 17.726 ( 12.810 4.707 0.000) 13.647 18.258 ( -10.042 3.762 0.000) 10.724 18.421 ( 10.451 -5.372 0.000) 11.751 18.814 ( -5.357 -0.957 0.000) 5.442 19.112 ( 4.557 -3.223 0.000) 5.582 19.279 ( 1.788 0.023 0.000) 1.789 19.455 ( 10.806 -5.791 0.000) 12.260 19.609 ( 5.870 -1.610 0.000) 6.087 19.752 ( 6.278 -0.849 0.000) 6.336 19.958 ( -4.747 -2.404 0.000) 5.321 20.230 ( 2.176 0.859 0.000) 2.339 20.702 ( -11.523 -3.564 0.000) 12.061 21.353 ( 3.428 -8.141 0.000) 8.833 21.729 ( -11.925 -13.963 0.000) 18.363 22.280 ( 0.550 3.342 0.000) 3.387 22.287 ( 0.786 4.624 0.000) 4.690 22.646 ( -0.713 0.931 0.000) 1.173 22.654 ( -1.672 0.990 0.000) 1.943 24.475 ( 14.228 18.596 0.000) 23.415 25.036 ( -8.534 10.186 0.000) 13.289 25.371 ( 1.529 7.840 0.000) 7.987 25.784 ( -20.502 -0.330 0.000) 20.504 27.024 ( 22.132 3.902 0.000) 22.474 27.793 ( 10.990 -2.731 0.000) 11.324 27.974 ( -15.380 1.397 0.000) 15.443 28.301 ( -7.807 -2.659 0.000) 8.247 28.702 ( 6.683 -9.591 0.000) 11.690 28.983 ( -3.765 -3.852 0.000) 5.386 29.413 ( 7.866 -7.490 0.000) 10.862 29.465 ( 2.445 -4.933 0.000) 5.505 30.455 ( 4.414 4.531 0.000) 6.326 30.718 ( -10.759 17.601 0.000) 20.629 31.672 ( 3.860 -2.856 0.000) 4.802 31.852 ( -2.455 1.271 0.000) 2.764 32.358 ( 0.583 0.043 0.000) 0.585 32.522 ( -5.524 -0.040 0.000) 5.524 33.666 ( 6.913 -12.154 0.000) 13.982 33.807 ( -0.227 -5.987 0.000) 5.991 37.393 ( 4.819 1.959 0.000) 5.201 37.621 ( -6.016 1.993 0.000) 6.338 38.247 ( 8.135 -10.719 0.000) 13.456 38.494 ( -2.402 -15.957 0.000) 16.137 39.803 ( 6.874 3.146 0.000) 7.560 40.077 ( 0.245 2.436 0.000) 2.448 40.142 ( -6.554 2.226 0.000) 6.922 40.210 ( -3.658 4.811 0.000) 6.044 40.759 ( 6.693 4.523 0.000) 8.078 41.111 ( -10.448 10.917 0.000) 15.111 41.460 ( -0.584 0.084 0.000) 0.590 41.587 ( -4.300 0.053 0.000) 4.301 42.631 ( 18.145 5.587 0.000) 18.985 43.457 ( -21.604 -2.961 0.000) 21.806 45.213 ( 11.951 11.174 0.000) 16.361 45.696 ( -11.153 4.982 0.000) 12.215 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( -14.877 25.464 0.000) 29.491 2.505 ( 14.877 25.464 0.000) 29.491 2.994 ( -4.018 -4.580 0.000) 6.093 2.994 ( 4.018 -4.580 0.000) 6.093 3.512 ( -5.521 8.573 0.000) 10.197 3.512 ( 5.521 8.573 0.000) 10.197 3.875 ( -1.504 15.226 0.000) 15.300 3.875 ( 1.504 15.226 0.000) 15.300 5.099 ( -2.696 -6.107 0.000) 6.676 5.099 ( 2.696 -6.107 0.000) 6.676 5.628 ( -6.828 -1.715 0.000) 7.041 5.628 ( 6.828 -1.715 0.000) 7.041 6.053 ( -0.475 2.601 0.000) 2.644 6.053 ( 0.475 2.601 0.000) 2.644 6.264 ( -3.328 -2.433 0.000) 4.122 6.264 ( 3.328 -2.433 0.000) 4.122 6.656 ( -0.914 -6.423 0.000) 6.488 6.656 ( 0.914 -6.423 0.000) 6.488 7.298 ( -4.201 -3.878 0.000) 5.718 7.298 ( 4.201 -3.878 0.000) 5.718 7.848 ( -8.895 11.168 0.000) 14.277 7.848 ( 8.895 11.168 0.000) 14.277 8.594 ( -0.860 -1.068 0.000) 1.372 8.594 ( 0.860 -1.068 0.000) 1.372 9.574 ( -5.114 -1.044 0.000) 5.220 9.574 ( 5.114 -1.044 0.000) 5.220 9.692 ( -2.038 -3.326 0.000) 3.901 9.692 ( 2.038 -3.326 0.000) 3.901 9.827 ( -3.145 0.533 0.000) 3.190 9.827 ( 3.145 0.533 0.000) 3.190 10.835 ( -7.212 -6.711 0.000) 9.852 10.835 ( 7.212 -6.711 0.000) 9.852 11.242 ( -2.182 -0.741 0.000) 2.304 11.242 ( 2.182 -0.741 0.000) 2.304 12.071 ( -1.356 -4.549 0.000) 4.747 12.071 ( 1.356 -4.549 0.000) 4.747 12.481 ( -1.084 -18.187 0.000) 18.219 12.481 ( 1.084 -18.187 0.000) 18.219 12.972 ( -0.434 0.950 0.000) 1.045 12.972 ( 0.434 0.950 0.000) 1.045 13.305 ( -1.569 1.593 0.000) 2.236 13.305 ( 1.569 1.593 0.000) 2.236 13.693 ( -3.763 -0.984 0.000) 3.889 13.693 ( 3.763 -0.984 0.000) 3.889 13.904 ( -0.681 18.476 0.000) 18.489 13.904 ( 0.681 18.476 0.000) 18.489 15.262 ( -8.725 -9.556 0.000) 12.940 15.262 ( 8.725 -9.556 0.000) 12.940 15.543 ( -1.760 -1.173 0.000) 2.116 15.543 ( 1.760 -1.173 0.000) 2.116 15.938 ( -11.483 6.558 0.000) 13.223 15.938 ( 11.483 6.558 0.000) 13.223 16.849 ( -3.683 6.147 0.000) 7.166 16.849 ( 3.683 6.147 0.000) 7.166 17.998 ( -13.575 4.321 0.000) 14.246 17.998 ( 13.575 4.321 0.000) 14.246 18.640 ( -9.952 -3.600 0.000) 10.583 18.640 ( 9.952 -3.600 0.000) 10.583 19.224 ( -3.603 -1.617 0.000) 3.949 19.224 ( 3.603 -1.617 0.000) 3.949 19.655 ( -1.134 -5.819 0.000) 5.929 19.655 ( 1.134 -5.819 0.000) 5.929 19.844 ( -4.640 -1.667 0.000) 4.931 19.844 ( 4.640 -1.667 0.000) 4.931 20.413 ( -7.490 1.510 0.000) 7.641 20.413 ( 7.490 1.510 0.000) 7.641 21.495 ( -6.072 -9.824 0.000) 11.549 21.495 ( 6.072 -9.824 0.000) 11.549 22.292 ( -0.024 4.061 0.000) 4.062 22.292 ( 0.024 4.061 0.000) 4.062 22.638 ( -0.052 0.868 0.000) 0.869 22.638 ( 0.052 0.868 0.000) 0.869 24.791 ( -6.823 12.534 0.000) 14.271 24.791 ( 6.823 12.534 0.000) 14.271 25.477 ( -3.333 3.504 0.000) 4.836 25.477 ( 3.333 3.504 0.000) 4.836 27.482 ( -22.476 2.226 0.000) 22.586 27.482 ( 22.476 2.226 0.000) 22.586 28.115 ( -7.974 -0.835 0.000) 8.018 28.115 ( 7.974 -0.835 0.000) 8.018 28.858 ( -4.261 -9.347 0.000) 10.273 28.858 ( 4.261 -9.347 0.000) 10.273 29.496 ( -0.066 -5.025 0.000) 5.025 29.496 ( 0.066 -5.025 0.000) 5.025 30.548 ( -1.345 11.920 0.000) 11.996 30.548 ( 1.345 11.920 0.000) 11.996 31.767 ( -3.313 -0.930 0.000) 3.441 31.767 ( 3.313 -0.930 0.000) 3.441 32.417 ( -2.377 -0.758 0.000) 2.495 32.417 ( 2.377 -0.758 0.000) 2.495 33.768 ( -3.296 -7.217 0.000) 7.934 33.768 ( 3.296 -7.217 0.000) 7.934 37.501 ( -4.480 2.132 0.000) 4.962 37.501 ( 4.480 2.132 0.000) 4.962 38.399 ( -1.337 -13.404 0.000) 13.471 38.399 ( 1.337 -13.404 0.000) 13.471 39.958 ( -8.327 1.264 0.000) 8.422 39.958 ( 8.327 1.264 0.000) 8.422 40.141 ( -0.649 6.070 0.000) 6.104 40.141 ( 0.649 6.070 0.000) 6.104 40.917 ( -4.816 6.283 0.000) 7.917 40.917 ( 4.816 6.283 0.000) 7.917 41.502 ( -1.892 -0.268 0.000) 1.911 41.502 ( 1.892 -0.268 0.000) 1.911 43.028 ( -16.412 0.489 0.000) 16.419 43.028 ( 16.412 0.489 0.000) 16.419 45.460 ( -12.057 6.522 0.000) 13.708 45.460 ( 12.057 6.522 0.000) 13.708 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.478 ( 0.000 35.054 0.000) 35.054 1.794 ( 0.000 33.236 0.000) 33.236 2.906 ( 0.000 37.904 0.000) 37.904 3.227 ( 0.000 -3.276 0.000) 3.276 3.389 ( 0.000 2.382 0.000) 2.382 3.663 ( 0.000 3.898 0.000) 3.898 4.209 ( 0.000 -21.028 0.000) 21.028 4.608 ( 0.000 -16.076 0.000) 16.076 5.216 ( 0.000 22.545 0.000) 22.545 5.441 ( 0.000 5.232 0.000) 5.232 5.483 ( 0.000 0.250 0.000) 0.250 5.706 ( 0.000 7.635 0.000) 7.635 5.819 ( 0.000 24.366 0.000) 24.366 5.900 ( 0.000 1.122 0.000) 1.122 6.293 ( 0.000 -5.330 0.000) 5.330 6.385 ( 0.000 8.187 0.000) 8.187 6.610 ( 0.000 -9.837 0.000) 9.837 6.653 ( 0.000 -4.461 0.000) 4.461 7.379 ( 0.000 -0.831 0.000) 0.831 7.697 ( 0.000 -7.255 0.000) 7.255 7.783 ( 0.000 15.538 0.000) 15.538 8.306 ( 0.000 12.402 0.000) 12.402 8.441 ( 0.000 13.702 0.000) 13.702 8.759 ( 0.000 -8.700 0.000) 8.700 8.911 ( 0.000 -19.999 0.000) 19.999 9.451 ( 0.000 -11.850 0.000) 11.850 9.521 ( 0.000 -5.209 0.000) 5.209 9.654 ( 0.000 -8.199 0.000) 8.199 9.895 ( 0.000 10.476 0.000) 10.476 10.204 ( 0.000 -4.146 0.000) 4.146 10.299 ( 0.000 4.014 0.000) 4.014 10.643 ( 0.000 -4.987 0.000) 4.987 11.324 ( 0.000 -9.793 0.000) 9.793 11.645 ( 0.000 -19.996 0.000) 19.996 11.689 ( 0.000 3.183 0.000) 3.183 11.799 ( 0.000 -0.237 0.000) 0.237 12.127 ( 0.000 6.281 0.000) 6.281 12.329 ( 0.000 -9.338 0.000) 9.338 12.928 ( 0.000 -1.477 0.000) 1.477 12.962 ( 0.000 -0.204 0.000) 0.204 13.180 ( 0.000 -6.537 0.000) 6.537 13.406 ( 0.000 -2.313 0.000) 2.313 13.882 ( 0.000 4.757 0.000) 4.757 14.099 ( 0.000 3.846 0.000) 3.846 14.162 ( 0.000 3.158 0.000) 3.158 14.229 ( 0.000 14.486 0.000) 14.486 14.444 ( 0.000 -2.572 0.000) 2.572 15.312 ( 0.000 -13.785 0.000) 13.785 15.562 ( 0.000 -7.331 0.000) 7.331 15.708 ( 0.000 11.583 0.000) 11.583 15.994 ( 0.000 -0.403 0.000) 0.403 16.666 ( 0.000 10.984 0.000) 10.984 16.838 ( 0.000 -3.474 0.000) 3.474 17.113 ( 0.000 -4.875 0.000) 4.875 17.672 ( 0.000 3.573 0.000) 3.573 17.925 ( 0.000 1.147 0.000) 1.147 18.676 ( 0.000 5.953 0.000) 5.953 18.688 ( 0.000 6.009 0.000) 6.009 19.028 ( 0.000 -3.156 0.000) 3.156 19.143 ( 0.000 -2.701 0.000) 2.701 19.305 ( 0.000 2.312 0.000) 2.312 19.448 ( 0.000 -0.505 0.000) 0.505 19.579 ( 0.000 9.202 0.000) 9.202 20.062 ( 0.000 -4.475 0.000) 4.475 20.088 ( 0.000 -4.758 0.000) 4.758 20.610 ( 0.000 -17.711 0.000) 17.711 21.313 ( 0.000 -4.302 0.000) 4.302 21.498 ( 0.000 -17.739 0.000) 17.739 22.317 ( 0.000 1.695 0.000) 1.695 22.318 ( 0.000 3.129 0.000) 3.129 22.670 ( 0.000 0.251 0.000) 0.251 22.744 ( 0.000 -2.469 0.000) 2.469 24.874 ( 0.000 34.725 0.000) 34.725 25.491 ( 0.000 14.797 0.000) 14.797 25.585 ( 0.000 -1.010 0.000) 1.010 26.504 ( 0.000 11.745 0.000) 11.745 26.630 ( 0.000 1.307 0.000) 1.307 27.019 ( 0.000 -7.774 0.000) 7.774 28.255 ( 0.000 -10.068 0.000) 10.068 28.512 ( 0.000 -0.213 0.000) 0.213 28.621 ( 0.000 -12.486 0.000) 12.486 28.881 ( 0.000 -7.479 0.000) 7.479 28.882 ( 0.000 -0.682 0.000) 0.682 29.112 ( 0.000 -13.974 0.000) 13.974 30.481 ( 0.000 21.718 0.000) 21.718 31.444 ( 0.000 -9.470 0.000) 9.470 31.468 ( 0.000 18.056 0.000) 18.056 31.896 ( 0.000 1.869 0.000) 1.869 32.697 ( 0.000 1.156 0.000) 1.156 32.699 ( 0.000 4.385 0.000) 4.385 32.976 ( 0.000 -2.813 0.000) 2.813 33.520 ( 0.000 -13.800 0.000) 13.800 37.341 ( 0.000 3.442 0.000) 3.442 37.626 ( 0.000 -5.942 0.000) 5.942 38.073 ( 0.000 -0.358 0.000) 0.358 38.272 ( 0.000 -6.149 0.000) 6.149 39.768 ( 0.000 7.657 0.000) 7.657 40.097 ( 0.000 2.503 0.000) 2.503 40.188 ( 0.000 -5.233 0.000) 5.233 40.295 ( 0.000 -3.593 0.000) 3.593 40.773 ( 0.000 7.656 0.000) 7.656 41.234 ( 0.000 -6.285 0.000) 6.285 41.676 ( 0.000 -0.621 0.000) 0.621 41.709 ( 0.000 -4.127 0.000) 4.127 42.727 ( 0.000 18.502 0.000) 18.502 43.816 ( 0.000 -18.852 0.000) 18.852 45.345 ( 0.000 16.836 0.000) 16.836 46.044 ( 0.000 -7.113 0.000) 7.113 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.699 ( 21.375 26.157 0.000) 33.780 2.090 ( 26.093 28.629 0.000) 38.736 3.001 ( 9.945 27.771 0.000) 29.497 3.183 ( -3.767 0.048 0.000) 3.767 3.480 ( 8.621 8.621 0.000) 12.192 3.630 ( -4.776 7.549 0.000) 8.933 4.191 ( -1.517 -18.977 0.000) 19.038 4.673 ( 6.835 -16.876 0.000) 18.207 5.076 ( -15.750 23.919 0.000) 28.639 5.312 ( -9.663 3.578 0.000) 10.304 5.370 ( -4.200 1.829 0.000) 4.581 5.756 ( -2.929 16.492 0.000) 16.751 5.887 ( 11.656 6.126 0.000) 13.168 6.004 ( 5.745 3.136 0.000) 6.545 6.278 ( -1.305 -3.821 0.000) 4.038 6.436 ( 3.969 6.048 0.000) 7.234 6.576 ( -3.536 -8.730 0.000) 9.419 6.644 ( -1.175 -3.256 0.000) 3.461 7.247 ( -9.891 -0.550 0.000) 9.906 7.679 ( -10.128 17.983 0.000) 20.639 7.724 ( 1.339 -11.339 0.000) 11.417 8.348 ( 8.516 9.998 0.000) 13.133 8.562 ( -0.142 8.434 0.000) 8.435 8.620 ( -6.051 -4.771 0.000) 7.705 9.006 ( 8.863 -20.132 0.000) 21.997 9.520 ( 0.535 -4.167 0.000) 4.201 9.564 ( 6.712 -11.569 0.000) 13.374 9.641 ( -0.328 -6.477 0.000) 6.485 9.895 ( -1.670 8.830 0.000) 8.987 10.198 ( -6.521 0.293 0.000) 6.528 10.291 ( 5.997 -1.126 0.000) 6.102 10.661 ( 2.380 -6.693 0.000) 7.103 11.299 ( -2.346 -7.326 0.000) 7.693 11.479 ( -9.171 -5.919 0.000) 10.915 11.781 ( 3.176 -6.240 0.000) 7.002 11.889 ( 7.398 -5.222 0.000) 9.055 12.096 ( -2.270 -0.626 0.000) 2.355 12.334 ( -0.612 -8.279 0.000) 8.302 12.966 ( 0.450 0.522 0.000) 0.690 12.973 ( 3.493 -1.158 0.000) 3.680 13.163 ( -0.513 -4.872 0.000) 4.898 13.428 ( 1.845 -2.110 0.000) 2.803 13.816 ( -6.368 6.073 0.000) 8.799 13.918 ( -10.527 1.861 0.000) 10.690 14.156 ( 0.613 13.882 0.000) 13.896 14.330 ( -0.194 3.235 0.000) 3.241 14.522 ( 11.051 2.873 0.000) 11.418 15.296 ( -1.293 -11.086 0.000) 11.161 15.549 ( -0.365 -7.069 0.000) 7.078 15.739 ( 1.205 0.684 0.000) 1.386 15.906 ( -7.046 7.358 0.000) 10.188 16.536 ( -14.054 1.057 0.000) 14.094 16.812 ( 2.457 7.623 0.000) 8.009 17.169 ( 0.838 -2.126 0.000) 2.285 17.662 ( 4.062 7.424 0.000) 8.462 18.059 ( 9.918 -3.033 0.000) 10.371 18.587 ( -7.889 6.611 0.000) 10.293 18.769 ( 6.171 2.408 0.000) 6.625 19.078 ( -2.508 -2.038 0.000) 3.231 19.116 ( 4.496 -4.767 0.000) 6.553 19.328 ( 1.739 1.601 0.000) 2.364 19.482 ( 2.989 -1.545 0.000) 3.364 19.650 ( 6.232 6.765 0.000) 9.198 19.976 ( -4.396 -4.240 0.000) 6.107 20.163 ( 3.370 -3.390 0.000) 4.779 20.619 ( 0.831 -14.893 0.000) 14.917 21.236 ( -5.191 -5.282 0.000) 7.406 21.524 ( -0.213 -16.736 0.000) 16.737 22.324 ( 0.782 2.417 0.000) 2.540 22.336 ( 1.458 2.938 0.000) 3.280 22.666 ( -0.334 0.308 0.000) 0.454 22.715 ( -2.396 -1.013 0.000) 2.601 24.860 ( -0.386 31.776 0.000) 31.778 25.413 ( -5.550 11.818 0.000) 13.056 25.564 ( -2.671 5.295 0.000) 5.931 26.185 ( -21.800 -0.610 0.000) 21.808 26.788 ( 14.001 9.416 0.000) 16.873 27.341 ( 22.464 -5.506 0.000) 23.129 28.172 ( -6.557 -6.599 0.000) 9.303 28.400 ( -12.143 -5.148 0.000) 13.189 28.544 ( -0.771 -3.618 0.000) 3.699 28.932 ( -1.440 -8.011 0.000) 8.139 29.014 ( 11.118 -8.797 0.000) 14.177 29.188 ( 7.227 -11.042 0.000) 13.197 30.542 ( 5.439 18.397 0.000) 19.184 31.310 ( -9.280 11.354 0.000) 14.664 31.531 ( 2.574 -0.178 0.000) 2.580 31.904 ( 0.172 1.403 0.000) 1.414 32.463 ( -9.845 1.990 0.000) 10.044 32.661 ( -7.804 0.394 0.000) 7.814 33.206 ( 15.064 -6.300 0.000) 16.328 33.585 ( 4.840 -11.719 0.000) 12.679 37.370 ( 2.894 3.613 0.000) 4.629 37.658 ( 2.118 -5.009 0.000) 5.438 38.035 ( -2.294 -1.358 0.000) 2.666 38.274 ( -0.502 -8.312 0.000) 8.327 39.798 ( 2.913 6.739 0.000) 7.342 40.106 ( 0.836 2.191 0.000) 2.345 40.202 ( 1.031 -4.815 0.000) 4.924 40.251 ( -4.085 -2.683 0.000) 4.888 40.798 ( 2.755 8.056 0.000) 8.514 41.246 ( 1.126 -4.836 0.000) 4.966 41.638 ( -5.230 -0.334 0.000) 5.241 41.662 ( -3.814 -0.800 0.000) 3.897 42.697 ( -0.417 18.169 0.000) 18.174 43.666 ( -13.277 -14.133 0.000) 19.391 45.362 ( 2.301 15.988 0.000) 16.153 45.948 ( -8.041 -2.791 0.000) 8.512 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.243 ( 29.971 13.218 0.000) 32.756 2.637 ( 24.443 14.791 0.000) 28.569 3.066 ( -6.764 0.181 0.000) 6.767 3.290 ( 5.406 10.094 0.000) 11.450 3.441 ( -0.446 12.208 0.000) 12.216 3.749 ( 16.058 27.927 0.000) 32.214 4.157 ( -3.041 -7.733 0.000) 8.310 4.655 ( -23.732 24.777 0.000) 34.309 4.848 ( 8.040 -15.481 0.000) 17.444 5.133 ( -8.682 1.353 0.000) 8.787 5.329 ( 2.290 -2.143 0.000) 3.136 5.718 ( -2.546 5.494 0.000) 6.056 6.064 ( 0.897 1.989 0.000) 2.182 6.092 ( 7.635 0.830 0.000) 7.680 6.228 ( -3.267 -2.204 0.000) 3.941 6.438 ( -10.447 -0.987 0.000) 10.494 6.510 ( 3.315 4.337 0.000) 5.459 6.613 ( -1.612 -0.289 0.000) 1.638 7.141 ( 1.311 -5.068 0.000) 5.235 7.467 ( -10.257 9.736 0.000) 14.142 7.766 ( 5.019 -2.149 0.000) 5.459 8.286 ( -16.571 -3.964 0.000) 17.038 8.550 ( 8.769 7.378 0.000) 11.459 8.668 ( 1.506 8.331 0.000) 8.466 9.225 ( 12.220 -15.495 0.000) 19.734 9.533 ( 0.890 -6.133 0.000) 6.197 9.634 ( -0.952 -9.614 0.000) 9.661 9.652 ( 1.137 -4.154 0.000) 4.307 9.810 ( -4.841 5.623 0.000) 7.420 10.005 ( -10.696 -0.160 0.000) 10.697 10.496 ( 12.147 -3.397 0.000) 12.613 10.731 ( 3.047 -7.416 0.000) 8.018 11.236 ( -3.202 -0.820 0.000) 3.305 11.326 ( -5.887 -4.290 0.000) 7.284 11.847 ( 3.621 -8.281 0.000) 9.038 11.989 ( -0.240 -5.375 0.000) 5.380 12.082 ( 3.195 -10.632 0.000) 11.101 12.283 ( -4.280 -10.063 0.000) 10.935 12.976 ( 0.550 1.490 0.000) 1.588 13.005 ( -0.550 -0.395 0.000) 0.677 13.225 ( 6.591 -1.405 0.000) 6.739 13.451 ( -0.797 -1.249 0.000) 1.482 13.672 ( -5.196 7.535 0.000) 9.153 13.759 ( -6.070 0.408 0.000) 6.084 14.178 ( 1.527 12.497 0.000) 12.590 14.277 ( -3.381 8.258 0.000) 8.924 14.808 ( 15.883 0.228 0.000) 15.885 15.271 ( -2.091 -8.697 0.000) 8.945 15.509 ( -4.046 -5.716 0.000) 7.003 15.667 ( -8.245 -5.630 0.000) 9.984 15.865 ( 4.571 10.608 0.000) 11.551 16.237 ( -13.487 -0.585 0.000) 13.500 16.904 ( 5.260 9.282 0.000) 10.669 17.109 ( -5.126 5.665 0.000) 7.639 17.846 ( 12.377 7.258 0.000) 14.348 18.278 ( 11.129 -5.679 0.000) 12.494 18.385 ( -11.194 5.909 0.000) 12.658 18.769 ( -8.702 -3.955 0.000) 9.558 19.071 ( 6.253 -0.568 0.000) 6.279 19.274 ( 3.675 -0.975 0.000) 3.802 19.358 ( 5.438 -2.920 0.000) 6.172 19.545 ( 2.525 -3.866 0.000) 4.618 19.760 ( 3.300 0.817 0.000) 3.400 19.894 ( -4.318 -3.850 0.000) 5.785 20.245 ( 6.662 1.223 0.000) 6.774 20.606 ( -3.941 -6.375 0.000) 7.495 21.177 ( 0.677 -8.134 0.000) 8.162 21.444 ( -7.321 -14.160 0.000) 15.941 22.345 ( 1.209 3.038 0.000) 3.270 22.363 ( 0.896 3.038 0.000) 3.167 22.658 ( -0.413 0.501 0.000) 0.649 22.672 ( -1.529 0.498 0.000) 1.608 24.909 ( 6.126 24.190 0.000) 24.954 25.292 ( -7.206 13.774 0.000) 15.545 25.516 ( -1.206 6.094 0.000) 6.212 25.770 ( -17.685 -1.593 0.000) 17.757 27.147 ( 20.314 8.792 0.000) 22.135 27.737 ( 13.251 -4.096 0.000) 13.869 27.967 ( -11.497 -1.448 0.000) 11.587 28.219 ( -6.166 -5.488 0.000) 8.255 28.564 ( 3.179 -4.267 0.000) 5.322 28.833 ( -7.209 -9.840 0.000) 12.198 29.223 ( 8.604 -9.695 0.000) 12.962 29.316 ( 4.257 -9.528 0.000) 10.436 30.675 ( 7.680 16.172 0.000) 17.903 31.089 ( -12.259 17.910 0.000) 21.703 31.596 ( 4.785 -4.214 0.000) 6.376 31.865 ( -4.808 -0.503 0.000) 4.834 32.357 ( -1.022 0.068 0.000) 1.024 32.502 ( -7.011 -2.403 0.000) 7.411 33.462 ( 10.179 -7.416 0.000) 12.594 33.651 ( 0.885 -9.203 0.000) 9.246 37.451 ( 4.997 3.912 0.000) 6.346 37.654 ( -3.051 0.825 0.000) 3.160 38.043 ( 3.549 -8.185 0.000) 8.921 38.235 ( -3.415 -10.953 0.000) 11.473 39.878 ( 4.928 4.680 0.000) 6.796 40.103 ( -3.445 0.749 0.000) 3.525 40.173 ( -1.020 -0.085 0.000) 1.023 40.214 ( -0.129 -2.991 0.000) 2.994 40.896 ( 7.135 8.721 0.000) 11.268 41.246 ( -3.526 1.616 0.000) 3.879 41.485 ( -5.657 2.639 0.000) 6.242 41.585 ( -4.443 -0.326 0.000) 4.455 42.787 ( 9.380 9.895 0.000) 13.634 43.358 ( -16.438 -7.027 0.000) 17.877 45.448 ( 6.148 11.700 0.000) 13.217 45.772 ( -9.057 1.916 0.000) 9.257 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.790 ( -17.720 4.158 0.000) 18.201 2.790 ( 17.720 4.158 0.000) 18.201 3.022 ( -3.982 4.476 0.000) 5.992 3.022 ( 3.982 4.476 0.000) 5.992 3.828 ( -11.358 20.376 0.000) 23.328 3.828 ( 11.358 20.376 0.000) 23.328 4.217 ( -13.066 19.157 0.000) 23.189 4.217 ( 13.066 19.157 0.000) 23.189 4.969 ( -4.154 -5.772 0.000) 7.112 4.969 ( 4.154 -5.772 0.000) 7.112 5.532 ( -7.179 -8.686 0.000) 11.268 5.532 ( 7.179 -8.686 0.000) 11.268 6.131 ( -0.712 3.683 0.000) 3.751 6.131 ( 0.712 3.683 0.000) 3.751 6.238 ( -6.711 1.177 0.000) 6.813 6.238 ( 6.711 1.177 0.000) 6.813 6.572 ( -0.546 1.515 0.000) 1.611 6.572 ( 0.546 1.515 0.000) 1.611 7.266 ( -7.681 -0.765 0.000) 7.719 7.266 ( 7.681 -0.765 0.000) 7.719 7.966 ( -7.491 0.123 0.000) 7.492 7.966 ( 7.491 0.123 0.000) 7.492 8.661 ( -0.239 8.133 0.000) 8.137 8.661 ( 0.239 8.133 0.000) 8.137 9.461 ( -3.293 -11.888 0.000) 12.335 9.461 ( 3.293 -11.888 0.000) 12.335 9.624 ( -1.333 -3.179 0.000) 3.447 9.624 ( 1.333 -3.179 0.000) 3.447 9.826 ( -6.211 0.005 0.000) 6.211 9.826 ( 6.211 0.005 0.000) 6.211 10.701 ( -2.273 -5.615 0.000) 6.057 10.701 ( 2.273 -5.615 0.000) 6.057 11.232 ( -3.045 -0.624 0.000) 3.108 11.232 ( 3.045 -0.624 0.000) 3.108 11.927 ( -3.820 -8.964 0.000) 9.744 11.927 ( 3.820 -8.964 0.000) 9.744 12.182 ( -4.064 -11.112 0.000) 11.832 12.182 ( 4.064 -11.112 0.000) 11.832 12.988 ( -0.093 1.074 0.000) 1.078 12.988 ( 0.093 1.074 0.000) 1.078 13.367 ( -3.398 0.693 0.000) 3.468 13.367 ( 3.398 0.693 0.000) 3.468 13.663 ( -3.041 2.262 0.000) 3.790 13.663 ( 3.041 2.262 0.000) 3.790 14.217 ( -0.348 10.995 0.000) 11.001 14.217 ( 0.348 10.995 0.000) 11.001 15.116 ( -5.190 -5.078 0.000) 7.261 15.116 ( 5.190 -5.078 0.000) 7.261 15.511 ( -1.263 -1.317 0.000) 1.825 15.511 ( 1.263 -1.317 0.000) 1.825 16.014 ( -8.789 0.737 0.000) 8.819 16.014 ( 8.789 0.737 0.000) 8.819 17.005 ( -2.100 8.970 0.000) 9.213 17.005 ( 2.100 8.970 0.000) 9.213 18.113 ( -13.390 7.116 0.000) 15.164 18.113 ( 13.390 7.116 0.000) 15.164 18.538 ( -11.419 -6.470 0.000) 13.124 18.538 ( 11.419 -6.470 0.000) 13.124 19.212 ( -2.909 0.717 0.000) 2.996 19.212 ( 2.909 0.717 0.000) 2.996 19.526 ( -1.770 -6.848 0.000) 7.073 19.526 ( 1.770 -6.848 0.000) 7.073 19.807 ( -2.130 -2.094 0.000) 2.988 19.807 ( 2.130 -2.094 0.000) 2.988 20.441 ( -3.042 1.495 0.000) 3.389 20.441 ( 3.042 1.495 0.000) 3.389 21.276 ( -2.514 -11.408 0.000) 11.682 21.276 ( 2.514 -11.408 0.000) 11.682 22.365 ( -0.051 3.146 0.000) 3.146 22.365 ( 0.051 3.146 0.000) 3.146 22.655 ( -0.082 0.737 0.000) 0.742 22.655 ( 0.082 0.737 0.000) 0.742 25.097 ( -2.190 17.230 0.000) 17.368 25.097 ( 2.190 17.230 0.000) 17.368 25.545 ( -0.562 2.637 0.000) 2.696 25.545 ( 0.562 2.637 0.000) 2.696 27.551 ( -16.791 4.992 0.000) 17.517 27.551 ( 16.791 4.992 0.000) 17.517 28.068 ( -4.600 -4.675 0.000) 6.559 28.068 ( 4.600 -4.675 0.000) 6.559 28.677 ( -4.794 -7.887 0.000) 9.230 28.677 ( 4.794 -7.887 0.000) 9.230 29.336 ( -0.673 -9.817 0.000) 9.840 29.336 ( 0.673 -9.817 0.000) 9.840 30.855 ( -2.584 17.757 0.000) 17.944 30.855 ( 2.584 17.757 0.000) 17.944 31.727 ( -3.721 -3.510 0.000) 5.115 31.727 ( 3.721 -3.510 0.000) 5.115 32.393 ( -1.046 -1.556 0.000) 1.875 32.393 ( 1.046 -1.556 0.000) 1.875 33.611 ( -4.016 -7.722 0.000) 8.704 33.611 ( 4.016 -7.722 0.000) 8.704 37.560 ( -3.700 3.734 0.000) 5.257 37.560 ( 3.700 3.734 0.000) 5.257 38.143 ( -0.727 -11.630 0.000) 11.653 38.143 ( 0.727 -11.630 0.000) 11.653 39.990 ( -5.560 2.210 0.000) 5.983 39.990 ( 5.560 2.210 0.000) 5.983 40.195 ( -0.248 -0.657 0.000) 0.702 40.195 ( 0.248 -0.657 0.000) 0.702 41.077 ( -5.043 8.742 0.000) 10.093 41.077 ( 5.043 8.742 0.000) 10.093 41.493 ( -1.357 -0.632 0.000) 1.497 41.493 ( 1.357 -0.632 0.000) 1.497 43.039 ( -6.028 0.475 0.000) 6.047 43.039 ( 6.028 0.475 0.000) 6.047 45.596 ( -8.199 6.391 0.000) 10.395 45.596 ( 8.199 6.391 0.000) 10.395 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.071 ( 0.000 23.350 0.000) 23.350 2.234 ( 0.000 9.200 0.000) 9.200 3.082 ( 0.000 -2.720 0.000) 2.720 3.125 ( 0.000 -6.268 0.000) 6.268 3.482 ( 0.000 8.002 0.000) 8.002 3.714 ( 0.000 -13.969 0.000) 13.969 4.107 ( 0.000 14.016 0.000) 14.016 4.345 ( 0.000 -11.350 0.000) 11.350 5.445 ( 0.000 1.823 0.000) 1.823 5.469 ( 0.000 -1.166 0.000) 1.166 5.654 ( 0.000 14.838 0.000) 14.838 5.857 ( 0.000 -6.159 0.000) 6.159 5.960 ( 0.000 16.239 0.000) 16.239 6.206 ( 0.000 -6.604 0.000) 6.604 6.342 ( 0.000 16.922 0.000) 16.922 6.433 ( 0.000 -5.751 0.000) 5.751 6.631 ( 0.000 17.950 0.000) 17.950 6.742 ( 0.000 23.902 0.000) 23.902 7.139 ( 0.000 -22.392 0.000) 22.392 7.353 ( 0.000 -29.797 0.000) 29.797 8.044 ( 0.000 12.967 0.000) 12.967 8.352 ( 0.000 -20.566 0.000) 20.566 8.590 ( 0.000 14.053 0.000) 14.053 8.760 ( 0.000 7.185 0.000) 7.185 8.790 ( 0.000 7.168 0.000) 7.168 9.143 ( 0.000 -18.031 0.000) 18.031 9.464 ( 0.000 -1.471 0.000) 1.471 9.499 ( 0.000 -5.815 0.000) 5.815 10.089 ( 0.000 7.383 0.000) 7.383 10.157 ( 0.000 -1.225 0.000) 1.225 10.384 ( 0.000 5.757 0.000) 5.757 10.525 ( 0.000 -7.301 0.000) 7.301 11.178 ( 0.000 -2.819 0.000) 2.819 11.282 ( 0.000 -13.623 0.000) 13.623 11.771 ( 0.000 3.416 0.000) 3.416 11.799 ( 0.000 -0.086 0.000) 0.086 12.232 ( 0.000 -0.613 0.000) 0.613 12.237 ( 0.000 1.919 0.000) 1.919 12.905 ( 0.000 -0.665 0.000) 0.665 12.922 ( 0.000 -2.834 0.000) 2.834 13.141 ( 0.000 3.538 0.000) 3.538 13.271 ( 0.000 -8.625 0.000) 8.625 14.000 ( 0.000 6.238 0.000) 6.238 14.084 ( 0.000 -2.413 0.000) 2.413 14.255 ( 0.000 4.423 0.000) 4.423 14.333 ( 0.000 -3.665 0.000) 3.665 14.654 ( 0.000 20.131 0.000) 20.131 15.019 ( 0.000 -16.721 0.000) 16.721 15.484 ( 0.000 -0.055 0.000) 0.055 15.585 ( 0.000 -10.261 0.000) 10.261 16.297 ( 0.000 19.398 0.000) 19.398 16.609 ( 0.000 -11.978 0.000) 11.978 16.925 ( 0.000 7.080 0.000) 7.080 17.030 ( 0.000 -4.180 0.000) 4.180 17.775 ( 0.000 6.581 0.000) 6.581 17.892 ( 0.000 -4.404 0.000) 4.404 18.802 ( 0.000 5.656 0.000) 5.656 18.802 ( 0.000 4.600 0.000) 4.600 18.971 ( 0.000 -1.408 0.000) 1.408 19.045 ( 0.000 -6.840 0.000) 6.840 19.361 ( 0.000 3.161 0.000) 3.161 19.418 ( 0.000 -2.424 0.000) 2.424 19.824 ( 0.000 14.921 0.000) 14.921 19.997 ( 0.000 -4.404 0.000) 4.404 20.008 ( 0.000 0.784 0.000) 0.784 20.235 ( 0.000 -19.462 0.000) 19.462 21.247 ( 0.000 -1.843 0.000) 1.843 21.274 ( 0.000 -5.578 0.000) 5.578 22.351 ( 0.000 1.402 0.000) 1.402 22.358 ( 0.000 0.822 0.000) 0.822 22.678 ( 0.000 0.719 0.000) 0.719 22.702 ( 0.000 -1.737 0.000) 1.737 25.407 ( 0.000 15.642 0.000) 15.642 25.553 ( 0.000 -2.938 0.000) 2.938 25.849 ( 0.000 25.587 0.000) 25.587 26.389 ( 0.000 -24.759 0.000) 24.759 26.761 ( 0.000 12.570 0.000) 12.570 26.923 ( 0.000 -3.886 0.000) 3.886 28.199 ( 0.000 3.985 0.000) 3.985 28.368 ( 0.000 -12.026 0.000) 12.026 28.542 ( 0.000 3.709 0.000) 3.709 28.683 ( 0.000 -10.543 0.000) 10.543 28.884 ( 0.000 1.178 0.000) 1.178 28.938 ( 0.000 -4.789 0.000) 4.789 30.884 ( 0.000 19.142 0.000) 19.142 31.213 ( 0.000 -14.419 0.000) 14.419 31.762 ( 0.000 11.180 0.000) 11.180 31.894 ( 0.000 -2.790 0.000) 2.790 32.734 ( 0.000 2.547 0.000) 2.547 32.769 ( 0.000 0.579 0.000) 0.579 32.988 ( 0.000 6.855 0.000) 6.855 33.226 ( 0.000 -15.284 0.000) 15.284 37.419 ( 0.000 4.523 0.000) 4.523 37.515 ( 0.000 -5.348 0.000) 5.348 38.088 ( 0.000 2.135 0.000) 2.135 38.159 ( 0.000 -5.037 0.000) 5.037 39.925 ( 0.000 8.150 0.000) 8.150 40.073 ( 0.000 -6.775 0.000) 6.775 40.150 ( 0.000 2.996 0.000) 2.996 40.217 ( 0.000 -3.936 0.000) 3.936 40.932 ( 0.000 8.436 0.000) 8.436 41.093 ( 0.000 -7.935 0.000) 7.935 41.663 ( 0.000 -0.501 0.000) 0.501 41.664 ( 0.000 -0.856 0.000) 0.856 43.090 ( 0.000 18.720 0.000) 18.720 43.453 ( 0.000 -18.561 0.000) 18.561 45.642 ( 0.000 13.620 0.000) 13.620 45.875 ( 0.000 -10.334 0.000) 10.334 ======================= Grid point 22 (14/96) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.177 ( 11.724 21.259 0.000) 24.277 2.416 ( 14.785 1.022 0.000) 14.820 3.119 ( 5.820 5.578 0.000) 8.061 3.245 ( 6.666 -2.152 0.000) 7.005 3.546 ( 6.427 3.224 0.000) 7.190 3.702 ( 0.402 -11.811 0.000) 11.818 4.143 ( 4.163 13.320 0.000) 13.956 4.379 ( 4.514 -12.496 0.000) 13.286 5.357 ( -9.332 2.765 0.000) 9.733 5.384 ( -6.959 0.055 0.000) 6.959 5.551 ( -9.550 20.230 0.000) 22.371 5.837 ( -3.505 -7.664 0.000) 8.428 6.027 ( 4.705 7.952 0.000) 9.240 6.192 ( -1.134 -6.515 0.000) 6.612 6.286 ( -4.725 14.101 0.000) 14.871 6.387 ( -3.587 -4.566 0.000) 5.806 6.696 ( 4.023 16.736 0.000) 17.213 6.728 ( 2.443 16.609 0.000) 16.788 7.138 ( -5.048 -10.689 0.000) 11.821 7.338 ( 2.544 -26.360 0.000) 26.482 7.984 ( -7.415 13.689 0.000) 15.568 8.303 ( -6.198 -20.329 0.000) 21.253 8.552 ( 2.420 10.082 0.000) 10.368 8.715 ( 0.289 -5.943 0.000) 5.950 8.917 ( 8.089 17.110 0.000) 18.925 9.277 ( 7.376 -17.845 0.000) 19.309 9.460 ( 0.679 0.110 0.000) 0.688 9.525 ( 2.064 -5.273 0.000) 5.663 10.058 ( -4.376 6.911 0.000) 8.181 10.155 ( -3.611 -3.502 0.000) 5.030 10.355 ( 1.369 7.099 0.000) 7.229 10.521 ( 1.439 -8.277 0.000) 8.401 11.182 ( 0.492 -1.825 0.000) 1.890 11.278 ( -0.990 -10.500 0.000) 10.547 11.782 ( 1.014 3.431 0.000) 3.578 11.833 ( 2.989 -1.894 0.000) 3.539 12.113 ( -7.628 3.234 0.000) 8.286 12.220 ( -4.291 -5.816 0.000) 7.228 12.956 ( 3.999 -0.593 0.000) 4.043 12.957 ( 2.718 -0.914 0.000) 2.868 13.148 ( 1.336 4.169 0.000) 4.378 13.288 ( 1.654 -9.059 0.000) 9.209 13.941 ( -5.159 5.704 0.000) 7.691 13.980 ( -7.573 1.778 0.000) 7.779 14.286 ( 1.335 3.003 0.000) 3.286 14.348 ( 0.733 -2.776 0.000) 2.871 14.732 ( 7.321 16.678 0.000) 18.214 15.049 ( 2.659 -14.673 0.000) 14.912 15.463 ( -1.392 -0.375 0.000) 1.442 15.556 ( -2.379 -9.571 0.000) 9.862 16.221 ( -7.022 15.806 0.000) 17.295 16.458 ( -12.685 -8.362 0.000) 15.193 16.978 ( 4.687 8.230 0.000) 9.471 17.107 ( 4.828 -4.781 0.000) 6.795 17.815 ( 5.414 8.293 0.000) 9.903 17.967 ( 6.652 -6.625 0.000) 9.388 18.728 ( -7.485 7.223 0.000) 10.402 18.817 ( -1.420 0.148 0.000) 1.428 19.001 ( -0.191 -2.171 0.000) 2.179 19.043 ( 6.278 -3.976 0.000) 7.432 19.382 ( 1.210 3.271 0.000) 3.488 19.441 ( 1.848 -2.631 0.000) 3.215 19.808 ( -1.403 8.253 0.000) 8.372 19.909 ( -4.406 -2.880 0.000) 5.263 20.128 ( 7.550 1.953 0.000) 7.798 20.310 ( 6.768 -15.182 0.000) 16.622 21.188 ( -4.273 0.928 0.000) 4.372 21.279 ( -1.259 -8.469 0.000) 8.563 22.364 ( 1.228 1.554 0.000) 1.981 22.374 ( 1.367 0.725 0.000) 1.547 22.674 ( -0.363 0.586 0.000) 0.689 22.691 ( -0.900 -1.163 0.000) 1.471 25.388 ( -1.956 17.871 0.000) 17.978 25.530 ( -1.900 -0.143 0.000) 1.905 25.732 ( -8.708 15.083 0.000) 17.416 26.067 ( -21.251 -13.562 0.000) 25.210 26.998 ( 16.849 11.421 0.000) 20.355 27.198 ( 20.748 -8.804 0.000) 22.539 28.134 ( -5.575 2.966 0.000) 6.314 28.258 ( -8.765 -8.422 0.000) 12.155 28.538 ( -0.201 3.549 0.000) 3.554 28.690 ( -0.652 -11.850 0.000) 11.868 28.965 ( 6.920 0.960 0.000) 6.986 29.028 ( 7.196 -5.617 0.000) 9.128 30.910 ( 2.766 18.131 0.000) 18.341 31.218 ( 0.802 -12.960 0.000) 12.985 31.736 ( -3.365 12.255 0.000) 12.709 31.890 ( -1.168 -3.656 0.000) 3.838 32.520 ( -11.749 4.302 0.000) 12.512 32.618 ( -11.626 -4.652 0.000) 12.522 33.190 ( 12.547 4.455 0.000) 13.315 33.352 ( 8.551 -11.211 0.000) 14.100 37.453 ( 3.268 4.777 0.000) 5.788 37.553 ( 3.494 -5.428 0.000) 6.455 38.048 ( -3.580 2.625 0.000) 4.440 38.133 ( -2.592 -5.981 0.000) 6.518 39.941 ( 1.550 7.672 0.000) 7.827 40.085 ( 1.079 -6.720 0.000) 6.806 40.148 ( -0.263 1.963 0.000) 1.981 40.194 ( -2.009 -2.764 0.000) 3.417 40.964 ( 3.327 8.666 0.000) 9.283 41.124 ( 2.979 -7.468 0.000) 8.040 41.635 ( -2.929 0.170 0.000) 2.934 41.645 ( -2.319 -0.784 0.000) 2.448 43.044 ( -3.730 17.328 0.000) 17.725 43.369 ( -7.594 -16.090 0.000) 17.792 45.637 ( -0.233 12.238 0.000) 12.240 45.837 ( -3.410 -8.205 0.000) 8.886 ======================= Grid point 23 (15/96) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.506 ( 19.420 13.576 0.000) 23.695 2.721 ( 14.874 -6.130 0.000) 16.088 3.128 ( -7.041 7.615 0.000) 10.371 3.279 ( -8.699 -5.895 0.000) 10.508 3.730 ( 19.466 13.601 0.000) 23.747 3.939 ( 19.575 -7.812 0.000) 21.076 4.278 ( 8.643 15.275 0.000) 17.551 4.538 ( 9.733 -13.826 0.000) 16.908 5.102 ( -17.067 14.460 0.000) 22.369 5.176 ( -11.960 2.402 0.000) 12.199 5.342 ( -9.223 7.264 0.000) 11.740 5.629 ( -16.420 -14.316 0.000) 21.785 6.114 ( 3.670 3.556 0.000) 5.110 6.182 ( 0.057 -2.228 0.000) 2.229 6.219 ( -0.859 6.640 0.000) 6.695 6.314 ( -3.676 -5.127 0.000) 6.309 6.735 ( 2.578 14.368 0.000) 14.597 6.878 ( 4.818 24.620 0.000) 25.087 7.011 ( -1.020 -9.321 0.000) 9.377 7.370 ( -3.181 -19.744 0.000) 19.998 7.848 ( -2.426 11.657 0.000) 11.907 8.108 ( -10.942 -13.202 0.000) 17.147 8.694 ( 8.434 5.386 0.000) 10.007 8.792 ( 4.845 -3.425 0.000) 5.933 9.051 ( 6.346 7.292 0.000) 9.667 9.320 ( -2.521 -15.587 0.000) 15.790 9.509 ( 3.361 -0.117 0.000) 3.363 9.570 ( 2.115 -4.663 0.000) 5.120 9.911 ( -8.554 4.462 0.000) 9.648 9.980 ( -10.742 -2.469 0.000) 11.022 10.497 ( 9.706 3.796 0.000) 10.422 10.607 ( 5.424 -6.093 0.000) 8.158 11.192 ( 0.314 -1.575 0.000) 1.606 11.235 ( -2.831 -4.652 0.000) 5.446 11.803 ( 1.046 3.009 0.000) 3.186 11.888 ( 0.778 -4.972 0.000) 5.032 11.980 ( -3.656 1.457 0.000) 3.935 12.107 ( -5.903 -8.998 0.000) 10.762 13.000 ( 1.420 1.069 0.000) 1.778 13.011 ( 1.065 0.347 0.000) 1.121 13.219 ( 5.397 2.204 0.000) 5.829 13.326 ( 1.525 -7.973 0.000) 8.117 13.825 ( -5.263 6.284 0.000) 8.197 13.848 ( -5.341 4.229 0.000) 6.812 14.300 ( 0.506 2.461 0.000) 2.512 14.344 ( -1.078 -1.163 0.000) 1.586 14.910 ( 9.399 9.143 0.000) 13.113 15.098 ( 1.247 -9.298 0.000) 9.382 15.449 ( 0.455 0.414 0.000) 0.615 15.529 ( -0.006 -6.962 0.000) 6.962 16.055 ( -8.095 8.374 0.000) 11.647 16.184 ( -13.085 -4.780 0.000) 13.930 17.077 ( 4.585 7.656 0.000) 8.924 17.165 ( 0.840 -0.733 0.000) 1.115 17.997 ( 11.981 8.045 0.000) 14.431 18.148 ( 11.423 -7.290 0.000) 13.551 18.526 ( -12.191 7.501 0.000) 14.314 18.664 ( -11.777 -6.521 0.000) 13.462 19.102 ( 8.049 3.837 0.000) 8.917 19.201 ( 7.967 -5.482 0.000) 9.671 19.380 ( -1.448 3.740 0.000) 4.010 19.464 ( -0.336 -4.481 0.000) 4.494 19.778 ( -1.295 1.396 0.000) 1.904 19.823 ( -3.853 -3.141 0.000) 4.971 20.307 ( 9.827 5.591 0.000) 11.306 20.454 ( 5.943 -8.683 0.000) 10.522 21.101 ( -3.561 1.055 0.000) 3.714 21.209 ( -5.487 -9.429 0.000) 10.910 22.391 ( 1.276 1.614 0.000) 2.058 22.401 ( 1.024 0.743 0.000) 1.266 22.666 ( -0.335 0.394 0.000) 0.517 22.673 ( -0.744 -0.258 0.000) 0.787 25.347 ( -0.873 18.720 0.000) 18.741 25.491 ( -2.166 4.912 0.000) 5.368 25.593 ( -4.665 2.057 0.000) 5.098 25.689 ( -15.011 -7.247 0.000) 16.669 27.357 ( 17.927 12.249 0.000) 21.712 27.591 ( 16.918 -10.752 0.000) 20.045 27.979 ( -9.847 3.651 0.000) 10.501 28.094 ( -7.315 -7.085 0.000) 10.183 28.542 ( 0.883 2.195 0.000) 2.366 28.647 ( -3.226 -8.234 0.000) 8.844 29.105 ( 6.052 -1.701 0.000) 6.286 29.153 ( 4.253 -6.119 0.000) 7.452 31.003 ( 6.673 16.075 0.000) 17.405 31.242 ( 0.429 -5.655 0.000) 5.671 31.624 ( -5.779 9.421 0.000) 11.052 31.804 ( -7.807 -6.454 0.000) 10.130 32.373 ( -2.967 1.833 0.000) 3.488 32.433 ( -5.862 -4.036 0.000) 7.117 33.399 ( 7.950 0.914 0.000) 8.002 33.483 ( 3.924 -7.167 0.000) 8.171 37.540 ( 5.075 4.992 0.000) 7.119 37.629 ( 3.132 -3.541 0.000) 4.727 37.972 ( -3.019 1.050 0.000) 3.196 38.059 ( -4.615 -7.127 0.000) 8.491 39.983 ( 2.570 5.976 0.000) 6.505 40.096 ( -1.287 -4.397 0.000) 4.581 40.134 ( -0.179 0.056 0.000) 0.188 40.163 ( -0.730 -1.940 0.000) 2.072 41.068 ( 6.909 8.342 0.000) 10.832 41.202 ( 4.139 -5.109 0.000) 6.576 41.538 ( -6.177 2.311 0.000) 6.595 41.571 ( -4.903 -1.144 0.000) 5.035 42.993 ( -0.331 10.810 0.000) 10.815 43.194 ( -8.926 -9.593 0.000) 13.103 45.643 ( 1.085 8.116 0.000) 8.188 45.757 ( -4.144 -3.439 0.000) 5.385 ======================= Grid point 24 (16/96) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( -11.114 6.466 0.000) 12.858 2.884 ( 11.114 6.466 0.000) 12.858 3.012 ( -6.105 -4.859 0.000) 7.803 3.012 ( 6.105 -4.859 0.000) 7.803 4.120 ( -3.732 7.940 0.000) 8.773 4.120 ( 3.732 7.940 0.000) 8.773 4.521 ( -5.317 8.320 0.000) 9.874 4.521 ( 5.317 8.320 0.000) 9.874 4.937 ( -7.827 3.161 0.000) 8.441 4.937 ( 7.827 3.161 0.000) 8.441 5.323 ( -2.025 -10.110 0.000) 10.311 5.323 ( 2.025 -10.110 0.000) 10.311 6.169 ( -1.257 1.393 0.000) 1.876 6.169 ( 1.257 1.393 0.000) 1.876 6.245 ( -0.624 -1.339 0.000) 1.477 6.245 ( 0.624 -1.339 0.000) 1.477 6.810 ( -0.508 18.453 0.000) 18.460 6.810 ( 0.508 18.453 0.000) 18.460 7.197 ( -2.668 -7.872 0.000) 8.312 7.197 ( 2.668 -7.872 0.000) 8.312 7.917 ( -2.425 -2.802 0.000) 3.706 7.917 ( 2.425 -2.802 0.000) 3.706 8.817 ( -0.420 4.828 0.000) 4.846 8.817 ( 0.420 4.828 0.000) 4.846 9.205 ( -1.623 -9.395 0.000) 9.534 9.205 ( 1.623 -9.395 0.000) 9.534 9.575 ( -0.522 -1.628 0.000) 1.710 9.575 ( 0.522 -1.628 0.000) 1.710 9.827 ( -2.146 -0.079 0.000) 2.147 9.827 ( 2.146 -0.079 0.000) 2.147 10.644 ( -0.318 -0.682 0.000) 0.753 10.644 ( 0.318 -0.682 0.000) 0.753 11.196 ( -0.023 -2.372 0.000) 2.372 11.196 ( 0.023 -2.372 0.000) 2.372 11.838 ( -0.487 0.601 0.000) 0.774 11.838 ( 0.487 0.601 0.000) 0.774 12.008 ( -3.906 -6.939 0.000) 7.963 12.008 ( 3.906 -6.939 0.000) 7.963 13.016 ( -0.014 1.312 0.000) 1.312 13.016 ( 0.014 1.312 0.000) 1.312 13.315 ( -0.329 -3.117 0.000) 3.135 13.315 ( 0.329 -3.117 0.000) 3.135 13.778 ( -0.070 5.665 0.000) 5.665 13.778 ( 0.070 5.665 0.000) 5.665 14.317 ( -0.097 0.709 0.000) 0.716 14.317 ( 0.097 0.709 0.000) 0.716 15.063 ( -0.648 -0.871 0.000) 1.086 15.063 ( 0.648 -0.871 0.000) 1.086 15.501 ( -0.499 0.072 0.000) 0.504 15.501 ( 0.499 0.072 0.000) 0.504 15.996 ( -3.517 -1.308 0.000) 3.753 15.996 ( 3.517 -1.308 0.000) 3.753 17.148 ( -0.311 4.403 0.000) 4.414 17.148 ( 0.311 4.403 0.000) 4.414 18.260 ( -12.399 7.624 0.000) 14.555 18.260 ( 12.399 7.624 0.000) 14.555 18.405 ( -13.375 -7.015 0.000) 15.104 18.405 ( 13.375 -7.015 0.000) 15.104 19.246 ( -1.758 2.144 0.000) 2.773 19.246 ( 1.758 2.144 0.000) 2.773 19.406 ( -1.164 -4.612 0.000) 4.757 19.406 ( 1.164 -4.612 0.000) 4.757 19.772 ( -0.183 -1.113 0.000) 1.128 19.772 ( 0.183 -1.113 0.000) 1.128 20.472 ( -0.448 1.306 0.000) 1.381 20.472 ( 0.448 1.306 0.000) 1.381 21.099 ( -0.405 -5.486 0.000) 5.501 21.099 ( 0.405 -5.486 0.000) 5.501 22.408 ( -0.011 1.184 0.000) 1.184 22.408 ( 0.011 1.184 0.000) 1.184 22.664 ( -0.013 0.200 0.000) 0.201 22.664 ( 0.013 0.200 0.000) 0.201 25.396 ( -0.485 12.164 0.000) 12.174 25.396 ( 0.485 12.164 0.000) 12.174 25.546 ( -0.004 -3.249 0.000) 3.249 25.546 ( 0.004 -3.249 0.000) 3.249 27.675 ( -5.241 6.960 0.000) 8.713 27.675 ( 5.241 6.960 0.000) 8.713 27.931 ( -2.258 -8.048 0.000) 8.358 27.931 ( 2.258 -8.048 0.000) 8.358 28.581 ( -1.812 -2.127 0.000) 2.794 28.581 ( 1.812 -2.127 0.000) 2.794 29.182 ( -0.209 -4.655 0.000) 4.659 29.182 ( 0.209 -4.655 0.000) 4.659 31.162 ( -1.129 11.262 0.000) 11.318 31.162 ( 1.129 11.262 0.000) 11.318 31.632 ( -1.564 -5.129 0.000) 5.362 31.632 ( 1.564 -5.129 0.000) 5.362 32.367 ( -0.134 -0.867 0.000) 0.877 32.367 ( 0.134 -0.867 0.000) 0.877 33.501 ( -1.047 -3.098 0.000) 3.270 33.501 ( 1.047 -3.098 0.000) 3.270 37.631 ( -2.391 2.828 0.000) 3.703 37.631 ( 2.391 2.828 0.000) 3.703 37.972 ( -0.224 -5.310 0.000) 5.315 37.972 ( 0.224 -5.310 0.000) 5.315 40.041 ( -1.097 2.625 0.000) 2.845 40.041 ( 1.097 2.625 0.000) 2.845 40.149 ( -0.297 -2.866 0.000) 2.882 40.149 ( 0.297 -2.866 0.000) 2.882 41.209 ( -1.539 3.956 0.000) 4.245 41.209 ( 1.539 3.956 0.000) 4.245 41.479 ( -0.382 -0.638 0.000) 0.743 41.479 ( 0.382 -0.638 0.000) 0.743 43.045 ( -0.644 0.179 0.000) 0.668 43.045 ( 0.644 0.179 0.000) 0.668 45.684 ( -2.960 2.364 0.000) 3.788 45.684 ( 2.960 2.364 0.000) 3.788 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.000 0.000 53.192) 53.192 1.062 ( 0.000 0.000 50.932) 50.932 1.328 ( 0.000 0.000 68.484) 68.484 3.389 ( 0.000 0.000 3.956) 3.956 3.425 ( 0.000 0.000 16.026) 16.026 4.114 ( 0.000 0.000 0.254) 0.254 4.322 ( 0.000 0.000 -10.521) 10.521 4.892 ( 0.000 0.000 3.516) 3.516 5.107 ( 0.000 0.000 -1.066) 1.066 5.133 ( 0.000 0.000 -19.200) 19.200 5.275 ( 0.000 0.000 6.424) 6.424 5.474 ( 0.000 0.000 3.712) 3.712 5.597 ( 0.000 0.000 -6.315) 6.315 5.752 ( 0.000 0.000 -6.518) 6.518 6.498 ( 0.000 0.000 -2.976) 2.976 6.777 ( 0.000 0.000 18.483) 18.483 6.918 ( 0.000 0.000 5.619) 5.619 7.110 ( 0.000 0.000 -2.039) 2.039 7.161 ( 0.000 0.000 2.016) 2.016 7.443 ( 0.000 0.000 -12.140) 12.140 7.450 ( 0.000 0.000 2.199) 2.199 8.042 ( 0.000 0.000 -2.627) 2.627 8.238 ( 0.000 0.000 -1.313) 1.313 8.912 ( 0.000 0.000 -1.115) 1.115 9.398 ( 0.000 0.000 -19.427) 19.427 9.490 ( 0.000 0.000 1.693) 1.693 9.689 ( 0.000 0.000 3.554) 3.554 9.701 ( 0.000 0.000 -4.816) 4.816 9.960 ( 0.000 0.000 5.413) 5.413 10.261 ( 0.000 0.000 -5.170) 5.170 10.349 ( 0.000 0.000 -0.004) 0.004 10.709 ( 0.000 0.000 -0.895) 0.895 11.566 ( 0.000 0.000 0.028) 0.028 11.688 ( 0.000 0.000 5.935) 5.935 11.764 ( 0.000 0.000 1.180) 1.180 11.839 ( 0.000 0.000 -3.201) 3.201 12.657 ( 0.000 0.000 3.637) 3.637 12.727 ( 0.000 0.000 -2.110) 2.110 13.061 ( 0.000 0.000 -2.743) 2.743 13.061 ( 0.000 0.000 6.575) 6.575 13.088 ( 0.000 0.000 1.934) 1.934 13.193 ( 0.000 0.000 -0.265) 0.265 13.538 ( 0.000 0.000 -0.125) 0.125 13.545 ( 0.000 0.000 -4.004) 4.004 13.815 ( 0.000 0.000 2.904) 2.904 14.306 ( 0.000 0.000 6.229) 6.229 14.657 ( 0.000 0.000 -14.287) 14.287 14.800 ( 0.000 0.000 13.636) 13.636 15.606 ( 0.000 0.000 -24.399) 24.399 15.674 ( 0.000 0.000 2.750) 2.750 15.875 ( 0.000 0.000 -16.666) 16.666 16.102 ( 0.000 0.000 -9.085) 9.085 17.165 ( 0.000 0.000 -11.830) 11.830 17.167 ( 0.000 0.000 36.277) 36.277 17.800 ( 0.000 0.000 13.560) 13.560 17.968 ( 0.000 0.000 16.310) 16.310 18.583 ( 0.000 0.000 -12.584) 12.584 18.688 ( 0.000 0.000 5.950) 5.950 19.084 ( 0.000 0.000 -3.916) 3.916 19.229 ( 0.000 0.000 6.128) 6.128 19.250 ( 0.000 0.000 -1.973) 1.973 19.386 ( 0.000 0.000 -1.757) 1.757 19.465 ( 0.000 0.000 0.057) 0.057 20.176 ( 0.000 0.000 -0.601) 0.601 20.212 ( 0.000 0.000 4.915) 4.915 21.181 ( 0.000 0.000 -7.774) 7.774 21.352 ( 0.000 0.000 -7.904) 7.904 22.075 ( 0.000 0.000 -28.772) 28.772 22.193 ( 0.000 0.000 6.745) 6.745 22.252 ( 0.000 0.000 2.548) 2.548 22.624 ( 0.000 0.000 -2.121) 2.121 22.685 ( 0.000 0.000 0.089) 0.089 23.998 ( 0.000 0.000 17.055) 17.055 25.058 ( 0.000 0.000 -2.401) 2.401 25.223 ( 0.000 0.000 3.711) 3.711 26.464 ( 0.000 0.000 -6.787) 6.787 26.536 ( 0.000 0.000 22.238) 22.238 27.690 ( 0.000 0.000 -0.564) 0.564 28.440 ( 0.000 0.000 -9.594) 9.594 28.585 ( 0.000 0.000 1.872) 1.872 28.891 ( 0.000 0.000 -1.298) 1.298 28.909 ( 0.000 0.000 -0.043) 0.043 28.926 ( 0.000 0.000 -0.972) 0.972 29.364 ( 0.000 0.000 1.261) 1.261 30.504 ( 0.000 0.000 -13.552) 13.552 30.718 ( 0.000 0.000 6.379) 6.379 31.647 ( 0.000 0.000 0.282) 0.282 31.685 ( 0.000 0.000 -11.857) 11.857 32.407 ( 0.000 0.000 3.021) 3.021 32.660 ( 0.000 0.000 -2.621) 2.621 33.059 ( 0.000 0.000 -3.157) 3.157 33.749 ( 0.000 0.000 -6.492) 6.492 37.814 ( 0.000 0.000 3.688) 3.688 37.855 ( 0.000 0.000 7.170) 7.170 38.062 ( 0.000 0.000 -2.923) 2.923 39.542 ( 0.000 0.000 -4.783) 4.783 39.640 ( 0.000 0.000 4.546) 4.546 40.033 ( 0.000 0.000 -0.291) 0.291 40.093 ( 0.000 0.000 0.188) 0.188 40.355 ( 0.000 0.000 1.359) 1.359 41.086 ( 0.000 0.000 2.358) 2.358 41.382 ( 0.000 0.000 1.539) 1.539 41.730 ( 0.000 0.000 3.999) 3.999 41.915 ( 0.000 0.000 -3.892) 3.892 42.725 ( 0.000 0.000 4.715) 4.715 44.184 ( 0.000 0.000 -1.946) 1.946 44.454 ( 0.000 0.000 -4.878) 4.878 44.619 ( 0.000 0.000 -6.463) 6.463 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 17.269 0.000 30.227) 34.812 1.328 ( 24.556 0.000 40.934) 47.734 2.099 ( 46.285 0.000 45.018) 64.568 3.321 ( -9.573 0.000 15.105) 17.883 3.389 ( -0.641 0.000 3.311) 3.373 3.992 ( -9.513 0.000 4.445) 10.500 4.099 ( -20.492 0.000 -15.527) 25.710 4.920 ( 3.639 0.000 1.222) 3.839 4.971 ( -13.365 0.000 2.001) 13.514 5.195 ( 4.023 0.000 -12.217) 12.862 5.320 ( 3.253 0.000 4.358) 5.438 5.419 ( -1.337 0.000 -1.624) 2.104 5.708 ( 9.614 0.000 -7.535) 12.215 5.887 ( 9.044 0.000 -3.527) 9.707 6.434 ( -5.974 0.000 -5.831) 8.348 6.653 ( -8.806 0.000 15.735) 18.032 6.974 ( -10.759 0.000 15.244) 18.659 6.987 ( -12.383 0.000 -1.963) 12.537 7.079 ( 6.218 0.000 15.825) 17.003 7.188 ( 6.288 0.000 -1.892) 6.566 7.499 ( 2.164 0.000 -3.598) 4.199 8.106 ( 5.448 0.000 -1.873) 5.761 8.653 ( 11.555 0.000 -20.481) 23.516 8.793 ( -10.462 0.000 -0.094) 10.462 9.400 ( 1.680 0.000 -13.619) 13.722 9.582 ( 4.878 0.000 -2.971) 5.712 9.643 ( -0.917 0.000 4.500) 4.592 9.733 ( 0.234 0.000 -4.260) 4.266 9.893 ( -3.927 0.000 3.772) 5.445 10.082 ( -10.663 0.000 1.010) 10.711 10.431 ( 7.370 0.000 3.417) 8.123 10.826 ( 5.546 0.000 -4.590) 7.199 11.533 ( -8.656 0.000 4.514) 9.762 11.576 ( -4.521 0.000 -5.015) 6.752 11.894 ( 6.050 0.000 -5.206) 7.982 11.925 ( 8.836 0.000 0.189) 8.838 12.661 ( 0.507 0.000 2.894) 2.938 12.726 ( -0.202 0.000 -2.141) 2.150 13.023 ( -2.139 0.000 0.549) 2.208 13.036 ( -3.378 0.000 3.875) 5.141 13.110 ( 3.561 0.000 0.953) 3.686 13.226 ( 2.807 0.000 -0.905) 2.949 13.536 ( -0.233 0.000 0.646) 0.687 13.598 ( 1.810 0.000 -7.656) 7.867 13.790 ( -1.854 0.000 3.403) 3.876 14.128 ( -10.446 0.000 3.272) 10.946 14.833 ( 10.408 0.000 -13.835) 17.313 14.930 ( 12.140 0.000 12.908) 17.719 15.491 ( -9.154 0.000 -21.503) 23.371 15.701 ( 0.476 0.000 -0.261) 0.543 15.922 ( 3.384 0.000 -11.995) 12.463 16.177 ( 4.513 0.000 -9.931) 10.908 16.903 ( -11.797 0.000 15.991) 19.872 17.402 ( 10.996 0.000 5.475) 12.284 17.431 ( -21.207 0.000 15.405) 26.212 18.254 ( 12.114 0.000 9.685) 15.510 18.425 ( -7.893 0.000 -5.124) 9.411 18.810 ( 8.234 0.000 3.675) 9.017 19.091 ( 1.061 0.000 -2.344) 2.573 19.221 ( 0.534 0.000 0.443) 0.693 19.388 ( 9.938 0.000 2.814) 10.329 19.401 ( 0.589 0.000 -4.160) 4.201 19.564 ( 6.746 0.000 -7.706) 10.242 20.077 ( -5.730 0.000 0.280) 5.737 20.268 ( 1.501 0.000 3.593) 3.894 21.005 ( -12.792 0.000 -2.376) 13.011 21.364 ( 1.718 0.000 -5.139) 5.419 22.002 ( -7.226 0.000 -22.771) 23.890 22.215 ( 1.855 0.000 5.590) 5.889 22.250 ( 0.031 0.000 2.770) 2.770 22.620 ( -0.330 0.000 -1.902) 1.931 22.692 ( -0.752 0.000 0.446) 0.875 24.106 ( 10.379 0.000 15.573) 18.714 25.026 ( -3.651 0.000 -3.191) 4.849 25.252 ( 3.039 0.000 4.752) 5.640 26.368 ( -14.370 0.000 14.979) 20.757 26.564 ( 7.928 0.000 -5.495) 9.646 27.724 ( 8.446 0.000 12.493) 15.080 28.226 ( -17.426 0.000 -11.456) 20.854 28.579 ( -7.139 0.000 6.631) 9.743 28.752 ( 2.618 0.000 -1.683) 3.112 28.810 ( -0.898 0.000 -1.324) 1.599 29.203 ( 13.596 0.000 -4.505) 14.323 29.533 ( 5.324 0.000 -2.664) 5.953 30.450 ( -4.696 0.000 -12.589) 13.436 30.626 ( -6.454 0.000 5.203) 8.290 31.671 ( 2.306 0.000 1.921) 3.001 31.734 ( 4.212 0.000 -9.634) 10.515 32.390 ( -1.432 0.000 3.070) 3.388 32.629 ( -3.293 0.000 2.235) 3.980 33.294 ( 14.191 0.000 -27.714) 31.137 33.735 ( -1.391 0.000 -8.300) 8.416 37.695 ( -10.516 0.000 17.017) 20.004 37.749 ( -4.863 0.000 3.746) 6.139 38.166 ( 8.707 0.000 -1.766) 8.884 39.236 ( -21.416 0.000 13.340) 25.231 39.681 ( 4.059 0.000 4.332) 5.937 40.036 ( 0.116 0.000 -0.676) 0.686 40.088 ( -0.446 0.000 0.373) 0.581 40.306 ( -4.798 0.000 2.380) 5.356 41.048 ( -21.626 0.000 22.983) 31.558 41.063 ( -2.313 0.000 2.362) 3.306 41.614 ( -12.657 0.000 10.103) 16.195 41.704 ( -2.567 0.000 4.201) 4.923 42.324 ( 9.606 0.000 15.244) 18.018 43.905 ( -19.300 0.000 -0.832) 19.318 44.701 ( 16.019 0.000 -5.714) 17.008 45.353 ( 20.523 0.000 -31.863) 37.900 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 43.418 0.000 -11.261) 44.854 1.893 ( 29.602 0.000 27.183) 40.190 2.848 ( 10.935 0.000 17.821) 20.909 3.169 ( 10.196 0.000 21.072) 23.410 3.262 ( -18.992 0.000 -11.923) 22.424 3.658 ( -15.604 0.000 -7.880) 17.481 3.827 ( -4.297 0.000 12.357) 13.083 4.581 ( -25.034 0.000 11.458) 27.531 5.030 ( 6.681 0.000 -1.704) 6.895 5.224 ( -1.344 0.000 -3.765) 3.997 5.424 ( 7.117 0.000 -1.169) 7.213 5.483 ( 6.322 0.000 -7.711) 9.971 5.850 ( 2.990 0.000 -13.800) 14.120 5.978 ( -2.622 0.000 -8.770) 9.154 6.316 ( -2.841 0.000 -3.153) 4.244 6.471 ( -8.478 0.000 12.448) 15.060 6.798 ( -5.124 0.000 0.197) 5.128 6.821 ( -3.906 0.000 7.536) 8.489 7.291 ( 7.503 0.000 2.811) 8.013 7.436 ( 21.271 0.000 20.652) 29.647 7.492 ( -2.519 0.000 3.048) 3.954 8.187 ( -1.159 0.000 5.137) 5.266 8.554 ( -10.255 0.000 -0.956) 10.299 8.675 ( -5.377 0.000 -11.798) 12.965 9.473 ( 5.065 0.000 -9.239) 10.536 9.619 ( 0.961 0.000 -1.737) 1.985 9.635 ( -1.475 0.000 2.008) 2.491 9.731 ( 0.606 0.000 -4.059) 4.104 9.853 ( -1.398 0.000 2.489) 2.854 9.888 ( -8.708 0.000 -0.381) 8.717 10.634 ( 12.535 0.000 1.593) 12.636 10.909 ( 2.662 0.000 -3.427) 4.339 11.374 ( -7.021 0.000 3.884) 8.023 11.411 ( -9.841 0.000 -1.063) 9.898 12.013 ( 4.971 0.000 -4.863) 6.954 12.059 ( 3.985 0.000 -2.046) 4.480 12.678 ( 1.031 0.000 1.005) 1.440 12.717 ( -0.733 0.000 -1.797) 1.940 12.978 ( -2.207 0.000 2.321) 3.203 12.979 ( -1.991 0.000 -1.064) 2.257 13.212 ( 6.327 0.000 -2.576) 6.831 13.289 ( 3.067 0.000 -3.390) 4.571 13.526 ( -0.771 0.000 2.081) 2.219 13.587 ( -2.458 0.000 -4.515) 5.141 13.771 ( 0.448 0.000 3.773) 3.800 13.944 ( -8.049 0.000 3.296) 8.698 15.010 ( 7.172 0.000 -17.183) 18.619 15.205 ( 8.059 0.000 -1.729) 8.242 15.344 ( 1.466 0.000 -5.809) 5.991 15.741 ( 4.159 0.000 5.579) 6.959 15.911 ( -5.222 0.000 -3.800) 6.458 16.162 ( -7.223 0.000 -2.493) 7.641 16.779 ( 0.309 0.000 9.925) 9.930 17.069 ( -14.106 0.000 11.084) 17.940 17.627 ( 12.014 0.000 -0.225) 12.016 18.152 ( -12.533 0.000 -5.964) 13.880 18.534 ( 9.039 0.000 5.220) 10.438 18.829 ( -5.368 0.000 0.332) 5.378 19.148 ( 4.496 0.000 -1.487) 4.735 19.315 ( 0.509 0.000 3.423) 3.460 19.472 ( 11.412 0.000 -9.835) 15.065 19.588 ( 9.410 0.000 2.201) 9.664 19.674 ( 4.971 0.000 -7.363) 8.884 19.969 ( -5.362 0.000 -0.052) 5.362 20.272 ( 0.661 0.000 3.778) 3.836 20.722 ( -15.827 0.000 -3.877) 16.295 21.441 ( 6.086 0.000 -1.015) 6.170 21.813 ( -10.854 0.000 -10.073) 14.808 22.250 ( 1.320 0.000 3.741) 3.967 22.255 ( 0.457 0.000 2.408) 2.451 22.616 ( 0.064 0.000 -1.195) 1.196 22.659 ( -1.935 0.000 1.055) 2.204 24.380 ( 15.955 0.000 10.770) 19.249 24.909 ( -8.165 0.000 -2.093) 8.429 25.354 ( 7.610 0.000 8.366) 11.309 25.961 ( -21.944 0.000 17.177) 27.867 26.881 ( 20.931 0.000 -9.949) 23.175 27.813 ( -22.940 0.000 -12.038) 25.907 27.965 ( 13.127 0.000 9.943) 16.468 28.406 ( -9.168 0.000 6.837) 11.437 28.848 ( 4.782 0.000 -2.433) 5.365 28.860 ( 3.881 0.000 -7.058) 8.055 29.418 ( 7.460 0.000 -5.502) 9.269 29.551 ( -1.665 0.000 0.900) 1.893 30.365 ( -2.449 0.000 -9.248) 9.567 30.495 ( -6.560 0.000 -0.553) 6.584 31.736 ( 4.015 0.000 4.207) 5.815 31.813 ( 2.546 0.000 -3.448) 4.286 32.372 ( 0.443 0.000 1.969) 2.018 32.537 ( -5.603 0.000 1.611) 5.830 33.504 ( 7.505 0.000 -27.684) 28.683 33.693 ( -2.828 0.000 -13.232) 13.531 37.569 ( -2.077 0.000 14.787) 14.932 37.654 ( -4.408 0.000 5.655) 7.169 38.371 ( 11.442 0.000 0.159) 11.443 38.882 ( -14.653 0.000 9.910) 17.690 39.798 ( 7.418 0.000 3.688) 8.284 40.037 ( -0.162 0.000 -0.514) 0.539 40.076 ( -0.679 0.000 0.892) 1.121 40.170 ( -8.217 0.000 3.657) 8.994 40.865 ( -0.609 0.000 11.813) 11.829 40.998 ( -4.012 0.000 2.814) 4.900 41.517 ( -0.285 0.000 5.177) 5.185 41.635 ( -4.074 0.000 4.593) 6.140 42.647 ( 19.628 0.000 7.555) 21.031 43.495 ( -21.357 0.000 1.525) 21.411 45.014 ( 14.975 0.000 -7.512) 16.753 45.459 ( -4.329 0.000 -16.848) 17.395 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.351 ( -0.270 0.000 12.222) 12.225 2.351 ( 0.270 0.000 12.222) 12.225 2.695 ( -5.711 0.000 -20.767) 21.538 2.695 ( 5.711 0.000 -20.767) 21.538 3.518 ( -2.273 0.000 7.437) 7.776 3.518 ( 2.273 0.000 7.437) 7.776 4.030 ( -19.453 0.000 21.601) 29.069 4.030 ( 19.453 0.000 21.601) 29.069 5.156 ( -5.024 0.000 -1.953) 5.390 5.156 ( 5.024 0.000 -1.953) 5.390 5.552 ( -1.648 0.000 -7.450) 7.630 5.552 ( 1.648 0.000 -7.450) 7.630 5.870 ( -0.278 0.000 -14.221) 14.224 5.870 ( 0.278 0.000 -14.221) 14.224 6.344 ( -4.117 0.000 5.582) 6.936 6.344 ( 4.117 0.000 5.582) 6.936 6.771 ( -0.875 0.000 3.927) 4.023 6.771 ( 0.875 0.000 3.927) 4.023 7.414 ( -2.065 0.000 3.928) 4.437 7.414 ( 2.065 0.000 3.928) 4.437 7.908 ( -14.564 0.000 19.693) 24.494 7.908 ( 14.564 0.000 19.693) 24.494 8.541 ( -1.973 0.000 -7.569) 7.822 8.541 ( 1.973 0.000 -7.569) 7.822 9.569 ( -3.997 0.000 -4.226) 5.817 9.569 ( 3.997 0.000 -4.226) 5.817 9.695 ( -5.482 0.000 -4.058) 6.821 9.695 ( 5.482 0.000 -4.058) 6.821 9.810 ( -1.220 0.000 2.845) 3.096 9.810 ( 1.220 0.000 2.845) 3.096 10.870 ( -7.726 0.000 -3.492) 8.479 10.870 ( 7.726 0.000 -3.492) 8.479 11.287 ( -0.002 0.000 3.454) 3.454 11.287 ( 0.002 0.000 3.454) 3.454 12.081 ( -1.080 0.000 -3.153) 3.333 12.081 ( 1.080 0.000 -3.153) 3.333 12.699 ( -0.068 0.000 -0.912) 0.914 12.699 ( 0.068 0.000 -0.912) 0.914 12.956 ( -0.002 0.000 0.129) 0.130 12.956 ( 0.002 0.000 0.129) 0.130 13.313 ( -0.179 0.000 -6.351) 6.353 13.313 ( 0.179 0.000 -6.351) 6.353 13.529 ( -0.146 0.000 1.352) 1.359 13.529 ( 0.146 0.000 1.352) 1.359 13.818 ( -1.447 0.000 4.066) 4.316 13.818 ( 1.447 0.000 4.066) 4.316 15.133 ( -2.037 0.000 -19.355) 19.462 15.133 ( 2.037 0.000 -19.355) 19.462 15.630 ( -10.383 0.000 9.548) 14.106 15.630 ( 10.383 0.000 9.548) 14.106 15.956 ( -9.685 0.000 3.062) 10.157 15.956 ( 9.685 0.000 3.062) 10.157 16.865 ( -6.962 0.000 6.191) 9.317 16.865 ( 6.962 0.000 6.191) 9.317 17.885 ( -12.778 0.000 -4.242) 13.464 17.885 ( 12.778 0.000 -4.242) 13.464 18.693 ( -7.137 0.000 1.446) 7.282 18.693 ( 7.137 0.000 1.446) 7.282 19.249 ( -4.387 0.000 -0.341) 4.400 19.249 ( 4.387 0.000 -0.341) 4.400 19.654 ( -0.864 0.000 -8.656) 8.699 19.654 ( 0.864 0.000 -8.656) 8.699 19.832 ( -8.885 0.000 0.945) 8.935 19.832 ( 8.885 0.000 0.945) 8.935 20.405 ( -8.759 0.000 -0.110) 8.760 20.405 ( 8.759 0.000 -0.110) 8.760 21.601 ( -7.772 0.000 -1.634) 7.942 21.601 ( 7.772 0.000 -1.634) 7.942 22.262 ( -0.000 0.000 2.592) 2.592 22.262 ( 0.000 0.000 2.592) 2.592 22.627 ( -1.117 0.000 -0.026) 1.117 22.627 ( 1.117 0.000 -0.026) 1.117 24.690 ( -7.804 0.000 3.135) 8.410 24.690 ( 7.804 0.000 3.135) 8.410 25.579 ( -10.215 0.000 14.308) 17.580 25.579 ( 10.215 0.000 14.308) 17.580 27.339 ( -24.018 0.000 -11.746) 26.736 27.339 ( 24.018 0.000 -11.746) 26.736 28.207 ( -9.752 0.000 7.439) 12.265 28.207 ( 9.752 0.000 7.439) 12.265 28.905 ( -0.008 0.000 -5.967) 5.967 28.905 ( 0.008 0.000 -5.967) 5.967 29.508 ( -0.797 0.000 -2.214) 2.353 29.508 ( 0.797 0.000 -2.214) 2.353 30.382 ( -0.912 0.000 -4.933) 5.017 30.382 ( 0.912 0.000 -4.933) 5.017 31.810 ( -2.189 0.000 2.970) 3.689 31.810 ( 2.189 0.000 2.970) 3.689 32.426 ( -3.582 0.000 0.430) 3.608 32.426 ( 3.582 0.000 0.430) 3.608 33.621 ( -4.353 0.000 -20.220) 20.683 33.621 ( 4.353 0.000 -20.220) 20.683 37.581 ( -2.044 0.000 9.275) 9.498 37.581 ( 2.044 0.000 9.275) 9.498 38.613 ( -6.134 0.000 3.730) 7.179 38.613 ( 6.134 0.000 3.730) 7.179 39.964 ( -7.917 0.000 1.915) 8.145 39.964 ( 7.917 0.000 1.915) 8.145 40.067 ( -0.009 0.000 2.257) 2.257 40.067 ( 0.009 0.000 2.257) 2.257 40.913 ( -1.861 0.000 5.094) 5.423 40.913 ( 1.861 0.000 5.094) 5.423 41.555 ( -2.281 0.000 4.772) 5.289 41.555 ( 2.281 0.000 4.772) 5.289 43.064 ( -19.153 0.000 4.281) 19.625 43.064 ( 19.153 0.000 4.281) 19.625 45.285 ( -11.711 0.000 -10.409) 15.668 45.285 ( 11.711 0.000 -10.409) 15.668 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.150 ( 0.000 32.384 26.368) 41.762 1.311 ( 0.000 22.824 41.593) 47.444 2.251 ( 0.000 58.015 45.736) 73.876 3.356 ( 0.000 -2.455 6.713) 7.148 3.452 ( 0.000 1.619 12.440) 12.545 3.846 ( 0.000 -16.110 -0.008) 16.110 4.487 ( 0.000 0.031 -10.656) 10.656 4.834 ( 0.000 4.400 6.079) 7.504 4.914 ( 0.000 -14.856 -6.427) 16.187 5.206 ( 0.000 6.300 -5.626) 8.446 5.412 ( 0.000 6.448 -1.516) 6.624 5.578 ( 0.000 2.606 0.524) 2.658 5.598 ( 0.000 9.208 -0.736) 9.237 5.765 ( 0.000 1.585 -8.175) 8.327 6.387 ( 0.000 -9.211 -4.099) 10.082 6.610 ( 0.000 -13.099 21.599) 25.261 6.822 ( 0.000 -8.113 3.722) 8.926 6.956 ( 0.000 -11.252 11.728) 16.253 7.204 ( 0.000 7.618 -5.384) 9.328 7.479 ( 0.000 13.120 4.301) 13.807 7.595 ( 0.000 11.393 -7.599) 13.695 8.136 ( 0.000 5.593 -2.371) 6.075 8.181 ( 0.000 -5.520 -7.172) 9.050 8.843 ( 0.000 -6.461 -3.030) 7.136 9.331 ( 0.000 -4.972 -16.548) 17.279 9.373 ( 0.000 -8.936 7.024) 11.366 9.710 ( 0.000 5.337 1.671) 5.592 9.735 ( 0.000 0.339 -2.955) 2.975 9.919 ( 0.000 -6.462 8.869) 10.973 10.230 ( 0.000 2.059 1.276) 2.422 10.305 ( 0.000 -3.975 0.641) 4.026 10.697 ( 0.000 -1.685 -1.285) 2.119 11.489 ( 0.000 -8.002 -0.374) 8.011 11.690 ( 0.000 -2.033 -2.886) 3.530 11.717 ( 0.000 -2.724 1.856) 3.296 11.898 ( 0.000 6.859 3.751) 7.818 12.329 ( 0.000 -22.307 3.577) 22.592 12.554 ( 0.000 -12.562 -1.204) 12.620 12.987 ( 0.000 -2.370 2.663) 3.564 13.021 ( 0.000 -3.078 4.561) 5.502 13.229 ( 0.000 3.490 -2.154) 4.102 13.342 ( 0.000 10.454 2.392) 10.724 13.663 ( 0.000 8.539 -6.301) 10.612 13.805 ( 0.000 15.374 -3.730) 15.820 14.036 ( 0.000 8.649 -10.195) 13.370 14.351 ( 0.000 -14.100 3.647) 14.564 14.395 ( 0.000 7.603 2.299) 7.943 15.149 ( 0.000 18.263 -7.474) 19.733 15.497 ( 0.000 -8.738 -19.028) 20.938 15.595 ( 0.000 -6.463 5.229) 8.314 16.032 ( 0.000 13.070 -23.976) 27.307 16.080 ( 0.000 -2.285 -7.572) 7.909 17.126 ( 0.000 -3.149 -8.051) 8.645 17.293 ( 0.000 6.267 30.830) 31.460 17.773 ( 0.000 -0.774 13.438) 13.460 18.030 ( 0.000 5.338 15.479) 16.374 18.563 ( 0.000 -0.347 -8.062) 8.070 18.625 ( 0.000 -4.586 0.910) 4.676 19.134 ( 0.000 3.064 -1.744) 3.526 19.152 ( 0.000 -3.719 4.966) 6.204 19.284 ( 0.000 1.293 1.496) 1.977 19.396 ( 0.000 2.237 -2.827) 3.604 19.484 ( 0.000 1.260 0.758) 1.470 20.150 ( 0.000 -2.892 -1.454) 3.237 20.193 ( 0.000 -1.955 5.441) 5.781 20.875 ( 0.000 -18.103 -3.708) 18.479 21.394 ( 0.000 -1.197 -3.134) 3.354 21.830 ( 0.000 -18.846 -13.007) 22.899 22.258 ( 0.000 3.124 -0.555) 3.173 22.276 ( 0.000 2.554 2.272) 3.419 22.679 ( 0.000 -0.379 0.585) 0.697 22.699 ( 0.000 2.807 -5.989) 6.614 24.237 ( 0.000 22.392 5.428) 23.040 25.196 ( 0.000 12.501 -1.093) 12.549 25.415 ( 0.000 11.549 -6.408) 13.208 26.418 ( 0.000 -3.041 -8.807) 9.317 26.587 ( 0.000 5.523 22.570) 23.236 27.471 ( 0.000 -11.548 16.513) 20.150 28.428 ( 0.000 -1.275 -9.985) 10.066 28.449 ( 0.000 -14.003 -3.118) 14.346 28.796 ( 0.000 -7.230 -1.967) 7.493 28.933 ( 0.000 0.354 2.186) 2.214 28.944 ( 0.000 -0.174 -1.622) 1.631 29.378 ( 0.000 -2.665 -2.113) 3.401 30.252 ( 0.000 -3.947 5.741) 6.967 31.015 ( 0.000 18.273 -5.810) 19.175 31.555 ( 0.000 -6.589 -4.737) 8.116 31.750 ( 0.000 3.559 -7.541) 8.338 32.550 ( 0.000 8.585 -3.806) 9.391 32.659 ( 0.000 -0.018 -2.701) 2.701 33.015 ( 0.000 -3.395 -1.709) 3.801 33.677 ( 0.000 -7.266 -6.015) 9.433 37.653 ( 0.000 -11.370 15.415) 19.155 37.792 ( 0.000 -5.451 5.589) 7.807 38.076 ( 0.000 0.904 -0.408) 0.992 38.780 ( 0.000 -32.951 26.963) 42.576 39.686 ( 0.000 4.474 4.083) 6.057 40.048 ( 0.000 1.547 -0.438) 1.608 40.195 ( 0.000 0.666 -6.332) 6.367 40.352 ( 0.000 0.269 1.840) 1.859 40.836 ( 0.000 -7.220 13.503) 15.313 41.344 ( 0.000 -3.820 1.300) 4.035 41.729 ( 0.000 -0.163 4.124) 4.128 41.822 ( 0.000 -6.437 -1.349) 6.577 42.521 ( 0.000 7.157 12.125) 14.079 44.149 ( 0.000 -18.695 -4.111) 19.141 44.922 ( 0.000 18.286 -7.214) 19.658 45.380 ( 0.000 41.825 -49.036) 64.450 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 16.591 28.405 12.510) 35.194 1.718 ( 23.746 25.658 25.348) 43.183 2.534 ( 26.983 39.167 38.800) 61.381 3.309 ( -5.558 -0.618 9.422) 10.956 3.435 ( -0.501 4.226 10.228) 11.078 3.764 ( -7.271 -11.149 2.212) 13.493 4.291 ( -17.752 4.561 -14.694) 23.491 4.801 ( -2.470 -3.074 5.597) 6.847 5.025 ( 5.057 -7.957 1.882) 9.614 5.122 ( -3.765 3.851 -7.907) 9.567 5.341 ( -3.322 1.037 -1.028) 3.629 5.509 ( -3.615 7.897 0.743) 8.717 5.731 ( 9.824 2.920 -8.831) 13.528 5.910 ( 9.211 2.643 -2.941) 10.023 6.376 ( -1.592 -5.726 -5.353) 7.998 6.539 ( -5.759 -7.955 13.740) 16.889 6.802 ( -3.955 -9.783 7.074) 12.704 6.891 ( -3.104 -5.433 10.842) 12.518 7.173 ( 0.683 0.202 -1.760) 1.899 7.315 ( -8.070 15.138 1.200) 17.196 7.708 ( 3.739 13.986 0.110) 14.478 8.154 ( 6.324 3.642 -5.198) 8.960 8.412 ( 7.688 -13.363 -9.321) 18.016 8.800 ( -3.781 -2.903 -0.103) 4.769 9.291 ( 0.351 -9.511 -9.126) 13.186 9.465 ( 4.587 -6.408 -3.179) 8.498 9.714 ( -0.040 1.184 0.816) 1.438 9.739 ( -0.489 3.166 -3.241) 4.557 9.880 ( -1.779 -3.077 7.027) 7.875 10.124 ( -6.704 3.122 -0.469) 7.410 10.417 ( 7.508 -1.497 4.748) 9.008 10.768 ( 5.466 -4.476 -1.850) 7.303 11.430 ( -6.535 -6.575 -0.168) 9.272 11.544 ( -6.980 -4.056 1.262) 8.171 11.846 ( 6.180 -3.638 -3.152) 7.834 11.964 ( 5.387 3.259 1.193) 6.408 12.347 ( 1.719 -21.387 2.315) 21.580 12.566 ( 0.815 -12.850 -0.444) 12.884 12.957 ( -1.846 -2.117 0.976) 2.974 13.035 ( -0.492 -2.813 1.361) 3.164 13.219 ( 0.174 3.659 1.072) 3.817 13.361 ( 1.180 7.803 0.129) 7.893 13.604 ( -3.953 10.326 -2.336) 11.301 13.813 ( -0.024 14.682 -3.749) 15.153 13.961 ( -5.769 5.871 -2.668) 8.653 14.164 ( -8.038 4.448 0.485) 9.199 14.604 ( 11.940 -7.002 2.149) 14.007 15.206 ( 4.435 10.555 -7.510) 13.692 15.433 ( -4.224 -3.356 -15.392) 16.310 15.668 ( 3.133 -4.681 3.478) 6.620 15.910 ( -3.352 1.888 -12.521) 13.098 16.231 ( 6.153 5.157 -11.947) 14.394 16.960 ( -11.399 2.586 9.415) 15.009 17.328 ( -2.460 -2.395 15.770) 16.139 17.563 ( -7.534 8.005 8.161) 13.691 18.248 ( 12.074 -0.598 11.216) 16.490 18.416 ( -8.557 0.323 -6.531) 10.769 18.775 ( 9.304 -2.718 1.627) 9.828 19.121 ( -1.371 2.162 -0.275) 2.575 19.178 ( 1.573 -3.691 -0.272) 4.021 19.340 ( 3.574 -2.587 0.310) 4.423 19.461 ( 6.224 3.266 -2.473) 7.451 19.552 ( 6.409 0.299 -2.008) 6.723 20.053 ( -5.625 -2.742 0.359) 6.268 20.241 ( 0.965 -2.654 2.284) 3.632 20.825 ( -4.984 -12.958 -3.554) 14.331 21.343 ( -2.323 -3.950 -2.525) 5.232 21.832 ( -1.658 -13.643 -10.244) 17.141 22.255 ( 0.095 2.871 0.289) 2.887 22.296 ( 1.479 3.326 2.370) 4.344 22.654 ( -1.522 1.692 -2.122) 3.112 22.693 ( -1.148 0.357 -0.415) 1.272 24.310 ( 6.766 18.423 5.260) 20.318 25.149 ( -3.903 12.109 -0.332) 12.726 25.388 ( -1.474 9.910 -0.406) 10.027 26.390 ( -17.324 1.999 19.114) 25.874 26.539 ( 12.366 -0.579 -9.187) 15.416 27.632 ( 13.310 -5.900 13.330) 19.740 28.191 ( -14.226 -4.415 -9.364) 17.594 28.516 ( -2.895 -5.656 2.140) 6.705 28.649 ( -4.348 -4.957 0.729) 6.633 28.943 ( 1.580 4.093 -2.592) 5.095 29.155 ( 12.461 -4.996 -3.624) 13.906 29.423 ( 1.966 -9.162 -2.233) 9.633 30.307 ( 3.350 -2.324 -2.831) 4.964 30.900 ( -9.447 18.827 -3.456) 21.346 31.594 ( 3.608 -5.970 -2.556) 7.429 31.783 ( 2.860 3.050 -6.336) 7.592 32.445 ( -5.371 3.871 2.167) 6.966 32.639 ( -3.476 0.958 1.017) 3.747 33.208 ( 13.089 -6.446 -17.464) 22.757 33.673 ( -0.614 -6.380 -8.649) 10.765 37.583 ( -4.116 -6.331 15.578) 17.311 37.777 ( -3.510 -1.008 5.562) 6.654 38.100 ( 4.093 -4.852 0.025) 6.348 38.763 ( -1.963 -25.138 20.797) 32.685 39.727 ( 3.842 3.920 3.602) 6.565 40.046 ( -0.018 1.945 -0.973) 2.175 40.186 ( -1.287 1.446 -4.772) 5.150 40.320 ( -3.089 1.052 2.482) 4.100 40.817 ( -0.988 -4.054 11.770) 12.487 41.302 ( -4.381 2.290 1.598) 5.196 41.643 ( -12.480 1.807 2.855) 12.930 41.715 ( -4.248 0.016 4.087) 5.895 42.463 ( 3.977 12.367 10.886) 16.949 43.882 ( -19.350 -6.502 -0.668) 20.424 44.940 ( 6.316 18.413 -7.753) 20.953 45.544 ( 5.329 13.889 -30.682) 34.098 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( 35.781 12.599 -16.521) 41.376 2.187 ( 23.463 24.785 15.126) 37.331 2.992 ( 0.601 9.162 7.636) 11.942 3.177 ( -3.461 3.623 -0.759) 5.068 3.420 ( 0.118 12.485 14.644) 19.244 3.669 ( 4.384 2.724 15.999) 16.811 3.905 ( -16.079 8.965 -6.825) 19.633 4.619 ( -16.974 3.087 12.639) 21.387 5.034 ( 1.809 -0.005 -1.926) 2.642 5.136 ( -1.056 -7.255 -2.497) 7.745 5.391 ( 7.910 -3.342 -0.466) 8.600 5.507 ( 3.958 3.588 -8.206) 9.792 5.818 ( -4.048 -0.950 -13.977) 14.582 6.055 ( 5.287 5.183 -4.896) 8.876 6.321 ( -2.493 0.287 -2.839) 3.789 6.423 ( -5.564 -3.884 7.733) 10.288 6.746 ( -1.957 -4.345 7.983) 9.297 6.774 ( -5.421 -4.912 5.986) 9.453 7.241 ( 2.547 -1.221 1.520) 3.207 7.323 ( 8.152 -4.508 9.243) 13.123 7.732 ( 1.714 13.248 7.227) 15.188 8.260 ( -0.598 1.680 -5.691) 5.964 8.410 ( -3.072 -3.830 1.243) 5.065 8.716 ( -3.788 0.621 -0.558) 3.879 9.355 ( 5.378 -9.463 -10.943) 15.434 9.537 ( 2.249 -6.226 -4.973) 8.280 9.666 ( -2.967 1.056 -2.835) 4.237 9.753 ( 1.577 1.110 2.439) 3.109 9.849 ( -2.351 0.632 5.285) 5.819 9.987 ( -6.720 5.513 1.097) 8.761 10.601 ( 10.836 -3.268 2.102) 11.512 10.865 ( 3.155 -4.032 -1.522) 5.342 11.272 ( -7.460 -4.553 -0.424) 8.749 11.411 ( -6.581 -3.498 2.865) 7.985 11.958 ( 4.928 -4.905 -3.993) 8.018 12.049 ( 2.084 -1.685 -1.524) 3.083 12.389 ( 2.105 -18.661 -0.374) 18.783 12.577 ( 0.180 -14.602 1.984) 14.737 12.927 ( -1.020 -2.083 -1.472) 2.747 12.994 ( -2.633 -2.969 -2.383) 4.629 13.244 ( 1.549 5.940 2.867) 6.776 13.364 ( -0.885 2.195 -2.988) 3.812 13.578 ( 2.059 9.593 2.229) 10.062 13.799 ( -0.897 11.773 -4.052) 12.483 13.860 ( -4.539 3.717 -0.102) 5.868 14.045 ( -4.053 12.523 4.043) 13.769 14.836 ( 10.013 -9.529 -9.389) 16.710 15.306 ( 4.276 -2.873 -2.457) 5.708 15.323 ( -4.568 2.475 -15.752) 16.586 15.743 ( 3.598 -0.907 10.446) 11.086 15.884 ( 0.517 1.988 -3.915) 4.421 16.234 ( -6.345 5.384 -0.703) 8.351 16.835 ( 0.268 4.378 6.953) 8.221 17.115 ( -12.431 4.476 11.677) 17.633 17.643 ( 9.986 1.542 -3.485) 10.688 18.168 ( -12.527 1.600 -7.724) 14.803 18.499 ( 9.447 -3.229 6.535) 11.933 18.836 ( -4.797 0.451 1.711) 5.113 19.117 ( 4.009 -2.821 -0.116) 4.903 19.300 ( 2.051 -1.664 1.119) 2.869 19.385 ( 7.104 -5.078 -6.199) 10.709 19.591 ( 5.769 -1.536 -2.753) 6.574 19.705 ( 7.736 2.234 -2.879) 8.551 19.953 ( -4.711 -2.265 0.445) 5.246 20.227 ( -0.964 -3.986 -0.648) 4.152 20.673 ( -9.826 -3.339 -2.770) 10.741 21.368 ( 4.855 -7.030 0.817) 8.583 21.735 ( -7.538 -6.939 -2.427) 10.529 22.263 ( 0.546 2.524 0.437) 2.619 22.325 ( 1.137 4.222 2.592) 5.083 22.633 ( -0.529 1.394 -1.507) 2.120 22.661 ( -1.660 0.291 1.007) 1.963 24.484 ( 9.655 9.420 0.874) 13.517 25.063 ( -4.518 14.722 3.686) 15.835 25.395 ( 2.477 3.578 4.438) 6.216 26.000 ( -18.741 4.086 20.099) 27.783 26.895 ( 21.513 1.659 -11.749) 24.568 27.757 ( -13.592 -3.804 -10.241) 17.438 27.994 ( 6.248 1.089 7.601) 9.900 28.390 ( -7.619 -2.054 6.885) 10.472 28.684 ( 5.173 -8.156 -1.661) 9.800 28.950 ( -1.527 0.151 -2.988) 3.359 29.352 ( 5.709 -7.262 -5.273) 10.636 29.449 ( 2.158 -7.735 -2.625) 8.448 30.338 ( -0.002 2.096 -10.340) 10.550 30.716 ( -7.635 17.347 -0.987) 18.979 31.689 ( 5.544 -4.307 1.760) 7.238 31.832 ( 1.076 1.314 -2.511) 3.032 32.380 ( -1.047 0.637 2.646) 2.916 32.543 ( -5.443 0.406 1.799) 5.747 33.426 ( 8.580 -6.587 -21.806) 24.341 33.642 ( -2.649 -5.212 -13.727) 14.920 37.544 ( 0.301 -1.443 12.154) 12.243 37.681 ( -4.987 1.841 6.177) 8.149 38.218 ( 6.283 -12.595 -0.450) 14.083 38.701 ( -3.834 -13.566 14.078) 19.923 39.831 ( 6.406 2.634 2.896) 7.508 40.049 ( -0.144 2.122 -1.565) 2.641 40.129 ( -4.466 1.925 -0.647) 4.906 40.246 ( -3.465 4.607 2.404) 6.246 40.833 ( 2.814 0.313 6.637) 7.216 41.155 ( -8.910 10.533 4.006) 14.366 41.491 ( -1.285 -1.778 3.181) 3.864 41.637 ( -4.068 -0.094 4.415) 6.004 42.690 ( 15.899 4.143 6.015) 17.497 43.492 ( -19.392 -0.788 3.752) 19.767 45.129 ( 11.169 10.379 -8.503) 17.458 45.524 ( -5.889 5.583 -16.603) 18.480 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.14 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.306 ( 0.000 -2.073 -30.985) 31.054 2.587 ( 0.000 15.375 5.696) 16.397 2.674 ( 0.000 15.239 11.274) 18.956 3.023 ( 0.000 16.081 -17.164) 23.521 3.446 ( 0.000 0.176 1.512) 1.522 3.719 ( 0.000 0.850 7.789) 7.835 3.982 ( -0.000 19.495 30.919) 36.552 4.277 ( 0.000 11.832 16.199) 20.061 5.085 ( -0.000 -8.013 -0.903) 8.064 5.094 ( 0.000 -4.451 -1.500) 4.697 5.540 ( 0.000 -1.825 -8.284) 8.483 5.595 ( 0.000 2.432 -3.986) 4.669 5.665 ( 0.000 -4.700 -19.253) 19.818 6.112 ( 0.000 10.684 -6.967) 12.755 6.320 ( 0.000 -1.803 6.694) 6.932 6.324 ( -0.000 -1.973 2.299) 3.029 6.719 ( 0.000 -5.751 4.315) 7.190 6.734 ( 0.000 -1.434 7.777) 7.909 7.308 ( 0.000 -4.520 1.335) 4.714 7.374 ( 0.000 -9.868 9.043) 13.385 7.832 ( 0.000 6.862 9.127) 11.419 8.132 ( 0.000 2.414 9.768) 10.062 8.413 ( 0.000 1.517 -4.311) 4.570 8.676 ( 0.000 5.011 -0.534) 5.039 9.458 ( 0.000 -9.046 -10.560) 13.904 9.503 ( 0.000 -5.054 -9.542) 10.798 9.703 ( -0.000 -1.723 -1.777) 2.475 9.711 ( 0.000 1.719 3.938) 4.297 9.858 ( 0.000 4.530 6.609) 8.012 9.880 ( 0.000 3.673 2.723) 4.572 10.777 ( 0.000 -7.357 -3.583) 8.183 10.855 ( 0.000 -2.583 -0.068) 2.584 11.195 ( 0.000 -2.630 -1.605) 3.081 11.325 ( 0.000 -1.505 5.916) 6.105 12.026 ( 0.000 -4.751 -3.576) 5.946 12.049 ( 0.000 -4.256 -2.512) 4.942 12.414 ( 0.000 -16.088 -2.238) 16.243 12.577 ( 0.000 -16.808 3.887) 17.252 12.918 ( 0.000 -2.068 -1.494) 2.551 12.962 ( 0.000 -3.397 -3.986) 5.237 13.261 ( 0.000 7.754 1.373) 7.874 13.349 ( 0.000 0.241 -1.539) 1.557 13.631 ( 0.000 6.170 -0.664) 6.205 13.787 ( 0.000 4.315 1.935) 4.729 13.794 ( 0.000 10.872 -4.379) 11.720 14.006 ( 0.000 15.842 6.299) 17.048 14.948 ( 0.000 -9.917 -19.888) 22.223 15.235 ( 0.000 2.249 -12.462) 12.664 15.411 ( 0.000 -10.660 1.358) 10.746 15.723 ( 0.000 1.315 14.020) 14.082 15.987 ( 0.000 3.555 -3.649) 5.094 16.082 ( -0.000 8.536 9.890) 13.064 16.914 ( 0.000 5.685 7.730) 9.595 16.926 ( -0.000 5.093 3.823) 6.369 17.844 ( 0.000 -1.889 -11.618) 11.770 17.941 ( -0.000 3.144 -3.192) 4.480 18.654 ( 0.000 -3.334 1.325) 3.588 18.708 ( 0.000 0.731 4.715) 4.771 19.198 ( 0.000 -3.679 -1.050) 3.826 19.261 ( -0.000 0.465 1.346) 1.424 19.507 ( 0.000 -7.920 -10.136) 12.864 19.668 ( 0.000 -2.805 -4.344) 5.171 19.839 ( 0.000 -0.262 1.267) 1.294 19.839 ( -0.000 -1.133 -0.243) 1.158 20.243 ( 0.000 -7.064 -7.046) 9.977 20.526 ( 0.000 4.845 2.956) 5.676 21.470 ( 0.000 -9.231 0.691) 9.256 21.605 ( 0.000 -2.828 3.826) 4.758 22.269 ( 0.000 2.373 0.321) 2.395 22.336 ( 0.000 4.544 2.539) 5.205 22.634 ( 0.000 0.819 -0.380) 0.903 22.637 ( -0.000 0.799 0.105) 0.806 24.610 ( 0.000 1.422 -7.393) 7.529 25.000 ( 0.000 20.450 10.828) 23.140 25.450 ( 0.000 -4.301 6.255) 7.591 25.768 ( 0.000 10.408 20.939) 23.383 27.347 ( -21.899 1.017 -13.536) 25.765 27.347 ( 21.899 0.901 -12.074) 25.023 28.157 ( -0.000 -2.465 6.581) 7.027 28.254 ( 0.000 1.438 8.886) 9.001 28.770 ( 0.000 -7.908 -4.574) 9.135 28.906 ( 0.000 -5.217 -0.058) 5.218 29.393 ( 0.000 -7.024 -6.358) 9.475 29.491 ( 0.000 -5.581 -3.552) 6.615 30.333 ( 0.000 3.878 -12.314) 12.910 30.634 ( 0.000 16.444 0.084) 16.445 31.781 ( 0.000 -2.159 3.622) 4.217 31.812 ( 0.000 -0.856 0.728) 1.124 32.389 ( 0.000 -1.645 0.486) 1.715 32.465 ( 0.000 1.695 2.157) 2.744 33.549 ( -0.000 -6.039 -19.569) 20.479 33.576 ( 0.000 -4.761 -17.642) 18.273 37.571 ( 0.000 0.068 8.373) 8.373 37.608 ( 0.000 1.772 8.392) 8.577 38.295 ( 0.000 -17.581 -0.912) 17.604 38.650 ( 0.000 -6.745 12.076) 13.832 39.967 ( 0.000 1.402 0.939) 1.688 39.977 ( -0.000 -0.530 2.598) 2.652 40.081 ( 0.000 5.414 -1.492) 5.616 40.209 ( 0.000 6.311 2.358) 6.737 40.890 ( 0.000 2.045 1.766) 2.702 41.036 ( 0.000 8.422 6.950) 10.919 41.505 ( 0.000 -2.943 2.376) 3.782 41.578 ( 0.000 0.321 5.042) 5.052 42.965 ( 0.000 -4.651 -1.068) 4.772 43.187 ( 0.000 6.876 10.854) 12.848 45.341 ( 0.000 6.007 -10.868) 12.418 45.364 ( -0.000 6.185 -10.970) 12.594 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 29.294 30.354) 42.184 1.931 ( 0.000 39.385 13.707) 41.702 3.122 ( 0.000 18.896 18.907) 26.731 3.295 ( 0.000 -4.278 6.075) 7.430 3.479 ( 0.000 1.541 10.828) 10.937 3.686 ( 0.000 7.557 3.985) 8.544 4.258 ( 0.000 -15.628 2.832) 15.883 4.633 ( 0.000 -13.094 1.252) 13.154 5.092 ( 0.000 15.855 -9.740) 18.608 5.355 ( 0.000 10.851 -9.776) 14.605 5.471 ( 0.000 -0.026 -1.256) 1.256 5.566 ( 0.000 0.234 -5.135) 5.140 5.807 ( 0.000 1.577 -9.678) 9.805 5.974 ( 0.000 24.334 5.999) 25.062 6.210 ( 0.000 -7.855 -7.463) 10.835 6.478 ( 0.000 0.092 13.665) 13.665 6.642 ( 0.000 -10.049 2.075) 10.261 6.846 ( 0.000 -0.808 14.563) 14.585 7.285 ( 0.000 -3.736 -9.757) 10.448 7.687 ( 0.000 -5.435 -2.541) 6.000 7.750 ( 0.000 12.548 -2.904) 12.880 8.113 ( 0.000 1.377 -19.294) 19.343 8.300 ( 0.000 11.671 -1.179) 11.730 8.690 ( 0.000 -8.561 -3.519) 9.256 9.222 ( 0.000 -4.483 17.426) 17.993 9.236 ( 0.000 -4.272 -12.388) 13.104 9.666 ( 0.000 -7.258 1.165) 7.351 9.746 ( 0.000 -8.423 8.829) 12.202 9.881 ( 0.000 8.657 2.316) 8.962 10.220 ( 0.000 -4.157 1.474) 4.410 10.301 ( 0.000 4.481 0.887) 4.568 10.640 ( 0.000 -4.009 -0.505) 4.041 11.274 ( 0.000 -12.301 -2.975) 12.655 11.544 ( 0.000 -14.497 -5.419) 15.476 11.730 ( 0.000 4.075 2.891) 4.996 11.928 ( 0.000 -7.415 6.963) 10.172 12.136 ( 0.000 7.833 1.714) 8.018 12.346 ( 0.000 -7.826 1.291) 7.932 12.963 ( 0.000 -2.728 1.945) 3.350 12.966 ( 0.000 -1.161 0.596) 1.305 13.175 ( 0.000 -5.175 -0.408) 5.191 13.454 ( 0.000 -2.261 4.713) 5.227 13.778 ( 0.000 5.254 -7.616) 9.252 14.068 ( 0.000 -0.079 -4.615) 4.616 14.166 ( 0.000 16.361 -3.747) 16.785 14.243 ( 0.000 2.339 6.233) 6.657 14.505 ( 0.000 5.010 6.854) 8.490 15.273 ( 0.000 -6.765 -9.108) 11.346 15.351 ( 0.000 -5.403 -16.092) 16.975 15.527 ( 0.000 -2.591 -2.357) 3.502 16.084 ( 0.000 6.302 -2.373) 6.734 16.271 ( 0.000 9.964 -25.274) 27.167 17.078 ( 0.000 -1.133 -0.391) 1.199 17.307 ( 0.000 -3.881 29.852) 30.104 17.823 ( 0.000 5.537 13.517) 14.607 18.112 ( 0.000 1.543 16.094) 16.167 18.575 ( 0.000 0.197 -9.601) 9.603 18.585 ( 0.000 2.091 -9.091) 9.328 19.095 ( 0.000 -2.251 4.718) 5.228 19.156 ( 0.000 -0.720 0.713) 1.014 19.317 ( 0.000 2.315 1.862) 2.971 19.462 ( 0.000 0.756 1.171) 1.394 19.535 ( 0.000 7.304 -3.624) 8.154 20.070 ( 0.000 -5.019 -2.226) 5.490 20.139 ( 0.000 -3.228 7.212) 7.901 20.537 ( 0.000 -17.127 -5.149) 17.884 21.334 ( 0.000 -4.089 0.160) 4.092 21.473 ( 0.000 -15.484 -3.932) 15.975 22.312 ( 0.000 2.564 0.056) 2.564 22.333 ( 0.000 2.727 1.385) 3.059 22.675 ( 0.000 -0.027 0.465) 0.466 22.711 ( 0.000 -0.770 -3.123) 3.217 24.779 ( 0.000 31.417 -8.123) 32.450 25.455 ( 0.000 12.120 -0.997) 12.161 25.559 ( 0.000 3.787 -1.550) 4.092 26.336 ( 0.000 -7.719 -20.058) 21.492 26.762 ( 0.000 12.363 22.724) 25.869 27.322 ( 0.000 -5.204 19.348) 20.036 28.189 ( 0.000 -9.744 -3.718) 10.429 28.380 ( 0.000 -4.218 -11.472) 12.223 28.643 ( 0.000 -6.994 0.895) 7.051 28.886 ( 0.000 -5.717 0.246) 5.723 28.931 ( 0.000 -0.157 4.079) 4.082 29.192 ( 0.000 -12.950 5.348) 14.011 30.431 ( 0.000 17.542 -5.822) 18.483 31.369 ( 0.000 17.187 -7.363) 18.698 31.393 ( 0.000 -10.393 -6.325) 12.167 31.803 ( 0.000 1.460 -7.974) 8.106 32.666 ( 0.000 0.858 -3.032) 3.151 32.681 ( 0.000 5.164 -3.122) 6.034 32.957 ( 0.000 -1.772 -0.393) 1.815 33.479 ( 0.000 -12.554 -4.304) 13.271 37.515 ( 0.000 -2.727 13.699) 13.967 37.678 ( 0.000 -5.784 5.015) 7.655 38.092 ( 0.000 0.977 2.366) 2.559 38.399 ( 0.000 -11.922 11.986) 16.906 39.801 ( 0.000 6.962 2.904) 7.544 40.089 ( 0.000 2.637 -0.383) 2.664 40.151 ( 0.000 -3.838 -3.431) 5.148 40.332 ( 0.000 -3.049 3.138) 4.375 40.819 ( 0.000 3.752 4.877) 6.153 41.241 ( 0.000 -6.590 0.802) 6.638 41.722 ( 0.000 -0.556 4.316) 4.351 41.731 ( 0.000 -2.844 1.855) 3.396 42.774 ( 0.000 16.052 4.604) 16.699 43.790 ( 0.000 -18.065 -2.676) 18.262 45.258 ( 0.000 15.901 -8.727) 18.139 45.748 ( 0.000 4.474 -26.643) 27.016 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 4.324 29.389 11.743) 31.943 2.256 ( 21.477 28.145 14.122) 38.116 3.101 ( 0.329 6.989 8.714) 11.175 3.312 ( 0.633 1.555 5.688) 5.931 3.569 ( 4.818 6.505 11.589) 14.136 3.733 ( 5.873 13.722 12.590) 19.527 4.165 ( -7.323 -11.406 -2.117) 13.719 4.679 ( 2.847 -11.909 -1.844) 12.383 5.054 ( -4.798 11.189 1.905) 12.322 5.208 ( -7.020 5.001 -10.050) 13.239 5.382 ( -5.610 3.741 -1.389) 6.885 5.658 ( 1.526 5.099 -3.874) 6.583 5.836 ( 1.321 5.851 -11.807) 13.244 6.018 ( 5.599 9.963 2.360) 11.669 6.243 ( 2.833 -5.824 -3.937) 7.579 6.459 ( -2.684 -0.411 3.134) 4.147 6.626 ( -1.388 -7.709 8.289) 11.404 6.847 ( -0.027 1.668 14.468) 14.564 7.158 ( -8.157 -3.079 -7.197) 11.306 7.571 ( -7.513 5.931 -5.725) 11.154 7.816 ( -0.023 -2.729 3.546) 4.475 8.162 ( 6.776 2.899 -15.835) 17.466 8.426 ( 7.541 9.772 -2.082) 12.517 8.714 ( 1.596 -4.985 -1.265) 5.385 9.094 ( -3.867 -8.904 4.140) 10.554 9.345 ( 4.140 -5.017 -6.331) 9.077 9.655 ( -0.563 -6.069 1.022) 6.181 9.737 ( -0.806 -6.670 5.975) 8.991 9.902 ( 1.025 6.831 3.010) 7.535 10.159 ( -4.894 0.317 -1.013) 5.008 10.391 ( 6.548 -0.266 7.048) 9.624 10.679 ( 4.333 -4.600 1.525) 6.501 11.264 ( -1.049 -10.765 -2.493) 11.100 11.464 ( -7.232 -5.664 -1.378) 9.288 11.761 ( 2.774 -3.242 -0.426) 4.288 11.969 ( 3.510 -6.956 5.446) 9.506 12.090 ( -3.102 0.557 0.326) 3.169 12.359 ( -0.144 -7.222 1.486) 7.375 12.932 ( -1.496 -0.962 -1.823) 2.547 12.979 ( -0.808 -2.714 -1.460) 3.186 13.184 ( 1.843 -3.674 1.860) 4.511 13.474 ( 1.508 -0.344 4.403) 4.667 13.740 ( -2.927 4.738 -3.755) 6.717 13.989 ( -7.318 1.873 2.399) 7.925 14.133 ( -1.853 14.073 -4.891) 15.014 14.246 ( 0.853 4.625 -0.299) 4.713 14.600 ( 7.296 4.451 4.443) 9.632 15.195 ( -3.248 -6.226 -9.864) 12.108 15.409 ( -0.145 -3.769 -16.480) 16.906 15.565 ( 4.735 -6.540 3.217) 8.691 16.009 ( -3.616 8.532 -5.432) 10.742 16.380 ( 5.779 9.479 -12.905) 17.023 16.972 ( -8.076 -0.231 6.393) 10.303 17.283 ( -2.056 -3.206 18.070) 18.467 17.716 ( -6.007 7.290 7.465) 12.040 18.240 ( 8.682 -0.285 12.460) 15.190 18.455 ( -8.698 3.232 -11.305) 14.626 18.726 ( 9.293 -2.182 -2.680) 9.915 19.090 ( -1.382 -4.431 -1.209) 4.797 19.156 ( 0.480 0.669 3.531) 3.626 19.321 ( 1.496 1.056 0.400) 1.874 19.495 ( 2.319 -0.061 0.315) 2.341 19.607 ( 6.296 5.223 -3.095) 8.746 19.975 ( -5.780 -4.796 0.567) 7.532 20.167 ( -0.026 -4.864 -1.414) 5.065 20.591 ( 4.298 -10.685 -0.248) 11.520 21.225 ( -5.472 -6.832 -0.918) 8.801 21.568 ( 4.185 -11.925 1.046) 12.681 22.312 ( 0.217 2.745 -0.399) 2.782 22.357 ( 1.940 2.697 1.664) 3.715 22.669 ( -0.567 0.286 -0.327) 0.714 22.698 ( -1.231 -0.182 -1.147) 1.692 24.750 ( -2.289 25.315 -9.493) 27.134 25.396 ( -3.848 10.306 0.005) 11.001 25.548 ( -1.907 6.191 0.383) 6.489 26.394 ( -6.123 -3.056 6.689) 9.569 26.623 ( 3.520 9.506 -0.638) 10.157 27.545 ( 15.640 -3.327 13.224) 20.750 28.062 ( -9.059 -7.163 -7.571) 13.809 28.416 ( -1.728 -4.590 -0.803) 4.970 28.554 ( -3.152 -4.154 0.997) 5.309 28.935 ( 0.434 -5.331 1.307) 5.506 29.018 ( 7.667 -6.581 -0.203) 10.106 29.213 ( 2.865 -10.811 1.342) 11.265 30.460 ( 2.355 15.434 -8.633) 17.841 31.254 ( -8.543 15.028 -5.689) 18.199 31.456 ( 4.223 -6.980 -6.190) 10.240 31.829 ( 2.079 1.423 -6.200) 6.692 32.506 ( -7.997 2.619 3.029) 8.944 32.657 ( -5.259 0.328 -0.568) 5.300 33.110 ( 10.859 -2.737 -8.613) 14.128 33.500 ( 1.401 -10.801 -7.691) 13.333 37.510 ( 0.208 -1.016 11.540) 11.587 37.709 ( 1.870 -4.935 4.973) 7.252 38.040 ( -3.661 -1.109 1.888) 4.266 38.428 ( 1.969 -11.665 12.983) 17.565 39.828 ( 2.592 6.272 2.787) 7.336 40.089 ( 0.028 2.181 -1.372) 2.577 40.158 ( 0.279 -3.123 -2.685) 4.128 40.307 ( -2.276 -2.731 3.707) 5.136 40.835 ( 1.880 4.775 3.984) 6.497 41.254 ( 1.327 -5.296 0.913) 5.536 41.662 ( -6.181 0.245 2.045) 6.515 41.702 ( -3.221 -0.730 3.717) 4.973 42.736 ( -1.318 14.747 3.660) 15.251 43.681 ( -9.724 -12.437 1.552) 15.863 45.272 ( 2.011 15.176 -9.103) 17.811 45.718 ( -3.235 3.134 -21.573) 22.038 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( 16.956 13.914 -15.641) 26.940 2.657 ( 16.787 18.168 5.926) 25.436 3.150 ( 2.484 4.780 8.328) 9.918 3.283 ( -3.468 9.073 -8.293) 12.772 3.566 ( -3.135 4.293 12.284) 13.385 3.809 ( -4.209 8.041 -6.032) 10.898 4.171 ( 11.928 15.144 14.740) 24.268 4.625 ( -7.136 -4.431 -2.976) 8.912 5.031 ( 1.124 1.342 14.848) 14.951 5.072 ( -7.246 1.666 -5.217) 9.083 5.325 ( 0.851 -2.112 -0.748) 2.397 5.645 ( 0.931 9.829 -7.642) 12.485 5.823 ( -4.118 1.216 -14.041) 14.683 6.146 ( 5.523 4.106 -1.513) 7.046 6.284 ( -0.213 -4.656 1.929) 5.044 6.370 ( -4.112 -1.050 -1.417) 4.474 6.601 ( -1.245 -6.747 7.013) 9.811 6.818 ( -1.869 9.644 15.068) 17.988 7.107 ( 2.675 -9.203 -0.463) 9.595 7.401 ( -8.607 6.527 -4.169) 11.579 7.835 ( 3.982 -3.050 5.018) 7.095 8.200 ( -5.683 -0.632 -7.986) 9.822 8.539 ( 4.036 8.207 2.160) 9.397 8.742 ( 1.929 3.796 2.097) 4.747 9.132 ( 6.187 -12.843 -7.924) 16.310 9.405 ( 1.796 -6.171 -10.286) 12.129 9.642 ( -0.915 -3.504 -1.374) 3.873 9.726 ( -0.176 -5.401 6.781) 8.671 9.890 ( -1.489 3.655 7.975) 8.898 10.041 ( -6.779 0.220 3.008) 7.420 10.526 ( 7.059 -3.566 3.399) 8.609 10.789 ( 4.754 -2.545 4.556) 7.059 11.232 ( -1.989 -4.763 -0.632) 5.200 11.310 ( -6.509 -1.598 -0.391) 6.713 11.829 ( 3.897 -7.508 -1.700) 8.628 11.992 ( -2.839 -3.313 0.654) 4.412 12.091 ( 4.414 -11.075 1.265) 11.989 12.314 ( -4.127 -10.704 2.141) 11.670 12.907 ( -0.876 -0.050 -5.378) 5.450 12.942 ( -2.090 -1.281 -5.558) 6.074 13.250 ( 3.834 -3.770 0.621) 5.412 13.485 ( -0.784 6.023 4.460) 7.535 13.707 ( 0.356 2.907 4.270) 5.178 13.847 ( -6.011 2.796 6.022) 8.956 14.092 ( -1.907 12.012 -8.079) 14.601 14.276 ( 1.689 8.624 1.071) 8.853 14.732 ( 4.985 -1.188 -8.997) 10.354 15.169 ( -0.630 -7.767 -6.285) 10.011 15.356 ( -1.979 0.409 -11.469) 11.646 15.683 ( 5.220 -4.685 9.817) 12.066 15.985 ( 1.115 5.300 -3.586) 6.495 16.351 ( -8.533 6.299 10.059) 14.617 16.925 ( 4.440 5.389 -0.340) 6.991 17.205 ( -6.092 3.263 11.441) 13.367 17.689 ( 4.197 3.224 -9.537) 10.907 18.209 ( -13.127 2.347 -12.212) 18.082 18.431 ( 8.444 -3.207 7.475) 11.724 18.825 ( -3.492 -2.329 5.309) 6.768 19.060 ( 3.588 -1.832 -1.947) 4.475 19.255 ( 6.349 -2.987 -3.273) 7.742 19.332 ( -0.242 0.001 -0.322) 0.403 19.552 ( 3.185 -2.147 -1.195) 4.023 19.721 ( 3.869 -0.640 -3.183) 5.050 19.875 ( -4.311 -4.885 0.372) 6.526 20.153 ( -0.253 -3.036 -8.431) 8.964 20.643 ( -0.025 0.577 3.990) 4.031 21.197 ( 2.915 -9.594 3.356) 10.574 21.579 ( -2.797 -8.179 7.850) 11.677 22.319 ( 0.409 2.753 -1.081) 2.986 22.396 ( 1.685 2.973 2.009) 3.965 22.657 ( -0.469 0.988 -0.928) 1.435 22.670 ( -1.268 0.467 0.801) 1.570 24.715 ( -0.880 13.590 -14.692) 20.033 25.353 ( 0.180 9.666 3.386) 10.243 25.490 ( -3.692 7.979 4.323) 9.797 26.117 ( -13.286 7.305 26.882) 30.863 26.953 ( 21.462 4.343 -16.665) 27.518 27.704 ( -8.200 -1.328 -11.042) 13.818 27.961 ( 5.905 -4.948 7.031) 10.431 28.326 ( -5.174 -4.003 7.270) 9.780 28.566 ( 3.053 -3.557 0.012) 4.687 28.862 ( -6.517 -8.123 2.825) 10.791 29.171 ( 6.255 -8.817 -4.564) 11.734 29.293 ( 3.954 -8.286 -2.841) 9.611 30.502 ( 1.513 13.379 -14.986) 20.147 31.069 ( -8.562 17.374 -3.921) 19.763 31.576 ( 7.699 -7.220 -1.020) 10.604 31.846 ( -1.579 -0.271 -2.948) 3.355 32.393 ( -3.389 0.665 4.384) 5.581 32.542 ( -4.996 -0.690 3.067) 5.903 33.306 ( 8.308 -4.610 -14.733) 17.531 33.507 ( -1.104 -7.971 -12.752) 15.079 37.540 ( 2.689 1.235 8.312) 8.823 37.705 ( -2.514 0.266 5.172) 5.757 37.998 ( -0.239 -8.465 -0.215) 8.471 38.455 ( 0.640 -10.950 15.116) 18.676 39.899 ( 4.298 4.347 2.267) 6.520 40.077 ( -2.146 0.757 -1.947) 2.995 40.152 ( -0.467 0.085 -0.456) 0.658 40.265 ( -1.356 -2.176 2.983) 3.933 40.906 ( 5.204 6.668 1.614) 8.610 41.275 ( -0.831 0.347 2.487) 2.645 41.493 ( -7.633 2.648 1.363) 8.193 41.627 ( -4.019 -0.919 3.327) 5.298 42.788 ( 5.990 5.283 0.318) 7.993 43.458 ( -11.311 -2.463 9.693) 15.098 45.350 ( 5.570 11.012 -9.953) 15.854 45.620 ( -6.303 3.146 -15.112) 16.673 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.29 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 0.000 1.336 -34.294) 34.320 2.842 ( 0.000 3.171 7.635) 8.268 3.097 ( 0.000 22.880 10.554) 25.197 3.300 ( 0.000 11.455 -4.647) 12.362 3.542 ( 0.000 13.562 -12.573) 18.494 3.690 ( 0.000 0.811 -0.424) 0.915 4.412 ( -0.000 -0.467 4.393) 4.418 4.499 ( 0.000 22.089 19.995) 29.795 4.947 ( 0.000 -2.117 1.901) 2.846 5.032 ( 0.000 -0.002 6.433) 6.433 5.403 ( 0.000 -9.316 -4.027) 10.149 5.640 ( 0.000 1.847 1.449) 2.348 5.768 ( 0.000 11.843 -21.306) 24.376 6.184 ( 0.000 -3.656 -5.905) 6.945 6.293 ( -0.000 -0.649 5.481) 5.519 6.311 ( 0.000 -0.299 6.519) 6.526 6.589 ( 0.000 -6.300 2.265) 6.695 6.803 ( 0.000 10.547 17.538) 20.465 7.184 ( 0.000 -9.864 -5.152) 11.128 7.268 ( 0.000 2.681 0.282) 2.695 7.960 ( -0.000 2.914 8.803) 9.273 8.042 ( 0.000 -5.666 -4.678) 7.348 8.575 ( 0.000 9.060 1.584) 9.198 8.774 ( 0.000 5.874 1.400) 6.039 9.226 ( 0.000 -13.843 -12.073) 18.368 9.408 ( 0.000 -4.518 -13.414) 14.155 9.646 ( 0.000 -3.207 0.271) 3.219 9.708 ( 0.000 -4.396 8.460) 9.534 9.912 ( 0.000 0.393 7.875) 7.885 9.918 ( 0.000 1.172 8.838) 8.916 10.624 ( 0.000 -7.036 -1.173) 7.133 10.823 ( 0.000 0.679 5.169) 5.214 11.226 ( -0.000 4.835 -0.527) 4.863 11.227 ( 0.000 -7.578 0.570) 7.600 11.904 ( 0.000 -10.245 -1.417) 10.342 11.923 ( -0.000 -4.017 -0.952) 4.128 12.178 ( 0.000 -8.724 1.066) 8.789 12.232 ( 0.000 -15.596 2.940) 15.871 12.901 ( 0.000 0.286 -5.036) 5.044 12.916 ( 0.000 -0.307 -8.533) 8.538 13.297 ( 0.000 -5.635 -3.181) 6.471 13.467 ( 0.000 10.370 7.391) 12.734 13.741 ( -0.000 7.822 6.102) 9.921 13.763 ( 0.000 -3.530 7.811) 8.572 14.071 ( 0.000 11.822 -9.096) 14.916 14.296 ( 0.000 11.087 2.940) 11.470 14.784 ( 0.000 -6.512 -19.517) 20.575 15.146 ( 0.000 -7.727 -6.670) 10.207 15.362 ( 0.000 2.826 -4.357) 5.193 15.732 ( 0.000 0.421 15.110) 15.116 16.027 ( 0.000 0.119 -5.113) 5.114 16.210 ( -0.000 3.479 17.481) 17.824 17.056 ( 0.000 7.733 8.978) 11.849 17.065 ( -0.000 9.171 0.506) 9.185 17.810 ( 0.000 -1.583 -24.925) 24.976 17.998 ( -0.000 2.466 -5.804) 6.306 18.563 ( 0.000 -5.574 0.591) 5.605 18.720 ( 0.000 0.348 12.380) 12.385 19.133 ( 0.000 -2.055 -3.895) 4.403 19.282 ( 0.000 1.634 2.750) 3.199 19.372 ( 0.000 -6.104 -9.257) 11.088 19.594 ( 0.000 -4.356 -1.170) 4.511 19.757 ( 0.000 -5.757 -1.707) 6.004 19.815 ( 0.000 -1.906 0.776) 2.058 20.161 ( 0.000 -1.967 -13.648) 13.789 20.626 ( 0.000 6.180 6.949) 9.299 21.262 ( 0.000 -11.714 4.582) 12.579 21.521 ( 0.000 -4.994 12.832) 13.770 22.324 ( 0.000 2.646 -1.402) 2.995 22.414 ( 0.000 3.219 2.226) 3.913 22.653 ( 0.000 0.718 0.407) 0.825 22.656 ( 0.000 1.177 -0.334) 1.224 24.709 ( 0.000 7.551 -18.872) 20.327 25.403 ( -0.000 -1.136 -0.046) 1.137 25.406 ( 0.000 18.862 12.919) 22.862 25.974 ( 0.000 10.487 28.084) 29.978 27.371 ( 0.000 1.739 -12.139) 12.263 27.389 ( -0.000 3.170 -19.385) 19.642 28.090 ( 0.000 -5.010 6.377) 8.110 28.244 ( 0.000 -2.914 9.589) 10.022 28.634 ( 0.000 -5.103 -1.413) 5.295 28.753 ( -0.000 -8.356 4.612) 9.545 29.237 ( 0.000 -8.499 -6.987) 11.002 29.337 ( 0.000 -8.701 -2.624) 9.088 30.517 ( 0.000 13.289 -19.173) 23.328 30.973 ( 0.000 17.236 -1.526) 17.303 31.719 ( 0.000 -4.402 4.841) 6.544 31.767 ( -0.000 -3.845 -3.796) 5.403 32.364 ( 0.000 -0.950 3.010) 3.156 32.487 ( 0.000 0.592 4.522) 4.560 33.420 ( 0.000 -6.402 -17.048) 18.210 33.466 ( 0.000 -5.685 -14.165) 15.263 37.592 ( 0.000 2.221 5.643) 6.064 37.651 ( 0.000 2.493 6.892) 7.329 38.003 ( 0.000 -12.054 -1.797) 12.187 38.460 ( 0.000 -10.399 16.291) 19.327 39.981 ( 0.000 0.830 0.636) 1.046 40.011 ( -0.000 3.082 1.221) 3.315 40.151 ( 0.000 1.171 -1.027) 1.558 40.253 ( 0.000 -1.603 2.266) 2.776 40.993 ( 0.000 7.596 -2.013) 7.858 41.212 ( -0.000 8.592 7.193) 11.206 41.444 ( 0.000 -3.389 -1.029) 3.541 41.572 ( 0.000 -0.731 3.850) 3.919 42.882 ( 0.000 -3.694 -5.125) 6.317 43.314 ( 0.000 5.638 16.900) 17.816 45.477 ( 0.000 6.874 -11.008) 12.978 45.484 ( -0.000 5.408 -12.294) 13.430 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 0.000 22.835 25.848) 34.490 2.505 ( 0.000 15.135 24.124) 28.479 3.092 ( 0.000 -6.073 0.029) 6.073 3.164 ( 0.000 -8.982 3.679) 9.706 3.545 ( 0.000 6.435 8.612) 10.751 3.744 ( 0.000 -11.661 6.850) 13.524 4.227 ( 0.000 11.695 9.167) 14.860 4.422 ( 0.000 -9.066 6.662) 11.251 5.342 ( 0.000 7.975 -10.985) 13.575 5.436 ( 0.000 -3.086 -4.075) 5.112 5.607 ( 0.000 8.592 -6.864) 10.997 5.720 ( 0.000 21.745 -16.744) 27.445 5.763 ( 0.000 -6.417 -9.314) 11.310 6.073 ( 0.000 -9.703 -12.629) 15.926 6.354 ( 0.000 9.388 -3.959) 10.189 6.457 ( 0.000 -7.245 0.177) 7.247 6.579 ( 0.000 11.753 6.314) 13.342 6.968 ( 0.000 -24.342 -11.542) 26.940 7.029 ( 0.000 21.084 17.980) 27.709 7.463 ( 0.000 -17.977 6.145) 18.999 7.958 ( 0.000 9.214 -7.016) 11.581 8.105 ( 0.000 -4.971 -15.015) 15.817 8.518 ( 0.000 7.932 -6.826) 10.465 8.583 ( 0.000 -1.465 -5.764) 5.948 9.199 ( 0.000 1.424 3.826) 4.082 9.225 ( 0.000 2.050 23.360) 23.450 9.504 ( 0.000 -5.954 0.186) 5.957 9.563 ( 0.000 -9.116 8.868) 12.718 10.048 ( 0.000 7.284 -3.047) 7.895 10.150 ( 0.000 -3.591 -0.801) 3.679 10.405 ( 0.000 6.442 2.182) 6.802 10.540 ( 0.000 -6.461 1.313) 6.593 11.109 ( 0.000 -2.183 -4.061) 4.610 11.229 ( 0.000 -13.651 -2.962) 13.969 11.823 ( 0.000 3.740 3.198) 4.921 11.860 ( 0.000 -1.098 3.742) 3.900 12.268 ( 0.000 2.807 2.674) 3.877 12.269 ( 0.000 -0.229 2.974) 2.983 12.915 ( 0.000 -2.394 -0.779) 2.517 12.917 ( 0.000 -1.858 0.052) 1.859 13.157 ( 0.000 4.035 2.132) 4.563 13.301 ( 0.000 -9.736 3.673) 10.406 13.911 ( 0.000 6.925 -6.023) 9.178 14.019 ( 0.000 -4.079 -5.134) 6.557 14.320 ( 0.000 3.454 4.535) 5.701 14.346 ( 0.000 1.588 0.500) 1.665 14.727 ( 0.000 17.447 7.043) 18.814 15.056 ( 0.000 -14.505 1.715) 14.606 15.299 ( 0.000 0.313 -13.915) 13.919 15.384 ( 0.000 -8.391 -11.999) 14.642 16.288 ( 0.000 10.258 -9.034) 13.669 16.384 ( 0.000 0.903 -20.361) 20.381 17.095 ( 0.000 3.051 10.352) 10.792 17.195 ( 0.000 -6.524 22.526) 23.451 17.955 ( 0.000 7.241 15.048) 16.699 18.076 ( 0.000 -4.629 15.597) 16.269 18.609 ( 0.000 1.933 -15.462) 15.582 18.620 ( 0.000 0.902 -13.778) 13.808 19.077 ( 0.000 0.780 6.013) 6.064 19.118 ( 0.000 -2.735 4.145) 4.966 19.372 ( 0.000 3.133 1.590) 3.514 19.431 ( 0.000 -2.741 1.692) 3.221 19.745 ( 0.000 12.555 -6.344) 14.067 19.954 ( 0.000 -7.626 -5.252) 9.260 20.101 ( 0.000 0.691 8.127) 8.157 20.228 ( 0.000 -12.945 1.539) 13.036 21.263 ( 0.000 -2.411 0.527) 2.468 21.276 ( 0.000 -4.702 -0.588) 4.739 22.355 ( 0.000 1.668 0.448) 1.727 22.367 ( 0.000 0.576 0.803) 0.988 22.678 ( 0.000 0.351 -0.064) 0.356 22.691 ( 0.000 -0.990 -1.106) 1.485 25.373 ( 0.000 25.350 -7.070) 26.317 25.583 ( 0.000 -1.572 3.293) 3.649 25.657 ( 0.000 11.585 -10.153) 15.404 26.046 ( 0.000 -21.790 -25.491) 33.534 27.029 ( 0.000 13.262 21.638) 25.379 27.222 ( 0.000 -6.424 20.887) 21.853 28.120 ( 0.000 2.517 -6.171) 6.665 28.245 ( 0.000 -8.610 -9.862) 13.091 28.593 ( 0.000 2.539 3.115) 4.019 28.724 ( 0.000 -9.600 2.923) 10.035 28.940 ( 0.000 1.377 4.906) 5.096 29.002 ( 0.000 -5.751 5.610) 8.034 30.804 ( 0.000 19.157 -8.967) 21.152 31.143 ( 0.000 -15.285 -8.045) 17.273 31.650 ( 0.000 11.005 -9.049) 14.247 31.789 ( 0.000 -3.446 -8.941) 9.582 32.695 ( 0.000 2.093 -3.798) 4.336 32.730 ( 0.000 -0.542 -4.495) 4.528 33.002 ( 0.000 7.444 1.566) 7.607 33.217 ( 0.000 -13.392 -1.145) 13.441 37.515 ( 0.000 2.030 8.805) 9.036 37.579 ( 0.000 -4.281 6.115) 7.465 38.128 ( 0.000 3.156 4.253) 5.296 38.224 ( 0.000 -6.759 6.459) 9.349 39.941 ( 0.000 7.022 0.968) 7.089 40.062 ( 0.000 -5.330 -1.522) 5.543 40.152 ( 0.000 3.956 0.845) 4.045 40.244 ( 0.000 -5.233 2.982) 6.023 40.939 ( 0.000 7.687 1.042) 7.757 41.096 ( 0.000 -8.058 0.453) 8.070 41.704 ( 0.000 -0.271 3.615) 3.625 41.709 ( 0.000 -0.642 4.267) 4.315 43.103 ( 0.000 17.378 1.226) 17.421 43.444 ( 0.000 -17.599 -0.981) 17.626 45.531 ( 0.000 11.931 -11.064) 16.271 45.713 ( 0.000 -6.395 -15.731) 16.981 ======================= Grid point 71 (30/96) ======================= q-point: ( 0.17 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( -5.222 15.732 13.172) 21.172 2.690 ( 12.909 14.141 15.874) 24.872 3.013 ( 1.030 -8.451 1.576) 8.658 3.383 ( 6.610 6.253 2.791) 9.517 3.564 ( 4.220 -7.232 2.926) 8.870 3.822 ( 7.274 -3.372 13.452) 15.660 4.230 ( 2.788 11.778 9.727) 15.528 4.464 ( 3.998 -8.895 5.274) 11.087 5.226 ( -13.127 4.480 -12.097) 18.404 5.323 ( -6.707 4.149 -6.241) 10.058 5.530 ( -8.141 11.927 -2.507) 14.656 5.717 ( 1.723 -1.032 -10.172) 10.368 5.845 ( 4.981 -1.017 -15.962) 16.752 6.117 ( 3.497 -1.974 -6.295) 7.467 6.286 ( -4.364 4.791 -2.448) 6.928 6.455 ( -1.702 -0.342 -2.047) 2.684 6.579 ( -0.557 5.732 6.214) 8.472 6.909 ( -4.010 -10.179 -5.123) 12.080 7.097 ( 4.434 12.296 12.257) 17.918 7.433 ( -1.713 -13.542 3.371) 14.060 7.848 ( -5.882 1.349 -6.991) 9.235 8.225 ( 5.205 0.970 -5.054) 7.319 8.501 ( 1.516 -1.140 -6.685) 6.949 8.716 ( 7.887 4.630 -6.574) 11.263 9.012 ( -7.178 -0.235 12.997) 14.849 9.327 ( 2.015 3.807 1.214) 4.475 9.483 ( -0.197 -10.794 4.486) 11.690 9.597 ( 1.572 -5.225 5.682) 7.878 10.027 ( -1.889 4.643 -2.688) 5.688 10.143 ( -3.760 -1.531 0.803) 4.139 10.432 ( 2.614 4.195 5.598) 7.468 10.584 ( 6.486 -5.267 5.729) 10.131 11.100 ( -0.166 -3.876 -4.348) 5.827 11.284 ( 3.510 -8.644 -0.997) 9.382 11.793 ( -2.200 3.779 1.715) 4.698 11.883 ( 1.829 -2.105 2.657) 3.852 12.133 ( -8.453 3.133 2.871) 9.461 12.258 ( -4.363 -4.747 2.680) 6.983 12.914 ( 0.663 -0.532 -3.805) 3.899 12.937 ( 0.487 -1.200 -2.572) 2.880 13.170 ( 1.033 2.354 1.317) 2.889 13.351 ( 4.933 -7.865 6.992) 11.622 13.852 ( -4.163 4.651 -3.327) 7.074 14.018 ( -1.751 0.325 -1.952) 2.642 14.284 ( -2.163 4.329 -0.654) 4.883 14.331 ( -0.883 0.705 1.164) 1.623 14.773 ( 2.408 12.043 2.617) 12.557 15.056 ( 0.090 -8.279 -3.180) 8.869 15.328 ( 1.317 -2.714 -11.446) 11.837 15.403 ( 4.519 -6.975 -3.034) 8.847 16.166 ( -6.449 5.123 -10.564) 13.395 16.545 ( 6.930 5.702 -6.283) 10.955 16.979 ( -6.434 0.987 7.854) 10.201 17.205 ( 0.081 -3.679 14.903) 15.351 17.827 ( -6.288 3.458 6.876) 9.939 18.230 ( 8.728 -0.584 14.944) 17.316 18.517 ( -9.539 2.348 -16.657) 19.338 18.692 ( 5.450 -1.191 -8.387) 10.073 19.023 ( 0.142 -1.934 0.471) 1.996 19.158 ( -0.296 -0.197 6.125) 6.135 19.359 ( 0.776 1.800 0.152) 1.966 19.476 ( 2.343 -1.190 2.051) 3.334 19.732 ( -1.262 6.471 -6.651) 9.365 19.886 ( -5.419 -4.079 -1.704) 6.994 20.070 ( 1.247 -3.955 -4.757) 6.311 20.429 ( 13.605 -4.947 11.275) 18.349 21.126 ( -6.317 -2.649 -2.180) 7.189 21.402 ( 5.067 -4.579 6.055) 9.127 22.353 ( 0.157 1.297 -0.474) 1.390 22.393 ( 2.062 0.929 1.314) 2.616 22.673 ( -0.270 0.201 -0.363) 0.495 22.689 ( -0.378 -0.469 -0.024) 0.603 25.212 ( -14.097 18.811 -20.124) 30.944 25.486 ( -5.954 -1.220 -2.395) 6.533 25.634 ( 1.259 2.550 4.782) 5.564 26.282 ( 10.497 -6.195 -2.574) 12.457 26.820 ( -4.753 7.483 5.979) 10.692 27.498 ( 16.222 -1.329 16.595) 23.244 27.971 ( -9.676 -1.929 -11.374) 15.057 28.321 ( 0.751 -3.993 1.587) 4.362 28.537 ( -1.661 2.363 0.625) 2.955 28.739 ( -0.719 -9.845 4.188) 10.723 28.984 ( 3.821 0.954 2.165) 4.495 29.056 ( 5.072 -5.159 2.153) 7.548 30.784 ( -1.605 14.753 -12.414) 19.348 31.209 ( 6.286 -10.652 -3.430) 12.835 31.560 ( -7.654 8.443 -13.413) 17.601 31.830 ( 2.283 -1.137 -5.512) 6.074 32.562 ( -8.997 3.205 2.549) 9.885 32.632 ( -7.531 -2.753 0.664) 8.046 33.126 ( 8.370 4.474 -5.889) 11.169 33.286 ( 5.031 -10.090 -5.838) 12.696 37.527 ( 1.653 2.049 7.153) 7.622 37.617 ( 3.083 -3.892 5.910) 7.719 38.043 ( -6.419 0.787 2.207) 6.834 38.267 ( 2.357 -4.777 10.165) 11.476 39.958 ( 1.541 6.691 1.325) 6.993 40.076 ( 1.116 -4.870 -1.352) 5.175 40.133 ( -1.341 1.829 -0.203) 2.277 40.236 ( -0.997 -3.428 3.704) 5.144 40.967 ( 2.997 7.994 0.624) 8.560 41.125 ( 2.821 -7.675 0.330) 8.184 41.662 ( -3.142 -0.045 2.426) 3.970 41.693 ( -3.057 -0.206 4.515) 5.456 43.001 ( -7.894 10.782 -3.453) 13.802 43.446 ( -0.632 -10.003 6.688) 12.049 45.527 ( -0.227 10.858 -11.069) 15.507 45.688 ( -2.386 -5.402 -14.689) 15.832 ======================= Grid point 72 (31/96) ======================= q-point: ( 0.33 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.253 ( 4.692 7.412 -15.279) 17.618 2.896 ( 3.173 9.064 3.181) 10.116 3.100 ( 7.678 -7.000 15.598) 18.741 3.469 ( 7.153 7.084 -8.176) 12.969 3.588 ( -2.435 -3.262 6.734) 7.869 3.989 ( 6.877 8.397 -1.867) 11.014 4.386 ( 2.334 6.274 2.094) 7.014 4.525 ( 5.539 -3.647 1.810) 6.874 5.000 ( -3.154 -1.664 -4.555) 5.785 5.174 ( -6.539 3.121 2.542) 7.679 5.350 ( -9.981 4.073 3.645) 11.379 5.710 ( -2.752 -3.029 1.912) 4.517 5.949 ( 5.117 8.950 -18.058) 20.794 6.187 ( 2.425 -1.328 -0.980) 2.933 6.210 ( -2.939 -0.815 -4.110) 5.118 6.365 ( -6.443 -0.575 2.307) 6.867 6.567 ( 0.142 6.327 -0.952) 6.400 6.869 ( 0.435 -14.305 -7.225) 16.032 7.094 ( -4.836 11.929 6.887) 14.598 7.474 ( 5.079 1.366 8.483) 9.981 7.791 ( 1.371 0.269 0.885) 1.654 8.173 ( -9.670 -2.969 4.295) 10.989 8.578 ( 5.016 -2.372 -10.616) 11.979 8.831 ( 3.905 2.203 -1.589) 4.756 8.999 ( 3.701 1.309 1.398) 4.167 9.343 ( 0.677 0.294 -10.279) 10.305 9.500 ( 1.562 -10.241 8.377) 13.323 9.610 ( -0.231 -3.298 3.483) 4.802 9.961 ( -4.205 2.955 4.828) 7.052 10.020 ( -6.821 -1.772 4.605) 8.419 10.490 ( 3.574 -0.213 2.903) 4.610 10.774 ( 9.436 0.128 11.495) 14.872 11.102 ( 0.040 -4.171 -4.116) 5.860 11.315 ( -0.583 -1.483 3.261) 3.629 11.760 ( -0.654 1.555 -1.667) 2.372 11.928 ( 2.707 -5.037 1.252) 5.854 11.980 ( -5.940 1.510 1.021) 6.213 12.136 ( -6.845 -7.843 2.703) 10.755 12.922 ( -0.101 1.299 -6.808) 6.932 12.938 ( -0.031 0.101 -6.892) 6.892 13.188 ( 0.660 -1.709 -1.512) 2.376 13.475 ( 6.421 -3.537 12.113) 14.158 13.785 ( -2.159 4.233 1.213) 4.904 13.942 ( -4.817 3.760 3.565) 7.075 14.235 ( -2.426 3.378 -5.295) 6.733 14.359 ( 3.400 0.600 0.941) 3.578 14.757 ( -3.580 2.183 -10.744) 11.533 15.058 ( -0.255 -3.037 -9.142) 9.636 15.363 ( 3.174 0.629 -4.749) 5.747 15.581 ( 11.601 -4.379 11.376) 16.828 16.053 ( -4.709 1.780 -7.232) 8.812 16.441 ( -14.227 2.297 21.622) 25.984 17.054 ( 10.600 6.737 -8.384) 15.101 17.209 ( 0.646 -2.547 9.257) 9.622 17.754 ( -0.675 2.475 -9.743) 10.075 18.247 ( -15.143 1.225 -17.546) 23.210 18.386 ( 6.449 -1.314 5.562) 8.617 18.757 ( -0.718 -3.000 7.003) 7.652 19.072 ( 4.029 2.169 -4.067) 6.122 19.187 ( 4.229 -3.340 -1.731) 5.660 19.363 ( -1.456 1.895 0.391) 2.422 19.509 ( 1.035 -1.931 2.485) 3.313 19.697 ( -1.957 -1.074 -6.791) 7.148 19.804 ( -2.409 -1.935 -0.341) 3.109 20.115 ( 2.305 -0.884 -11.356) 11.621 20.679 ( 9.736 2.093 14.222) 17.362 21.038 ( -1.948 -5.401 0.691) 5.783 21.454 ( 0.113 -3.811 13.962) 14.473 22.358 ( 0.240 1.120 -1.538) 1.918 22.436 ( 1.925 1.080 1.763) 2.825 22.671 ( -0.147 0.417 0.055) 0.445 22.675 ( -0.758 -0.009 0.646) 0.996 24.949 ( -10.164 8.093 -26.279) 29.315 25.409 ( -2.233 -0.352 -1.618) 2.780 25.657 ( 0.715 5.370 9.505) 10.940 26.239 ( -7.980 3.859 32.213) 33.411 27.042 ( 20.001 3.456 -22.136) 30.033 27.717 ( -6.326 2.850 -10.726) 12.775 27.831 ( 6.595 -6.825 6.337) 11.412 28.251 ( -5.791 -3.009 8.292) 10.553 28.553 ( 1.846 1.982 0.922) 2.861 28.691 ( -3.427 -7.493 4.327) 9.307 29.066 ( 3.698 -1.992 -2.610) 4.945 29.159 ( 4.237 -4.419 -0.448) 6.139 30.758 ( -0.768 9.685 -18.644) 21.024 31.333 ( -1.453 7.309 -3.551) 8.255 31.436 ( 3.803 -4.724 -7.304) 9.493 31.820 ( -4.372 -1.736 -2.373) 5.268 32.406 ( -5.675 0.618 5.711) 8.075 32.519 ( -3.144 -1.178 5.523) 6.463 33.268 ( 5.431 0.582 -12.414) 13.562 33.365 ( 2.317 -5.662 -10.876) 12.479 37.587 ( 4.156 3.201 5.133) 7.340 37.676 ( 2.321 -3.033 4.354) 5.792 37.907 ( -6.673 -1.456 0.517) 6.850 38.297 ( 0.782 -4.580 14.995) 15.699 39.990 ( 1.231 4.330 1.061) 4.625 40.084 ( -0.204 -0.130 -0.910) 0.942 40.131 ( 1.095 -1.781 0.046) 2.091 40.205 ( -1.799 -2.496 3.583) 4.723 41.058 ( 5.611 8.003 -0.397) 9.782 41.207 ( 5.512 -5.877 0.246) 8.061 41.555 ( -8.716 2.614 2.403) 9.412 41.605 ( -4.071 -1.282 2.385) 4.889 42.870 ( -4.315 2.501 -6.795) 8.429 43.415 ( -1.959 -1.450 16.356) 16.537 45.531 ( 0.857 7.313 -11.412) 13.581 45.628 ( -3.310 -2.336 -12.933) 13.553 ======================= Grid point 73 (32/96) ======================= q-point: (-0.50 0.43 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.000 3.772 -32.040) 32.261 2.865 ( 0.000 0.195 5.830) 5.833 3.254 ( 0.000 0.098 15.083) 15.084 3.432 ( 0.000 2.567 17.957) 18.139 3.752 ( 0.000 3.435 -22.975) 23.231 3.971 ( 0.000 21.736 -16.517) 27.299 4.277 ( 0.000 -11.093 -9.272) 14.457 4.693 ( 0.000 1.551 2.217) 2.705 5.027 ( 0.000 7.795 4.149) 8.830 5.120 ( 0.000 5.403 15.983) 16.871 5.214 ( 0.000 -9.643 4.306) 10.561 5.646 ( 0.000 -1.033 13.034) 13.075 6.050 ( -0.000 14.359 -17.982) 23.012 6.101 ( 0.000 -2.826 -9.892) 10.287 6.256 ( -0.000 -5.294 -3.165) 6.168 6.276 ( 0.000 -1.722 11.720) 11.845 6.575 ( 0.000 8.393 -4.617) 9.579 6.899 ( 0.000 -18.390 -11.381) 21.626 7.007 ( 0.000 5.719 3.524) 6.718 7.532 ( 0.000 21.429 15.332) 26.349 7.893 ( 0.000 -10.384 11.272) 15.326 7.980 ( 0.000 -0.949 -2.184) 2.381 8.636 ( 0.000 -2.516 -12.336) 12.589 8.873 ( 0.000 2.572 -2.039) 3.283 9.051 ( 0.000 -2.156 -0.711) 2.270 9.355 ( 0.000 0.455 -13.415) 13.423 9.527 ( 0.000 -10.525 12.143) 16.069 9.598 ( 0.000 -1.507 -0.156) 1.515 9.918 ( 0.000 -0.482 9.286) 9.298 9.927 ( 0.000 0.680 8.947) 8.973 10.539 ( 0.000 -1.652 0.277) 1.675 10.878 ( 0.000 3.340 11.898) 12.358 11.099 ( 0.000 -4.049 -3.463) 5.328 11.299 ( 0.000 0.793 4.446) 4.516 11.760 ( 0.000 -1.489 -1.877) 2.395 11.912 ( 0.000 2.570 0.728) 2.672 11.990 ( -0.000 -9.064 -2.257) 9.341 12.030 ( 0.000 -6.495 4.185) 7.726 12.919 ( 0.000 1.064 -6.398) 6.486 12.938 ( 0.000 1.450 -9.913) 10.018 13.195 ( 0.000 -3.497 -2.968) 4.587 13.553 ( 0.000 -1.011 14.572) 14.607 13.767 ( 0.000 3.409 3.633) 4.982 13.879 ( 0.000 4.717 4.227) 6.334 14.208 ( 0.000 2.752 -5.908) 6.518 14.411 ( 0.000 1.692 4.490) 4.798 14.700 ( 0.000 -2.117 -20.382) 20.492 15.052 ( 0.000 -1.880 -11.549) 11.701 15.410 ( 0.000 1.453 -0.880) 1.698 15.749 ( 0.000 1.032 17.106) 17.138 16.005 ( 0.000 -1.451 -5.782) 5.961 16.228 ( 0.000 -0.401 22.956) 22.959 17.174 ( 0.000 3.572 10.715) 11.295 17.234 ( 0.000 5.960 0.293) 5.967 17.786 ( 0.000 -0.755 -37.502) 37.510 18.031 ( -0.000 0.934 -7.551) 7.608 18.468 ( 0.000 -3.258 -3.819) 5.020 18.720 ( 0.000 -0.134 19.000) 19.001 19.130 ( 0.000 1.153 -7.496) 7.585 19.271 ( 0.000 -3.717 -7.104) 8.018 19.311 ( 0.000 0.960 1.939) 2.163 19.517 ( 0.000 -2.627 4.160) 4.920 19.675 ( 0.000 -2.163 -6.022) 6.399 19.782 ( 0.000 -1.045 0.793) 1.311 20.140 ( 0.000 -0.415 -15.367) 15.373 20.773 ( 0.000 8.188 12.370) 14.835 21.037 ( 0.000 -10.380 4.420) 11.282 21.442 ( 0.000 -2.471 18.764) 18.926 22.361 ( 0.000 1.031 -1.958) 2.213 22.458 ( 0.000 1.164 2.070) 2.375 22.662 ( 0.000 0.179 0.799) 0.819 22.673 ( 0.000 0.485 0.083) 0.492 24.844 ( 0.000 4.627 -27.594) 27.979 25.388 ( 0.000 -0.485 -1.858) 1.921 25.663 ( 0.000 6.746 11.168) 13.048 26.146 ( 0.000 5.695 35.083) 35.542 27.411 ( 0.000 1.862 -15.394) 15.507 27.458 ( -0.000 2.976 -24.468) 24.648 27.975 ( 0.000 -4.948 8.107) 9.498 28.157 ( 0.000 -4.146 10.008) 10.833 28.584 ( 0.000 -0.644 1.368) 1.512 28.639 ( 0.000 -2.917 4.738) 5.564 29.107 ( 0.000 -3.822 -4.454) 5.869 29.203 ( 0.000 -4.024 -0.732) 4.090 30.752 ( 0.000 8.103 -22.449) 23.866 31.262 ( 0.000 10.792 -9.779) 14.564 31.612 ( 0.000 -5.750 11.066) 12.470 31.682 ( -0.000 -3.613 -7.803) 8.599 32.353 ( 0.000 -0.214 5.833) 5.837 32.492 ( 0.000 0.020 6.325) 6.325 33.328 ( 0.000 -2.576 -15.215) 15.431 33.382 ( 0.000 -2.414 -12.164) 12.401 37.656 ( -0.000 3.813 3.393) 5.104 37.694 ( 0.000 1.524 5.618) 5.821 37.820 ( -0.000 -6.657 -1.447) 6.812 38.304 ( 0.000 -4.601 17.201) 17.806 40.001 ( 0.000 0.856 -0.646) 1.072 40.086 ( 0.000 4.528 1.564) 4.791 40.146 ( 0.000 -0.754 0.397) 0.852 40.182 ( 0.000 -4.833 2.602) 5.489 41.133 ( 0.000 5.284 -2.161) 5.709 41.337 ( 0.000 3.640 7.222) 8.088 41.377 ( -0.000 -2.936 -4.842) 5.662 41.556 ( 0.000 -0.687 2.717) 2.802 42.830 ( 0.000 -1.464 -7.468) 7.610 43.391 ( 0.000 2.091 20.236) 20.344 45.557 ( 0.000 1.902 -13.221) 13.357 45.576 ( -0.000 2.725 -10.674) 11.017 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.884 ( 0.000 0.000 34.444) 34.444 1.996 ( 0.000 0.000 44.544) 44.544 2.588 ( 0.000 0.000 61.694) 61.694 3.477 ( 0.000 0.000 3.557) 3.557 3.871 ( 0.000 0.000 29.530) 29.530 4.015 ( 0.000 0.000 -9.532) 9.532 4.047 ( 0.000 0.000 -17.636) 17.636 4.559 ( 0.000 0.000 -38.433) 38.433 5.036 ( 0.000 0.000 10.421) 10.421 5.083 ( 0.000 0.000 -2.098) 2.098 5.412 ( 0.000 0.000 6.709) 6.709 5.511 ( 0.000 0.000 -0.139) 0.139 5.594 ( 0.000 0.000 6.868) 6.868 5.637 ( 0.000 0.000 -5.609) 5.609 6.354 ( 0.000 0.000 -12.846) 12.846 6.886 ( 0.000 0.000 -8.488) 8.488 7.067 ( 0.000 0.000 8.939) 8.939 7.204 ( 0.000 0.000 2.156) 2.156 7.235 ( 0.000 0.000 -7.063) 7.063 7.270 ( 0.000 0.000 18.052) 18.052 7.575 ( 0.000 0.000 12.216) 12.216 7.984 ( 0.000 0.000 -3.535) 3.535 8.209 ( 0.000 0.000 -1.098) 1.098 8.800 ( 0.000 0.000 -10.368) 10.368 9.007 ( 0.000 0.000 -17.089) 17.089 9.560 ( 0.000 0.000 -9.984) 9.984 9.588 ( 0.000 0.000 6.916) 6.916 9.756 ( 0.000 0.000 1.505) 1.505 10.093 ( 0.000 0.000 8.037) 8.037 10.160 ( 0.000 0.000 -3.083) 3.083 10.347 ( 0.000 0.000 0.453) 0.453 10.672 ( 0.000 0.000 -3.227) 3.227 11.562 ( 0.000 0.000 -0.737) 0.737 11.750 ( 0.000 0.000 -6.118) 6.118 11.785 ( 0.000 0.000 0.825) 0.825 11.803 ( 0.000 0.000 5.321) 5.321 12.695 ( 0.000 0.000 -1.144) 1.144 12.737 ( 0.000 0.000 4.171) 4.171 12.992 ( 0.000 0.000 -4.192) 4.192 13.124 ( 0.000 0.000 -8.252) 8.252 13.142 ( 0.000 0.000 3.548) 3.548 13.179 ( 0.000 0.000 5.199) 5.199 13.479 ( 0.000 0.000 -1.377) 1.377 13.532 ( 0.000 0.000 -0.639) 0.639 13.889 ( 0.000 0.000 4.636) 4.636 14.368 ( 0.000 0.000 -13.568) 13.568 14.475 ( 0.000 0.000 10.384) 10.384 15.097 ( 0.000 0.000 12.968) 12.968 15.232 ( 0.000 0.000 -13.712) 13.712 15.540 ( 0.000 0.000 -15.046) 15.046 15.765 ( 0.000 0.000 6.995) 6.995 15.864 ( 0.000 0.000 -13.938) 13.938 16.981 ( 0.000 0.000 -3.911) 3.911 17.817 ( 0.000 0.000 28.420) 28.420 17.950 ( 0.000 0.000 -5.883) 5.883 18.312 ( 0.000 0.000 16.260) 16.260 18.434 ( 0.000 0.000 3.947) 3.947 18.756 ( 0.000 0.000 0.066) 0.066 18.984 ( 0.000 0.000 -6.004) 6.004 19.228 ( 0.000 0.000 0.718) 0.718 19.318 ( 0.000 0.000 2.649) 2.649 19.412 ( 0.000 0.000 5.530) 5.530 19.440 ( 0.000 0.000 -3.395) 3.395 20.147 ( 0.000 0.000 -2.776) 2.776 20.335 ( 0.000 0.000 7.547) 7.547 21.002 ( 0.000 0.000 -9.952) 9.952 21.149 ( 0.000 0.000 -12.488) 12.488 21.424 ( 0.000 0.000 -35.435) 35.435 22.313 ( 0.000 0.000 3.582) 3.582 22.335 ( 0.000 0.000 7.161) 7.161 22.573 ( 0.000 0.000 -2.879) 2.879 22.674 ( 0.000 0.000 -1.134) 1.134 24.470 ( 0.000 0.000 31.547) 31.547 25.010 ( 0.000 0.000 -2.230) 2.230 25.332 ( 0.000 0.000 7.845) 7.845 26.250 ( 0.000 0.000 -15.462) 15.462 27.046 ( 0.000 0.000 28.775) 28.775 27.724 ( 0.000 0.000 4.511) 4.511 28.151 ( 0.000 0.000 -20.622) 20.622 28.565 ( 0.000 0.000 -6.415) 6.415 28.863 ( 0.000 0.000 -1.508) 1.508 28.900 ( 0.000 0.000 -1.065) 1.065 28.911 ( 0.000 0.000 -0.369) 0.369 29.363 ( 0.000 0.000 -1.941) 1.941 30.216 ( 0.000 0.000 -13.689) 13.689 30.898 ( 0.000 0.000 12.172) 12.172 31.395 ( 0.000 0.000 -17.291) 17.291 31.664 ( 0.000 0.000 1.745) 1.745 32.470 ( 0.000 0.000 3.348) 3.348 32.593 ( 0.000 0.000 -4.304) 4.304 32.969 ( 0.000 0.000 -6.156) 6.156 33.565 ( 0.000 0.000 -12.439) 12.439 37.908 ( 0.000 0.000 5.838) 5.838 38.025 ( 0.000 0.000 -0.233) 0.233 38.042 ( 0.000 0.000 11.887) 11.887 39.419 ( 0.000 0.000 -7.810) 7.810 39.739 ( 0.000 0.000 5.207) 5.207 40.032 ( 0.000 0.000 0.488) 0.488 40.093 ( 0.000 0.000 -0.241) 0.241 40.374 ( 0.000 0.000 0.291) 0.291 41.156 ( 0.000 0.000 4.919) 4.919 41.421 ( 0.000 0.000 2.408) 2.408 41.808 ( 0.000 0.000 3.238) 3.238 41.823 ( 0.000 0.000 -5.341) 5.341 42.850 ( 0.000 0.000 8.249) 8.249 44.131 ( 0.000 0.000 -3.502) 3.502 44.329 ( 0.000 0.000 -7.733) 7.733 44.442 ( 0.000 0.000 -11.794) 11.794 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.756 ( -6.686 0.000 44.569) 45.068 2.122 ( 11.804 0.000 37.578) 39.389 2.874 ( 20.937 0.000 36.291) 41.897 3.418 ( -10.608 0.000 -4.654) 11.584 3.769 ( -8.340 0.000 28.419) 29.617 3.773 ( -15.092 0.000 -12.798) 19.788 4.009 ( 0.198 0.000 -1.061) 1.080 4.778 ( 12.963 0.000 -26.874) 29.837 4.984 ( -3.390 0.000 6.453) 7.289 5.016 ( -4.488 0.000 -1.080) 4.616 5.371 ( -7.937 0.000 -3.061) 8.507 5.415 ( 0.221 0.000 4.732) 4.738 5.658 ( 3.934 0.000 2.933) 4.907 5.810 ( 7.860 0.000 -4.791) 9.205 6.249 ( -6.645 0.000 -13.000) 14.600 6.796 ( -7.242 0.000 -2.313) 7.603 6.977 ( -10.241 0.000 1.588) 10.363 7.079 ( -3.672 0.000 0.464) 3.701 7.324 ( 0.603 0.000 18.826) 18.835 7.464 ( 10.160 0.000 -0.804) 10.192 7.535 ( 11.054 0.000 23.867) 26.302 8.045 ( 4.962 0.000 -3.715) 6.198 8.375 ( 8.747 0.000 -9.087) 12.613 8.748 ( -4.494 0.000 -6.575) 7.964 9.051 ( 4.206 0.000 -16.999) 17.511 9.549 ( -1.185 0.000 -10.898) 10.962 9.606 ( 0.639 0.000 3.480) 3.538 9.745 ( -1.619 0.000 -0.168) 1.627 9.984 ( -5.671 0.000 5.873) 8.165 10.065 ( -7.453 0.000 0.666) 7.483 10.490 ( 9.718 0.000 2.588) 10.057 10.737 ( 4.911 0.000 -4.827) 6.886 11.516 ( -4.612 0.000 -2.414) 5.206 11.634 ( -8.069 0.000 5.372) 9.694 11.799 ( 4.849 0.000 -5.007) 6.970 11.933 ( 5.914 0.000 0.473) 5.933 12.688 ( -0.564 0.000 -1.540) 1.640 12.722 ( -1.271 0.000 3.008) 3.265 12.995 ( -0.285 0.000 -2.899) 2.913 13.083 ( -2.711 0.000 -1.000) 2.889 13.156 ( -1.172 0.000 3.226) 3.432 13.173 ( 1.527 0.000 -2.796) 3.186 13.501 ( 1.647 0.000 -2.234) 2.776 13.537 ( 0.207 0.000 -0.754) 0.782 13.880 ( -0.654 0.000 5.585) 5.623 14.182 ( -9.900 0.000 0.656) 9.922 14.633 ( 7.544 0.000 -4.107) 8.590 15.104 ( -4.981 0.000 -7.683) 9.156 15.263 ( 9.223 0.000 7.639) 11.976 15.539 ( 1.471 0.000 -14.416) 14.491 15.883 ( 9.142 0.000 8.321) 12.362 15.923 ( 4.886 0.000 -15.306) 16.067 16.920 ( -5.625 0.000 -2.334) 6.090 17.641 ( -22.975 0.000 -0.954) 22.994 17.809 ( 0.172 0.000 26.138) 26.139 18.288 ( -6.429 0.000 3.294) 7.223 18.523 ( 7.113 0.000 9.243) 11.663 18.834 ( 4.764 0.000 -1.594) 5.023 19.022 ( 3.708 0.000 -3.205) 4.901 19.193 ( -1.686 0.000 -2.473) 2.993 19.381 ( 4.497 0.000 -4.359) 6.263 19.425 ( 0.953 0.000 7.172) 7.235 19.509 ( 7.085 0.000 -0.064) 7.085 20.067 ( -5.750 0.000 -1.870) 6.047 20.348 ( -0.128 0.000 4.495) 4.496 20.851 ( -12.084 0.000 -10.988) 16.333 21.215 ( 6.050 0.000 -9.993) 11.682 21.484 ( 3.738 0.000 -28.194) 28.441 22.319 ( 0.564 0.000 3.987) 4.026 22.340 ( 0.439 0.000 6.634) 6.648 22.576 ( 0.346 0.000 -2.396) 2.421 22.686 ( 0.444 0.000 -1.011) 1.104 24.528 ( 5.357 0.000 27.446) 27.964 24.976 ( -3.218 0.000 -1.786) 3.680 25.398 ( 6.818 0.000 11.078) 13.008 26.345 ( 9.524 0.000 -15.337) 18.053 26.823 ( -18.603 0.000 27.544) 33.238 27.879 ( 12.177 0.000 6.440) 13.775 27.922 ( -18.614 0.000 -20.753) 27.878 28.672 ( 5.397 0.000 -3.203) 6.275 28.712 ( -6.827 0.000 2.125) 7.149 28.816 ( -5.016 0.000 0.841) 5.086 29.080 ( 9.677 0.000 -8.159) 12.657 29.450 ( 5.111 0.000 -6.234) 8.061 30.193 ( -1.532 0.000 -11.368) 11.471 30.757 ( -11.810 0.000 8.844) 14.754 31.480 ( 7.922 0.000 -15.960) 17.818 31.743 ( 6.022 0.000 4.989) 7.820 32.458 ( -1.119 0.000 3.759) 3.922 32.640 ( 2.193 0.000 -1.632) 2.733 32.926 ( -1.692 0.000 -13.282) 13.389 33.523 ( -4.145 0.000 -13.179) 13.816 37.850 ( -3.451 0.000 6.473) 7.336 37.965 ( -6.529 0.000 13.265) 14.785 38.142 ( 9.168 0.000 -0.391) 9.176 39.275 ( -13.124 0.000 -4.744) 13.955 39.775 ( 3.607 0.000 4.961) 6.133 40.035 ( 0.319 0.000 0.732) 0.799 40.096 ( 0.259 0.000 0.310) 0.404 40.355 ( -2.554 0.000 2.063) 3.283 41.131 ( -2.347 0.000 4.815) 5.357 41.276 ( -12.462 0.000 6.013) 13.836 41.708 ( -8.968 0.000 -0.244) 8.971 41.786 ( -2.151 0.000 3.493) 4.102 42.692 ( -0.827 0.000 19.239) 19.257 43.885 ( -16.410 0.000 -1.056) 16.444 44.549 ( 13.792 0.000 -9.750) 16.890 44.817 ( 21.716 0.000 -24.369) 32.641 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 10.821 0.000 25.818) 27.994 2.392 ( 10.662 0.000 11.174) 15.445 2.972 ( -24.669 0.000 -1.931) 24.744 3.131 ( -0.949 0.000 13.629) 13.662 3.674 ( 1.792 0.000 25.838) 25.900 3.684 ( 1.433 0.000 6.670) 6.822 4.079 ( 8.597 0.000 14.656) 16.992 4.732 ( -14.614 0.000 2.109) 14.766 4.959 ( 1.685 0.000 -3.619) 3.992 5.078 ( 3.374 0.000 -10.659) 11.180 5.302 ( 4.452 0.000 -9.689) 10.663 5.420 ( 0.330 0.000 -0.102) 0.345 5.684 ( -1.647 0.000 -3.434) 3.808 5.753 ( -10.365 0.000 -11.142) 15.218 6.282 ( 7.670 0.000 -3.104) 8.275 6.608 ( -10.579 0.000 0.472) 10.590 6.836 ( -3.123 0.000 3.823) 4.936 6.955 ( -5.679 0.000 5.850) 8.153 7.422 ( 7.625 0.000 13.136) 15.188 7.598 ( 2.715 0.000 6.498) 7.043 7.895 ( 19.933 0.000 21.299) 29.171 8.138 ( 3.901 0.000 -7.582) 8.527 8.449 ( -0.387 0.000 -8.677) 8.686 8.634 ( -7.220 0.000 5.291) 8.951 9.179 ( 8.516 0.000 -17.445) 19.412 9.498 ( -4.490 0.000 -13.260) 13.999 9.578 ( -2.461 0.000 -3.010) 3.888 9.671 ( -5.630 0.000 -6.753) 8.792 9.941 ( 0.247 0.000 6.092) 6.097 9.951 ( -2.712 0.000 8.015) 8.462 10.670 ( 8.095 0.000 1.570) 8.246 10.819 ( 2.493 0.000 -5.269) 5.829 11.407 ( -4.976 0.000 0.412) 4.993 11.479 ( -7.177 0.000 6.751) 9.853 11.916 ( 5.939 0.000 -4.847) 7.666 12.017 ( 2.093 0.000 -2.255) 3.076 12.679 ( -0.253 0.000 -1.565) 1.585 12.696 ( -1.197 0.000 0.846) 1.465 12.969 ( -1.484 0.000 -0.115) 1.488 13.020 ( -3.354 0.000 1.424) 3.643 13.169 ( 2.060 0.000 -1.543) 2.574 13.199 ( 1.041 0.000 -4.817) 4.928 13.525 ( 0.561 0.000 -2.071) 2.146 13.534 ( -0.401 0.000 -1.013) 1.090 13.879 ( 0.878 0.000 6.804) 6.860 14.022 ( -6.285 0.000 4.605) 7.792 14.746 ( 4.354 0.000 -8.753) 9.777 14.962 ( -7.401 0.000 -11.305) 13.512 15.523 ( 13.606 0.000 8.251) 15.912 15.615 ( 5.412 0.000 -14.569) 15.542 16.018 ( 4.084 0.000 -9.562) 10.397 16.046 ( 5.797 0.000 16.177) 17.184 16.803 ( -4.291 0.000 -3.322) 5.427 17.173 ( -22.135 0.000 -6.185) 22.983 17.851 ( 4.150 0.000 20.789) 21.199 18.130 ( -8.538 0.000 7.992) 11.695 18.619 ( 3.368 0.000 1.614) 3.735 18.823 ( -5.373 0.000 -0.664) 5.414 19.121 ( 5.393 0.000 -0.307) 5.402 19.217 ( 2.153 0.000 -10.814) 11.026 19.452 ( 2.556 0.000 -10.378) 10.688 19.453 ( 2.041 0.000 5.782) 6.132 19.698 ( 10.488 0.000 3.057) 10.924 19.973 ( -3.459 0.000 -0.236) 3.467 20.325 ( -0.973 0.000 1.925) 2.157 20.596 ( -12.634 0.000 -7.331) 14.607 21.358 ( 7.450 0.000 -7.961) 10.904 21.526 ( 0.145 0.000 -18.726) 18.727 22.332 ( 0.631 0.000 4.775) 4.817 22.346 ( 0.075 0.000 5.691) 5.692 22.592 ( 1.324 0.000 -1.118) 1.733 22.673 ( -1.715 0.000 0.088) 1.717 24.656 ( 6.855 0.000 17.063) 18.388 24.893 ( -4.870 0.000 0.693) 4.919 25.610 ( 14.427 0.000 18.895) 23.773 26.395 ( -21.873 0.000 25.467) 33.570 26.630 ( 17.449 0.000 -14.856) 22.916 27.498 ( -22.869 0.000 -20.823) 30.929 28.128 ( 12.012 0.000 6.688) 13.748 28.537 ( -8.774 0.000 5.988) 10.623 28.766 ( -0.088 0.000 -2.368) 2.369 28.776 ( 2.504 0.000 -5.003) 5.595 29.266 ( 8.640 0.000 -11.011) 13.996 29.492 ( -1.145 0.000 -7.779) 7.863 30.192 ( 2.202 0.000 -6.380) 6.749 30.505 ( -12.277 0.000 3.122) 12.668 31.672 ( 10.124 0.000 -11.354) 15.212 31.844 ( 3.166 0.000 5.444) 6.297 32.434 ( -0.878 0.000 4.222) 4.312 32.573 ( -7.287 0.000 1.891) 7.529 33.016 ( 9.389 0.000 -21.259) 23.240 33.403 ( -7.759 0.000 -15.399) 17.244 37.797 ( -1.701 0.000 8.795) 8.959 37.842 ( -4.773 0.000 13.569) 14.384 38.362 ( 12.698 0.000 -1.154) 12.751 38.965 ( -16.591 0.000 -1.427) 16.653 39.876 ( 6.237 0.000 4.052) 7.438 40.039 ( -0.333 0.000 1.026) 1.078 40.105 ( 0.803 0.000 1.988) 2.144 40.261 ( -6.435 0.000 4.808) 8.032 41.066 ( -6.280 0.000 8.412) 10.498 41.072 ( -3.218 0.000 4.901) 5.863 41.609 ( -0.639 0.000 3.069) 3.135 41.726 ( -3.752 0.000 3.888) 5.403 42.861 ( 14.240 0.000 14.011) 19.977 43.541 ( -17.764 0.000 3.353) 18.077 44.812 ( 12.116 0.000 -13.154) 17.884 45.064 ( 3.492 0.000 -22.903) 23.168 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( -13.752 0.000 -11.514) 17.936 2.168 ( 13.752 0.000 -11.514) 17.936 2.928 ( -7.288 0.000 26.750) 27.725 2.928 ( 7.288 0.000 26.750) 27.725 3.714 ( -0.003 0.000 12.252) 12.252 3.714 ( 0.003 0.000 12.252) 12.252 4.374 ( -18.830 0.000 14.444) 23.732 4.374 ( 18.830 0.000 14.444) 23.732 5.040 ( -4.779 0.000 -9.594) 10.718 5.040 ( 4.779 0.000 -9.594) 10.718 5.422 ( -0.380 0.000 -5.499) 5.512 5.422 ( 0.380 0.000 -5.499) 5.512 5.625 ( -0.040 0.000 -9.785) 9.785 5.625 ( 0.040 0.000 -9.785) 9.785 6.428 ( -5.346 0.000 1.142) 5.467 6.428 ( 5.346 0.000 1.142) 5.467 6.856 ( -4.065 0.000 4.858) 6.334 6.856 ( 4.065 0.000 4.858) 6.334 7.565 ( -1.450 0.000 11.605) 11.695 7.565 ( 1.450 0.000 11.605) 11.695 8.171 ( -2.242 0.000 -2.742) 3.542 8.171 ( 2.242 0.000 -2.742) 3.542 8.471 ( -5.185 0.000 8.996) 10.384 8.471 ( 5.185 0.000 8.996) 10.384 9.362 ( -8.766 0.000 -15.353) 17.679 9.362 ( 8.766 0.000 -15.353) 17.679 9.573 ( -1.010 0.000 -8.379) 8.439 9.573 ( 1.010 0.000 -8.379) 8.439 9.941 ( -0.068 0.000 8.694) 8.695 9.941 ( 0.068 0.000 8.694) 8.695 10.803 ( -2.304 0.000 -3.119) 3.878 10.803 ( 2.304 0.000 -3.119) 3.878 11.374 ( -0.272 0.000 5.463) 5.469 11.374 ( 0.272 0.000 5.463) 5.469 12.009 ( -2.323 0.000 -4.002) 4.627 12.009 ( 2.323 0.000 -4.002) 4.627 12.679 ( -0.007 0.000 -0.694) 0.694 12.679 ( 0.007 0.000 -0.694) 0.694 12.967 ( -0.761 0.000 1.083) 1.323 12.967 ( 0.761 0.000 1.083) 1.323 13.204 ( -0.055 0.000 -4.655) 4.655 13.204 ( 0.055 0.000 -4.655) 4.655 13.529 ( -0.000 0.000 -1.092) 1.092 13.529 ( 0.000 0.000 -1.092) 1.092 13.923 ( -0.701 0.000 6.521) 6.559 13.923 ( 0.701 0.000 6.521) 6.559 14.835 ( -1.201 0.000 -10.631) 10.698 14.835 ( 1.201 0.000 -10.631) 10.698 15.685 ( -0.094 0.000 -9.119) 9.120 15.685 ( 0.094 0.000 -9.119) 9.120 16.083 ( -1.134 0.000 16.314) 16.353 16.083 ( 1.134 0.000 16.314) 16.353 16.837 ( -8.640 0.000 -11.276) 14.205 16.837 ( 8.640 0.000 -11.276) 14.205 17.968 ( -4.120 0.000 14.497) 15.071 17.968 ( 4.120 0.000 14.497) 15.071 18.702 ( -4.462 0.000 -0.855) 4.543 18.702 ( 4.462 0.000 -0.855) 4.543 19.208 ( -1.545 0.000 -4.694) 4.941 19.208 ( 1.545 0.000 -4.694) 4.941 19.481 ( -0.000 0.000 -6.659) 6.659 19.481 ( 0.000 0.000 -6.659) 6.659 19.882 ( -7.021 0.000 2.503) 7.454 19.882 ( 7.021 0.000 2.503) 7.454 20.381 ( -2.781 0.000 -1.483) 3.151 20.381 ( 2.781 0.000 -1.483) 3.151 21.483 ( -3.325 0.000 -11.181) 11.665 21.483 ( 3.325 0.000 -11.181) 11.665 22.342 ( -0.056 0.000 5.222) 5.222 22.342 ( 0.056 0.000 5.222) 5.222 22.629 ( -2.118 0.000 0.123) 2.122 22.629 ( 2.118 0.000 0.123) 2.122 24.785 ( -0.976 0.000 6.803) 6.873 24.785 ( 0.976 0.000 6.803) 6.873 25.963 ( -11.709 0.000 25.163) 27.754 25.963 ( 11.709 0.000 25.163) 27.754 27.039 ( -20.693 0.000 -19.230) 28.249 27.039 ( 20.693 0.000 -19.230) 28.249 28.349 ( -8.472 0.000 6.461) 10.655 28.349 ( 8.472 0.000 6.461) 10.655 28.785 ( -0.162 0.000 -5.519) 5.521 28.785 ( 0.162 0.000 -5.519) 5.521 29.415 ( -5.983 0.000 -8.909) 10.732 29.415 ( 5.983 0.000 -8.909) 10.732 30.296 ( -2.229 0.000 -1.809) 2.871 30.296 ( 2.229 0.000 -1.809) 2.871 31.834 ( -3.558 0.000 -2.373) 4.277 31.834 ( 3.558 0.000 -2.373) 4.277 32.452 ( -2.370 0.000 2.603) 3.521 32.452 ( 2.370 0.000 2.603) 3.521 33.221 ( -9.648 0.000 -18.713) 21.053 33.221 ( 9.648 0.000 -18.713) 21.053 37.787 ( -0.640 0.000 11.435) 11.453 37.787 ( 0.640 0.000 11.435) 11.453 38.643 ( -7.384 0.000 -1.167) 7.476 38.643 ( 7.384 0.000 -1.167) 7.476 39.997 ( -3.182 0.000 1.738) 3.626 39.997 ( 3.182 0.000 1.738) 3.626 40.144 ( -1.515 0.000 4.932) 5.159 40.144 ( 1.515 0.000 4.932) 5.159 41.023 ( -0.095 0.000 6.090) 6.090 41.023 ( 0.095 0.000 6.090) 6.090 41.648 ( -2.197 0.000 3.787) 4.378 41.648 ( 2.197 0.000 3.787) 4.378 43.186 ( -10.618 0.000 8.380) 13.527 43.186 ( 10.618 0.000 8.380) 13.527 45.013 ( -7.306 0.000 -17.410) 18.881 45.013 ( 7.306 0.000 -17.410) 18.881 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.801 ( 0.000 1.803 38.082) 38.125 2.021 ( 0.000 13.330 29.938) 32.771 3.164 ( 0.000 37.003 43.120) 56.821 3.468 ( 0.000 -1.062 4.768) 4.885 3.758 ( 0.000 -12.790 -9.911) 16.181 3.849 ( 0.000 -1.625 25.833) 25.884 4.273 ( 0.000 9.389 -10.257) 13.906 4.577 ( 0.000 1.214 -26.948) 26.976 4.878 ( 0.000 -9.457 1.305) 9.547 5.201 ( 0.000 6.803 0.923) 6.866 5.413 ( 0.000 -0.133 -0.338) 0.363 5.532 ( 0.000 -1.537 4.777) 5.018 5.618 ( 0.000 -1.802 -5.578) 5.862 5.686 ( 0.000 12.886 3.334) 13.310 6.255 ( 0.000 -8.852 -9.953) 13.321 6.786 ( 0.000 -8.631 -10.079) 13.270 6.998 ( 0.000 -8.161 15.426) 17.452 7.112 ( 0.000 -6.385 6.648) 9.218 7.178 ( 0.000 0.033 5.186) 5.186 7.510 ( 0.000 13.701 1.943) 13.838 7.560 ( 0.000 4.334 5.306) 6.851 8.054 ( 0.000 -13.607 -6.040) 14.887 8.091 ( 0.000 7.236 -2.668) 7.712 8.736 ( 0.000 -5.493 -7.397) 9.213 8.993 ( 0.000 -0.464 -14.626) 14.633 9.509 ( 0.000 -5.319 2.361) 5.819 9.656 ( 0.000 5.859 -2.289) 6.290 9.732 ( 0.000 -0.447 -0.327) 0.554 10.085 ( 0.000 -0.765 7.991) 8.027 10.239 ( 0.000 5.632 1.431) 5.811 10.321 ( 0.000 -2.394 1.312) 2.730 10.659 ( 0.000 -1.586 -2.648) 3.087 11.491 ( 0.000 -7.355 0.521) 7.374 11.639 ( 0.000 -6.244 -3.066) 6.956 11.754 ( 0.000 -2.134 1.878) 2.843 11.939 ( 0.000 8.021 0.931) 8.075 12.417 ( 0.000 -20.549 4.543) 21.046 12.521 ( 0.000 -11.379 -2.690) 11.693 13.053 ( 0.000 -5.936 -2.159) 6.317 13.056 ( 0.000 -3.641 4.267) 5.609 13.173 ( 0.000 4.071 -3.435) 5.326 13.372 ( 0.000 12.383 -0.881) 12.414 13.574 ( 0.000 8.001 -0.346) 8.008 13.701 ( 0.000 14.892 -4.424) 15.536 13.990 ( 0.000 7.270 2.176) 7.589 14.331 ( 0.000 -2.285 -6.214) 6.621 14.527 ( 0.000 5.200 8.420) 9.896 15.130 ( 0.000 1.267 4.929) 5.089 15.201 ( 0.000 -3.604 -9.494) 10.155 15.611 ( 0.000 7.953 -18.100) 19.770 15.729 ( 0.000 -1.806 4.023) 4.410 15.852 ( 0.000 -1.969 -10.159) 10.348 17.002 ( 0.000 2.475 -2.929) 3.835 17.864 ( 0.000 1.506 23.404) 23.453 17.936 ( 0.000 0.552 -2.406) 2.468 18.313 ( 0.000 -0.110 8.923) 8.924 18.439 ( 0.000 0.536 2.442) 2.500 18.660 ( 0.000 -7.283 4.785) 8.714 19.077 ( 0.000 6.577 -4.311) 7.864 19.203 ( 0.000 -1.950 2.588) 3.240 19.333 ( 0.000 1.202 1.910) 2.257 19.369 ( 0.000 -0.351 0.051) 0.355 19.499 ( 0.000 2.507 1.284) 2.817 20.110 ( 0.000 -3.664 -2.788) 4.604 20.322 ( 0.000 -1.113 7.416) 7.499 20.770 ( 0.000 -15.792 -5.816) 16.829 21.249 ( 0.000 3.796 -10.999) 11.635 21.402 ( 0.000 -2.787 -27.289) 27.431 22.327 ( 0.000 1.513 2.905) 3.275 22.332 ( 0.000 -0.106 6.000) 6.001 22.605 ( 0.000 2.383 -3.959) 4.621 22.678 ( 0.000 0.288 -0.692) 0.750 24.449 ( 0.000 2.363 15.616) 15.794 25.219 ( 0.000 16.530 5.251) 17.344 25.410 ( 0.000 6.941 4.206) 8.116 26.180 ( 0.000 -7.066 -15.609) 17.134 27.088 ( 0.000 4.483 27.190) 27.557 27.667 ( 0.000 -4.445 6.809) 8.132 28.145 ( 0.000 -0.703 -19.123) 19.136 28.450 ( 0.000 -11.876 -0.570) 11.890 28.759 ( 0.000 -6.627 -2.049) 6.937 28.912 ( 0.000 0.305 -1.571) 1.601 28.964 ( 0.000 2.886 0.939) 3.035 29.316 ( 0.000 -3.089 -4.661) 5.592 30.192 ( 0.000 -1.601 -8.755) 8.900 31.027 ( 0.000 12.179 7.135) 14.115 31.334 ( 0.000 -6.118 -16.930) 18.002 31.678 ( 0.000 1.083 0.023) 1.083 32.517 ( 0.000 3.983 -0.354) 3.999 32.590 ( 0.000 -0.151 -4.306) 4.309 32.962 ( 0.000 -0.584 -3.981) 4.024 33.508 ( 0.000 -5.672 -11.329) 12.669 37.851 ( 0.000 -5.151 7.997) 9.512 37.911 ( 0.000 -6.473 5.799) 8.691 38.123 ( 0.000 3.457 6.421) 7.292 39.083 ( 0.000 -26.260 6.042) 26.946 39.771 ( 0.000 3.153 4.213) 5.262 40.050 ( 0.000 1.815 0.949) 2.048 40.094 ( 0.000 -0.233 -4.192) 4.198 40.387 ( 0.000 0.834 1.328) 1.568 41.056 ( 0.000 -7.505 9.518) 12.121 41.377 ( 0.000 -4.333 2.030) 4.785 41.784 ( 0.000 -2.283 -2.431) 3.335 41.811 ( 0.000 0.232 3.663) 3.671 42.756 ( 0.000 0.053 11.605) 11.605 44.037 ( 0.000 -17.049 -7.421) 18.594 44.694 ( 0.000 36.694 -24.377) 44.053 44.733 ( 0.000 16.712 -12.014) 20.582 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -1.265 7.349 38.922) 39.630 2.242 ( 15.345 11.640 26.886) 33.073 3.068 ( -7.620 11.035 9.733) 16.570 3.429 ( -6.838 1.070 7.090) 9.908 3.690 ( -4.503 -3.534 -1.191) 5.846 3.944 ( 8.219 13.150 29.942) 33.719 4.082 ( -10.947 6.047 -5.630) 13.715 4.711 ( 4.893 -6.862 -14.394) 16.679 4.907 ( 4.248 -2.804 -6.305) 8.103 5.128 ( -4.310 7.386 -0.946) 8.604 5.367 ( -3.575 -2.683 5.748) 7.281 5.477 ( -4.345 6.327 -4.176) 8.737 5.649 ( 3.115 0.404 2.820) 4.221 5.839 ( 8.096 3.346 -4.909) 10.042 6.217 ( -2.271 -3.204 -11.047) 11.724 6.615 ( -9.694 -11.434 -5.020) 15.809 6.984 ( -4.879 -6.987 10.259) 13.337 7.084 ( -5.796 -3.599 8.766) 11.108 7.229 ( 5.511 4.919 4.645) 8.726 7.435 ( 2.290 -2.843 13.023) 13.525 7.755 ( 11.481 14.506 4.705) 19.088 7.989 ( -0.109 -8.080 -7.960) 11.342 8.300 ( 11.132 -2.447 -5.460) 12.638 8.733 ( -0.436 -2.706 -6.568) 7.117 9.014 ( 1.964 -2.108 -13.454) 13.759 9.482 ( -2.944 -7.075 -0.775) 7.703 9.640 ( -1.589 2.920 -3.174) 4.596 9.746 ( 1.159 2.320 -0.624) 2.668 10.014 ( -3.517 0.995 7.203) 8.077 10.120 ( -6.356 4.256 1.300) 7.759 10.493 ( 9.218 0.183 2.906) 9.667 10.723 ( 5.485 -1.162 -2.731) 6.236 11.411 ( -6.946 -6.358 -0.999) 9.470 11.606 ( -3.513 -6.411 3.714) 8.200 11.787 ( 3.580 -1.023 -2.491) 4.479 11.977 ( 2.794 3.989 0.109) 4.871 12.402 ( -0.922 -17.858 2.732) 18.090 12.549 ( 2.208 -13.764 -1.404) 14.010 12.953 ( -5.449 -4.851 -2.838) 7.828 13.058 ( -2.263 -4.041 2.913) 5.471 13.226 ( 3.589 2.828 -1.826) 4.920 13.351 ( -1.678 11.978 -1.098) 12.145 13.572 ( -0.221 9.666 -0.431) 9.678 13.722 ( 1.524 13.422 -3.560) 13.969 13.957 ( -3.421 5.796 2.110) 7.053 14.228 ( -5.862 4.024 1.991) 7.384 14.583 ( 2.777 -2.175 -1.570) 3.861 15.139 ( -2.101 1.550 -8.461) 8.855 15.253 ( 6.743 -3.138 6.338) 9.772 15.585 ( 0.745 5.438 -16.320) 17.218 15.812 ( 7.172 -2.136 3.172) 8.128 15.973 ( 9.387 1.735 -9.428) 13.417 16.947 ( -5.356 2.718 -2.425) 6.477 17.650 ( -19.748 0.602 -0.545) 19.765 17.833 ( -4.086 2.035 22.099) 22.565 18.300 ( -6.965 1.080 4.481) 8.352 18.474 ( 7.090 -4.475 4.990) 9.757 18.805 ( 8.798 -2.622 2.231) 9.447 19.074 ( 0.449 3.297 -3.145) 4.579 19.171 ( -2.200 -1.167 -0.216) 2.499 19.341 ( 1.872 -2.519 -1.377) 3.427 19.421 ( 2.244 0.654 -0.247) 2.350 19.562 ( 6.488 3.069 2.184) 7.502 20.049 ( -4.653 -1.835 -1.189) 5.141 20.292 ( -3.134 -5.981 2.669) 7.261 20.737 ( -4.138 -8.016 -4.433) 10.052 21.226 ( 1.972 -0.317 -9.552) 9.759 21.497 ( 5.446 0.508 -21.635) 22.315 22.318 ( -0.097 0.191 4.756) 4.760 22.356 ( 1.425 1.443 3.792) 4.300 22.598 ( -0.313 1.811 -2.923) 3.452 22.690 ( 0.436 0.370 -0.580) 0.814 24.481 ( 2.486 -0.384 11.619) 11.888 25.199 ( -1.164 17.344 6.814) 18.671 25.452 ( 4.076 4.935 7.426) 9.804 26.293 ( 10.934 -5.210 -15.899) 19.987 26.868 ( -17.740 4.993 27.773) 33.331 27.737 ( -1.924 -7.478 -5.102) 9.254 28.019 ( -2.786 2.958 -5.903) 7.166 28.546 ( 4.609 -10.087 -0.808) 11.120 28.656 ( -5.603 -3.862 1.052) 6.886 28.921 ( -1.841 6.086 -0.805) 6.409 29.062 ( 8.951 -1.995 -5.922) 10.917 29.340 ( 1.546 -8.305 -5.853) 10.277 30.172 ( -1.774 -1.050 -9.088) 9.319 30.904 ( -10.158 12.968 4.424) 17.056 31.419 ( 7.834 -6.190 -15.438) 18.385 31.753 ( 5.727 0.898 3.121) 6.583 32.482 ( -2.156 2.093 1.517) 3.366 32.638 ( 1.743 -0.153 -1.798) 2.509 32.931 ( -1.000 0.525 -10.762) 10.821 33.470 ( -3.794 -5.284 -12.152) 13.784 37.802 ( -2.804 -4.048 8.869) 10.144 37.928 ( -1.734 -4.163 9.204) 10.249 38.126 ( 2.488 -0.872 3.240) 4.177 39.013 ( -6.376 -20.575 4.901) 22.090 39.806 ( 3.437 2.939 4.136) 6.128 40.038 ( -0.134 1.075 0.231) 1.108 40.120 ( 1.428 1.055 -1.895) 2.597 40.365 ( -2.458 0.722 1.915) 3.199 41.021 ( -2.936 -6.338 9.284) 11.618 41.340 ( -3.357 0.944 2.274) 4.163 41.681 ( -8.937 -0.637 0.429) 8.970 41.785 ( -2.824 -0.402 2.988) 4.131 42.710 ( 0.946 3.219 13.512) 13.922 43.869 ( -12.898 -5.011 -0.701) 13.855 44.732 ( 6.834 16.238 -13.844) 22.406 44.984 ( 13.316 14.318 -25.623) 32.232 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 4.102 2.228 19.609) 20.157 2.512 ( 9.456 12.844 9.661) 18.647 2.917 ( -7.517 0.126 -8.164) 11.098 3.199 ( -10.673 3.909 10.697) 15.609 3.599 ( -4.780 0.171 8.742) 9.965 3.935 ( -3.422 3.937 6.135) 8.053 4.188 ( 14.158 15.975 25.488) 33.246 4.688 ( -5.795 -4.346 -2.842) 7.782 4.973 ( 1.421 -0.715 -5.551) 5.774 5.111 ( -0.476 6.570 0.133) 6.588 5.307 ( -0.965 -0.230 -6.336) 6.413 5.427 ( 1.465 1.234 -0.649) 2.022 5.640 ( -6.293 -0.122 -4.721) 7.868 5.887 ( 0.544 8.752 -9.068) 12.614 6.266 ( 5.215 -1.413 -4.933) 7.316 6.485 ( -3.807 -8.744 -2.010) 9.747 6.870 ( -6.873 -7.245 7.007) 12.199 6.945 ( -4.358 6.875 9.625) 12.605 7.309 ( 4.030 -3.861 6.025) 8.213 7.576 ( 5.720 -10.880 13.272) 18.090 7.931 ( 5.282 -2.152 3.135) 6.508 8.035 ( 5.218 2.306 -0.781) 5.757 8.479 ( 6.727 2.537 -2.323) 7.556 8.695 ( -4.064 2.161 -1.427) 4.819 9.079 ( 5.359 -6.748 -13.619) 16.117 9.395 ( -5.959 -8.789 -9.067) 13.963 9.610 ( -0.619 1.704 -4.359) 4.721 9.759 ( -0.299 7.000 -2.715) 7.514 9.986 ( -1.190 3.277 8.211) 8.921 10.023 ( -1.721 5.963 4.006) 7.387 10.641 ( 5.845 -2.584 1.186) 6.500 10.828 ( 3.642 0.879 -1.867) 4.186 11.261 ( -6.705 -5.938 0.193) 8.958 11.522 ( -4.130 -3.591 7.925) 9.631 11.878 ( 4.941 -3.181 -3.939) 7.074 12.012 ( 0.111 -0.860 -2.218) 2.381 12.392 ( -0.046 -15.000 0.854) 15.024 12.589 ( 1.437 -14.558 -0.354) 14.633 12.872 ( -2.111 -6.768 -4.619) 8.461 12.996 ( -3.441 -4.721 3.301) 6.710 13.274 ( 0.862 1.320 -3.609) 3.939 13.329 ( -0.177 14.111 2.686) 14.365 13.565 ( -0.309 11.876 -3.449) 12.371 13.748 ( 1.071 10.591 -2.162) 10.863 13.873 ( -4.034 2.290 3.417) 5.762 14.158 ( -1.621 10.117 6.042) 11.895 14.615 ( 0.728 -8.217 -9.938) 12.916 15.061 ( -4.297 5.164 -8.951) 11.192 15.414 ( 7.897 -9.027 7.086) 13.931 15.664 ( 4.946 3.027 -14.795) 15.891 15.983 ( 9.749 1.241 7.107) 12.128 16.150 ( 6.679 6.492 -0.917) 9.359 16.825 ( -4.820 1.878 -5.316) 7.417 17.228 ( -20.913 5.365 -6.311) 22.494 17.797 ( 0.831 -5.039 18.363) 19.060 18.144 ( -8.048 1.103 9.753) 12.693 18.586 ( 4.671 -3.327 1.257) 5.871 18.854 ( -4.446 2.546 -0.087) 5.124 19.110 ( 3.844 -2.000 -0.738) 4.396 19.204 ( 4.101 -0.610 -6.611) 7.804 19.367 ( 0.128 -4.623 -0.364) 4.639 19.455 ( 1.886 -1.472 -7.439) 7.815 19.719 ( 8.162 0.887 2.211) 8.502 19.969 ( -3.432 -0.637 0.670) 3.554 20.214 ( -3.660 -9.870 0.021) 10.527 20.624 ( -5.846 3.090 -1.823) 6.859 21.336 ( 7.252 -2.396 -5.256) 9.271 21.560 ( 0.519 2.567 -15.236) 15.460 22.321 ( 0.273 -0.174 5.028) 5.038 22.379 ( 0.786 2.382 2.989) 3.902 22.603 ( 0.919 1.091 -1.380) 1.985 22.678 ( -1.592 0.593 0.383) 1.742 24.520 ( 1.171 -5.967 3.305) 6.921 25.193 ( 0.367 21.115 9.344) 23.093 25.578 ( 8.305 -2.625 15.046) 17.385 26.465 ( -13.814 6.087 22.135) 26.792 26.623 ( 14.402 0.284 -11.390) 18.364 27.467 ( -19.491 -2.688 -18.734) 27.167 28.146 ( 9.700 0.623 6.184) 11.521 28.509 ( -5.949 -2.989 4.785) 8.199 28.650 ( 3.075 -6.051 -1.730) 7.004 28.878 ( -2.722 4.738 -4.315) 6.963 29.229 ( 6.966 -3.900 -8.555) 11.702 29.359 ( 0.312 -11.020 -5.883) 12.496 30.135 ( -1.591 -1.535 -8.986) 9.254 30.704 ( -8.433 15.054 1.165) 17.294 31.609 ( 10.080 -6.278 -11.592) 16.595 31.845 ( 2.489 -0.033 3.744) 4.496 32.447 ( -1.141 1.358 3.646) 4.055 32.585 ( -5.719 1.031 2.673) 6.396 33.006 ( 7.795 -0.829 -19.368) 20.894 33.360 ( -7.075 -4.244 -14.418) 16.612 37.765 ( -0.670 -2.419 10.469) 10.766 37.851 ( -4.338 0.201 10.974) 11.802 38.229 ( 6.269 -10.951 0.980) 12.656 38.862 ( -7.690 -9.140 1.996) 12.110 39.901 ( 5.705 2.183 3.744) 7.165 40.050 ( 1.017 1.017 1.696) 2.224 40.128 ( -0.959 1.800 0.736) 2.168 40.289 ( -4.538 1.979 2.148) 5.396 40.972 ( -1.318 -2.719 7.459) 8.048 41.239 ( -6.266 8.931 4.428) 11.775 41.558 ( -1.467 -3.988 2.843) 5.113 41.715 ( -3.902 -1.244 2.950) 5.047 42.843 ( 10.109 -1.564 9.364) 13.868 43.599 ( -13.167 4.643 7.128) 15.676 44.902 ( 9.180 8.290 -14.986) 19.431 45.130 ( 1.268 5.984 -22.798) 23.604 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 0.000 -11.972 -11.205) 16.398 2.554 ( 0.000 20.006 -12.932) 23.822 2.853 ( 0.000 6.681 19.977) 21.065 3.108 ( 0.000 6.130 19.338) 20.286 3.534 ( 0.000 -5.243 6.626) 8.449 3.906 ( 0.000 2.389 9.967) 10.249 4.429 ( -0.000 1.574 0.217) 1.589 4.530 ( 0.000 14.895 21.525) 26.176 5.011 ( 0.000 -2.233 -7.450) 7.777 5.073 ( 0.000 6.093 2.280) 6.505 5.310 ( 0.000 -5.315 -7.678) 9.339 5.498 ( 0.000 -1.620 -4.580) 4.858 5.505 ( 0.000 4.037 -5.113) 6.514 5.906 ( 0.000 14.873 -11.608) 18.867 6.323 ( 0.000 -6.205 -2.673) 6.756 6.439 ( 0.000 -2.149 1.774) 2.787 6.803 ( 0.000 -6.956 6.019) 9.198 6.898 ( 0.000 7.287 8.592) 11.266 7.367 ( 0.000 -10.317 4.155) 11.123 7.612 ( 0.000 -9.642 14.344) 17.283 7.975 ( 0.000 -10.393 -14.809) 18.092 8.126 ( 0.000 3.258 18.406) 18.692 8.582 ( -0.000 7.473 -8.047) 10.982 8.595 ( 0.000 4.176 10.975) 11.743 9.232 ( 0.000 -8.678 -10.284) 13.456 9.239 ( -0.000 -9.066 -16.681) 18.986 9.616 ( 0.000 3.187 -7.321) 7.985 9.744 ( 0.000 9.430 -2.633) 9.791 9.967 ( 0.000 4.512 7.013) 8.339 10.021 ( 0.000 5.446 8.663) 10.233 10.715 ( 0.000 -4.997 -2.602) 5.633 10.850 ( 0.000 1.071 -0.073) 1.073 11.192 ( 0.000 -4.993 1.727) 5.283 11.473 ( 0.000 -1.907 9.478) 9.668 11.954 ( 0.000 -4.093 -3.647) 5.482 11.988 ( 0.000 -3.337 -3.724) 5.000 12.394 ( 0.000 -13.521 0.287) 13.525 12.602 ( 0.000 -13.656 -0.463) 13.664 12.861 ( 0.000 -8.969 -5.514) 10.528 12.950 ( 0.000 -5.197 4.243) 6.709 13.277 ( 0.000 1.442 -4.825) 5.036 13.330 ( 0.000 15.088 4.916) 15.869 13.564 ( 0.000 12.681 -6.067) 14.058 13.763 ( 0.000 9.207 -3.246) 9.762 13.824 ( 0.000 0.649 6.308) 6.341 14.144 ( 0.000 12.498 7.117) 14.382 14.621 ( 0.000 -10.190 -13.174) 16.655 15.012 ( 0.000 5.791 -7.687) 9.624 15.508 ( 0.000 -11.148 4.186) 11.908 15.715 ( 0.000 0.111 -15.444) 15.445 16.150 ( 0.000 3.209 22.595) 22.822 16.177 ( -0.000 10.235 1.861) 10.402 16.842 ( 0.000 2.396 -19.044) 19.194 16.916 ( -0.000 5.566 -5.732) 7.990 17.830 ( 0.000 -8.559 13.092) 15.642 18.036 ( 0.000 1.853 14.879) 14.994 18.663 ( -0.000 -3.208 -0.815) 3.310 18.761 ( 0.000 4.326 0.471) 4.351 19.161 ( 0.000 -2.658 -4.251) 5.013 19.251 ( 0.000 2.089 -2.979) 3.638 19.361 ( 0.000 -7.061 -2.469) 7.480 19.482 ( 0.000 -3.010 -12.318) 12.681 19.869 ( 0.000 -1.888 2.143) 2.856 19.874 ( -0.000 -1.087 1.525) 1.872 20.179 ( 0.000 -10.422 0.158) 10.423 20.555 ( 0.000 8.593 0.789) 8.629 21.438 ( 0.000 -3.406 -5.612) 6.564 21.541 ( 0.000 4.095 -10.920) 11.662 22.325 ( 0.000 -0.263 5.079) 5.086 22.387 ( 0.000 2.818 2.713) 3.912 22.627 ( 0.000 0.384 -0.337) 0.511 22.644 ( -0.000 1.162 0.520) 1.273 24.530 ( 0.000 -8.586 -0.696) 8.614 25.199 ( 0.000 23.164 9.980) 25.222 25.703 ( 0.000 -11.537 19.237) 22.431 26.252 ( 0.000 15.231 29.036) 32.788 26.953 ( 0.000 -3.553 -24.406) 24.663 27.114 ( -0.000 2.516 -14.253) 14.473 28.289 ( 0.000 -3.280 5.741) 6.612 28.407 ( 0.000 1.731 6.359) 6.590 28.698 ( 0.000 -4.998 -2.695) 5.679 28.833 ( 0.000 1.412 -6.651) 6.799 29.311 ( 0.000 -9.426 -2.737) 9.815 29.355 ( 0.000 -5.570 -10.847) 12.194 30.118 ( 0.000 -2.874 -8.677) 9.140 30.613 ( 0.000 16.622 -0.130) 16.623 31.747 ( 0.000 -6.876 -8.088) 10.616 31.846 ( -0.000 -0.529 0.818) 0.974 32.442 ( 0.000 0.934 4.478) 4.575 32.505 ( 0.000 3.224 2.474) 4.064 33.158 ( 0.000 -4.313 -18.413) 18.912 33.221 ( 0.000 -1.668 -16.866) 16.948 37.771 ( 0.000 -1.242 11.327) 11.394 37.793 ( 0.000 0.438 10.514) 10.523 38.309 ( 0.000 -17.640 1.175) 17.679 38.768 ( 0.000 -1.085 0.020) 1.085 39.992 ( 0.000 1.430 1.650) 2.183 40.061 ( 0.000 -0.304 4.289) 4.300 40.091 ( 0.000 2.770 3.657) 4.588 40.234 ( 0.000 3.992 0.560) 4.031 40.966 ( 0.000 -0.640 5.648) 5.684 41.161 ( 0.000 8.690 5.934) 10.522 41.570 ( 0.000 -5.348 3.530) 6.407 41.658 ( 0.000 -0.993 2.567) 2.752 42.988 ( 0.000 -8.909 3.604) 9.610 43.427 ( 0.000 12.695 13.535) 18.557 45.058 ( 0.000 4.122 -20.270) 20.685 45.076 ( -0.000 5.940 -16.021) 17.086 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.198 ( 0.000 32.926 13.176) 35.464 2.356 ( 0.000 19.613 19.153) 27.414 3.416 ( 0.000 -11.088 3.973) 11.778 3.426 ( 0.000 -3.466 7.240) 8.027 3.835 ( 0.000 0.646 24.373) 24.382 3.892 ( 0.000 25.555 15.025) 29.645 4.298 ( 0.000 -7.731 6.120) 9.860 4.579 ( 0.000 -1.432 -7.849) 7.978 4.810 ( 0.000 4.474 -17.554) 18.115 5.260 ( 0.000 -0.532 -1.271) 1.378 5.375 ( 0.000 -5.006 -14.554) 15.391 5.553 ( 0.000 4.458 5.457) 7.047 5.584 ( 0.000 -1.387 -7.815) 7.937 6.008 ( 0.000 16.833 -1.208) 16.877 6.064 ( 0.000 -9.959 -6.303) 11.786 6.587 ( 0.000 -11.766 -10.530) 15.790 6.823 ( 0.000 -6.026 18.344) 19.309 7.106 ( 0.000 5.575 11.889) 13.131 7.125 ( 0.000 -9.278 -2.006) 9.493 7.571 ( 0.000 -6.785 -6.547) 9.429 7.708 ( 0.000 9.062 0.090) 9.062 7.950 ( 0.000 5.701 -0.253) 5.706 8.226 ( 0.000 6.650 -7.080) 9.713 8.607 ( 0.000 -7.545 -4.820) 8.953 9.037 ( 0.000 6.042 -6.525) 8.893 9.427 ( 0.000 -1.388 2.154) 2.563 9.721 ( 0.000 -0.633 5.859) 5.893 9.749 ( 0.000 1.149 -3.268) 3.464 10.054 ( 0.000 -2.392 10.095) 10.374 10.251 ( 0.000 -5.105 1.595) 5.348 10.348 ( 0.000 5.793 4.216) 7.164 10.620 ( 0.000 -2.080 -1.445) 2.532 11.275 ( 0.000 -12.916 3.649) 13.422 11.484 ( 0.000 -11.068 -0.849) 11.100 11.769 ( 0.000 3.885 1.024) 4.018 11.984 ( 0.000 -7.031 -0.222) 7.035 12.196 ( 0.000 3.331 2.914) 4.426 12.352 ( 0.000 -5.777 -1.485) 5.965 12.936 ( 0.000 -5.412 -4.938) 7.327 12.992 ( 0.000 -4.080 1.798) 4.458 13.173 ( 0.000 -0.595 0.556) 0.814 13.498 ( 0.000 -0.417 -2.203) 2.242 13.740 ( 0.000 8.100 5.479) 9.779 13.943 ( 0.000 5.102 -5.900) 7.800 14.152 ( 0.000 11.553 1.043) 11.600 14.334 ( 0.000 2.792 1.692) 3.265 14.655 ( 0.000 7.430 5.322) 9.140 15.083 ( 0.000 -5.710 -5.157) 7.694 15.133 ( 0.000 -1.714 -2.647) 3.153 15.636 ( 0.000 -10.092 5.527) 11.506 15.807 ( 0.000 10.380 -20.951) 23.381 15.877 ( 0.000 6.108 -12.001) 13.466 17.095 ( 0.000 7.465 0.099) 7.465 17.777 ( 0.000 -8.414 11.851) 14.534 18.021 ( 0.000 5.396 4.798) 7.221 18.291 ( 0.000 -2.621 -5.524) 6.115 18.449 ( 0.000 0.356 0.179) 0.398 18.530 ( 0.000 -5.190 11.320) 12.453 19.170 ( 0.000 2.679 1.693) 3.168 19.175 ( 0.000 -0.497 5.296) 5.319 19.362 ( 0.000 1.791 1.256) 2.188 19.435 ( 0.000 5.684 -3.857) 6.869 19.526 ( 0.000 1.462 3.026) 3.361 20.009 ( 0.000 -6.625 -2.924) 7.241 20.299 ( 0.000 -1.194 8.483) 8.566 20.485 ( 0.000 -12.386 0.149) 12.387 21.269 ( 0.000 -1.236 -7.031) 7.139 21.310 ( 0.000 -5.889 -12.463) 13.784 22.341 ( 0.000 1.116 2.973) 3.176 22.363 ( 0.000 1.767 1.576) 2.368 22.643 ( 0.000 1.392 -3.539) 3.803 22.680 ( 0.000 -0.126 -0.095) 0.158 24.649 ( 0.000 17.870 -4.271) 18.373 25.516 ( 0.000 12.188 8.158) 14.666 25.549 ( 0.000 6.232 -0.398) 6.245 25.973 ( 0.000 -14.340 -16.301) 21.711 27.224 ( 0.000 9.194 22.205) 24.033 27.594 ( 0.000 -2.782 7.962) 8.434 28.120 ( 0.000 -2.043 -14.395) 14.539 28.194 ( 0.000 -11.614 4.166) 12.339 28.645 ( 0.000 -4.166 -0.743) 4.232 28.892 ( 0.000 -3.134 0.575) 3.186 29.004 ( 0.000 1.437 3.073) 3.392 29.224 ( 0.000 -7.209 -2.989) 7.804 30.255 ( 0.000 9.687 -11.498) 15.035 31.159 ( 0.000 -11.870 -17.746) 21.350 31.296 ( 0.000 13.736 0.870) 13.764 31.690 ( 0.000 -0.219 -2.456) 2.466 32.590 ( 0.000 2.907 -5.048) 5.825 32.591 ( 0.000 0.345 -4.464) 4.477 32.961 ( 0.000 1.131 -0.229) 1.154 33.358 ( 0.000 -9.171 -8.061) 12.210 37.750 ( 0.000 -4.320 10.386) 11.248 37.796 ( 0.000 -5.055 6.907) 8.559 38.178 ( 0.000 2.580 6.692) 7.172 38.638 ( 0.000 -17.797 10.747) 20.790 39.849 ( 0.000 4.551 1.559) 4.811 40.071 ( 0.000 -2.221 -4.614) 5.120 40.105 ( 0.000 3.921 2.463) 4.631 40.389 ( 0.000 -1.310 2.463) 2.790 40.949 ( 0.000 -2.289 7.952) 8.275 41.264 ( 0.000 -7.051 1.446) 7.198 41.765 ( 0.000 0.138 1.507) 1.513 41.812 ( 0.000 -0.273 4.383) 4.391 42.881 ( 0.000 10.848 6.058) 12.425 43.714 ( 0.000 -16.028 -5.224) 16.858 45.033 ( 0.000 13.739 -14.041) 19.645 45.204 ( 0.000 15.246 -27.198) 31.180 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.126 ( -6.588 27.420 19.737) 34.421 2.535 ( 14.443 16.840 14.235) 26.360 3.163 ( -13.676 -0.301 -3.706) 14.172 3.476 ( -5.240 2.984 8.157) 10.144 3.646 ( -2.363 0.442 1.784) 2.994 4.109 ( -9.721 0.142 7.990) 12.585 4.236 ( 11.802 9.344 20.104) 25.115 4.579 ( -0.112 -4.807 -6.380) 7.989 4.912 ( 6.469 4.155 -13.365) 15.419 5.183 ( -2.416 -6.361 -0.325) 6.812 5.342 ( -2.875 4.686 -1.827) 5.793 5.578 ( 0.096 2.055 -7.399) 7.680 5.662 ( 3.741 -0.334 0.166) 3.759 5.970 ( 0.401 7.985 -4.787) 9.319 6.138 ( 5.448 -3.468 -6.948) 9.486 6.421 ( -10.737 -8.399 -8.735) 16.190 6.828 ( -4.806 -6.819 9.231) 12.443 7.113 ( 1.838 2.777 11.370) 11.847 7.160 ( 4.008 -5.545 11.064) 13.009 7.488 ( -5.507 -0.593 -1.904) 5.856 7.765 ( 1.168 -0.265 -7.041) 7.142 8.053 ( 10.682 9.273 4.239) 14.767 8.314 ( 7.240 1.843 -10.582) 12.953 8.651 ( 3.267 -5.126 -3.816) 7.177 9.017 ( -1.690 3.305 -6.691) 7.652 9.366 ( -5.782 -2.743 2.532) 6.882 9.651 ( -4.104 -2.516 -0.574) 4.848 9.803 ( 3.152 1.469 2.497) 4.282 10.009 ( -0.422 -1.179 6.455) 6.576 10.185 ( -3.941 2.020 3.665) 5.748 10.494 ( 7.090 0.172 2.896) 7.660 10.707 ( 8.494 -0.326 1.408) 8.616 11.258 ( -1.560 -11.128 2.876) 11.599 11.447 ( -3.851 -7.310 0.191) 8.264 11.773 ( 0.784 0.334 0.983) 1.301 11.997 ( 0.829 -5.803 -1.423) 6.032 12.167 ( -2.063 -1.302 6.051) 6.524 12.350 ( -0.484 -6.266 -2.889) 6.917 12.861 ( -5.445 -4.162 -6.396) 9.374 12.963 ( -3.129 -5.066 1.132) 6.061 13.214 ( 2.695 -1.551 1.344) 3.388 13.522 ( 2.519 3.152 -1.356) 4.257 13.749 ( 0.920 7.353 4.827) 8.844 13.931 ( -1.242 4.963 -4.751) 6.981 14.092 ( -5.305 9.284 0.668) 10.714 14.319 ( -0.608 5.622 3.618) 6.713 14.619 ( -3.547 5.351 -1.601) 6.616 15.096 ( -0.203 -8.533 -4.121) 9.479 15.169 ( 3.806 -0.648 -1.032) 3.996 15.678 ( 3.817 -0.576 -5.026) 6.337 15.813 ( 4.272 2.842 -0.077) 5.132 16.043 ( 12.670 6.601 -18.815) 23.624 17.034 ( -6.345 6.495 -0.073) 9.080 17.633 ( -11.198 -3.124 4.578) 12.494 17.880 ( -11.715 2.837 10.615) 16.061 18.317 ( -5.689 -0.245 4.405) 7.199 18.378 ( 4.270 -4.296 -0.297) 6.065 18.740 ( 12.412 -3.907 3.362) 13.440 19.066 ( -4.467 -2.453 -0.375) 5.110 19.197 ( -1.842 2.137 3.165) 4.240 19.339 ( -0.481 2.415 -0.356) 2.487 19.449 ( 0.255 1.936 -4.302) 4.724 19.601 ( 5.601 1.324 2.125) 6.135 19.990 ( -1.973 -4.842 0.715) 5.278 20.134 ( -8.641 -8.321 0.166) 11.997 20.644 ( 7.759 -1.082 4.190) 8.884 21.180 ( -0.749 -4.245 -4.294) 6.084 21.476 ( 8.467 -2.544 -10.447) 13.686 22.331 ( -0.379 1.103 2.522) 2.778 22.390 ( 1.933 1.755 1.607) 3.066 22.632 ( -0.527 1.563 -2.595) 3.074 22.695 ( 0.753 0.077 0.070) 0.761 24.587 ( -5.338 10.831 -6.030) 13.497 25.484 ( -1.364 8.180 9.751) 12.801 25.579 ( 2.124 9.208 2.052) 9.670 26.152 ( 15.934 -8.854 -16.863) 24.832 27.019 ( -15.580 9.832 25.861) 31.752 27.633 ( -3.047 -2.639 -5.855) 7.109 27.988 ( -0.736 -6.285 -0.253) 6.333 28.384 ( 8.429 -5.103 -0.743) 9.881 28.577 ( -4.276 -3.262 1.183) 5.507 28.969 ( 3.530 -4.524 0.703) 5.781 29.014 ( 2.125 0.053 0.731) 2.248 29.186 ( -2.559 -7.261 -4.721) 9.031 30.239 ( -1.511 9.067 -12.791) 15.751 31.165 ( -8.618 10.792 -2.347) 14.009 31.251 ( 6.773 -9.428 -15.637) 19.475 31.770 ( 5.484 0.607 0.778) 5.572 32.525 ( -2.926 2.129 -1.174) 3.804 32.634 ( 0.442 -0.316 -2.261) 2.325 32.952 ( -0.036 1.883 -6.361) 6.634 33.332 ( -2.683 -8.336 -9.301) 12.775 37.726 ( -1.121 -3.097 10.390) 10.899 37.826 ( 1.643 -5.299 6.699) 8.698 38.122 ( -4.524 0.429 6.379) 7.832 38.656 ( 1.107 -14.717 8.934) 17.252 39.881 ( 2.998 4.421 2.039) 5.717 40.061 ( -0.285 0.380 -1.818) 1.879 40.130 ( 1.709 0.800 0.768) 2.037 40.368 ( -2.216 -1.052 2.507) 3.507 40.946 ( 0.117 -0.736 7.107) 7.146 41.280 ( 1.677 -5.952 1.607) 6.389 41.697 ( -6.166 1.170 1.349) 6.419 41.780 ( -3.983 0.241 3.854) 5.547 42.819 ( -3.339 7.106 4.811) 9.208 43.717 ( -0.593 -8.807 1.753) 8.999 45.033 ( 0.901 13.407 -15.482) 20.500 45.244 ( 2.294 9.752 -25.209) 27.127 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.913 ( -12.858 10.624 5.985) 17.721 2.836 ( 12.475 15.465 8.043) 21.436 3.016 ( 0.218 9.609 -10.525) 14.253 3.322 ( -6.946 11.415 -1.895) 13.496 3.589 ( -6.405 -3.127 8.095) 10.785 3.922 ( -5.351 -1.072 10.431) 11.772 4.375 ( 0.329 -1.510 -0.766) 1.725 4.636 ( 5.806 0.832 5.879) 8.304 4.968 ( 0.843 1.999 -4.746) 5.218 5.220 ( 3.178 -3.789 -9.386) 10.609 5.322 ( 0.417 7.826 11.597) 13.997 5.513 ( -2.545 6.056 -2.251) 6.944 5.678 ( -3.808 2.879 -3.173) 5.732 6.018 ( 2.297 3.082 -8.945) 9.736 6.239 ( 1.953 -2.174 -4.866) 5.676 6.313 ( 3.314 -8.454 -11.086) 14.331 6.707 ( -5.793 -5.731 6.912) 10.685 7.105 ( -0.420 0.455 10.047) 10.066 7.243 ( -0.022 -6.664 15.382) 16.763 7.375 ( -4.102 3.973 3.201) 6.547 7.816 ( 4.535 -1.330 -6.087) 7.706 8.238 ( 4.868 9.213 12.261) 16.090 8.464 ( 7.084 -4.708 -10.563) 13.561 8.694 ( 0.761 -1.221 -7.377) 7.516 9.000 ( 1.182 -1.255 -7.116) 7.322 9.234 ( -6.796 -5.363 -3.503) 9.339 9.613 ( 0.429 -1.931 -2.010) 2.820 9.847 ( 1.002 0.854 5.054) 5.223 10.053 ( 3.144 2.391 6.709) 7.785 10.114 ( -2.495 3.149 5.952) 7.181 10.590 ( 3.375 -2.302 1.849) 4.484 10.867 ( 4.903 3.805 3.291) 7.025 11.228 ( -0.760 -3.398 1.545) 3.809 11.348 ( -5.002 -6.222 4.098) 8.974 11.811 ( 3.056 -4.093 0.065) 5.109 11.980 ( -3.158 -2.313 -1.453) 4.175 12.162 ( 2.294 -9.393 5.878) 11.316 12.322 ( -2.478 -10.253 -1.696) 10.684 12.765 ( -3.554 -3.906 -8.667) 10.149 12.888 ( -3.597 -4.471 0.285) 5.745 13.250 ( 0.954 -3.017 0.097) 3.165 13.588 ( 3.505 10.134 3.830) 11.387 13.772 ( 1.118 7.245 0.204) 7.334 13.895 ( -1.992 4.236 -1.139) 4.818 13.987 ( -4.154 8.845 0.471) 9.783 14.330 ( 1.775 6.109 3.231) 7.135 14.532 ( -4.688 0.820 -7.986) 9.296 15.027 ( -4.544 -9.427 -7.338) 12.782 15.308 ( 7.920 0.381 4.347) 9.043 15.727 ( 0.486 3.736 -13.916) 14.417 15.995 ( 12.274 -1.714 14.322) 18.940 16.320 ( 12.732 10.315 -13.044) 20.944 16.868 ( -7.326 2.665 -5.887) 9.769 17.363 ( -17.080 8.060 -5.992) 19.814 17.686 ( -4.794 -5.473 16.250) 17.804 18.158 ( -8.716 0.115 10.818) 13.893 18.476 ( 4.694 -8.396 -1.637) 9.758 18.903 ( -0.094 2.301 -0.525) 2.362 19.029 ( 3.915 -5.108 -0.816) 6.487 19.194 ( 1.999 -1.569 0.375) 2.569 19.317 ( -2.213 0.207 -3.653) 4.276 19.446 ( -0.188 1.227 -7.837) 7.935 19.707 ( 4.975 -2.038 1.433) 5.565 19.926 ( -4.394 -4.957 4.074) 7.777 20.030 ( -2.186 -6.329 -2.648) 7.201 20.724 ( 1.222 7.163 3.511) 8.070 21.254 ( 6.183 -6.254 0.795) 8.831 21.597 ( 3.269 0.871 -6.921) 7.704 22.328 ( 0.040 0.798 2.327) 2.460 22.426 ( 1.497 2.204 1.054) 2.865 22.631 ( 0.480 1.670 -1.477) 2.281 22.694 ( -0.936 0.858 1.074) 1.663 24.478 ( -4.601 1.138 -8.672) 9.882 25.495 ( 2.246 1.037 12.328) 12.574 25.612 ( 0.896 13.726 6.820) 15.353 26.524 ( 17.559 -0.767 -10.988) 20.727 26.734 ( -8.800 10.926 20.042) 24.464 27.418 ( -15.714 -1.563 -16.426) 22.786 28.094 ( 7.570 -6.460 3.774) 10.643 28.437 ( -2.587 -3.711 3.879) 5.959 28.567 ( 3.551 -1.824 0.613) 4.039 28.915 ( -6.381 -2.654 1.208) 7.016 29.094 ( 3.098 -7.537 -1.851) 8.356 29.195 ( 3.240 -5.122 -7.292) 9.482 30.202 ( -1.921 8.205 -14.556) 16.819 30.984 ( -7.535 12.548 -2.849) 14.911 31.440 ( 10.178 -10.571 -14.549) 20.664 31.840 ( 0.727 -0.560 2.248) 2.428 32.484 ( -1.058 2.225 3.751) 4.487 32.603 ( -2.829 0.661 3.521) 4.565 32.994 ( 4.198 -0.145 -15.468) 16.028 33.253 ( -5.047 -6.214 -12.225) 14.613 37.724 ( 0.975 -1.401 10.054) 10.198 37.835 ( -1.003 -2.071 7.703) 8.039 38.044 ( -2.487 -6.382 4.296) 8.085 38.666 ( -0.039 -9.821 5.679) 11.345 39.959 ( 4.452 3.647 3.257) 6.613 40.062 ( 0.022 0.289 0.924) 0.969 40.156 ( 0.532 0.600 0.855) 1.172 40.308 ( -3.113 -0.402 1.640) 3.542 40.969 ( 2.180 2.603 4.849) 5.920 41.326 ( 2.333 -2.070 2.681) 4.113 41.532 ( -8.563 2.956 2.201) 9.323 41.684 ( -4.701 -1.654 2.354) 5.511 42.811 ( 1.853 -1.472 2.568) 3.493 43.681 ( -2.522 3.345 12.240) 12.937 45.081 ( 3.620 8.839 -18.179) 20.536 45.252 ( -1.598 5.429 -21.210) 21.952 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 0.000 2.375 -13.992) 14.192 2.904 ( 0.000 13.754 -10.895) 17.546 3.180 ( 0.000 22.599 -0.659) 22.609 3.197 ( -0.000 5.210 14.139) 15.068 3.477 ( 0.000 -0.353 3.752) 3.768 3.875 ( 0.000 -3.654 11.546) 12.110 4.371 ( 0.000 -6.832 -5.177) 8.572 4.685 ( 0.000 1.289 1.173) 1.743 5.004 ( 0.000 1.549 1.570) 2.205 5.260 ( 0.000 0.579 -12.618) 12.631 5.306 ( 0.000 12.621 19.300) 23.061 5.517 ( 0.000 2.978 -3.523) 4.613 5.593 ( 0.000 5.584 -6.117) 8.282 6.031 ( 0.000 -4.624 -8.419) 9.605 6.317 ( -0.000 -12.328 -10.438) 16.154 6.333 ( 0.000 9.230 -4.227) 10.152 6.640 ( 0.000 -6.170 7.799) 9.944 7.118 ( 0.000 -14.995 -0.970) 15.027 7.192 ( 0.000 13.620 20.257) 24.410 7.348 ( 0.000 -3.623 8.364) 9.116 7.881 ( 0.000 0.157 -7.584) 7.585 8.262 ( 0.000 6.530 21.014) 22.005 8.552 ( 0.000 -8.581 -7.908) 11.669 8.691 ( 0.000 4.001 -9.765) 10.553 9.075 ( 0.000 -7.018 -19.127) 20.374 9.109 ( -0.000 -2.529 1.201) 2.800 9.631 ( 0.000 -1.418 -2.231) 2.643 9.851 ( 0.000 0.910 5.823) 5.893 10.075 ( 0.000 4.439 7.825) 8.996 10.105 ( 0.000 2.242 8.880) 9.158 10.631 ( 0.000 -3.120 0.756) 3.210 10.895 ( 0.000 5.859 3.330) 6.739 11.236 ( 0.000 7.537 1.841) 7.759 11.286 ( 0.000 -13.933 6.099) 15.210 11.878 ( 0.000 -7.562 -1.473) 7.704 11.907 ( 0.000 -0.244 0.191) 0.310 12.219 ( 0.000 -5.557 3.170) 6.398 12.269 ( 0.000 -18.465 0.958) 18.490 12.730 ( 0.000 -4.104 -9.814) 10.638 12.848 ( 0.000 -3.519 -0.299) 3.531 13.259 ( 0.000 -3.512 -0.872) 3.618 13.630 ( 0.000 13.936 9.044) 16.613 13.783 ( 0.000 7.977 -6.608) 10.358 13.872 ( 0.000 2.658 2.178) 3.436 13.944 ( 0.000 9.422 0.757) 9.452 14.367 ( 0.000 9.507 5.064) 10.772 14.466 ( -0.000 -5.608 -12.804) 13.979 14.975 ( 0.000 -9.212 -6.954) 11.542 15.404 ( 0.000 1.427 5.912) 6.081 15.722 ( 0.000 0.885 -16.153) 16.177 16.178 ( 0.000 -0.228 21.665) 21.666 16.408 ( -0.000 11.293 -1.223) 11.359 16.902 ( 0.000 3.030 -30.036) 30.188 17.055 ( -0.000 9.237 0.379) 9.245 17.660 ( 0.000 -8.025 14.816) 16.850 18.050 ( 0.000 -0.010 13.262) 13.262 18.534 ( 0.000 -10.550 -3.082) 10.991 18.862 ( 0.000 5.624 0.811) 5.682 19.108 ( 0.000 -2.571 0.530) 2.625 19.239 ( 0.000 -5.234 -1.634) 5.483 19.263 ( -0.000 -1.490 -6.514) 6.682 19.446 ( 0.000 1.355 -10.552) 10.638 19.792 ( 0.000 -5.759 3.359) 6.667 19.843 ( 0.000 -1.760 1.744) 2.477 20.013 ( 0.000 -6.145 -1.197) 6.261 20.732 ( 0.000 9.840 4.208) 10.702 21.333 ( 0.000 -7.421 0.751) 7.459 21.622 ( 0.000 3.433 -3.947) 5.231 22.329 ( 0.000 0.620 2.293) 2.375 22.442 ( 0.000 2.599 0.745) 2.703 22.644 ( 0.000 1.161 -0.853) 1.441 22.674 ( 0.000 1.734 1.421) 2.242 24.429 ( 0.000 -2.448 -9.763) 10.066 25.532 ( 0.000 -6.019 12.686) 14.041 25.617 ( 0.000 18.155 9.660) 20.565 26.556 ( 0.000 15.493 31.542) 35.142 26.909 ( 0.000 -1.032 -28.617) 28.636 27.134 ( -0.000 -0.092 -12.348) 12.348 28.192 ( 0.000 -6.925 2.213) 7.270 28.391 ( 0.000 -3.513 5.228) 6.299 28.627 ( 0.000 -1.535 0.846) 1.753 28.820 ( -0.000 -3.246 0.647) 3.310 29.125 ( 0.000 -7.597 -2.386) 7.963 29.239 ( 0.000 -5.644 -7.399) 9.306 30.179 ( 0.000 7.983 -15.228) 17.193 30.904 ( 0.000 12.622 -2.885) 12.948 31.572 ( 0.000 -10.575 -15.387) 18.670 31.823 ( -0.000 -1.639 3.073) 3.483 32.479 ( 0.000 2.394 7.080) 7.474 32.565 ( 0.000 2.691 3.825) 4.677 33.071 ( 0.000 -4.143 -16.661) 17.168 33.169 ( 0.000 -3.190 -14.527) 14.873 37.746 ( 0.000 -0.890 9.260) 9.302 37.809 ( 0.000 1.238 9.339) 9.421 38.023 ( 0.000 -11.274 2.715) 11.596 38.663 ( 0.000 -7.577 4.114) 8.622 40.039 ( 0.000 3.213 1.705) 3.637 40.039 ( -0.000 -0.573 5.396) 5.426 40.153 ( 0.000 1.655 1.030) 1.950 40.274 ( 0.000 -0.187 0.062) 0.197 41.003 ( 0.000 4.474 2.957) 5.363 41.336 ( 0.000 8.488 5.528) 10.130 41.451 ( 0.000 -6.723 1.404) 6.868 41.626 ( 0.000 -1.989 1.611) 2.560 42.840 ( 0.000 -6.184 0.778) 6.232 43.649 ( 0.000 9.377 17.099) 19.501 45.142 ( 0.000 3.818 -22.861) 23.178 45.211 ( 0.000 6.916 -15.902) 17.341 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( 0.000 16.542 4.900) 17.253 2.790 ( 0.000 19.209 -1.607) 19.276 3.209 ( 0.000 -5.844 14.408) 15.549 3.317 ( 0.000 -8.484 13.108) 15.614 3.885 ( 0.000 5.090 26.871) 27.349 4.051 ( 0.000 -11.052 24.069) 26.485 4.335 ( 0.000 14.782 -0.093) 14.782 4.518 ( 0.000 -5.129 1.131) 5.253 4.981 ( 0.000 11.225 -26.567) 28.841 5.209 ( 0.000 -11.212 -24.920) 27.326 5.313 ( 0.000 8.603 -11.858) 14.649 5.516 ( 0.000 -7.587 -13.333) 15.341 5.666 ( 0.000 7.107 3.531) 7.936 5.857 ( 0.000 -11.878 -5.551) 13.111 6.232 ( 0.000 6.506 -6.075) 8.902 6.359 ( 0.000 -9.324 -8.531) 12.638 6.774 ( 0.000 0.594 10.400) 10.417 6.875 ( 0.000 -10.728 1.549) 10.839 7.318 ( 0.000 13.221 10.707) 17.013 7.491 ( 0.000 -4.018 -2.320) 4.640 7.875 ( 0.000 7.699 1.068) 7.773 7.996 ( 0.000 -3.280 3.296) 4.650 8.350 ( 0.000 6.179 -10.064) 11.809 8.468 ( 0.000 -6.242 -6.196) 8.795 9.241 ( 0.000 13.992 0.495) 14.001 9.448 ( 0.000 -1.242 -3.023) 3.268 9.639 ( 0.000 -3.471 16.275) 16.641 9.717 ( 0.000 -5.486 5.233) 7.582 10.036 ( 0.000 2.084 2.809) 3.498 10.131 ( 0.000 -6.548 -0.853) 6.603 10.466 ( 0.000 5.975 4.117) 7.256 10.566 ( 0.000 -3.982 1.378) 4.213 11.112 ( 0.000 -1.309 4.951) 5.122 11.232 ( 0.000 -12.040 3.605) 12.568 11.854 ( 0.000 3.349 0.137) 3.352 11.892 ( 0.000 -1.864 -0.091) 1.867 12.288 ( 0.000 2.551 -1.895) 3.178 12.296 ( 0.000 -0.253 -1.214) 1.240 12.864 ( 0.000 -1.556 -5.393) 5.613 12.892 ( 0.000 -4.455 -1.720) 4.775 13.233 ( 0.000 6.691 5.543) 8.688 13.395 ( 0.000 -8.454 4.378) 9.520 13.869 ( 0.000 5.144 2.834) 5.873 13.945 ( 0.000 -2.626 -1.675) 3.114 14.350 ( 0.000 6.389 0.259) 6.394 14.391 ( 0.000 1.478 2.736) 3.110 14.811 ( 0.000 8.113 -2.873) 8.607 14.953 ( 0.000 -6.885 -8.921) 11.269 15.177 ( 0.000 6.855 5.925) 9.061 15.390 ( 0.000 -13.526 8.643) 16.052 15.966 ( 0.000 5.143 -20.202) 20.846 15.987 ( 0.000 3.084 -16.823) 17.103 17.297 ( 0.000 12.934 5.015) 13.872 17.563 ( 0.000 -13.167 10.015) 16.543 18.118 ( 0.000 4.744 -3.253) 5.752 18.212 ( 0.000 -4.872 -8.927) 10.170 18.453 ( 0.000 0.270 1.943) 1.961 18.469 ( 0.000 -1.562 8.033) 8.183 19.184 ( 0.000 1.067 7.069) 7.149 19.196 ( 0.000 0.232 5.725) 5.730 19.404 ( 0.000 2.498 0.213) 2.507 19.453 ( 0.000 -2.229 -1.191) 2.527 19.658 ( 0.000 10.037 -0.629) 10.057 19.853 ( 0.000 -9.366 -2.757) 9.764 20.280 ( 0.000 -0.307 9.917) 9.922 20.316 ( 0.000 -4.836 6.913) 8.437 21.222 ( 0.000 -2.194 -5.159) 5.606 21.228 ( 0.000 -2.119 -4.536) 5.006 22.368 ( 0.000 1.403 0.970) 1.706 22.383 ( 0.000 0.111 0.713) 0.722 22.662 ( 0.000 0.733 -1.743) 1.891 22.674 ( 0.000 -0.500 -0.404) 0.643 25.089 ( 0.000 25.452 -17.518) 30.897 25.547 ( 0.000 -16.257 -22.767) 27.975 25.668 ( 0.000 3.635 8.084) 8.863 25.699 ( 0.000 -4.020 6.262) 7.441 27.413 ( 0.000 9.037 14.539) 17.118 27.539 ( 0.000 -3.879 8.787) 9.605 28.053 ( 0.000 -2.648 1.772) 3.186 28.067 ( 0.000 -2.817 -6.174) 6.786 28.636 ( 0.000 3.879 1.375) 4.115 28.774 ( 0.000 -8.436 2.436) 8.780 29.031 ( 0.000 1.709 3.804) 4.170 29.089 ( 0.000 -4.956 2.101) 5.383 30.537 ( 0.000 17.463 -17.792) 24.930 30.878 ( 0.000 -16.639 -19.072) 25.310 31.525 ( 0.000 9.350 -2.664) 9.722 31.653 ( 0.000 -3.967 -3.673) 5.407 32.605 ( 0.000 0.930 -5.190) 5.273 32.618 ( 0.000 -0.015 -6.257) 6.257 33.026 ( 0.000 5.689 0.227) 5.693 33.174 ( 0.000 -9.111 -3.449) 9.742 37.701 ( 0.000 -0.606 9.773) 9.792 37.722 ( 0.000 -2.530 8.225) 8.605 38.244 ( 0.000 4.685 7.355) 8.720 38.378 ( 0.000 -9.599 8.715) 12.966 39.936 ( 0.000 4.227 -1.452) 4.470 40.012 ( 0.000 -3.570 -3.352) 4.897 40.203 ( 0.000 5.940 4.267) 7.313 40.320 ( 0.000 -5.482 4.359) 7.004 40.982 ( 0.000 5.156 3.411) 6.182 41.115 ( 0.000 -7.784 1.511) 7.929 41.779 ( 0.000 1.090 3.861) 4.012 41.800 ( 0.000 -0.920 4.636) 4.727 43.129 ( 0.000 13.960 1.216) 14.013 43.412 ( 0.000 -15.056 -2.412) 15.248 45.252 ( 0.000 8.391 -16.970) 18.931 45.339 ( 0.000 0.169 -21.516) 21.517 ======================= Grid point 120 (46/96) ======================= q-point: ( 0.17 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.580 ( -21.511 14.003 11.827) 28.261 2.837 ( 8.778 14.097 5.132) 17.381 3.086 ( 2.168 -8.054 0.793) 8.378 3.517 ( 8.470 2.716 9.703) 13.163 3.660 ( -14.068 -3.048 11.774) 18.596 4.141 ( -2.283 6.926 11.176) 13.345 4.342 ( -0.785 0.597 -2.533) 2.718 4.523 ( 5.161 -1.314 5.131) 7.395 5.022 ( -4.767 -4.218 -8.868) 10.916 5.096 ( 2.840 11.145 -15.229) 19.084 5.371 ( 3.014 -6.763 -15.138) 16.852 5.545 ( 3.408 -1.671 -7.598) 8.493 5.664 ( -1.171 0.500 -0.149) 1.282 5.971 ( 9.158 -3.628 -6.642) 11.881 6.178 ( -5.311 3.477 -7.764) 10.029 6.288 ( -5.258 -4.624 -10.983) 13.025 6.697 ( -3.622 -5.392 3.984) 7.620 6.972 ( 2.990 -4.727 11.813) 13.070 7.311 ( -5.016 6.633 5.199) 9.808 7.462 ( 4.273 1.756 3.595) 5.854 7.843 ( 0.273 2.385 4.114) 4.763 8.181 ( 11.305 4.219 1.606) 12.173 8.321 ( 0.271 -0.876 -10.910) 10.949 8.563 ( 6.149 -2.912 -7.438) 10.080 9.152 ( -8.031 8.770 0.414) 11.899 9.400 ( -7.081 4.817 4.272) 9.571 9.531 ( -3.303 -8.916 3.131) 10.010 9.764 ( 2.350 -4.178 10.008) 11.097 10.002 ( 1.610 0.670 1.282) 2.165 10.184 ( -0.591 -1.537 2.383) 2.896 10.508 ( 2.541 0.907 2.147) 3.448 10.699 ( 12.929 -0.594 5.189) 13.944 11.095 ( -0.844 -2.952 4.619) 5.547 11.291 ( 4.430 -7.402 2.944) 9.115 11.818 ( -2.961 3.430 0.630) 4.575 11.893 ( -0.084 -3.265 -1.450) 3.574 12.208 ( -6.363 2.686 3.267) 7.640 12.278 ( -2.995 -2.449 -1.309) 4.085 12.803 ( -4.518 -1.613 -7.666) 9.043 12.877 ( -1.876 -2.890 -2.787) 4.432 13.217 ( -1.068 1.490 4.344) 4.715 13.492 ( 8.346 -3.460 4.527) 10.105 13.860 ( -0.445 3.892 4.224) 5.760 13.950 ( 0.270 -1.075 -2.141) 2.411 14.258 ( -5.937 5.676 -0.910) 8.264 14.407 ( -0.658 2.169 4.450) 4.994 14.753 ( -5.776 7.638 -4.863) 10.741 14.918 ( -3.687 -8.497 -7.775) 12.093 15.190 ( 4.532 1.853 -0.104) 4.897 15.575 ( 14.860 -5.608 14.709) 21.647 15.895 ( -2.935 3.032 -13.445) 14.091 16.164 ( 12.971 3.900 -23.770) 27.358 17.191 ( -10.717 7.936 2.833) 13.633 17.530 ( -1.974 -6.162 11.731) 13.397 17.935 ( -12.869 2.085 0.638) 13.052 18.257 ( 1.392 -3.329 -9.520) 10.181 18.355 ( -7.412 0.225 6.352) 9.764 18.672 ( 13.039 -2.298 3.889) 13.799 19.034 ( -6.235 -0.699 2.166) 6.637 19.224 ( -3.088 0.733 3.990) 5.099 19.390 ( -0.364 1.807 -0.293) 1.866 19.478 ( 0.960 0.595 -2.586) 2.822 19.644 ( -0.554 3.365 0.052) 3.411 19.853 ( -1.405 -7.051 -0.229) 7.193 20.040 ( -6.516 -1.781 1.777) 6.985 20.663 ( 16.595 1.677 11.391) 20.198 21.092 ( -3.735 -3.441 -2.270) 5.563 21.426 ( 10.219 -1.819 -3.809) 11.057 22.353 ( -0.679 0.800 0.530) 1.175 22.415 ( 2.159 0.667 0.751) 2.381 22.655 ( -0.141 0.702 -1.373) 1.548 22.693 ( 1.116 -0.215 0.158) 1.147 24.820 ( -17.642 9.448 -17.851) 26.817 25.534 ( -4.045 -0.609 3.697) 5.514 25.753 ( 5.773 6.577 6.090) 10.662 25.978 ( 24.078 -7.429 -16.316) 30.020 27.185 ( -14.670 5.154 19.989) 25.324 27.660 ( -1.134 5.724 -2.513) 6.354 27.824 ( -2.682 -9.294 -0.390) 9.681 28.325 ( 9.806 -1.679 0.792) 9.980 28.568 ( -3.821 2.180 2.259) 4.945 28.814 ( 1.192 -7.895 3.232) 8.614 29.034 ( 0.354 1.432 2.461) 2.869 29.080 ( 0.077 -3.509 -0.288) 3.522 30.473 ( -4.778 11.511 -18.482) 22.292 31.005 ( 10.701 -10.838 -17.700) 23.351 31.358 ( -10.777 5.296 -6.241) 13.533 31.773 ( 5.957 -0.138 0.279) 5.965 32.559 ( -2.790 1.211 -2.736) 4.091 32.623 ( -0.450 -0.639 -1.793) 1.956 33.014 ( -0.784 4.362 -4.677) 6.443 33.171 ( -0.644 -7.273 -5.735) 9.285 37.694 ( 0.251 -0.319 9.495) 9.504 37.746 ( 1.507 -2.587 7.030) 7.641 38.138 ( -7.509 0.904 6.971) 10.286 38.454 ( 4.469 -5.702 8.356) 11.060 39.963 ( 2.508 3.584 -1.131) 4.519 40.037 ( 2.175 -2.275 -2.154) 3.814 40.175 ( -2.136 3.032 4.332) 5.703 40.316 ( -0.838 -3.385 4.247) 5.495 40.999 ( 2.098 5.556 2.780) 6.557 41.143 ( 2.567 -7.452 1.538) 8.031 41.709 ( -4.654 0.227 2.279) 5.187 41.790 ( -3.620 0.418 4.898) 6.105 42.943 ( -11.145 4.271 -2.069) 12.114 43.575 ( 9.730 -4.644 5.725) 12.207 45.241 ( -1.109 7.612 -18.236) 19.792 45.333 ( -0.628 -0.115 -20.373) 20.383 ======================= Grid point 121 (47/96) ======================= q-point: ( 0.33 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -21.936 6.096 0.618) 22.776 3.030 ( 6.834 5.673 3.890) 9.696 3.186 ( 4.844 7.352 -3.323) 9.410 3.421 ( -4.526 -9.794 1.557) 10.901 3.653 ( 3.951 11.519 4.129) 12.858 3.976 ( -12.740 7.647 -4.158) 15.430 4.263 ( -3.005 -7.271 2.312) 8.200 4.664 ( 4.229 1.404 3.479) 5.653 4.975 ( 2.167 -3.121 0.059) 3.800 5.223 ( 7.088 6.492 -5.695) 11.172 5.437 ( 2.983 2.814 0.543) 4.137 5.593 ( 0.802 2.492 -5.666) 6.242 5.680 ( 3.511 -4.679 -8.764) 10.537 6.018 ( -8.177 -1.149 -13.416) 15.753 6.041 ( -5.588 -8.665 -11.604) 15.523 6.324 ( 10.672 3.065 -4.226) 11.881 6.655 ( -0.791 -1.305 6.697) 6.869 6.934 ( -5.805 -7.059 10.554) 13.961 7.138 ( -8.665 -3.163 2.595) 9.582 7.673 ( 11.678 12.445 9.408) 19.487 7.863 ( 1.799 4.003 4.604) 6.360 8.314 ( 2.979 -1.506 -7.985) 8.655 8.371 ( 0.316 -1.284 7.665) 7.778 8.670 ( 5.002 -1.024 -10.788) 11.935 9.009 ( -3.767 1.652 -7.658) 8.692 9.224 ( -8.262 2.242 4.134) 9.507 9.548 ( 2.900 -3.539 -0.609) 4.616 9.790 ( 0.109 -4.759 11.526) 12.470 10.071 ( 3.843 0.199 6.104) 7.216 10.135 ( -2.783 -0.444 6.035) 6.661 10.561 ( 2.821 -0.599 2.800) 4.020 10.955 ( 10.148 3.257 5.905) 12.184 11.089 ( 0.153 -3.132 4.043) 5.116 11.363 ( 2.086 -0.126 3.117) 3.753 11.766 ( -1.346 2.128 1.488) 2.925 11.894 ( 0.467 -6.425 -3.143) 7.168 12.054 ( -8.136 -1.585 5.604) 10.006 12.196 ( -4.363 -3.431 3.296) 6.456 12.723 ( -2.960 -0.707 -12.307) 12.678 12.833 ( -1.968 -1.324 -4.024) 4.671 13.199 ( -0.714 -1.564 2.774) 3.263 13.682 ( 9.762 0.678 4.769) 10.885 13.861 ( 0.460 2.669 5.669) 6.283 13.942 ( -1.596 0.841 -0.780) 1.965 14.154 ( -3.928 6.304 -1.938) 7.676 14.382 ( -0.848 0.154 0.955) 1.286 14.605 ( -8.099 4.160 -3.631) 9.803 14.838 ( -3.366 -7.148 -10.332) 13.007 15.341 ( 8.790 1.472 0.771) 8.946 15.804 ( -2.322 3.708 -11.073) 11.906 15.929 ( 15.117 -3.926 16.750) 22.902 16.475 ( 15.808 4.263 -21.326) 26.886 16.925 ( -12.308 2.348 -4.371) 13.270 17.501 ( -3.391 3.857 10.104) 11.334 17.627 ( -16.089 0.502 5.764) 17.098 18.156 ( -8.927 0.107 10.546) 13.818 18.284 ( 0.651 -8.829 -10.893) 14.036 18.919 ( 10.388 -0.881 3.428) 10.974 18.977 ( -0.095 0.193 -4.149) 4.154 19.157 ( -2.148 -1.342 1.896) 3.164 19.336 ( -5.334 0.723 -5.065) 7.391 19.499 ( 1.420 3.170 -3.369) 4.839 19.655 ( 1.381 -2.691 3.191) 4.396 19.817 ( -0.882 -3.727 1.615) 4.156 19.974 ( -2.457 -0.976 -2.486) 3.629 20.893 ( 5.584 9.610 7.003) 13.137 21.097 ( 3.998 -9.266 3.855) 10.803 21.598 ( 6.339 -0.291 0.019) 6.346 22.344 ( -0.247 0.554 0.241) 0.653 22.457 ( 1.894 0.866 0.357) 2.113 22.658 ( 0.352 0.856 -1.159) 1.483 22.705 ( 0.013 0.260 1.866) 1.884 24.523 ( -10.902 2.125 -17.176) 20.454 25.475 ( -1.667 -0.938 7.583) 7.821 25.836 ( 2.740 6.513 9.041) 11.475 26.494 ( 25.640 -1.401 -19.491) 32.238 26.921 ( -10.308 5.669 22.025) 24.969 27.430 ( -15.929 2.208 -12.738) 20.515 27.953 ( 8.559 -5.615 1.919) 10.415 28.366 ( -4.062 -2.909 3.443) 6.068 28.581 ( 3.764 2.141 2.487) 4.994 28.787 ( -3.051 -6.423 4.835) 8.599 29.036 ( 0.165 -0.296 -0.125) 0.361 29.121 ( 2.943 -2.320 -3.542) 5.156 30.386 ( -3.468 7.620 -18.719) 20.506 31.161 ( -7.293 5.057 -6.935) 11.263 31.244 ( 11.128 -7.460 -17.910) 22.367 31.827 ( -0.802 -0.552 2.485) 2.669 32.521 ( -0.778 1.201 4.569) 4.788 32.610 ( -0.645 0.067 3.800) 3.855 33.007 ( 0.098 1.247 -12.627) 12.689 33.143 ( -1.915 -4.107 -10.500) 11.437 37.722 ( 2.317 1.250 8.088) 8.506 37.775 ( 1.744 -3.315 5.742) 6.856 37.985 ( -7.459 -0.725 6.491) 9.914 38.520 ( 2.043 -4.335 7.138) 8.597 40.019 ( 2.257 1.520 1.082) 2.928 40.082 ( 1.972 2.235 1.174) 3.203 40.148 ( 0.070 -1.324 2.163) 2.537 40.279 ( -2.694 -1.722 3.707) 4.895 41.069 ( 4.282 7.074 1.624) 8.427 41.217 ( 5.011 -7.427 1.008) 9.016 41.605 ( -6.758 2.897 1.834) 7.579 41.655 ( -7.479 -1.268 3.198) 8.232 42.791 ( -4.055 -0.567 -1.172) 4.259 43.724 ( 5.031 1.118 14.757) 15.631 45.212 ( -1.554 3.954 -21.919) 22.327 45.319 ( -0.656 1.391 -17.456) 17.524 ======================= Grid point 122 (48/96) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 0.000 4.543 -14.290) 14.995 3.033 ( 0.000 1.589 1.755) 2.367 3.354 ( -0.000 7.669 0.306) 7.675 3.357 ( 0.000 -1.199 -4.729) 4.878 3.696 ( -0.000 14.637 -11.139) 18.393 3.793 ( 0.000 -3.808 12.655) 13.216 4.247 ( 0.000 -4.092 5.956) 7.226 4.680 ( 0.000 -0.572 -1.864) 1.950 5.031 ( 0.000 0.662 -1.602) 1.733 5.316 ( 0.000 3.272 -3.054) 4.476 5.445 ( 0.000 2.585 16.283) 16.487 5.633 ( 0.000 10.489 -17.499) 20.402 5.730 ( 0.000 7.732 -4.845) 9.124 5.890 ( 0.000 -7.893 -8.738) 11.775 5.965 ( 0.000 -20.610 -26.289) 33.405 6.506 ( 0.000 5.994 6.628) 8.937 6.632 ( 0.000 4.369 9.276) 10.254 6.839 ( 0.000 -12.058 3.480) 12.550 7.038 ( 0.000 -7.752 2.925) 8.285 7.787 ( 0.000 21.271 12.814) 24.833 7.920 ( 0.000 2.312 -1.710) 2.876 8.317 ( 0.000 -0.646 26.698) 26.706 8.353 ( 0.000 -8.021 -15.918) 17.824 8.737 ( 0.000 0.388 -12.190) 12.196 8.994 ( 0.000 -0.953 -17.547) 17.573 9.122 ( 0.000 1.962 5.498) 5.837 9.590 ( 0.000 -1.883 -0.647) 1.991 9.783 ( 0.000 -5.731 12.401) 13.661 10.104 ( 0.000 -0.353 7.964) 7.972 10.115 ( 0.000 -0.290 9.279) 9.284 10.598 ( 0.000 -0.546 3.425) 3.468 11.057 ( 0.000 7.749 6.410) 10.056 11.093 ( 0.000 -4.424 3.387) 5.572 11.378 ( 0.000 3.972 4.639) 6.107 11.766 ( 0.000 -0.006 1.118) 1.118 11.916 ( 0.000 0.481 1.835) 1.897 11.940 ( 0.000 -14.393 -1.346) 14.456 12.143 ( 0.000 -2.220 6.511) 6.879 12.693 ( 0.000 -0.365 -14.106) 14.111 12.812 ( 0.000 -0.623 -4.511) 4.554 13.191 ( 0.000 -2.308 2.107) 3.125 13.829 ( -0.000 6.062 11.501) 13.001 13.864 ( 0.000 1.322 -7.890) 8.000 13.889 ( 0.000 -0.607 9.542) 9.561 14.114 ( 0.000 6.238 -2.573) 6.748 14.388 ( 0.000 -2.719 -10.723) 11.062 14.496 ( -0.000 3.561 4.745) 5.933 14.803 ( 0.000 -5.689 -11.218) 12.578 15.456 ( 0.000 2.013 4.755) 5.164 15.746 ( 0.000 1.179 -16.639) 16.681 16.158 ( 0.000 -1.123 20.948) 20.978 16.554 ( -0.000 3.463 1.536) 3.788 16.942 ( 0.000 1.026 -40.459) 40.472 17.255 ( 0.000 8.490 8.573) 12.066 17.547 ( 0.000 -3.125 19.689) 19.935 18.062 ( 0.000 1.864 10.510) 10.674 18.290 ( 0.000 -11.500 -12.020) 16.635 18.961 ( 0.000 3.930 -3.428) 5.215 19.065 ( 0.000 -1.949 9.037) 9.245 19.163 ( 0.000 -2.279 -2.269) 3.216 19.229 ( 0.000 -1.085 -10.761) 10.816 19.518 ( 0.000 4.482 -3.316) 5.575 19.675 ( 0.000 -5.250 4.638) 7.005 19.816 ( 0.000 -0.825 2.300) 2.444 19.937 ( 0.000 -1.883 -4.749) 5.109 20.936 ( 0.000 10.826 5.198) 12.009 21.157 ( 0.000 -10.154 5.420) 11.510 21.663 ( 0.000 0.889 2.367) 2.528 22.342 ( 0.000 0.444 0.184) 0.481 22.479 ( 0.000 1.017 0.152) 1.028 22.663 ( 0.000 0.623 -1.113) 1.275 22.701 ( 0.000 0.816 2.809) 2.925 24.411 ( 0.000 -0.029 -16.912) 16.912 25.460 ( 0.000 -1.655 8.890) 9.043 25.863 ( 0.000 6.631 9.738) 11.781 26.793 ( 0.000 6.737 29.238) 30.004 26.904 ( 0.000 0.142 -31.712) 31.712 27.142 ( -0.000 1.223 -9.699) 9.776 28.064 ( 0.000 -4.420 0.120) 4.422 28.297 ( 0.000 -4.289 4.445) 6.176 28.627 ( 0.000 0.675 3.133) 3.205 28.743 ( 0.000 -2.835 5.368) 6.071 29.040 ( 0.000 -1.723 -1.621) 2.366 29.155 ( 0.000 -2.465 -4.083) 4.769 30.349 ( 0.000 6.659 -18.768) 19.915 31.081 ( 0.000 4.979 -6.498) 8.186 31.384 ( 0.000 -6.684 -20.924) 21.966 31.793 ( -0.000 -1.081 5.256) 5.366 32.518 ( 0.000 1.276 9.078) 9.167 32.603 ( 0.000 1.068 5.380) 5.485 33.012 ( 0.000 -1.717 -15.541) 15.636 33.117 ( 0.000 -1.621 -13.351) 13.449 37.750 ( 0.000 1.209 5.708) 5.834 37.834 ( 0.000 0.941 8.524) 8.576 37.864 ( -0.000 -5.107 4.699) 6.940 38.539 ( 0.000 -3.933 6.360) 7.478 40.037 ( 0.000 0.111 4.377) 4.379 40.107 ( 0.000 3.239 1.003) 3.390 40.163 ( 0.000 -0.107 1.265) 1.269 40.238 ( 0.000 -2.646 2.841) 3.883 41.123 ( 0.000 6.716 0.910) 6.777 41.314 ( 0.000 -6.840 -1.509) 7.004 41.466 ( -0.000 4.298 5.750) 7.179 41.587 ( 0.000 -1.774 0.864) 1.974 42.756 ( 0.000 -2.265 -0.293) 2.284 43.774 ( 0.000 3.310 18.764) 19.053 45.193 ( 0.000 1.359 -24.154) 24.192 45.312 ( 0.000 2.854 -15.927) 16.181 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 0.000 0.000 20.963) 20.963 2.625 ( 0.000 0.000 13.800) 13.800 3.270 ( 0.000 0.000 -35.976) 35.976 3.412 ( 0.000 0.000 7.967) 7.967 3.735 ( 0.000 0.000 -8.239) 8.239 3.987 ( 0.000 0.000 -8.266) 8.266 4.057 ( 0.000 0.000 30.776) 30.776 4.482 ( 0.000 0.000 32.073) 32.073 5.000 ( 0.000 0.000 -6.533) 6.533 5.230 ( 0.000 0.000 9.749) 9.749 5.496 ( 0.000 0.000 -0.397) 0.397 5.508 ( 0.000 0.000 3.388) 3.388 5.512 ( 0.000 0.000 -8.316) 8.316 5.819 ( 0.000 0.000 14.055) 14.055 6.039 ( 0.000 0.000 -18.116) 18.116 6.685 ( 0.000 0.000 -11.825) 11.825 7.143 ( 0.000 0.000 1.416) 1.416 7.191 ( 0.000 0.000 1.396) 1.396 7.244 ( 0.000 0.000 2.424) 2.424 7.608 ( 0.000 0.000 11.111) 11.111 7.871 ( 0.000 0.000 16.561) 16.561 7.892 ( 0.000 0.000 -5.687) 5.687 8.273 ( 0.000 0.000 11.492) 11.492 8.546 ( 0.000 0.000 -15.519) 15.519 8.870 ( 0.000 0.000 3.244) 3.244 9.321 ( 0.000 0.000 -14.633) 14.633 9.665 ( 0.000 0.000 -0.359) 0.359 9.680 ( 0.000 0.000 -8.602) 8.602 10.215 ( 0.000 0.000 7.640) 7.640 10.250 ( 0.000 0.000 8.075) 8.075 10.394 ( 0.000 0.000 4.502) 4.502 10.587 ( 0.000 0.000 -5.401) 5.401 11.518 ( 0.000 0.000 -4.276) 4.276 11.602 ( 0.000 0.000 -9.234) 9.234 11.797 ( 0.000 0.000 0.637) 0.637 11.878 ( 0.000 0.000 2.471) 2.471 12.686 ( 0.000 0.000 0.275) 0.275 12.804 ( 0.000 0.000 2.573) 2.573 12.909 ( 0.000 0.000 -4.336) 4.336 12.925 ( 0.000 0.000 -9.814) 9.814 13.216 ( 0.000 0.000 4.066) 4.066 13.257 ( 0.000 0.000 3.053) 3.053 13.481 ( 0.000 0.000 0.219) 0.219 13.504 ( 0.000 0.000 -2.541) 2.541 13.991 ( 0.000 0.000 6.186) 6.186 14.186 ( 0.000 0.000 -5.156) 5.156 14.588 ( 0.000 0.000 -2.201) 2.201 15.088 ( 0.000 0.000 -14.442) 14.442 15.092 ( 0.000 0.000 -1.108) 1.108 15.478 ( 0.000 0.000 13.141) 13.141 15.683 ( 0.000 0.000 -5.195) 5.195 15.949 ( 0.000 0.000 12.402) 12.402 17.109 ( 0.000 0.000 17.455) 17.455 17.621 ( 0.000 0.000 -23.264) 23.264 18.166 ( 0.000 0.000 7.700) 7.700 18.376 ( 0.000 0.000 -15.623) 15.623 18.665 ( 0.000 0.000 14.648) 14.648 18.722 ( 0.000 0.000 -1.898) 1.898 18.947 ( 0.000 0.000 4.943) 4.943 19.286 ( 0.000 0.000 3.303) 3.303 19.324 ( 0.000 0.000 -1.887) 1.887 19.324 ( 0.000 0.000 -7.874) 7.874 19.576 ( 0.000 0.000 10.321) 10.321 20.070 ( 0.000 0.000 -4.713) 4.713 20.486 ( 0.000 0.000 7.960) 7.960 20.833 ( 0.000 0.000 -7.260) 7.260 20.866 ( 0.000 0.000 -20.078) 20.078 20.917 ( 0.000 0.000 -10.560) 10.560 22.385 ( 0.000 0.000 3.928) 3.928 22.447 ( 0.000 0.000 4.443) 4.443 22.526 ( 0.000 0.000 -1.876) 1.876 22.644 ( 0.000 0.000 -1.978) 1.978 24.989 ( 0.000 0.000 0.427) 0.427 25.165 ( 0.000 0.000 40.050) 40.050 25.533 ( 0.000 0.000 13.528) 13.528 25.902 ( 0.000 0.000 -19.863) 19.863 27.572 ( 0.000 0.000 25.075) 25.075 27.664 ( 0.000 0.000 -29.512) 29.512 27.852 ( 0.000 0.000 8.189) 8.189 28.275 ( 0.000 0.000 -24.209) 24.209 28.835 ( 0.000 0.000 -1.332) 1.332 28.868 ( 0.000 0.000 -2.014) 2.014 28.895 ( 0.000 0.000 -1.715) 1.715 29.282 ( 0.000 0.000 -6.519) 6.519 30.082 ( 0.000 0.000 0.782) 0.782 31.061 ( 0.000 0.000 -17.021) 17.021 31.165 ( 0.000 0.000 15.106) 15.106 31.715 ( 0.000 0.000 3.339) 3.339 32.504 ( 0.000 0.000 -4.652) 4.652 32.537 ( 0.000 0.000 3.884) 3.884 32.827 ( 0.000 0.000 -8.565) 8.565 33.296 ( 0.000 0.000 -15.016) 15.016 38.023 ( 0.000 0.000 5.797) 5.797 38.056 ( 0.000 0.000 3.063) 3.063 38.291 ( 0.000 0.000 13.731) 13.731 39.249 ( 0.000 0.000 -9.815) 9.815 39.830 ( 0.000 0.000 4.347) 4.347 40.058 ( 0.000 0.000 2.271) 2.271 40.078 ( 0.000 0.000 -1.440) 1.440 40.357 ( 0.000 0.000 -2.179) 2.179 41.274 ( 0.000 0.000 7.392) 7.392 41.470 ( 0.000 0.000 2.634) 2.634 41.723 ( 0.000 0.000 -4.872) 4.872 41.829 ( 0.000 0.000 -1.406) 1.406 43.037 ( 0.000 0.000 11.221) 11.221 44.058 ( 0.000 0.000 -3.782) 3.782 44.178 ( 0.000 0.000 -7.647) 7.647 44.181 ( 0.000 0.000 -15.209) 15.209 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( -14.111 0.000 -12.208) 18.659 2.456 ( 3.926 0.000 27.421) 27.701 3.322 ( 4.145 0.000 6.771) 7.939 3.440 ( 0.353 0.000 12.359) 12.364 3.709 ( 1.524 0.000 -1.345) 2.033 3.946 ( -7.012 0.000 16.316) 17.759 4.245 ( 19.135 0.000 -22.129) 29.255 4.486 ( 0.921 0.000 34.779) 34.791 4.945 ( -3.342 0.000 -6.280) 7.114 5.149 ( -7.881 0.000 9.873) 12.633 5.331 ( -9.652 0.000 -1.080) 9.712 5.466 ( -3.570 0.000 0.965) 3.698 5.708 ( 7.065 0.000 -5.595) 9.012 5.797 ( -2.719 0.000 9.731) 10.104 5.953 ( -2.879 0.000 -17.425) 17.661 6.643 ( -4.409 0.000 -11.115) 11.957 7.045 ( -7.116 0.000 5.127) 8.770 7.109 ( -2.739 0.000 1.614) 3.179 7.438 ( 10.755 0.000 -2.059) 10.950 7.681 ( 2.611 0.000 12.994) 13.253 7.869 ( 4.422 0.000 9.331) 10.326 7.962 ( 5.875 0.000 -5.061) 7.755 8.380 ( 8.549 0.000 13.340) 15.845 8.538 ( 0.021 0.000 -13.434) 13.434 8.900 ( 2.861 0.000 1.713) 3.334 9.286 ( -3.482 0.000 -16.105) 16.477 9.632 ( -4.896 0.000 -9.579) 10.757 9.645 ( -2.792 0.000 -0.927) 2.942 10.130 ( -6.035 0.000 9.316) 11.100 10.172 ( -3.086 0.000 8.565) 9.103 10.533 ( 8.398 0.000 1.749) 8.578 10.640 ( 4.474 0.000 -5.016) 6.721 11.449 ( -3.545 0.000 -4.703) 5.889 11.698 ( 6.470 0.000 -5.862) 8.731 11.725 ( -4.971 0.000 4.092) 6.439 11.936 ( 3.222 0.000 -0.364) 3.243 12.676 ( -0.603 0.000 0.529) 0.802 12.765 ( -2.759 0.000 1.324) 3.060 12.929 ( 1.538 0.000 -3.844) 4.140 12.964 ( 2.564 0.000 -7.107) 7.555 13.204 ( -1.275 0.000 3.592) 3.812 13.219 ( -2.939 0.000 3.258) 4.388 13.481 ( 0.079 0.000 -0.935) 0.939 13.504 ( -0.233 0.000 -2.769) 2.778 13.995 ( 0.463 0.000 6.553) 6.570 14.158 ( -2.253 0.000 -1.146) 2.528 14.623 ( 2.567 0.000 -2.329) 3.467 14.968 ( -6.646 0.000 -5.459) 8.601 15.247 ( 9.758 0.000 -11.475) 15.063 15.391 ( -4.744 0.000 3.528) 5.912 15.711 ( 3.049 0.000 -6.591) 7.262 16.143 ( 15.328 0.000 18.660) 24.149 17.067 ( -4.075 0.000 18.648) 19.088 17.349 ( -23.099 0.000 -24.500) 33.673 18.163 ( 0.269 0.000 9.022) 9.026 18.441 ( 3.990 0.000 -5.669) 6.933 18.582 ( -6.107 0.000 7.803) 9.909 18.779 ( 4.585 0.000 -2.891) 5.420 19.046 ( 7.022 0.000 5.576) 8.967 19.207 ( -7.038 0.000 3.446) 7.836 19.265 ( -1.668 0.000 -6.491) 6.702 19.469 ( 10.041 0.000 -4.965) 11.201 19.597 ( 0.796 0.000 9.347) 9.381 20.003 ( -5.012 0.000 -4.199) 6.539 20.433 ( -3.976 0.000 4.422) 5.947 20.662 ( -8.863 0.000 -7.339) 11.507 21.014 ( 7.566 0.000 -10.121) 12.637 21.026 ( 7.711 0.000 -18.216) 19.781 22.396 ( 1.039 0.000 4.067) 4.197 22.446 ( -0.085 0.000 4.205) 4.205 22.539 ( 1.340 0.000 -1.250) 1.832 22.656 ( 0.823 0.000 -2.002) 2.164 24.970 ( -1.524 0.000 1.585) 2.199 25.087 ( -5.320 0.000 28.980) 29.464 25.713 ( 15.272 0.000 23.040) 27.642 25.990 ( 8.515 0.000 -20.600) 22.290 27.357 ( -16.372 0.000 26.902) 31.492 27.439 ( -18.329 0.000 -28.967) 34.279 28.013 ( 11.044 0.000 7.344) 13.263 28.434 ( 11.473 0.000 -21.416) 24.295 28.766 ( -5.345 0.000 1.574) 5.572 28.818 ( -4.047 0.000 -0.676) 4.103 28.925 ( 2.008 0.000 -6.681) 6.976 29.294 ( 0.349 0.000 -9.892) 9.898 30.103 ( 2.359 0.000 2.603) 3.513 30.968 ( -15.570 0.000 13.138) 20.372 31.157 ( 9.114 0.000 -17.233) 19.495 31.825 ( 6.441 0.000 2.289) 6.836 32.533 ( -0.371 0.000 4.270) 4.286 32.557 ( 5.434 0.000 -5.916) 8.033 32.753 ( -6.499 0.000 -5.682) 8.633 33.256 ( -3.926 0.000 -14.168) 14.702 37.983 ( -1.571 0.000 7.026) 7.200 38.152 ( 7.120 0.000 1.230) 7.226 38.221 ( -6.139 0.000 13.514) 14.843 39.134 ( -10.671 0.000 -9.167) 14.068 39.862 ( 3.139 0.000 4.143) 5.197 40.068 ( 0.937 0.000 2.806) 2.958 40.092 ( 1.432 0.000 -0.839) 1.659 40.369 ( 0.110 0.000 -0.821) 0.828 41.248 ( -2.439 0.000 7.402) 7.793 41.366 ( -8.838 0.000 4.016) 9.708 41.663 ( -4.524 0.000 -3.555) 5.754 41.811 ( -1.807 0.000 -1.244) 2.194 43.022 ( 1.917 0.000 15.876) 15.991 43.873 ( -11.911 0.000 0.044) 11.911 44.345 ( 10.051 0.000 -11.111) 14.982 44.388 ( 15.073 0.000 -21.077) 25.912 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.212 ( -6.667 0.000 -11.120) 12.965 2.452 ( -6.780 0.000 39.045) 39.629 3.378 ( -2.999 0.000 11.636) 12.017 3.389 ( 1.804 0.000 29.270) 29.325 3.817 ( 8.108 0.000 5.224) 9.645 3.924 ( 3.250 0.000 3.933) 5.102 4.536 ( 3.651 0.000 29.837) 30.060 4.562 ( 8.287 0.000 -17.377) 19.252 4.912 ( -0.676 0.000 -7.235) 7.267 4.964 ( -8.472 0.000 4.027) 9.380 5.196 ( 1.010 0.000 -0.520) 1.136 5.386 ( -3.817 0.000 -2.701) 4.675 5.590 ( -11.123 0.000 -6.370) 12.817 5.688 ( -8.554 0.000 2.172) 8.825 6.136 ( 13.631 0.000 -12.064) 18.203 6.515 ( -7.703 0.000 -8.696) 11.617 6.939 ( -2.768 0.000 6.530) 7.093 7.043 ( -4.023 0.000 3.408) 5.272 7.625 ( 7.955 0.000 -5.906) 9.908 7.723 ( 3.065 0.000 12.786) 13.148 7.965 ( 1.853 0.000 -8.496) 8.696 8.040 ( 0.089 0.000 -0.730) 0.736 8.580 ( 10.516 0.000 18.841) 21.577 8.595 ( 6.121 0.000 -9.549) 11.342 8.978 ( 4.872 0.000 -1.124) 5.000 9.192 ( -5.461 0.000 -17.680) 18.504 9.498 ( -7.447 0.000 -9.747) 12.266 9.533 ( -7.678 0.000 -1.705) 7.865 10.075 ( 0.138 0.000 8.146) 8.147 10.124 ( -1.660 0.000 8.766) 8.922 10.673 ( 5.396 0.000 -1.571) 5.620 10.725 ( 3.147 0.000 -4.546) 5.529 11.420 ( 1.104 0.000 1.211) 1.638 11.616 ( -5.975 0.000 7.211) 9.365 11.829 ( 6.311 0.000 -4.454) 7.725 11.971 ( 0.038 0.000 -2.606) 2.606 12.674 ( 0.374 0.000 1.189) 1.246 12.716 ( -1.959 0.000 1.498) 2.466 12.953 ( 0.881 0.000 -2.018) 2.202 12.996 ( 0.308 0.000 -3.709) 3.722 13.170 ( -1.650 0.000 2.048) 2.630 13.172 ( -1.408 0.000 2.146) 2.566 13.486 ( 0.344 0.000 -2.427) 2.451 13.495 ( -0.440 0.000 -3.006) 3.038 14.013 ( 1.427 0.000 7.167) 7.308 14.109 ( -2.655 0.000 4.469) 5.199 14.666 ( 1.916 0.000 -1.914) 2.708 14.831 ( -6.599 0.000 -3.652) 7.542 15.364 ( 1.887 0.000 -8.421) 8.630 15.419 ( 4.866 0.000 -15.465) 16.213 15.856 ( 13.635 0.000 -10.075) 16.953 16.452 ( 13.297 0.000 25.762) 28.991 16.832 ( -25.787 0.000 -25.378) 36.180 16.950 ( -7.560 0.000 21.030) 22.347 18.196 ( 3.220 0.000 10.848) 11.316 18.420 ( -6.544 0.000 16.593) 17.836 18.552 ( 4.638 0.000 -7.257) 8.612 18.832 ( -2.032 0.000 1.452) 2.497 19.066 ( -4.186 0.000 -2.885) 5.084 19.124 ( -0.557 0.000 -1.650) 1.742 19.292 ( 5.292 0.000 -3.925) 6.589 19.555 ( -5.201 0.000 4.186) 6.676 19.695 ( 11.463 0.000 -4.054) 12.159 19.943 ( -1.081 0.000 -2.827) 3.026 20.364 ( -2.210 0.000 2.639) 3.442 20.500 ( -7.331 0.000 -2.067) 7.617 21.150 ( 5.116 0.000 -13.069) 14.035 21.151 ( 4.632 0.000 -19.112) 19.665 22.420 ( 1.173 0.000 4.354) 4.509 22.444 ( -0.139 0.000 4.259) 4.261 22.577 ( 2.341 0.000 -0.492) 2.392 22.660 ( -0.751 0.000 -1.401) 1.590 24.945 ( -0.674 0.000 5.031) 5.076 24.998 ( -3.448 0.000 18.385) 18.705 26.074 ( 19.952 0.000 28.352) 34.668 26.223 ( 14.122 0.000 -22.486) 26.552 26.990 ( -19.688 0.000 31.080) 36.791 27.036 ( -20.631 0.000 -25.923) 33.131 28.231 ( 10.607 0.000 4.195) 11.406 28.579 ( -2.125 0.000 -7.407) 7.706 28.678 ( 0.321 0.000 -1.519) 1.553 28.746 ( -2.666 0.000 -0.494) 2.711 28.996 ( 5.963 0.000 -15.053) 16.191 29.265 ( -3.696 0.000 -15.022) 15.470 30.188 ( 6.468 0.000 6.168) 8.937 30.644 ( -15.749 0.000 11.271) 19.366 31.396 ( 13.935 0.000 -16.848) 21.864 31.858 ( -4.140 0.000 -6.003) 7.292 32.525 ( -0.318 0.000 5.207) 5.217 32.598 ( -5.188 0.000 0.655) 5.230 32.740 ( 9.804 0.000 -6.885) 11.980 33.140 ( -7.697 0.000 -11.964) 14.226 37.970 ( 0.351 0.000 8.846) 8.853 38.091 ( -6.008 0.000 12.471) 13.842 38.331 ( 10.795 0.000 -1.945) 10.969 38.870 ( -14.728 0.000 -7.392) 16.479 39.948 ( 5.044 0.000 3.508) 6.144 40.079 ( -0.377 0.000 3.191) 3.213 40.137 ( 3.075 0.000 0.838) 3.187 40.327 ( -4.384 0.000 1.674) 4.693 41.189 ( -3.058 0.000 7.408) 8.015 41.201 ( -5.977 0.000 6.310) 8.691 41.617 ( 0.647 0.000 -1.977) 2.080 41.756 ( -3.678 0.000 -1.077) 3.832 43.149 ( 9.787 0.000 15.599) 18.415 43.626 ( -12.629 0.000 5.647) 13.833 44.530 ( 8.077 0.000 -15.771) 17.719 44.618 ( 6.480 0.000 -23.311) 24.195 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( -2.893 0.000 20.248) 20.454 2.246 ( 2.893 0.000 20.248) 20.454 3.385 ( -0.289 0.000 18.634) 18.636 3.385 ( 0.289 0.000 18.634) 18.636 3.949 ( -0.357 0.000 10.853) 10.858 3.949 ( 0.357 0.000 10.853) 10.858 4.584 ( -0.085 0.000 6.737) 6.738 4.584 ( 0.085 0.000 6.737) 6.738 4.893 ( -0.033 0.000 -3.581) 3.581 4.893 ( 0.033 0.000 -3.581) 3.581 5.337 ( -1.124 0.000 -2.839) 3.053 5.337 ( 1.124 0.000 -2.839) 3.053 5.485 ( -2.466 0.000 -5.417) 5.952 5.485 ( 2.466 0.000 -5.417) 5.952 6.358 ( -6.916 0.000 -8.256) 10.770 6.358 ( 6.916 0.000 -8.256) 10.770 6.955 ( -3.685 0.000 5.263) 6.425 6.955 ( 3.685 0.000 5.263) 6.425 7.745 ( -0.226 0.000 -2.330) 2.341 7.745 ( 0.226 0.000 -2.330) 2.341 7.989 ( -0.430 0.000 -2.407) 2.446 7.989 ( 0.430 0.000 -2.407) 2.446 8.699 ( -0.120 0.000 6.082) 6.083 8.699 ( 0.120 0.000 6.082) 6.083 9.084 ( -1.920 0.000 -9.545) 9.736 9.084 ( 1.920 0.000 -9.545) 9.736 9.417 ( -0.206 0.000 -6.619) 6.622 9.417 ( 0.206 0.000 -6.619) 6.622 10.097 ( -0.521 0.000 7.619) 7.637 10.097 ( 0.521 0.000 7.619) 7.637 10.743 ( -0.257 0.000 -3.753) 3.761 10.743 ( 0.257 0.000 -3.753) 3.761 11.494 ( -1.232 0.000 6.986) 7.094 11.494 ( 1.232 0.000 6.986) 7.094 11.933 ( -3.646 0.000 -3.892) 5.333 11.933 ( 3.646 0.000 -3.892) 5.333 12.687 ( -0.050 0.000 1.676) 1.677 12.687 ( 0.050 0.000 1.676) 1.677 12.977 ( -0.195 0.000 -0.923) 0.943 12.977 ( 0.195 0.000 -0.923) 0.943 13.157 ( -0.007 0.000 0.493) 0.493 13.157 ( 0.007 0.000 0.493) 0.493 13.491 ( -0.000 0.000 -2.898) 2.898 13.491 ( 0.000 0.000 -2.898) 2.898 14.054 ( -0.418 0.000 7.030) 7.042 14.054 ( 0.418 0.000 7.030) 7.042 14.721 ( -0.576 0.000 -2.603) 2.666 14.721 ( 0.576 0.000 -2.603) 2.666 15.424 ( -1.801 0.000 -14.290) 14.403 15.424 ( 1.802 0.000 -14.290) 14.403 16.252 ( -23.555 0.000 -13.181) 26.992 16.252 ( 23.555 0.000 -13.181) 26.992 16.766 ( -9.860 0.000 19.371) 21.736 16.766 ( 9.860 0.000 19.371) 21.736 18.289 ( -2.145 0.000 12.542) 12.724 18.289 ( 2.145 0.000 12.542) 12.724 18.691 ( -7.151 0.000 2.556) 7.594 18.691 ( 7.151 0.000 2.556) 7.594 19.077 ( -2.011 0.000 -7.322) 7.593 19.077 ( 2.011 0.000 -7.322) 7.593 19.425 ( -6.394 0.000 -0.406) 6.407 19.425 ( 6.394 0.000 -0.406) 6.407 19.883 ( -6.131 0.000 -3.086) 6.864 19.883 ( 6.131 0.000 -3.086) 6.864 20.380 ( -0.898 0.000 1.746) 1.963 20.380 ( 0.898 0.000 1.746) 1.963 21.201 ( -0.006 0.000 -17.111) 17.111 21.201 ( 0.006 0.000 -17.111) 17.111 22.438 ( -0.584 0.000 4.478) 4.516 22.438 ( 0.584 0.000 4.478) 4.516 22.626 ( -1.969 0.000 -0.543) 2.042 22.626 ( 1.969 0.000 -0.543) 2.042 24.950 ( -0.040 0.000 10.660) 10.660 24.950 ( 0.040 0.000 10.660) 10.660 26.425 ( -1.074 0.000 5.759) 5.858 26.425 ( 1.074 0.000 5.759) 5.858 26.705 ( -1.013 0.000 1.488) 1.800 26.705 ( 1.013 0.000 1.488) 1.800 28.432 ( -7.258 0.000 1.565) 7.425 28.432 ( 7.258 0.000 1.565) 7.425 28.711 ( -0.735 0.000 -2.322) 2.435 28.711 ( 0.735 0.000 -2.322) 2.435 29.146 ( -5.775 0.000 -18.157) 19.054 29.146 ( 5.775 0.000 -18.157) 19.054 30.368 ( -3.792 0.000 9.202) 9.953 30.368 ( 3.792 0.000 9.202) 9.953 31.675 ( -9.330 0.000 -13.999) 16.823 31.675 ( 9.330 0.000 -13.999) 16.823 32.531 ( -0.666 0.000 5.375) 5.416 32.531 ( 0.666 0.000 5.375) 5.416 32.955 ( -9.719 0.000 -9.314) 13.461 32.955 ( 9.719 0.000 -9.314) 13.461 38.001 ( -2.827 0.000 10.684) 11.052 38.001 ( 2.827 0.000 10.684) 11.052 38.579 ( -7.524 0.000 -4.949) 9.006 38.579 ( 7.524 0.000 -4.949) 9.006 40.040 ( -2.026 0.000 2.907) 3.544 40.040 ( 2.026 0.000 2.907) 3.544 40.220 ( -5.151 0.000 2.488) 5.720 40.220 ( 5.151 0.000 2.488) 5.720 41.148 ( -0.012 0.000 7.205) 7.205 41.148 ( 0.012 0.000 7.205) 7.205 41.673 ( -3.637 0.000 -1.324) 3.871 41.673 ( 3.637 0.000 -1.324) 3.871 43.375 ( -4.613 0.000 11.225) 12.136 43.375 ( 4.613 0.000 11.225) 12.136 44.647 ( -1.133 0.000 -20.237) 20.269 44.647 ( 1.133 0.000 -20.237) 20.269 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 3.282 12.867) 13.279 2.501 ( 0.000 -8.033 29.850) 30.912 3.362 ( 0.000 8.346 -24.430) 25.816 3.405 ( 0.000 -9.000 -16.142) 18.482 3.589 ( 0.000 5.890 -8.194) 10.091 3.967 ( 0.000 -0.595 -6.760) 6.786 4.342 ( 0.000 14.093 16.417) 21.637 4.553 ( 0.000 5.822 28.018) 28.617 4.978 ( 0.000 -12.566 10.009) 16.065 5.205 ( 0.000 9.877 3.567) 10.501 5.285 ( 0.000 -15.020 -12.722) 19.684 5.581 ( 0.000 -0.408 -0.256) 0.482 5.638 ( 0.000 8.880 1.334) 8.980 5.818 ( 0.000 1.817 12.419) 12.552 6.036 ( 0.000 -0.120 -11.067) 11.068 6.557 ( 0.000 -10.820 -11.931) 16.107 7.097 ( 0.000 -1.148 -0.969) 1.502 7.237 ( 0.000 0.477 -0.260) 0.543 7.293 ( 0.000 0.145 9.715) 9.716 7.689 ( 0.000 6.507 9.917) 11.862 7.702 ( 0.000 -3.200 6.558) 7.297 7.959 ( 0.000 -19.587 -2.246) 19.716 8.058 ( 0.000 5.331 3.106) 6.169 8.625 ( 0.000 0.578 -1.167) 1.302 8.876 ( 0.000 2.465 2.211) 3.312 9.355 ( 0.000 0.660 -14.024) 14.040 9.654 ( 0.000 -1.678 -7.563) 7.747 9.690 ( 0.000 5.061 0.133) 5.063 10.231 ( 0.000 1.252 7.741) 7.842 10.331 ( 0.000 6.555 7.371) 9.864 10.368 ( 0.000 -2.708 3.518) 4.439 10.600 ( 0.000 0.683 -3.123) 3.196 11.500 ( 0.000 -1.786 0.107) 1.789 11.563 ( 0.000 -2.740 -4.820) 5.544 11.789 ( 0.000 -1.620 1.773) 2.401 11.938 ( 0.000 4.314 -1.005) 4.429 12.439 ( 0.000 -13.983 -5.513) 15.031 12.476 ( 0.000 -19.375 1.374) 19.424 12.973 ( 0.000 -4.492 -4.112) 6.090 13.092 ( 0.000 4.005 -3.274) 5.173 13.151 ( 0.000 -2.953 3.842) 4.846 13.345 ( 0.000 8.302 -0.649) 8.327 13.614 ( 0.000 12.404 1.921) 12.552 13.648 ( 0.000 12.630 -1.873) 12.768 14.053 ( 0.000 5.083 4.024) 6.483 14.199 ( 0.000 2.065 -5.502) 5.876 14.586 ( 0.000 0.548 -3.824) 3.863 15.106 ( 0.000 0.654 -12.963) 12.979 15.157 ( 0.000 5.206 0.909) 5.285 15.498 ( 0.000 3.072 12.541) 12.912 15.595 ( 0.000 -7.256 -2.639) 7.721 15.969 ( 0.000 0.900 9.824) 9.865 17.089 ( 0.000 -1.493 12.674) 12.761 17.603 ( 0.000 -1.861 -23.885) 23.958 18.196 ( 0.000 2.476 7.408) 7.811 18.261 ( 0.000 -7.796 -12.827) 15.010 18.618 ( 0.000 -4.744 11.337) 12.290 18.755 ( 0.000 -1.820 -1.184) 2.172 19.045 ( 0.000 10.740 4.028) 11.471 19.272 ( 0.000 -0.665 0.996) 1.197 19.318 ( 0.000 0.176 -5.368) 5.371 19.343 ( 0.000 1.550 1.160) 1.936 19.598 ( 0.000 1.662 9.178) 9.328 20.055 ( 0.000 -1.631 -2.375) 2.881 20.447 ( 0.000 -2.487 4.934) 5.526 20.688 ( 0.000 -9.223 -2.402) 9.531 20.960 ( 0.000 7.480 -15.469) 17.182 21.020 ( 0.000 5.379 -11.713) 12.889 22.384 ( 0.000 0.125 3.036) 3.038 22.435 ( 0.000 -1.206 4.344) 4.508 22.548 ( 0.000 1.954 -1.886) 2.715 22.654 ( 0.000 0.816 -1.832) 2.006 24.724 ( 0.000 -12.454 10.803) 16.487 25.489 ( 0.000 18.729 24.422) 30.777 25.521 ( 0.000 -1.818 4.382) 4.744 25.879 ( 0.000 -2.052 -12.040) 12.214 27.457 ( 0.000 -5.891 -2.635) 6.453 27.766 ( 0.000 -7.150 1.862) 7.389 27.820 ( 0.000 10.052 -1.361) 10.144 28.311 ( 0.000 1.334 -13.608) 13.673 28.715 ( 0.000 -6.647 -2.441) 7.081 28.878 ( 0.000 -0.699 -2.613) 2.705 28.969 ( 0.000 4.929 -0.192) 4.932 29.226 ( 0.000 -4.752 -4.054) 6.246 30.065 ( 0.000 -1.594 -2.137) 2.666 30.989 ( 0.000 -7.386 -18.102) 19.551 31.233 ( 0.000 6.571 12.931) 14.505 31.711 ( 0.000 -0.511 2.732) 2.779 32.505 ( 0.000 0.124 -4.272) 4.274 32.525 ( 0.000 -0.730 1.171) 1.380 32.863 ( 0.000 3.090 -6.103) 6.840 33.264 ( 0.000 -3.097 -13.533) 13.883 37.990 ( 0.000 -3.146 6.466) 7.190 38.010 ( 0.000 -3.983 4.905) 6.319 38.307 ( 0.000 1.206 11.594) 11.656 39.089 ( 0.000 -14.861 -4.043) 15.401 39.837 ( 0.000 0.772 2.727) 2.834 40.029 ( 0.000 -2.950 -2.846) 4.099 40.092 ( 0.000 3.351 3.456) 4.814 40.392 ( 0.000 2.205 -0.976) 2.411 41.216 ( 0.000 -5.603 7.571) 9.418 41.415 ( 0.000 -5.193 1.788) 5.492 41.739 ( 0.000 1.865 -2.066) 2.783 41.848 ( 0.000 1.561 -0.089) 1.563 42.967 ( 0.000 -2.769 10.878) 11.225 43.870 ( 0.000 -15.215 -9.885) 18.145 44.361 ( 0.000 23.522 -12.060) 26.433 44.490 ( 0.000 15.245 -12.637) 19.802 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 2.044 2.633 20.175) 20.449 2.627 ( -2.375 10.697 4.432) 11.820 2.899 ( -10.518 -19.740 1.914) 22.449 3.575 ( -1.294 -0.453 -3.082) 3.373 3.692 ( 6.734 0.630 -0.708) 6.800 4.152 ( -7.441 13.173 14.029) 20.633 4.266 ( 16.423 3.236 -13.420) 21.454 4.520 ( -0.850 2.771 13.623) 13.928 4.965 ( -3.767 -11.983 9.414) 15.698 5.066 ( -5.662 4.878 -0.370) 7.483 5.397 ( 2.252 -2.283 -2.760) 4.231 5.471 ( -7.643 5.684 2.605) 9.875 5.723 ( 5.005 1.522 -5.098) 7.305 5.797 ( -2.085 0.912 7.753) 8.080 5.980 ( -3.176 3.195 -11.441) 12.296 6.470 ( -5.946 -13.148 -8.861) 16.934 7.112 ( -3.422 -0.264 2.284) 4.122 7.190 ( -3.085 2.241 2.966) 4.830 7.330 ( 4.414 2.636 4.482) 6.821 7.649 ( 1.292 -7.938 6.529) 10.359 7.866 ( 4.595 -11.017 4.118) 12.627 7.945 ( 6.256 6.640 1.665) 9.274 8.193 ( 10.777 -5.289 -1.532) 12.103 8.646 ( 0.827 3.099 1.785) 3.670 8.890 ( 1.661 -0.390 0.121) 1.711 9.333 ( -2.322 1.681 -12.653) 12.974 9.584 ( -5.596 -1.002 -6.569) 8.687 9.704 ( -0.127 5.531 -2.648) 6.134 10.157 ( -4.758 1.329 8.044) 9.440 10.224 ( -3.515 4.331 8.675) 10.313 10.523 ( 6.944 -0.959 0.308) 7.017 10.673 ( 6.332 2.943 -2.313) 7.355 11.400 ( -6.077 -2.505 -0.196) 6.576 11.638 ( 3.677 -4.798 -0.894) 6.111 11.777 ( -0.182 0.790 1.592) 1.787 11.964 ( 1.545 2.576 -1.569) 3.389 12.417 ( -0.732 -13.973 -1.530) 14.075 12.530 ( 3.691 -17.962 -0.246) 18.339 12.887 ( -5.963 -5.908 -2.562) 8.777 13.115 ( -1.327 -4.274 -0.980) 4.581 13.162 ( 2.086 5.873 -0.486) 6.251 13.337 ( 0.030 8.354 -0.274) 8.358 13.582 ( -2.514 12.564 0.503) 12.823 13.674 ( 1.383 12.104 -2.062) 12.356 14.025 ( -2.194 3.089 4.770) 6.092 14.206 ( 0.857 4.038 -2.284) 4.718 14.582 ( -1.484 -1.468 -1.365) 2.493 15.020 ( -4.003 2.398 -6.318) 7.854 15.282 ( 7.939 2.460 -9.143) 12.356 15.409 ( -3.905 2.291 2.272) 5.066 15.662 ( 4.677 -3.431 -3.438) 6.743 16.146 ( 14.860 0.107 16.681) 22.340 17.015 ( -8.456 -4.189 7.232) 11.890 17.382 ( -16.935 2.733 -17.546) 24.538 18.158 ( -1.972 -0.891 8.348) 8.624 18.396 ( 7.928 -4.103 -9.217) 12.832 18.533 ( -4.794 -3.080 11.036) 12.420 18.823 ( 3.613 0.188 -2.668) 4.496 19.074 ( 2.805 3.510 5.066) 6.772 19.209 ( -6.012 1.035 2.570) 6.620 19.262 ( -2.244 0.186 -4.950) 5.438 19.429 ( 4.435 -2.359 -0.885) 5.101 19.637 ( 3.585 2.330 6.270) 7.589 20.015 ( -3.148 1.005 -1.838) 3.781 20.347 ( -6.678 -6.952 3.664) 10.312 20.669 ( -3.090 -0.730 -3.115) 4.448 21.008 ( 6.517 3.543 -11.746) 13.892 21.129 ( 6.775 5.829 -14.992) 17.454 22.394 ( 0.898 -0.087 3.304) 3.425 22.438 ( 0.244 -0.881 4.184) 4.283 22.555 ( 0.803 1.495 -1.433) 2.221 22.666 ( 0.825 0.887 -1.869) 2.227 24.687 ( -3.249 -13.163 9.253) 16.414 25.417 ( -2.392 16.988 13.817) 22.028 25.671 ( 10.004 -3.056 11.670) 15.672 25.996 ( 11.076 0.250 -8.289) 13.837 27.305 ( -13.470 -3.234 -2.082) 14.008 27.490 ( -17.064 3.452 1.645) 17.487 28.016 ( 10.192 -0.404 1.481) 10.307 28.415 ( 7.515 -1.694 -12.635) 14.798 28.682 ( -2.766 -5.488 0.193) 6.149 28.868 ( -1.043 2.943 -4.764) 5.696 28.960 ( -0.512 3.180 -3.254) 4.578 29.234 ( 0.664 -5.443 -5.202) 7.558 30.062 ( -0.099 -3.162 -0.544) 3.210 31.049 ( -10.685 5.185 6.122) 13.361 31.091 ( 6.085 -4.866 -13.706) 15.765 31.815 ( 5.924 -0.868 1.603) 6.198 32.502 ( 0.230 -1.382 0.173) 1.412 32.573 ( 4.504 0.491 -2.946) 5.404 32.797 ( -5.776 3.791 -4.123) 8.046 33.228 ( -3.659 -2.835 -12.744) 13.558 37.958 ( -1.234 -2.349 7.523) 7.977 38.068 ( 3.291 -6.304 4.843) 8.604 38.252 ( -4.171 1.329 9.814) 10.746 39.002 ( -8.004 -12.077 -4.766) 15.253 39.873 ( 3.432 1.080 2.851) 4.590 40.041 ( 1.695 -1.484 -0.571) 2.324 40.123 ( 2.136 2.603 2.386) 4.126 40.384 ( -1.258 1.100 -0.138) 1.677 41.183 ( -3.146 -5.232 7.843) 9.939 41.384 ( -2.379 -0.725 2.248) 3.352 41.666 ( -6.304 1.419 -1.443) 6.621 41.813 ( -3.135 0.333 -0.405) 3.179 42.960 ( 1.465 -3.732 12.806) 13.419 43.851 ( -3.370 -5.128 -1.567) 6.333 44.421 ( 6.013 13.058 -17.431) 22.595 44.590 ( 7.801 13.186 -16.082) 22.211 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.217 ( -20.173 -2.623 3.828) 20.700 2.510 ( 3.010 8.345 24.109) 25.690 3.150 ( 19.204 -9.265 18.607) 28.300 3.425 ( -10.678 -3.517 11.872) 16.350 3.778 ( -0.019 -0.197 6.738) 6.741 4.024 ( 0.182 5.759 6.657) 8.804 4.434 ( -4.001 -5.415 1.031) 6.812 4.664 ( 9.614 4.235 -4.814) 11.556 4.888 ( -2.697 -3.685 0.472) 4.590 5.033 ( 5.883 4.413 -4.502) 8.623 5.327 ( -6.084 9.211 2.804) 11.389 5.376 ( -1.911 1.222 -2.322) 3.246 5.617 ( -9.565 4.249 2.279) 10.712 5.786 ( -3.670 7.682 -2.105) 8.770 6.071 ( 10.360 -6.094 -15.847) 19.890 6.363 ( -4.866 -12.491 -9.186) 16.251 7.016 ( -4.515 -2.967 6.887) 8.753 7.111 ( -3.965 12.573 8.035) 15.439 7.373 ( -0.533 -9.593 -2.831) 10.016 7.737 ( 6.295 -5.718 5.317) 10.030 7.883 ( -0.165 -12.481 4.384) 13.229 8.140 ( 8.028 10.418 -6.463) 14.654 8.448 ( 12.959 -6.944 -3.120) 15.029 8.640 ( -0.383 2.245 8.245) 8.553 8.923 ( 0.622 -5.616 -6.160) 8.359 9.260 ( -4.996 1.647 -4.420) 6.871 9.475 ( -3.718 2.877 -8.798) 9.975 9.673 ( -2.654 10.771 -5.255) 12.275 10.112 ( -0.292 2.830 7.185) 7.728 10.174 ( -1.392 4.468 8.726) 9.901 10.630 ( 3.879 -2.716 -1.964) 5.127 10.791 ( 4.231 4.873 -2.874) 7.065 11.306 ( -2.806 -4.888 4.828) 7.421 11.672 ( -0.048 -2.940 6.468) 7.106 11.816 ( 3.947 -0.081 -2.068) 4.456 11.966 ( -1.639 0.072 -2.622) 3.093 12.419 ( 0.714 -12.516 1.836) 12.670 12.595 ( 2.149 -15.699 1.249) 15.895 12.788 ( -3.093 -9.438 -3.345) 10.480 13.065 ( -2.844 -5.411 2.240) 6.510 13.182 ( -0.006 5.856 -4.390) 7.319 13.371 ( 3.016 10.765 0.085) 11.179 13.515 ( -3.916 12.942 -0.505) 13.530 13.692 ( 0.605 10.348 -2.875) 10.757 13.986 ( -1.452 0.871 7.234) 7.430 14.233 ( 1.679 7.650 1.821) 8.041 14.512 ( -4.587 -7.028 -1.355) 8.501 14.967 ( -1.707 5.716 -3.270) 6.803 15.359 ( 1.918 -0.986 -9.026) 9.280 15.447 ( 3.359 2.883 -10.609) 11.496 15.827 ( 13.772 -1.852 -11.115) 17.794 16.456 ( 12.297 0.569 21.901) 25.123 16.716 ( -17.558 -6.556 -13.725) 23.230 17.090 ( -12.172 9.357 7.651) 17.153 18.126 ( -0.856 -5.898 11.498) 12.951 18.441 ( -3.432 0.711 13.094) 13.554 18.539 ( 5.809 -1.323 -3.896) 7.118 18.857 ( -2.053 1.643 0.518) 2.680 19.053 ( -3.103 -1.938 -1.187) 3.846 19.157 ( -1.237 3.357 -3.564) 5.050 19.244 ( 2.822 -3.643 -3.417) 5.737 19.453 ( -2.390 -6.263 2.240) 7.068 19.743 ( 6.862 1.642 0.022) 7.056 19.962 ( -2.435 1.442 -1.538) 3.221 20.248 ( -2.877 -8.283 3.619) 9.486 20.603 ( -2.818 6.932 -0.547) 7.503 21.151 ( 6.495 2.966 -14.439) 16.108 21.233 ( 3.134 5.086 -16.092) 17.165 22.415 ( 1.102 -0.466 4.055) 4.228 22.442 ( 0.027 -0.271 3.811) 3.821 22.583 ( 1.933 0.693 -0.784) 2.198 22.669 ( -0.736 0.972 -1.284) 1.771 24.619 ( -2.998 -14.702 7.286) 16.680 25.395 ( -0.225 21.213 11.626) 24.190 25.893 ( 11.294 -12.419 6.703) 18.076 26.285 ( 16.900 1.632 -2.969) 17.236 26.994 ( -15.789 1.241 -3.896) 16.309 27.132 ( -18.126 8.111 10.481) 22.454 28.209 ( 8.820 -3.877 -0.619) 9.654 28.516 ( 0.924 -3.778 -5.597) 6.815 28.635 ( -0.447 -3.295 0.591) 3.377 28.806 ( -5.013 4.508 -2.722) 7.271 29.007 ( 5.350 0.974 -12.445) 13.582 29.233 ( -1.296 -3.461 -8.581) 9.343 30.068 ( 0.676 -7.749 3.201) 8.411 30.795 ( -10.709 11.398 8.448) 17.776 31.314 ( 12.693 -8.361 -18.164) 23.685 31.843 ( -3.576 -1.197 -5.964) 7.056 32.514 ( 0.986 0.096 3.805) 3.932 32.638 ( -3.403 2.519 2.462) 4.898 32.747 ( 6.819 1.012 -6.934) 9.778 33.119 ( -7.106 -2.073 -10.696) 13.007 37.950 ( 0.554 -1.943 8.843) 9.071 38.064 ( -3.909 -2.986 10.596) 11.682 38.246 ( 4.312 -6.839 0.981) 8.144 38.812 ( -9.680 -5.559 -5.986) 12.667 39.962 ( 4.963 1.480 2.761) 5.869 40.093 ( 2.921 0.787 2.057) 3.659 40.154 ( 1.071 1.773 1.906) 2.815 40.325 ( -4.673 0.027 1.309) 4.853 41.119 ( -2.433 -2.882 7.934) 8.785 41.322 ( -4.048 6.880 4.444) 9.136 41.577 ( -0.620 -3.295 -0.839) 3.456 41.737 ( -4.319 -1.593 -0.801) 4.672 43.042 ( 5.426 -7.872 11.673) 15.089 43.748 ( -5.638 8.721 8.114) 13.179 44.552 ( 5.932 3.601 -21.730) 22.811 44.720 ( 4.116 8.279 -18.748) 20.904 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.14 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( 0.000 -11.185 26.253) 28.536 2.541 ( 0.000 15.802 13.111) 20.533 3.267 ( 0.000 -5.553 19.570) 20.342 3.478 ( -0.000 4.160 17.635) 18.119 3.681 ( 0.000 -12.312 9.410) 15.496 4.067 ( 0.000 1.934 6.433) 6.717 4.368 ( 0.000 -7.027 -3.102) 7.681 4.702 ( 0.000 0.033 0.685) 0.686 4.888 ( 0.000 3.002 -4.978) 5.813 5.171 ( 0.000 15.541 -1.746) 15.639 5.238 ( 0.000 -6.383 -1.963) 6.678 5.386 ( 0.000 -0.773 -7.723) 7.762 5.495 ( 0.000 10.725 9.384) 14.251 5.711 ( 0.000 14.019 -9.134) 16.732 6.225 ( 0.000 -8.746 -7.178) 11.315 6.281 ( -0.000 -12.384 -17.956) 21.812 6.969 ( 0.000 -2.510 9.219) 9.555 7.063 ( 0.000 14.151 9.185) 16.870 7.359 ( 0.000 -15.660 -6.897) 17.112 7.832 ( 0.000 -5.415 3.047) 6.213 7.861 ( -0.000 -9.393 9.759) 13.545 8.215 ( 0.000 13.241 -12.152) 17.972 8.608 ( 0.000 -11.021 -8.716) 14.051 8.643 ( 0.000 1.767 17.623) 17.712 8.922 ( 0.000 -10.090 -15.016) 18.091 9.180 ( 0.000 1.603 3.755) 4.082 9.452 ( 0.000 6.787 -8.161) 10.614 9.634 ( 0.000 15.074 -7.483) 16.830 10.114 ( 0.000 3.126 7.790) 8.394 10.163 ( 0.000 4.464 6.627) 7.990 10.671 ( 0.000 -3.201 -2.554) 4.095 10.830 ( 0.000 4.654 -3.239) 5.670 11.284 ( 0.000 -5.933 8.151) 10.082 11.666 ( 0.000 0.082 9.649) 9.649 11.896 ( -0.000 -0.890 -2.070) 2.253 11.911 ( 0.000 -2.551 -4.318) 5.015 12.430 ( 0.000 -11.857 3.392) 12.332 12.609 ( 0.000 -13.264 1.925) 13.403 12.767 ( 0.000 -11.778 -4.243) 12.519 13.030 ( 0.000 -6.213 2.789) 6.810 13.180 ( 0.000 4.924 -4.859) 6.918 13.431 ( 0.000 18.926 5.315) 19.658 13.446 ( -0.000 6.804 -5.961) 9.046 13.699 ( 0.000 9.289 -2.961) 9.750 13.971 ( 0.000 0.103 8.350) 8.351 14.256 ( 0.000 11.534 4.788) 12.488 14.454 ( 0.000 -11.818 -4.741) 12.733 14.948 ( 0.000 7.137 -0.684) 7.169 15.399 ( 0.000 -0.857 -15.456) 15.480 15.460 ( 0.000 1.555 -8.079) 8.227 16.183 ( 0.000 -2.238 -5.677) 6.102 16.223 ( -0.000 -4.944 -26.406) 26.864 16.780 ( -0.000 2.546 27.369) 27.488 16.875 ( 0.000 8.713 9.280) 12.729 18.123 ( 0.000 -8.845 11.621) 14.605 18.395 ( 0.000 2.989 14.926) 15.223 18.641 ( -0.000 -2.972 1.843) 3.497 18.765 ( 0.000 4.007 1.691) 4.349 19.063 ( 0.000 0.223 -3.853) 3.860 19.110 ( -0.000 1.000 -10.875) 10.921 19.317 ( 0.000 -7.368 -3.574) 8.189 19.392 ( 0.000 -3.559 3.546) 5.024 19.871 ( 0.000 -0.271 -2.247) 2.263 19.889 ( 0.000 -0.843 -0.358) 0.916 20.224 ( 0.000 -7.754 3.901) 8.680 20.572 ( 0.000 10.679 1.302) 10.758 21.234 ( 0.000 5.590 -19.688) 20.466 21.250 ( 0.000 2.367 -13.145) 13.356 22.430 ( 0.000 -1.005 5.357) 5.450 22.440 ( 0.000 0.361 2.787) 2.810 22.617 ( 0.000 -0.135 -0.940) 0.950 22.648 ( -0.000 1.485 -0.350) 1.526 24.586 ( 0.000 -15.508 6.638) 16.869 25.394 ( 0.000 22.857 11.017) 25.374 26.036 ( 0.000 -18.708 2.584) 18.886 26.569 ( 0.000 -6.116 -2.939) 6.786 26.759 ( 0.000 11.088 -9.163) 14.384 26.882 ( 0.000 12.661 22.313) 25.655 28.325 ( 0.000 -8.020 -3.541) 8.767 28.482 ( 0.000 0.420 1.088) 1.166 28.673 ( 0.000 -1.869 0.195) 1.879 28.719 ( -0.000 1.461 -4.112) 4.364 29.096 ( 0.000 -1.512 -14.708) 14.785 29.196 ( 0.000 0.492 -10.871) 10.883 30.078 ( 0.000 -11.465 5.682) 12.796 30.678 ( 0.000 14.487 7.260) 16.204 31.496 ( 0.000 -12.309 -17.817) 21.655 31.751 ( -0.000 2.147 -10.771) 10.983 32.535 ( 0.000 1.700 4.917) 5.203 32.577 ( 0.000 3.260 5.136) 6.083 32.901 ( 0.000 -3.045 -8.603) 9.126 32.981 ( 0.000 0.255 -8.369) 8.373 37.975 ( -0.000 -2.467 9.587) 9.899 37.998 ( 0.000 -0.413 10.630) 10.638 38.316 ( 0.000 -14.446 -0.503) 14.455 38.691 ( -0.000 0.773 -6.796) 6.840 40.030 ( 0.000 1.288 2.329) 2.662 40.115 ( 0.000 3.997 2.843) 4.905 40.199 ( 0.000 -1.420 5.042) 5.238 40.233 ( -0.000 0.979 -0.820) 1.277 41.097 ( 0.000 -1.243 7.979) 8.075 41.268 ( 0.000 7.692 5.532) 9.474 41.609 ( 0.000 -5.373 -0.018) 5.373 41.665 ( 0.000 -1.428 -1.703) 2.223 43.110 ( 0.000 -11.785 9.288) 15.005 43.680 ( 0.000 15.359 12.665) 19.907 44.620 ( 0.000 0.395 -24.765) 24.768 44.754 ( 0.000 7.175 -17.101) 18.545 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( 0.000 7.339 17.458) 18.938 2.526 ( 0.000 5.924 -1.091) 6.024 3.259 ( 0.000 -2.849 -18.265) 18.485 3.515 ( 0.000 5.228 -1.750) 5.513 3.838 ( 0.000 16.402 -15.921) 22.858 4.037 ( 0.000 8.973 -8.654) 12.466 4.495 ( 0.000 0.851 -5.653) 5.717 4.637 ( 0.000 0.788 21.167) 21.182 4.699 ( 0.000 -11.264 15.858) 19.452 4.945 ( 0.000 -18.859 -24.292) 30.753 5.324 ( 0.000 -1.407 10.542) 10.635 5.514 ( 0.000 -6.147 -3.359) 7.005 5.714 ( 0.000 1.280 7.359) 7.470 6.000 ( 0.000 13.376 3.232) 13.760 6.006 ( 0.000 -5.172 0.210) 5.177 6.340 ( 0.000 -8.851 -11.726) 14.692 7.050 ( 0.000 -6.439 4.176) 7.675 7.104 ( 0.000 -13.374 -4.717) 14.182 7.318 ( 0.000 6.594 11.018) 12.841 7.560 ( 0.000 -8.035 5.399) 9.681 7.782 ( 0.000 8.981 4.316) 9.964 7.986 ( 0.000 10.909 2.511) 11.194 8.110 ( 0.000 1.989 0.530) 2.059 8.545 ( 0.000 -7.574 -0.259) 7.578 9.011 ( 0.000 11.078 3.228) 11.539 9.341 ( 0.000 -0.170 -8.659) 8.660 9.646 ( 0.000 1.354 -7.790) 7.906 9.837 ( 0.000 6.862 3.262) 7.598 10.229 ( 0.000 -2.102 8.463) 8.720 10.279 ( 0.000 -6.608 1.478) 6.772 10.459 ( 0.000 6.141 6.931) 9.261 10.603 ( 0.000 -0.140 0.355) 0.382 11.403 ( 0.000 -8.608 9.031) 12.476 11.501 ( 0.000 -4.871 2.271) 5.374 11.774 ( 0.000 2.059 -0.223) 2.071 11.955 ( 0.000 -4.627 -2.411) 5.217 12.201 ( 0.000 -5.246 -2.402) 5.769 12.262 ( 0.000 -4.819 -8.112) 9.436 12.832 ( 0.000 -7.352 -4.072) 8.405 12.999 ( 0.000 -7.663 -1.685) 7.846 13.214 ( 0.000 5.328 3.828) 6.561 13.455 ( 0.000 2.477 -1.184) 2.746 13.863 ( 0.000 10.268 5.109) 11.469 13.874 ( 0.000 7.971 -1.511) 8.113 14.177 ( 0.000 8.582 1.113) 8.654 14.291 ( 0.000 7.129 -4.837) 8.615 14.622 ( 0.000 2.703 -6.169) 6.735 15.040 ( 0.000 -8.578 -6.439) 10.726 15.249 ( 0.000 4.325 5.590) 7.068 15.479 ( 0.000 -3.526 -6.916) 7.763 15.621 ( 0.000 8.916 8.911) 12.605 15.964 ( 0.000 -1.347 10.489) 10.575 17.085 ( 0.000 2.054 0.392) 2.091 17.539 ( 0.000 -5.212 -25.244) 25.777 18.141 ( 0.000 -4.249 -7.869) 8.943 18.221 ( 0.000 -1.330 9.096) 9.193 18.510 ( 0.000 -4.539 2.505) 5.184 18.663 ( 0.000 -6.019 -0.581) 6.047 19.239 ( 0.000 5.828 0.883) 5.895 19.275 ( 0.000 0.958 -0.554) 1.106 19.373 ( 0.000 6.175 0.864) 6.235 19.379 ( 0.000 2.196 4.739) 5.223 19.630 ( 0.000 2.058 8.551) 8.795 19.999 ( 0.000 -4.490 1.747) 4.818 20.427 ( 0.000 0.523 4.308) 4.340 20.535 ( 0.000 -5.681 4.808) 7.442 21.082 ( 0.000 3.943 -8.862) 9.700 21.093 ( 0.000 2.011 -10.299) 10.493 22.391 ( 0.000 0.415 1.451) 1.509 22.407 ( 0.000 -1.335 3.513) 3.758 22.590 ( 0.000 2.226 -1.801) 2.863 22.667 ( 0.000 0.252 -1.444) 1.466 24.619 ( 0.000 2.430 0.883) 2.585 25.415 ( 0.000 -10.201 -14.740) 17.926 25.784 ( 0.000 10.733 19.855) 22.571 25.855 ( 0.000 0.425 5.360) 5.377 27.390 ( 0.000 -0.780 -11.024) 11.052 27.624 ( 0.000 -6.863 -5.133) 8.570 28.009 ( 0.000 8.782 8.449) 12.187 28.273 ( 0.000 -4.399 2.241) 4.937 28.616 ( 0.000 -2.568 -2.023) 3.269 28.900 ( 0.000 1.831 -1.266) 2.226 29.042 ( 0.000 2.580 1.108) 2.808 29.118 ( 0.000 -6.039 -4.716) 7.663 30.059 ( 0.000 2.598 -7.537) 7.972 30.781 ( 0.000 -13.600 -20.186) 24.340 31.389 ( 0.000 8.640 7.840) 11.667 31.692 ( 0.000 -1.615 1.644) 2.305 32.510 ( 0.000 0.437 -3.522) 3.549 32.519 ( 0.000 0.101 -2.061) 2.064 32.928 ( 0.000 3.383 -3.269) 4.705 33.184 ( 0.000 -4.884 -9.837) 10.983 37.921 ( 0.000 -3.395 7.621) 8.343 37.930 ( 0.000 -3.750 6.796) 7.762 38.332 ( 0.000 1.632 8.879) 9.028 38.771 ( 0.000 -15.638 3.000) 15.923 39.862 ( 0.000 1.792 0.188) 1.802 39.988 ( 0.000 -1.733 -3.878) 4.247 40.180 ( 0.000 5.460 4.912) 7.344 40.420 ( 0.000 0.501 0.706) 0.866 41.097 ( 0.000 -5.269 6.998) 8.760 41.288 ( 0.000 -7.396 0.942) 7.456 41.791 ( 0.000 3.080 1.432) 3.397 41.874 ( 0.000 0.840 1.928) 2.103 42.996 ( 0.000 5.331 5.998) 8.025 43.592 ( 0.000 -13.334 -7.463) 15.280 44.755 ( 0.000 11.652 -14.081) 18.277 44.764 ( 0.000 15.668 -18.389) 24.159 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( -2.754 1.805 17.422) 17.731 2.675 ( 11.065 4.804 -6.209) 13.567 2.942 ( -17.197 13.905 -10.391) 24.434 3.544 ( -4.588 -0.292 1.127) 4.733 3.727 ( 0.672 3.511 1.737) 3.974 4.301 ( 2.756 2.327 5.886) 6.904 4.347 ( -5.830 1.940 1.263) 6.273 4.581 ( 5.551 2.144 -5.844) 8.340 4.767 ( 0.939 -5.377 3.162) 6.308 4.990 ( 2.659 -9.948 -15.051) 18.236 5.323 ( -0.240 -4.983 4.676) 6.837 5.502 ( -0.229 -4.629 -4.750) 6.637 5.741 ( 1.834 0.420 4.343) 4.733 5.930 ( -6.387 10.122 0.761) 11.993 6.025 ( 1.315 -2.181 -1.985) 3.229 6.224 ( -8.413 -8.191 -8.920) 14.746 6.949 ( -4.971 -11.998 2.897) 13.306 7.260 ( 1.779 4.553 4.960) 6.964 7.362 ( 10.629 -6.198 3.753) 12.864 7.562 ( -0.493 -7.140 9.383) 11.801 7.709 ( -3.895 11.769 2.685) 12.684 8.090 ( 4.815 1.139 -8.902) 10.185 8.177 ( 9.209 5.274 5.396) 11.905 8.611 ( 5.072 -6.565 0.851) 8.340 8.966 ( -4.446 9.434 2.502) 10.725 9.336 ( -1.062 0.765 -4.751) 4.928 9.592 ( -4.878 0.712 -6.797) 8.397 9.852 ( 1.779 7.103 1.467) 7.468 10.148 ( -2.654 -2.230 8.366) 9.055 10.282 ( -1.021 0.325 5.650) 5.750 10.513 ( 3.681 0.563 0.361) 3.741 10.731 ( 9.872 2.516 0.777) 10.217 11.369 ( -3.133 -3.675 7.668) 9.062 11.486 ( -1.203 -7.821 4.297) 9.005 11.777 ( 0.580 0.838 -0.629) 1.197 11.968 ( 1.094 -4.473 -1.341) 4.796 12.225 ( 1.996 -6.621 -3.824) 7.902 12.272 ( 0.838 -5.093 -1.832) 5.477 12.748 ( -6.659 -6.411 -3.822) 10.003 12.974 ( -2.794 -8.265 -1.364) 8.830 13.252 ( 2.133 3.597 2.916) 5.098 13.462 ( 1.571 3.587 -3.328) 5.139 13.845 ( -1.154 11.187 3.804) 11.872 13.879 ( -0.251 7.693 -1.147) 7.782 14.122 ( -3.950 7.032 2.346) 8.400 14.305 ( 0.506 6.598 -3.572) 7.520 14.610 ( -2.317 3.531 -0.783) 4.296 14.991 ( -2.740 -6.273 -5.672) 8.890 15.267 ( 0.819 -3.168 2.716) 4.252 15.480 ( 2.549 4.204 -10.642) 11.723 15.671 ( 3.870 4.570 -1.589) 6.196 16.144 ( 15.895 -0.235 17.952) 23.979 16.952 ( -13.399 -1.412 -9.557) 16.519 17.439 ( -6.932 3.054 -11.890) 14.098 18.115 ( -4.766 -3.804 5.893) 8.480 18.276 ( 5.142 -8.334 -3.517) 10.405 18.503 ( 0.947 0.371 4.857) 4.963 18.752 ( 6.662 -5.650 -3.052) 9.253 19.132 ( -7.937 1.689 6.273) 10.257 19.262 ( -2.928 2.029 -2.811) 4.537 19.312 ( -2.914 6.116 1.447) 6.928 19.406 ( -0.200 0.105 3.611) 3.618 19.665 ( 3.071 1.019 4.907) 5.878 20.016 ( 0.969 -2.201 1.784) 2.994 20.200 ( -11.711 -7.042 6.891) 15.304 20.686 ( 5.575 3.853 -0.694) 6.812 21.070 ( 4.126 0.842 -6.812) 8.009 21.236 ( 7.888 4.879 -12.234) 15.353 22.390 ( 0.111 -0.606 2.944) 3.008 22.422 ( 1.114 -0.342 2.134) 2.432 22.591 ( 0.257 2.052 -1.557) 2.589 22.683 ( 1.173 0.588 -1.513) 2.003 24.537 ( -6.873 -2.078 0.794) 7.224 25.493 ( 6.691 -6.976 -12.765) 16.012 25.769 ( 0.536 10.528 15.721) 18.928 25.997 ( 11.593 -0.026 7.046) 13.567 27.253 ( -11.509 -2.054 -13.423) 17.800 27.568 ( -7.996 4.719 9.157) 13.041 27.971 ( 1.247 -3.891 -0.509) 4.117 28.390 ( 7.138 -0.782 0.211) 7.184 28.593 ( -1.595 -2.414 0.311) 2.909 28.933 ( 2.814 2.762 -5.213) 6.536 29.020 ( -3.549 2.217 -1.549) 4.462 29.104 ( 0.368 -7.015 -0.030) 7.025 30.038 ( -1.829 2.133 -6.969) 7.514 30.875 ( 8.640 -13.372 -20.522) 25.973 31.218 ( -12.056 7.745 5.997) 15.534 31.798 ( 5.349 -0.772 0.270) 5.411 32.495 ( 0.689 0.466 -0.951) 1.263 32.577 ( 3.885 0.024 -2.594) 4.671 32.875 ( -4.651 3.996 -2.489) 6.618 33.153 ( -3.074 -4.560 -9.307) 10.810 37.905 ( -0.691 -2.706 8.233) 8.693 37.949 ( 1.153 -5.267 5.932) 8.016 38.266 ( -5.721 0.442 8.210) 10.017 38.746 ( -2.550 -12.423 0.735) 12.703 39.903 ( 3.882 1.826 0.652) 4.339 40.021 ( 3.122 -0.844 -2.114) 3.864 40.189 ( 0.636 4.028 4.527) 6.092 40.401 ( -2.105 0.411 0.914) 2.331 41.085 ( -0.795 -3.851 6.965) 7.999 41.307 ( 1.993 -6.311 1.014) 6.696 41.717 ( -6.342 2.706 1.069) 6.978 41.831 ( -4.885 1.590 1.212) 5.279 42.927 ( -3.466 0.190 6.927) 7.748 43.722 ( 9.472 -6.473 -2.107) 11.664 44.697 ( -2.520 12.390 -18.080) 22.062 44.834 ( 3.453 10.760 -17.029) 20.438 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.137 ( -24.099 -1.905 11.306) 26.687 2.771 ( 4.545 15.441 3.194) 16.410 3.118 ( 20.939 4.202 8.478) 22.978 3.346 ( -11.089 -2.290 7.235) 13.437 3.783 ( -0.584 0.261 5.689) 5.725 4.116 ( -8.337 2.460 12.983) 15.624 4.320 ( -2.863 -5.040 -0.912) 5.868 4.698 ( 0.466 -2.311 -0.883) 2.517 4.859 ( 7.723 3.023 -8.411) 11.812 5.053 ( 4.765 -2.428 -7.635) 9.321 5.318 ( 0.967 -1.603 -8.605) 8.806 5.517 ( -0.850 1.509 -4.778) 5.083 5.705 ( -6.588 2.804 6.199) 9.471 5.816 ( -0.043 -7.058 -15.494) 17.026 6.024 ( -4.735 -2.038 -9.554) 10.856 6.127 ( 1.187 -1.974 -7.364) 7.716 6.883 ( -1.624 -6.566 9.354) 11.544 7.208 ( -4.056 -4.703 4.562) 7.706 7.499 ( -4.367 0.553 10.022) 10.946 7.568 ( 4.586 2.801 10.713) 11.985 7.728 ( 6.086 4.470 -0.863) 7.600 8.216 ( 8.125 -7.547 -12.487) 16.701 8.363 ( 6.811 3.034 -4.846) 8.892 8.684 ( 1.358 -5.044 3.780) 6.448 8.858 ( -5.006 6.746 2.650) 8.808 9.263 ( -5.810 0.854 2.763) 6.490 9.539 ( 0.489 1.522 -5.880) 6.093 9.888 ( 1.224 8.860 -1.120) 9.014 10.154 ( 2.363 1.359 6.054) 6.639 10.259 ( -1.214 2.815 7.160) 7.789 10.586 ( 3.212 -1.621 -1.662) 3.964 10.894 ( 5.093 5.671 -1.492) 7.767 11.313 ( -1.317 3.624 7.274) 8.233 11.463 ( -1.058 -12.733 8.077) 15.116 11.805 ( 2.251 -1.702 -1.236) 3.081 11.980 ( -0.516 -0.427 1.586) 1.721 12.266 ( 1.883 -8.373 -3.243) 9.174 12.290 ( 0.932 -8.787 6.560) 11.005 12.622 ( -5.134 -6.971 -5.333) 10.168 12.899 ( -3.919 -8.686 -0.679) 9.553 13.262 ( -0.647 1.588 1.074) 2.023 13.529 ( 4.150 4.928 -7.695) 10.036 13.817 ( -1.607 14.065 5.163) 15.069 13.865 ( -0.787 7.832 -2.330) 8.209 14.057 ( -2.283 5.379 5.363) 7.932 14.304 ( -0.337 1.518 -3.616) 3.936 14.522 ( -5.180 5.882 3.534) 8.598 14.957 ( -1.272 -7.145 -1.113) 7.343 15.315 ( 4.557 -2.608 -5.968) 7.949 15.527 ( -0.307 5.266 -6.552) 8.411 15.819 ( 12.448 0.199 -18.974) 22.693 16.489 ( 9.204 3.078 14.142) 17.151 16.623 ( -9.898 -3.025 -10.212) 14.540 17.287 ( -9.586 11.419 3.539) 15.324 18.007 ( -4.208 -5.907 11.945) 13.975 18.356 ( 2.024 -11.089 -3.976) 11.952 18.530 ( 1.182 1.003 12.757) 12.851 18.870 ( 2.430 -0.546 -2.824) 3.766 18.982 ( -3.568 -3.675 1.828) 5.439 19.185 ( -4.919 -0.582 -6.010) 7.788 19.272 ( -0.237 6.008 0.278) 6.019 19.374 ( -2.413 -1.557 4.134) 5.034 19.746 ( 5.006 -0.608 2.175) 5.492 19.975 ( -5.515 -0.652 0.695) 5.597 20.070 ( -1.327 -9.239 6.050) 11.123 20.757 ( 2.491 9.230 -0.049) 9.560 21.192 ( 6.125 -0.575 -7.557) 9.744 21.359 ( 3.878 7.440 -15.861) 17.944 22.396 ( 0.384 -1.433 4.203) 4.457 22.444 ( 0.983 0.618 1.219) 1.683 22.604 ( 1.053 1.395 -1.383) 2.229 22.695 ( -0.143 1.521 -1.095) 1.879 24.403 ( -5.521 -7.595 0.868) 9.430 25.640 ( 7.177 -6.358 -6.507) 11.588 25.793 ( 1.068 12.530 12.084) 17.441 26.273 ( 14.749 -2.075 1.083) 14.934 27.001 ( -12.206 -0.977 -14.179) 18.734 27.343 ( -12.188 13.089 22.733) 28.925 28.058 ( 5.507 -10.036 -7.784) 13.844 28.459 ( -0.813 -3.678 -1.443) 4.034 28.601 ( 3.341 1.185 2.485) 4.329 28.887 ( -6.910 2.590 -2.553) 7.808 29.024 ( 4.077 0.558 -7.617) 8.657 29.131 ( 1.404 -5.991 1.718) 6.389 29.997 ( -1.949 1.422 -5.627) 6.122 30.996 ( -7.249 7.770 3.239) 11.109 31.088 ( 9.367 -13.286 -19.781) 25.604 31.822 ( -2.509 -0.820 -5.694) 6.276 32.539 ( 3.119 2.137 2.927) 4.782 32.662 ( 2.875 -0.033 1.545) 3.264 32.789 ( -1.477 3.128 -4.617) 5.770 33.063 ( -5.792 -3.550 -7.873) 10.399 37.902 ( 0.377 -2.814 8.097) 8.580 37.974 ( 1.326 -5.348 6.318) 8.383 38.145 ( -5.569 -2.903 6.040) 8.713 38.680 ( -3.353 -7.125 -3.245) 8.517 40.001 ( 5.406 2.295 1.606) 6.089 40.099 ( 4.235 0.027 1.529) 4.502 40.193 ( -0.416 1.823 3.200) 3.707 40.333 ( -4.499 0.642 0.981) 4.649 41.082 ( 0.683 -0.473 6.677) 6.728 41.369 ( 3.969 -3.935 1.570) 5.806 41.565 ( -7.813 3.413 1.353) 8.633 41.711 ( -5.976 -0.798 0.312) 6.037 42.909 ( 0.850 -5.299 8.195) 9.795 43.882 ( 5.785 4.678 7.779) 10.764 44.658 ( -1.418 6.124 -24.160) 24.965 44.885 ( 1.567 7.750 -16.780) 18.550 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.29 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.857 ( 0.000 -1.862 23.950) 24.022 2.825 ( 0.000 12.258 7.055) 14.143 3.216 ( 0.000 0.272 4.835) 4.843 3.532 ( -0.000 -3.407 1.459) 3.706 3.567 ( 0.000 5.640 20.138) 20.913 4.056 ( 0.000 -2.819 7.409) 7.928 4.297 ( 0.000 -0.334 -1.459) 1.497 4.678 ( 0.000 -1.508 0.006) 1.508 4.957 ( 0.000 2.802 -5.709) 6.359 5.115 ( 0.000 -5.002 -1.721) 5.290 5.380 ( 0.000 7.054 -12.535) 14.384 5.409 ( -0.000 1.577 -11.561) 11.668 5.665 ( 0.000 5.354 13.908) 14.904 5.874 ( -0.000 -26.432 -30.949) 40.700 5.908 ( 0.000 -0.423 -5.017) 5.035 6.161 ( 0.000 8.917 -13.838) 16.462 6.869 ( 0.000 -4.167 12.636) 13.306 7.158 ( 0.000 -8.505 5.291) 10.016 7.447 ( 0.000 3.699 8.612) 9.372 7.596 ( 0.000 4.174 13.645) 14.269 7.815 ( 0.000 3.195 -0.334) 3.212 8.341 ( 0.000 -14.889 -11.411) 18.759 8.409 ( -0.000 5.657 -12.845) 14.036 8.678 ( 0.000 -8.596 -0.765) 8.630 8.815 ( 0.000 9.467 9.856) 13.666 9.187 ( 0.000 0.406 4.575) 4.593 9.557 ( 0.000 2.645 -4.936) 5.600 9.898 ( 0.000 9.532 -1.594) 9.664 10.197 ( 0.000 4.337 5.511) 7.013 10.235 ( -0.000 2.096 5.585) 5.965 10.622 ( 0.000 -1.790 -1.989) 2.676 10.935 ( 0.000 7.160 -1.415) 7.299 11.313 ( 0.000 7.668 7.154) 10.487 11.449 ( 0.000 -16.091 10.121) 19.009 11.842 ( 0.000 -4.267 -2.251) 4.824 11.959 ( 0.000 4.245 4.838) 6.436 12.290 ( 0.000 -3.269 4.056) 5.209 12.301 ( 0.000 -17.133 3.303) 17.449 12.566 ( 0.000 -8.463 -6.627) 10.749 12.853 ( 0.000 -8.404 -0.628) 8.427 13.252 ( 0.000 0.950 -0.153) 0.963 13.579 ( 0.000 4.783 -11.210) 12.188 13.796 ( 0.000 15.819 7.820) 17.646 13.857 ( 0.000 8.727 -2.234) 9.009 14.033 ( 0.000 4.784 6.087) 7.742 14.300 ( 0.000 -3.655 -4.861) 6.081 14.461 ( 0.000 8.707 3.945) 9.559 14.941 ( 0.000 -7.870 2.751) 8.336 15.396 ( 0.000 0.669 -16.078) 16.091 15.490 ( 0.000 2.266 1.036) 2.491 16.094 ( 0.000 -7.425 -32.655) 33.488 16.225 ( -0.000 5.671 -14.074) 15.173 16.827 ( 0.000 1.808 27.797) 27.855 17.102 ( 0.000 14.815 6.073) 16.012 17.970 ( 0.000 -6.388 12.503) 14.040 18.364 ( 0.000 -9.603 1.659) 9.745 18.548 ( 0.000 -4.369 17.160) 17.707 18.831 ( 0.000 2.676 -1.724) 3.183 19.054 ( 0.000 -4.767 -11.069) 12.052 19.075 ( -0.000 0.302 -2.015) 2.038 19.287 ( 0.000 4.151 -6.115) 7.390 19.337 ( 0.000 -1.273 8.449) 8.545 19.852 ( 0.000 -2.781 2.673) 3.858 19.865 ( -0.000 -0.472 0.163) 0.499 20.061 ( 0.000 -8.462 4.733) 9.695 20.785 ( 0.000 10.978 1.454) 11.074 21.262 ( 0.000 -1.625 -7.937) 8.102 21.394 ( 0.000 9.224 -18.412) 20.593 22.401 ( 0.000 -1.744 4.694) 5.008 22.455 ( 0.000 1.122 0.928) 1.456 22.621 ( 0.000 0.491 -1.631) 1.703 22.687 ( 0.000 2.477 -0.392) 2.508 24.344 ( 0.000 -9.559 0.933) 9.604 25.733 ( 0.000 -11.858 -2.257) 12.071 25.795 ( 0.000 17.329 9.498) 19.761 26.472 ( 0.000 -3.791 -6.405) 7.443 26.846 ( -0.000 0.141 -12.988) 12.988 27.191 ( 0.000 16.757 29.169) 33.640 28.127 ( 0.000 -10.906 -9.547) 14.495 28.432 ( 0.000 -4.842 -0.980) 4.940 28.670 ( 0.000 1.283 3.398) 3.632 28.784 ( -0.000 3.850 -1.993) 4.335 29.076 ( 0.000 -0.905 -8.855) 8.901 29.144 ( 0.000 -5.098 1.214) 5.240 29.975 ( 0.000 1.119 -4.733) 4.863 30.913 ( 0.000 9.413 4.132) 10.280 31.211 ( 0.000 -16.039 -21.745) 27.020 31.773 ( 0.000 0.410 -8.356) 8.366 32.589 ( 0.000 3.472 4.145) 5.407 32.646 ( 0.000 3.505 4.847) 5.982 32.842 ( 0.000 -2.969 -7.162) 7.753 32.966 ( 0.000 -1.597 -6.606) 6.797 37.909 ( 0.000 -3.834 7.326) 8.269 37.994 ( 0.000 0.210 9.756) 9.758 38.077 ( 0.000 -9.344 2.447) 9.659 38.642 ( 0.000 -4.595 -5.069) 6.842 40.074 ( 0.000 2.987 2.029) 3.611 40.154 ( 0.000 -0.406 5.336) 5.351 40.187 ( 0.000 0.614 2.634) 2.705 40.261 ( 0.000 1.534 -1.402) 2.079 41.096 ( 0.000 1.393 6.451) 6.600 41.424 ( 0.000 7.597 3.867) 8.525 41.475 ( 0.000 -8.024 0.488) 8.039 41.635 ( 0.000 -1.460 -0.516) 1.548 42.923 ( 0.000 -7.305 8.288) 11.047 43.941 ( 0.000 10.788 13.291) 17.118 44.643 ( 0.000 1.509 -28.400) 28.440 44.900 ( 0.000 6.997 -16.068) 17.525 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.000 4.457 -11.252) 12.103 2.650 ( 0.000 4.702 -10.065) 11.109 3.354 ( 0.000 12.036 -2.736) 12.343 3.538 ( 0.000 -3.493 6.842) 7.682 4.157 ( 0.000 13.257 -14.939) 19.973 4.246 ( 0.000 7.028 -9.887) 12.130 4.403 ( 0.000 -1.753 -8.994) 9.163 4.498 ( 0.000 -11.348 -7.563) 13.637 4.619 ( 0.000 -2.052 7.215) 7.501 4.665 ( 0.000 -8.711 -4.086) 9.621 5.250 ( 0.000 -1.801 5.673) 5.952 5.344 ( 0.000 -9.960 -4.606) 10.973 5.748 ( 0.000 2.509 3.356) 4.191 5.839 ( 0.000 -7.848 1.022) 7.914 6.203 ( 0.000 6.695 4.345) 7.981 6.269 ( 0.000 -1.092 1.100) 1.549 6.891 ( 0.000 -5.287 -1.499) 5.496 6.911 ( 0.000 -5.837 4.180) 7.179 7.451 ( 0.000 4.435 5.307) 6.916 7.493 ( 0.000 -1.213 3.716) 3.909 7.983 ( 0.000 10.032 3.051) 10.485 8.102 ( 0.000 -0.503 4.027) 4.058 8.201 ( 0.000 7.644 -0.453) 7.658 8.373 ( 0.000 -9.297 -2.195) 9.553 9.251 ( 0.000 11.100 1.780) 11.242 9.356 ( 0.000 -0.043 -5.297) 5.297 9.719 ( 0.000 6.477 -4.380) 7.819 9.867 ( 0.000 -5.094 5.780) 7.704 10.149 ( 0.000 -4.055 3.955) 5.664 10.161 ( 0.000 -3.708 9.101) 9.828 10.556 ( 0.000 3.554 4.973) 6.112 10.596 ( 0.000 -0.840 1.987) 2.157 11.274 ( 0.000 -1.768 11.075) 11.215 11.354 ( 0.000 -8.382 8.481) 11.924 11.838 ( 0.000 2.847 -1.520) 3.228 11.873 ( 0.000 -1.876 -1.683) 2.521 12.189 ( 0.000 0.711 -7.792) 7.824 12.206 ( 0.000 -1.479 -7.886) 8.024 12.755 ( 0.000 0.428 -4.801) 4.820 12.843 ( 0.000 -7.477 -3.468) 8.242 13.341 ( 0.000 7.009 5.272) 8.770 13.447 ( 0.000 -3.164 1.842) 3.661 13.962 ( 0.000 2.424 2.946) 3.815 13.975 ( 0.000 1.763 6.084) 6.335 14.359 ( 0.000 8.080 0.319) 8.086 14.413 ( 0.000 3.202 -0.727) 3.284 14.680 ( 0.000 3.740 -8.327) 9.129 14.822 ( 0.000 -11.220 -6.471) 12.952 15.340 ( 0.000 4.963 2.896) 5.746 15.425 ( 0.000 -3.305 -5.309) 6.254 15.797 ( 0.000 8.104 8.829) 11.984 15.915 ( 0.000 -3.987 10.959) 11.662 17.191 ( 0.000 8.787 -13.860) 16.411 17.389 ( 0.000 -9.986 -23.393) 25.436 18.098 ( 0.000 -0.046 -1.001) 1.002 18.144 ( 0.000 -4.559 6.584) 8.008 18.490 ( 0.000 1.873 -1.677) 2.514 18.555 ( 0.000 -4.634 -1.172) 4.779 19.293 ( 0.000 1.109 -2.844) 3.053 19.296 ( 0.000 0.743 -2.699) 2.799 19.427 ( 0.000 2.531 8.316) 8.692 19.457 ( 0.000 0.572 8.068) 8.088 19.719 ( 0.000 7.334 5.651) 9.258 19.875 ( 0.000 -7.827 3.818) 8.708 20.453 ( 0.000 1.537 7.660) 7.813 20.475 ( 0.000 -1.161 9.454) 9.525 21.108 ( 0.000 0.059 -7.054) 7.055 21.111 ( 0.000 -0.143 -5.095) 5.097 22.393 ( 0.000 -0.136 1.642) 1.648 22.395 ( 0.000 -0.071 0.697) 0.701 22.631 ( 0.000 1.888 -1.435) 2.372 22.660 ( 0.000 -0.966 -1.208) 1.547 24.802 ( 0.000 14.959 -11.777) 19.039 25.134 ( 0.000 -17.382 -19.145) 25.858 25.888 ( 0.000 2.136 12.497) 12.678 25.901 ( 0.000 1.815 15.768) 15.872 27.419 ( 0.000 3.382 -12.869) 13.306 27.506 ( 0.000 -5.279 -10.178) 11.465 28.135 ( 0.000 3.948 11.315) 11.984 28.193 ( 0.000 -3.177 9.270) 9.799 28.654 ( 0.000 6.785 1.013) 6.860 28.833 ( 0.000 -9.201 4.276) 10.146 29.060 ( 0.000 0.537 -4.671) 4.701 29.070 ( 0.000 0.255 0.356) 0.438 30.202 ( 0.000 11.868 -15.468) 19.496 30.484 ( 0.000 -15.986 -20.248) 25.798 31.542 ( 0.000 6.625 3.534) 7.509 31.642 ( 0.000 -3.698 1.538) 4.005 32.519 ( 0.000 0.397 -3.177) 3.202 32.523 ( 0.000 0.067 -3.162) 3.163 32.998 ( 0.000 3.997 -3.106) 5.062 33.086 ( 0.000 -4.954 -5.729) 7.574 37.874 ( 0.000 -1.206 8.027) 8.117 37.877 ( 0.000 -1.532 7.683) 7.834 38.386 ( 0.000 4.423 7.011) 8.290 38.521 ( 0.000 -9.764 5.606) 11.259 39.903 ( 0.000 2.320 -1.623) 2.832 39.949 ( 0.000 -2.267 -3.013) 3.771 40.295 ( 0.000 6.049 4.957) 7.821 40.394 ( 0.000 -3.490 3.154) 4.703 41.057 ( 0.000 1.637 3.972) 4.296 41.146 ( 0.000 -6.694 1.422) 6.843 41.845 ( 0.000 2.277 3.070) 3.822 41.875 ( 0.000 -0.735 3.128) 3.214 43.146 ( 0.000 9.449 0.584) 9.467 43.351 ( 0.000 -11.506 -3.940) 12.162 44.926 ( 0.000 5.453 -16.066) 16.966 44.949 ( 0.000 3.665 -18.203) 18.568 ======================= Grid point 169 (62/96) ======================= q-point: ( 0.17 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.539 ( -9.130 2.357 -11.961) 15.231 2.833 ( 12.382 6.586 -7.326) 15.823 3.143 ( -11.672 4.657 0.538) 12.578 3.626 ( 1.524 7.863 3.261) 8.648 3.827 ( -16.290 4.558 -2.553) 17.107 4.238 ( -5.995 -4.593 13.539) 15.503 4.352 ( -5.442 -1.750 -0.963) 5.797 4.535 ( 8.051 -5.110 -9.226) 13.268 4.718 ( 10.942 -2.663 -21.176) 23.985 4.920 ( 8.763 6.012 -5.504) 11.968 5.162 ( -2.292 -11.925 -0.346) 12.149 5.390 ( 1.618 -3.247 -5.499) 6.588 5.738 ( -0.945 -0.696 3.677) 3.860 5.891 ( 4.789 -4.848 -2.889) 7.402 6.065 ( -12.436 2.930 -3.332) 13.204 6.216 ( -3.537 2.019 4.972) 6.427 6.774 ( -1.117 -4.628 4.720) 6.704 7.165 ( 8.624 -4.833 5.947) 11.537 7.406 ( -4.064 2.521 4.993) 6.914 7.482 ( 2.371 -1.411 0.582) 2.820 7.940 ( -0.462 6.556 2.648) 7.086 8.137 ( -2.117 5.874 -4.280) 7.570 8.252 ( 7.853 0.096 0.819) 7.896 8.469 ( 6.854 -5.642 -1.492) 9.001 9.191 ( -5.537 10.128 6.354) 13.176 9.385 ( 2.050 3.330 -3.159) 5.027 9.582 ( -10.137 -1.969 -1.092) 10.384 9.920 ( 3.638 0.232 5.283) 6.419 10.103 ( 1.553 -1.257 8.824) 9.048 10.230 ( 1.284 -3.994 3.138) 5.239 10.535 ( 0.655 0.881 1.081) 1.541 10.766 ( 11.967 1.013 1.847) 12.151 11.255 ( -0.992 -3.244 10.896) 11.412 11.400 ( 3.400 -3.532 8.047) 9.423 11.807 ( -2.505 1.443 -2.119) 3.585 11.865 ( -0.319 -3.012 -0.460) 3.064 12.165 ( -1.182 -1.021 -8.125) 8.274 12.244 ( 1.864 0.065 -1.640) 2.484 12.681 ( -6.576 -0.304 -4.025) 7.716 12.821 ( -2.291 -6.192 -3.629) 7.534 13.322 ( -2.009 2.879 5.759) 6.745 13.486 ( 3.738 -0.266 -2.890) 4.732 13.950 ( -0.677 1.968 3.109) 3.741 13.996 ( 1.696 3.083 6.013) 6.967 14.267 ( -5.762 5.676 1.737) 8.273 14.436 ( -1.097 5.490 -2.162) 6.002 14.677 ( -1.108 3.007 -2.557) 4.099 14.799 ( -2.049 -10.394 -5.142) 11.776 15.235 ( -2.954 -0.232 3.386) 4.499 15.550 ( 7.763 2.290 -17.466) 19.251 15.757 ( -2.246 2.740 0.014) 3.543 16.138 ( 18.304 -0.275 22.448) 28.966 16.961 ( -17.276 1.297 -22.550) 28.437 17.499 ( 6.061 2.630 -11.138) 12.950 17.999 ( -7.286 -6.451 2.834) 10.136 18.149 ( -1.058 -2.977 2.166) 3.830 18.530 ( 2.938 1.593 3.788) 5.052 18.658 ( 8.808 -3.151 -4.623) 10.435 19.155 ( -10.142 0.719 7.033) 12.363 19.284 ( -4.164 0.416 -5.109) 6.604 19.395 ( -2.093 1.516 8.018) 8.424 19.442 ( -1.926 2.422 3.337) 4.550 19.712 ( 0.403 4.379 5.291) 6.880 19.898 ( 0.107 -7.912 3.895) 8.819 20.126 ( -11.688 -1.082 8.058) 14.238 20.803 ( 12.571 6.224 2.063) 14.179 21.030 ( 0.560 -3.806 -4.203) 5.698 21.299 ( 10.247 1.488 -7.549) 12.815 22.377 ( -0.473 -0.399 2.037) 2.129 22.423 ( 1.681 0.178 0.433) 1.745 22.626 ( -0.127 1.262 -1.572) 2.020 22.685 ( 1.973 -0.186 -1.125) 2.279 24.568 ( -15.113 2.987 -8.166) 17.436 25.344 ( 12.269 -5.918 -20.554) 24.658 25.920 ( 4.645 5.101 14.074) 15.674 25.987 ( 7.405 -1.487 12.038) 14.211 27.226 ( -12.497 -0.688 -13.680) 18.541 27.648 ( 6.648 2.435 -6.088) 9.338 27.909 ( -11.159 -1.601 14.154) 18.095 28.367 ( 6.133 -1.226 2.067) 6.587 28.623 ( -1.212 4.549 3.777) 6.035 28.868 ( 1.778 -7.840 2.992) 8.578 29.020 ( -1.625 0.581 -4.535) 4.852 29.078 ( -0.285 1.132 1.136) 1.628 30.151 ( -3.563 7.491 -13.854) 16.147 30.608 ( 10.244 -11.580 -21.781) 26.710 31.329 ( -12.345 3.120 2.704) 13.017 31.787 ( 5.450 -0.309 -0.472) 5.479 32.508 ( 1.479 0.541 -1.220) 1.992 32.576 ( 3.213 -0.052 -2.293) 3.948 32.951 ( -4.263 3.584 -2.539) 6.121 33.063 ( -2.346 -4.174 -5.801) 7.522 37.866 ( -0.466 -0.923 7.802) 7.871 37.877 ( 0.076 -2.074 6.834) 7.143 38.278 ( -7.934 0.688 7.080) 10.656 38.564 ( 1.707 -5.442 2.943) 6.418 39.935 ( 3.492 1.211 -1.151) 3.871 40.003 ( 4.594 -0.834 -1.490) 4.902 40.272 ( -2.052 3.908 5.207) 6.826 40.385 ( -1.271 -1.947 2.770) 3.616 41.066 ( 1.429 2.049 3.854) 4.593 41.175 ( 2.585 -6.327 1.527) 7.003 41.750 ( -6.267 0.732 2.146) 6.665 41.862 ( -4.440 1.083 2.367) 5.147 42.943 ( -9.348 0.791 2.596) 9.734 43.630 ( 17.142 -2.588 -0.725) 17.351 44.866 ( -4.686 4.603 -18.865) 19.975 44.976 ( 1.264 3.530 -16.590) 17.008 ======================= Grid point 170 (63/96) ======================= q-point: ( 0.33 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( -22.755 2.999 3.477) 23.213 3.004 ( 1.620 7.739 1.459) 8.040 3.142 ( 8.373 -2.975 -3.307) 9.481 3.442 ( -5.409 8.617 2.312) 10.434 3.812 ( 3.076 3.831 6.770) 8.365 4.040 ( -12.063 -8.228 15.513) 21.304 4.320 ( 1.481 2.887 -1.465) 3.560 4.642 ( 2.421 -1.336 -6.153) 6.746 4.932 ( 9.035 -2.399 -10.665) 14.182 4.992 ( 1.477 3.910 -6.242) 7.512 5.192 ( 3.542 -13.266 -20.068) 24.315 5.442 ( 4.737 -1.035 -10.962) 11.986 5.695 ( -6.387 -1.427 -2.710) 7.083 5.790 ( -10.733 1.473 -1.623) 10.954 5.909 ( -5.063 -3.051 -3.847) 7.053 6.271 ( 10.381 6.454 -3.073) 12.604 6.812 ( 3.863 -1.265 9.772) 10.584 7.103 ( -9.408 -3.433 7.326) 12.409 7.267 ( -8.922 -8.593 9.447) 15.579 7.724 ( 15.885 2.817 -2.530) 16.330 7.968 ( 2.518 6.772 -0.085) 7.226 8.096 ( -1.634 1.296 -3.685) 4.235 8.406 ( 6.120 0.338 -5.611) 8.310 8.541 ( -1.030 -5.625 -9.306) 10.922 9.085 ( -3.192 10.777 19.481) 22.491 9.309 ( -8.337 2.962 2.642) 9.234 9.522 ( 3.326 -2.432 -2.164) 4.654 9.971 ( 1.017 0.280 6.243) 6.331 10.175 ( 3.856 1.389 5.238) 6.651 10.237 ( 0.255 -4.299 5.047) 6.635 10.573 ( 2.563 0.072 -1.612) 3.029 10.990 ( 9.170 2.890 -2.043) 9.829 11.241 ( -0.677 -2.999 10.295) 10.744 11.465 ( 2.787 4.250 7.636) 9.173 11.765 ( -1.295 -1.934 -1.654) 2.855 11.890 ( 3.477 -5.859 3.540) 7.678 12.124 ( -3.733 -2.240 -0.917) 4.449 12.264 ( 0.257 0.289 4.173) 4.191 12.532 ( -7.205 -2.203 -5.594) 9.384 12.766 ( -2.574 -4.174 -3.709) 6.149 13.273 ( -2.321 0.144 4.273) 4.865 13.573 ( 4.130 0.486 -10.557) 11.346 13.942 ( -0.054 2.540 2.364) 3.471 14.043 ( 3.057 5.684 7.356) 9.786 14.163 ( -4.333 4.206 2.599) 6.575 14.360 ( -5.682 3.493 -2.903) 7.275 14.623 ( -3.299 3.791 2.499) 5.612 14.752 ( -2.198 -10.480 2.968) 11.111 15.289 ( 7.162 -0.283 -6.611) 9.750 15.639 ( -3.794 5.344 -6.004) 8.889 15.789 ( 10.127 -3.085 -24.858) 27.018 16.544 ( 11.764 1.027 16.387) 20.198 16.601 ( -8.808 0.825 -13.524) 16.160 17.557 ( -2.787 16.325 -0.367) 16.565 17.868 ( -3.103 -11.173 6.950) 13.519 18.097 ( -4.065 -9.912 -3.284) 11.205 18.553 ( -1.394 0.869 20.147) 20.214 18.848 ( 9.052 -0.956 -7.198) 11.604 18.948 ( -7.712 -0.376 4.874) 9.131 19.174 ( -6.148 -0.486 -4.754) 7.787 19.356 ( -1.558 1.259 9.554) 9.761 19.401 ( -1.521 3.480 -4.370) 5.790 19.743 ( 2.341 0.652 4.649) 5.246 19.869 ( -1.507 -6.769 3.482) 7.760 19.995 ( -3.937 -0.351 3.912) 5.561 20.947 ( 3.650 9.368 -0.574) 10.071 21.122 ( 5.913 -6.099 -2.584) 8.879 21.471 ( 6.139 3.195 -12.101) 13.940 22.373 ( 0.022 -0.655 2.861) 2.935 22.457 ( 1.537 0.467 0.021) 1.607 22.628 ( 0.181 0.748 -1.997) 2.141 22.720 ( 1.175 0.779 -0.807) 1.625 24.313 ( -9.472 -2.018 -4.646) 10.742 25.521 ( 5.773 -3.480 -11.549) 13.372 26.007 ( 3.070 6.926 9.423) 12.090 26.224 ( 14.635 -2.498 2.273) 15.019 26.973 ( -11.992 -1.194 -13.924) 18.415 27.590 ( -9.731 10.130 22.839) 26.813 27.881 ( 6.029 -7.001 -8.622) 12.638 28.380 ( -3.255 -3.141 -1.473) 4.757 28.655 ( 3.347 3.009 4.795) 6.576 28.857 ( -2.318 -4.191 2.700) 5.498 29.032 ( 2.037 0.451 -4.694) 5.137 29.068 ( -0.423 -0.606 2.655) 2.756 30.089 ( -2.390 5.379 -11.648) 13.051 30.824 ( 9.860 -9.586 -23.884) 27.560 31.120 ( -7.832 3.127 2.133) 8.698 31.812 ( -2.045 -0.281 -5.301) 5.688 32.582 ( 5.021 1.769 2.765) 5.999 32.650 ( 4.136 -0.855 0.199) 4.229 32.851 ( -5.113 2.595 -3.077) 6.507 32.994 ( -4.260 -2.865 -5.433) 7.475 37.856 ( -0.477 -1.332 5.546) 5.723 37.897 ( 2.313 -2.141 6.648) 7.357 38.118 ( -7.616 -0.376 6.876) 10.268 38.570 ( -0.649 -3.402 -1.274) 3.690 40.032 ( 5.622 0.639 0.910) 5.731 40.106 ( 5.273 0.642 0.845) 5.378 40.221 ( -2.992 1.017 4.783) 5.732 40.336 ( -3.563 -0.372 2.037) 4.121 41.119 ( 3.432 4.430 3.489) 6.601 41.244 ( 4.275 -7.298 1.480) 8.586 41.627 ( -5.724 1.671 1.022) 6.050 41.709 ( -9.007 0.415 1.864) 9.207 42.841 ( -1.847 -1.731 6.828) 7.283 43.938 ( 12.805 1.312 6.267) 14.317 44.749 ( -6.422 2.633 -23.911) 24.898 44.994 ( 0.607 2.981 -16.105) 16.390 ======================= Grid point 171 (64/96) ======================= q-point: (-0.50 0.43 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( 0.000 3.270 18.152) 18.444 2.985 ( 0.000 3.966 4.056) 5.672 3.224 ( 0.000 -0.249 -6.277) 6.282 3.531 ( 0.000 1.885 -6.047) 6.334 3.695 ( 0.000 6.124 24.443) 25.198 3.972 ( 0.000 -4.659 6.191) 7.748 4.349 ( 0.000 4.268 -0.024) 4.268 4.659 ( 0.000 -0.453 0.225) 0.506 4.962 ( 0.000 -1.203 -7.476) 7.572 5.052 ( 0.000 -3.431 -14.108) 14.519 5.323 ( 0.000 -10.179 -24.189) 26.243 5.469 ( 0.000 2.253 -15.429) 15.592 5.537 ( 0.000 -2.732 -12.222) 12.524 5.727 ( 0.000 1.965 10.262) 10.448 5.821 ( -0.000 -4.160 -2.003) 4.617 6.436 ( 0.000 13.021 -14.369) 19.391 6.860 ( 0.000 3.291 13.332) 13.732 6.984 ( 0.000 -8.617 11.494) 14.365 7.137 ( 0.000 -14.675 7.315) 16.397 7.914 ( 0.000 6.348 -2.091) 6.683 8.011 ( 0.000 16.508 9.686) 19.140 8.083 ( -0.000 -10.672 -9.821) 14.503 8.421 ( 0.000 -4.209 -16.807) 17.326 8.533 ( -0.000 -3.034 -6.645) 7.305 9.069 ( 0.000 11.568 24.670) 27.247 9.207 ( 0.000 1.175 3.201) 3.410 9.568 ( 0.000 -0.517 -1.856) 1.927 9.974 ( 0.000 -0.628 6.782) 6.811 10.213 ( 0.000 -2.230 4.097) 4.665 10.245 ( 0.000 -0.288 5.268) 5.276 10.605 ( 0.000 -0.032 -2.999) 2.999 11.092 ( 0.000 6.479 -4.102) 7.669 11.228 ( 0.000 -4.946 10.185) 11.322 11.496 ( 0.000 8.701 7.658) 11.590 11.756 ( 0.000 -4.204 -0.912) 4.302 12.003 ( -0.000 -10.870 7.336) 13.114 12.008 ( 0.000 0.776 5.874) 5.925 12.265 ( 0.000 -0.092 6.068) 6.069 12.450 ( 0.000 -3.192 -9.416) 9.942 12.738 ( 0.000 -3.154 -3.851) 4.978 13.247 ( 0.000 -0.549 2.952) 3.003 13.620 ( 0.000 0.274 -14.481) 14.484 13.944 ( 0.000 3.571 2.736) 4.499 14.092 ( 0.000 9.000 8.195) 12.172 14.114 ( 0.000 2.787 1.905) 3.376 14.277 ( 0.000 -0.104 -2.413) 2.415 14.586 ( 0.000 4.740 3.203) 5.720 14.728 ( 0.000 -10.740 6.070) 12.336 15.421 ( 0.000 1.323 -16.121) 16.176 15.539 ( -0.000 1.807 2.226) 2.867 15.971 ( 0.000 -4.098 -35.954) 36.187 16.327 ( -0.000 3.288 -18.868) 19.152 16.848 ( 0.000 0.459 27.553) 27.557 17.444 ( 0.000 18.290 6.129) 19.290 17.885 ( -0.000 -2.213 13.199) 13.383 18.026 ( 0.000 -19.686 -11.052) 22.576 18.519 ( 0.000 -0.170 31.763) 31.763 18.870 ( 0.000 1.238 -3.642) 3.847 18.998 ( 0.000 -1.180 -11.244) 11.306 19.064 ( 0.000 -0.894 -3.112) 3.238 19.340 ( 0.000 0.707 12.900) 12.919 19.388 ( 0.000 4.390 -8.576) 9.634 19.778 ( 0.000 -3.966 5.132) 6.485 19.856 ( 0.000 -0.344 1.573) 1.610 19.945 ( 0.000 -2.696 3.998) 4.822 20.984 ( 0.000 8.615 0.101) 8.616 21.187 ( 0.000 -5.323 -2.585) 5.917 21.532 ( 0.000 4.008 -15.088) 15.611 22.374 ( 0.000 -0.757 3.260) 3.346 22.475 ( 0.000 0.660 -0.148) 0.677 22.630 ( 0.000 0.319 -2.313) 2.335 22.730 ( 0.000 1.468 -0.479) 1.544 24.215 ( 0.000 -3.506 -3.420) 4.898 25.581 ( 0.000 -3.812 -5.857) 6.988 26.038 ( 0.000 6.872 8.706) 11.091 26.422 ( 0.000 -1.275 -8.699) 8.792 26.817 ( -0.000 -1.747 -11.924) 12.052 27.470 ( 0.000 9.521 28.417) 29.970 27.961 ( 0.000 -4.900 -10.912) 11.962 28.329 ( 0.000 -4.357 -0.777) 4.426 28.699 ( -0.000 1.124 4.148) 4.298 28.823 ( 0.000 0.160 3.333) 3.336 29.060 ( 0.000 -0.574 -5.571) 5.600 29.063 ( 0.000 -2.028 3.481) 4.028 30.064 ( 0.000 5.067 -10.632) 11.778 30.936 ( 0.000 -9.622 -25.034) 26.820 31.038 ( 0.000 3.303 1.921) 3.822 31.775 ( 0.000 -0.044 -6.906) 6.907 32.654 ( -0.000 2.535 4.568) 5.224 32.701 ( 0.000 1.783 4.970) 5.280 32.789 ( -0.000 -2.067 -7.100) 7.395 32.932 ( 0.000 -1.296 -5.546) 5.695 37.851 ( 0.000 -1.639 4.738) 5.013 37.957 ( 0.000 -3.110 4.138) 5.176 38.003 ( -0.000 0.459 8.862) 8.874 38.560 ( 0.000 -2.779 -3.144) 4.196 40.131 ( -0.000 2.191 1.575) 2.698 40.142 ( 0.000 -0.345 5.690) 5.701 40.193 ( 0.000 0.011 1.888) 1.888 40.275 ( 0.000 -0.065 0.780) 0.783 41.163 ( 0.000 5.548 3.230) 6.420 41.311 ( 0.000 -8.292 0.694) 8.321 41.544 ( 0.000 4.547 2.422) 5.152 41.605 ( 0.000 -1.985 1.171) 2.304 42.828 ( 0.000 -2.430 8.251) 8.601 44.085 ( 0.000 3.758 13.571) 14.082 44.666 ( 0.000 0.654 -30.121) 30.128 45.000 ( 0.000 2.821 -15.977) 16.224 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.375 ( 0.000 0.000 -29.237) 29.237 2.414 ( 0.000 0.000 -41.778) 41.778 2.733 ( 0.000 0.000 14.672) 14.672 3.251 ( 0.000 0.000 -13.535) 13.535 3.912 ( 0.000 0.000 18.574) 18.574 4.050 ( 0.000 0.000 7.353) 7.353 4.786 ( 0.000 0.000 31.396) 31.396 4.882 ( 0.000 0.000 -3.589) 3.589 4.995 ( 0.000 0.000 18.439) 18.439 5.282 ( 0.000 0.000 -16.114) 16.114 5.445 ( 0.000 0.000 13.859) 13.859 5.514 ( 0.000 0.000 2.281) 2.281 5.573 ( 0.000 0.000 4.907) 4.907 5.741 ( 0.000 0.000 -11.711) 11.711 6.039 ( 0.000 0.000 7.680) 7.680 6.439 ( 0.000 0.000 -13.953) 13.953 7.195 ( 0.000 0.000 5.506) 5.506 7.248 ( 0.000 0.000 3.774) 3.774 7.299 ( 0.000 0.000 2.584) 2.584 7.601 ( 0.000 0.000 -8.847) 8.847 7.827 ( 0.000 0.000 0.652) 0.652 8.174 ( 0.000 0.000 15.227) 15.227 8.232 ( 0.000 0.000 -16.545) 16.545 8.587 ( 0.000 0.000 10.615) 10.615 9.060 ( 0.000 0.000 14.148) 14.148 9.079 ( 0.000 0.000 -4.379) 4.379 9.491 ( 0.000 0.000 -10.526) 10.526 9.569 ( 0.000 0.000 -9.087) 9.087 10.367 ( 0.000 0.000 6.636) 6.636 10.392 ( 0.000 0.000 6.435) 6.435 10.479 ( 0.000 0.000 3.045) 3.045 10.489 ( 0.000 0.000 -4.037) 4.037 11.406 ( 0.000 0.000 -6.477) 6.477 11.418 ( 0.000 0.000 -8.761) 8.761 11.820 ( 0.000 0.000 1.928) 1.928 11.897 ( 0.000 0.000 -0.451) 0.451 12.708 ( 0.000 0.000 2.031) 2.031 12.810 ( 0.000 0.000 -2.166) 2.166 12.829 ( 0.000 0.000 -2.294) 2.294 12.829 ( 0.000 0.000 -1.551) 1.551 13.296 ( 0.000 0.000 4.330) 4.330 13.306 ( 0.000 0.000 2.381) 2.381 13.436 ( 0.000 0.000 -4.251) 4.251 13.457 ( 0.000 0.000 -2.883) 2.883 14.141 ( 0.000 0.000 9.968) 9.968 14.166 ( 0.000 0.000 2.576) 2.576 14.438 ( 0.000 0.000 -10.114) 10.114 14.725 ( 0.000 0.000 -19.968) 19.968 15.164 ( 0.000 0.000 7.689) 7.689 15.552 ( 0.000 0.000 -9.259) 9.259 16.005 ( 0.000 0.000 38.080) 38.080 16.242 ( 0.000 0.000 18.110) 18.110 17.147 ( 0.000 0.000 -25.049) 25.049 17.552 ( 0.000 0.000 25.187) 25.187 17.773 ( 0.000 0.000 -42.710) 42.710 18.166 ( 0.000 0.000 -6.021) 6.021 18.742 ( 0.000 0.000 5.178) 5.178 18.911 ( 0.000 0.000 10.478) 10.478 19.067 ( 0.000 0.000 4.301) 4.301 19.201 ( 0.000 0.000 -3.822) 3.822 19.226 ( 0.000 0.000 -10.958) 10.958 19.264 ( 0.000 0.000 -3.772) 3.772 19.770 ( 0.000 0.000 9.363) 9.363 19.998 ( 0.000 0.000 -2.943) 2.943 20.625 ( 0.000 0.000 6.200) 6.200 20.663 ( 0.000 0.000 -3.211) 3.211 20.726 ( 0.000 0.000 -4.099) 4.099 20.776 ( 0.000 0.000 -4.330) 4.330 22.461 ( 0.000 0.000 4.011) 4.011 22.504 ( 0.000 0.000 1.502) 1.502 22.507 ( 0.000 0.000 -0.118) 0.118 22.598 ( 0.000 0.000 -2.864) 2.864 25.045 ( 0.000 0.000 5.920) 5.920 25.528 ( 0.000 0.000 -18.400) 18.400 25.861 ( 0.000 0.000 20.919) 20.919 25.953 ( 0.000 0.000 40.346) 40.346 27.074 ( 0.000 0.000 -29.772) 29.772 27.676 ( 0.000 0.000 -36.723) 36.723 27.961 ( 0.000 0.000 14.344) 14.344 28.008 ( 0.000 0.000 7.318) 7.318 28.816 ( 0.000 0.000 -0.524) 0.524 28.849 ( 0.000 0.000 1.077) 1.077 28.852 ( 0.000 0.000 -2.295) 2.295 29.124 ( 0.000 0.000 -9.622) 9.622 30.214 ( 0.000 0.000 11.366) 11.366 30.752 ( 0.000 0.000 -15.432) 15.432 31.451 ( 0.000 0.000 14.202) 14.202 31.761 ( 0.000 0.000 0.105) 0.105 32.440 ( 0.000 0.000 -1.028) 1.028 32.631 ( 0.000 0.000 6.311) 6.311 32.652 ( 0.000 0.000 -9.372) 9.372 33.016 ( 0.000 0.000 -13.675) 13.675 38.116 ( 0.000 0.000 3.605) 3.605 38.120 ( 0.000 0.000 3.009) 3.009 38.556 ( 0.000 0.000 13.746) 13.746 39.045 ( 0.000 0.000 -11.513) 11.513 39.907 ( 0.000 0.000 3.757) 3.757 40.037 ( 0.000 0.000 -2.779) 2.779 40.119 ( 0.000 0.000 4.042) 4.042 40.294 ( 0.000 0.000 -4.183) 4.183 41.433 ( 0.000 0.000 8.986) 8.986 41.521 ( 0.000 0.000 2.702) 2.702 41.640 ( 0.000 0.000 -3.828) 3.828 41.754 ( 0.000 0.000 -6.193) 6.193 43.278 ( 0.000 0.000 13.876) 13.876 43.874 ( 0.000 0.000 -16.463) 16.463 43.999 ( 0.000 0.000 -2.057) 2.057 44.053 ( 0.000 0.000 -5.091) 5.091 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( -2.885 0.000 -11.218) 11.583 2.850 ( 10.811 0.000 15.710) 19.070 3.014 ( 33.697 0.000 -39.302) 51.770 3.344 ( 8.376 0.000 -11.696) 14.386 3.899 ( -0.305 0.000 19.257) 19.259 4.143 ( 7.804 0.000 4.602) 9.060 4.547 ( -20.132 0.000 33.052) 38.700 4.844 ( -2.335 0.000 -1.610) 2.836 5.005 ( -1.413 0.000 14.238) 14.308 5.265 ( -4.822 0.000 -9.252) 10.434 5.359 ( -8.566 0.000 12.622) 15.254 5.510 ( -5.876 0.000 5.723) 8.202 5.591 ( 9.608 0.000 -6.049) 11.353 5.668 ( -5.851 0.000 -8.815) 10.580 5.959 ( -7.672 0.000 6.609) 10.126 6.405 ( -3.469 0.000 -13.705) 14.137 7.156 ( -2.897 0.000 4.455) 5.314 7.162 ( -4.869 0.000 6.873) 8.422 7.388 ( 4.428 0.000 -3.471) 5.626 7.605 ( -0.993 0.000 -13.932) 13.967 7.904 ( 7.307 0.000 0.727) 7.343 8.148 ( -1.399 0.000 17.364) 17.420 8.264 ( 3.202 0.000 -14.686) 15.031 8.686 ( 8.232 0.000 5.714) 10.021 9.024 ( -4.820 0.000 -3.022) 5.689 9.067 ( 0.732 0.000 13.475) 13.495 9.439 ( -4.794 0.000 -10.250) 11.316 9.554 ( -1.905 0.000 -8.381) 8.595 10.317 ( -4.518 0.000 9.463) 10.486 10.325 ( -2.619 0.000 6.949) 7.426 10.541 ( 3.655 0.000 -1.389) 3.910 10.554 ( 4.524 0.000 -4.291) 6.235 11.372 ( 1.840 0.000 -1.885) 2.634 11.563 ( 8.695 0.000 -8.214) 11.962 11.797 ( -1.852 0.000 3.676) 4.116 11.916 ( 1.050 0.000 -1.821) 2.103 12.709 ( 0.290 0.000 2.781) 2.796 12.781 ( -1.456 0.000 1.043) 1.791 12.852 ( 1.967 0.000 -4.079) 4.528 12.870 ( 2.551 0.000 -3.158) 4.060 13.280 ( -1.562 0.000 4.291) 4.566 13.280 ( -2.089 0.000 3.265) 3.876 13.434 ( -0.363 0.000 -4.346) 4.361 13.443 ( -1.089 0.000 -3.174) 3.356 14.147 ( 0.602 0.000 9.894) 9.912 14.182 ( 1.465 0.000 3.855) 4.123 14.481 ( 3.809 0.000 -10.149) 10.840 14.729 ( -0.112 0.000 -18.739) 18.740 15.169 ( 1.038 0.000 5.435) 5.534 15.556 ( 0.702 0.000 -10.245) 10.269 15.686 ( -17.926 0.000 23.989) 29.947 16.577 ( 15.877 0.000 20.183) 25.680 16.845 ( -18.600 0.000 -20.185) 27.448 17.534 ( -1.839 0.000 26.401) 26.465 17.994 ( 14.610 0.000 -33.327) 36.389 18.180 ( 1.415 0.000 -5.809) 5.979 18.775 ( 3.057 0.000 3.787) 4.866 18.836 ( -4.883 0.000 12.508) 13.427 19.122 ( -0.053 0.000 -1.176) 1.177 19.188 ( -3.825 0.000 -8.315) 9.152 19.195 ( 2.906 0.000 1.291) 3.180 19.341 ( 7.551 0.000 -6.960) 10.269 19.763 ( -1.943 0.000 8.040) 8.272 19.946 ( -4.192 0.000 -1.670) 4.512 20.532 ( -5.980 0.000 6.497) 8.830 20.599 ( -4.148 0.000 0.569) 4.187 20.781 ( 3.241 0.000 -8.602) 9.192 20.841 ( 3.652 0.000 -8.264) 9.035 22.473 ( 1.104 0.000 3.987) 4.137 22.500 ( 0.217 0.000 1.696) 1.710 22.529 ( 1.630 0.000 -0.051) 1.630 22.610 ( 0.899 0.000 -2.888) 3.025 25.054 ( 1.073 0.000 7.526) 7.602 25.597 ( 6.628 0.000 -19.692) 20.777 25.603 ( -13.190 0.000 25.980) 29.137 26.249 ( 15.437 0.000 26.438) 30.615 26.892 ( -12.328 0.000 -22.087) 25.294 27.813 ( -9.834 0.000 19.899) 22.196 27.878 ( 15.547 0.000 -34.945) 38.247 28.129 ( 6.808 0.000 3.415) 7.616 28.781 ( -3.232 0.000 0.444) 3.263 28.809 ( -3.504 0.000 0.826) 3.600 28.836 ( -1.517 0.000 -3.079) 3.433 29.086 ( -3.886 0.000 -11.343) 11.990 30.259 ( 4.544 0.000 12.293) 13.106 30.834 ( 8.015 0.000 -16.417) 18.269 31.248 ( -15.740 0.000 15.694) 22.227 31.777 ( -2.658 0.000 -7.970) 8.401 32.495 ( 5.766 0.000 0.561) 5.794 32.632 ( 0.112 0.000 6.405) 6.406 32.658 ( 0.545 0.000 -4.942) 4.972 32.998 ( -1.887 0.000 -12.571) 12.712 38.102 ( 0.059 0.000 5.090) 5.090 38.175 ( 4.129 0.000 0.800) 4.206 38.476 ( -7.114 0.000 13.039) 14.854 38.940 ( -9.657 0.000 -11.010) 14.645 39.936 ( 2.867 0.000 3.664) 4.652 40.061 ( 2.325 0.000 -2.440) 3.370 40.141 ( 1.686 0.000 4.617) 4.915 40.324 ( 1.785 0.000 -3.717) 4.124 41.409 ( -2.246 0.000 9.209) 9.479 41.440 ( -6.716 0.000 3.848) 7.741 41.589 ( -3.787 0.000 -3.949) 5.471 41.737 ( -1.690 0.000 -6.220) 6.445 43.323 ( 4.792 0.000 16.015) 16.717 43.897 ( -6.431 0.000 2.766) 7.001 44.001 ( 10.179 0.000 -19.501) 21.997 44.142 ( 5.080 0.000 -9.738) 10.983 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.295 ( 22.117 0.000 21.299) 30.705 3.076 ( 6.822 0.000 23.175) 24.158 3.496 ( 3.901 0.000 -1.403) 4.146 3.593 ( 16.873 0.000 -22.603) 28.206 3.946 ( 8.536 0.000 16.587) 18.655 4.143 ( -13.920 0.000 23.412) 27.237 4.313 ( 8.410 0.000 -4.996) 9.782 4.819 ( 0.514 0.000 0.173) 0.542 4.897 ( -10.520 0.000 0.206) 10.522 5.124 ( -13.164 0.000 13.312) 18.722 5.170 ( -1.329 0.000 -6.039) 6.183 5.376 ( -6.814 0.000 1.920) 7.080 5.530 ( -5.087 0.000 1.614) 5.337 5.748 ( -12.707 0.000 6.349) 14.205 5.869 ( 14.746 0.000 -14.037) 20.359 6.303 ( -6.702 0.000 -13.457) 15.034 7.078 ( -3.017 0.000 8.134) 8.675 7.103 ( -2.468 0.000 3.814) 4.542 7.445 ( 1.538 0.000 -10.557) 10.669 7.542 ( -4.460 0.000 -18.954) 19.471 8.067 ( 6.961 0.000 2.922) 7.550 8.141 ( 0.465 0.000 16.897) 16.904 8.374 ( 8.488 0.000 -12.054) 14.743 8.776 ( -4.445 0.000 -11.757) 12.569 8.990 ( 5.527 0.000 8.560) 10.189 9.086 ( 1.081 0.000 10.567) 10.622 9.333 ( -4.552 0.000 -7.466) 8.744 9.473 ( -6.291 0.000 -5.589) 8.415 10.256 ( -1.333 0.000 10.434) 10.519 10.283 ( -1.674 0.000 8.573) 8.735 10.602 ( 2.479 0.000 -5.880) 6.381 10.625 ( 2.147 0.000 -6.663) 7.000 11.474 ( 7.581 0.000 4.822) 8.985 11.731 ( 7.656 0.000 -6.114) 9.798 11.744 ( -3.875 0.000 5.989) 7.133 11.915 ( -1.379 0.000 -3.279) 3.557 12.723 ( 0.965 0.000 3.776) 3.897 12.758 ( -0.931 0.000 2.965) 3.108 12.895 ( 2.072 0.000 -3.894) 4.411 12.916 ( 1.691 0.000 -4.419) 4.732 13.239 ( -1.804 0.000 4.414) 4.769 13.240 ( -2.086 0.000 4.676) 5.120 13.422 ( -0.534 0.000 -4.449) 4.481 13.425 ( -0.590 0.000 -3.994) 4.037 14.168 ( 1.525 0.000 9.720) 9.839 14.209 ( 0.772 0.000 6.524) 6.570 14.563 ( 3.902 0.000 -9.303) 10.088 14.701 ( -2.752 0.000 -13.117) 13.402 15.217 ( 3.224 0.000 -0.453) 3.256 15.400 ( -10.087 0.000 12.343) 15.940 15.612 ( 6.363 0.000 -14.124) 15.491 16.283 ( -24.352 0.000 -28.810) 37.723 17.039 ( 17.617 0.000 33.179) 37.566 17.472 ( -4.755 0.000 29.328) 29.711 18.222 ( 7.103 0.000 -22.831) 23.910 18.222 ( 2.711 0.000 -6.880) 7.395 18.775 ( -0.024 0.000 14.741) 14.741 18.846 ( 3.470 0.000 1.804) 3.911 19.062 ( -4.113 0.000 -3.061) 5.127 19.077 ( -6.948 0.000 -1.627) 7.136 19.298 ( 6.154 0.000 2.364) 6.593 19.549 ( 11.959 0.000 -10.025) 15.605 19.638 ( -9.743 0.000 6.245) 11.573 19.880 ( -3.115 0.000 -3.677) 4.819 20.446 ( -2.070 0.000 6.558) 6.877 20.518 ( -3.866 0.000 3.742) 5.380 20.836 ( 2.317 0.000 -13.375) 13.574 20.884 ( 0.622 0.000 -14.246) 14.259 22.498 ( 1.116 0.000 3.797) 3.958 22.509 ( 0.456 0.000 2.602) 2.641 22.568 ( 2.098 0.000 -0.638) 2.193 22.622 ( 0.031 0.000 -2.532) 2.533 25.099 ( 3.699 0.000 11.402) 11.987 25.373 ( -9.946 0.000 21.422) 23.619 25.781 ( 11.554 0.000 -22.743) 25.509 26.326 ( -10.418 0.000 -19.656) 22.247 26.874 ( 13.771 0.000 26.418) 29.792 27.570 ( -14.741 0.000 28.635) 32.206 28.185 ( 13.453 0.000 -30.016) 32.893 28.259 ( 5.977 0.000 -3.087) 6.727 28.706 ( -3.470 0.000 1.961) 3.986 28.737 ( -3.187 0.000 -0.075) 3.188 28.804 ( -1.110 0.000 -5.178) 5.296 28.969 ( -7.517 0.000 -14.219) 16.084 30.395 ( 9.041 0.000 14.367) 16.975 30.917 ( -16.369 0.000 16.786) 23.446 31.053 ( 13.346 0.000 -18.429) 22.754 31.620 ( -11.993 0.000 -17.045) 20.842 32.623 ( 3.690 0.000 2.309) 4.353 32.635 ( 0.200 0.000 6.468) 6.471 32.690 ( 4.912 0.000 -0.791) 4.976 32.938 ( -4.177 0.000 -9.421) 10.306 38.122 ( 2.004 0.000 6.758) 7.049 38.289 ( 7.331 0.000 -2.578) 7.771 38.317 ( -7.823 0.000 11.206) 13.667 38.707 ( -12.562 0.000 -9.295) 15.627 40.015 ( 4.697 0.000 3.523) 5.872 40.129 ( 4.422 0.000 -1.642) 4.717 40.157 ( -0.710 0.000 4.742) 4.795 40.320 ( -2.663 0.000 -2.282) 3.507 41.321 ( -3.869 0.000 6.375) 7.457 41.352 ( -3.176 0.000 9.386) 9.909 41.549 ( 0.519 0.000 -4.800) 4.828 41.684 ( -3.617 0.000 -6.178) 7.159 43.456 ( 7.827 0.000 16.695) 18.438 43.762 ( -7.090 0.000 8.723) 11.241 44.186 ( 6.967 0.000 -21.647) 22.741 44.229 ( 3.373 0.000 -15.210) 15.580 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( -23.982 0.000 36.814) 43.936 2.836 ( 23.982 0.000 36.814) 43.936 3.605 ( -4.226 0.000 3.628) 5.569 3.605 ( 4.226 0.000 3.628) 5.569 4.093 ( -0.165 0.000 5.584) 5.587 4.093 ( 0.165 0.000 5.584) 5.587 4.573 ( -16.075 0.000 -9.652) 18.750 4.573 ( 16.075 0.000 -9.652) 18.750 4.908 ( -2.848 0.000 4.941) 5.703 4.908 ( 2.848 0.000 4.941) 5.703 5.242 ( -2.612 0.000 -9.147) 9.513 5.242 ( 2.612 0.000 -9.147) 9.513 5.529 ( -1.346 0.000 12.033) 12.108 5.529 ( 1.346 0.000 12.033) 12.108 6.131 ( -8.111 0.000 -14.708) 16.796 6.131 ( 8.111 0.000 -14.708) 16.796 7.060 ( -0.433 0.000 6.164) 6.179 7.060 ( 0.433 0.000 6.164) 6.179 7.473 ( -0.109 0.000 -16.476) 16.476 7.473 ( 0.109 0.000 -16.476) 16.476 8.142 ( -0.110 0.000 10.553) 10.554 8.142 ( 0.110 0.000 10.553) 10.554 8.589 ( -7.683 0.000 -12.491) 14.665 8.589 ( 7.683 0.000 -12.491) 14.665 9.095 ( -0.127 0.000 6.643) 6.645 9.095 ( 0.127 0.000 6.643) 6.645 9.333 ( -4.108 0.000 -3.373) 5.315 9.333 ( 4.108 0.000 -3.373) 5.315 10.256 ( -0.417 0.000 9.601) 9.610 10.256 ( 0.417 0.000 9.601) 9.610 10.637 ( -0.113 0.000 -7.609) 7.610 10.637 ( 0.113 0.000 -7.609) 7.610 11.632 ( -2.372 0.000 7.141) 7.525 11.632 ( 2.372 0.000 7.141) 7.525 11.856 ( -3.929 0.000 -4.439) 5.928 11.856 ( 3.929 0.000 -4.439) 5.928 12.741 ( -0.041 0.000 3.911) 3.911 12.741 ( 0.041 0.000 3.911) 3.911 12.926 ( -0.029 0.000 -4.047) 4.047 12.926 ( 0.029 0.000 -4.047) 4.047 13.217 ( -0.000 0.000 4.931) 4.931 13.217 ( 0.000 0.000 4.931) 4.931 13.419 ( -0.001 0.000 -4.565) 4.565 13.419 ( 0.001 0.000 -4.565) 4.565 14.201 ( -0.167 0.000 8.900) 8.901 14.201 ( 0.167 0.000 8.900) 8.901 14.635 ( -0.475 0.000 -9.017) 9.030 14.635 ( 0.475 0.000 -9.017) 9.030 15.277 ( -1.060 0.000 1.788) 2.079 15.277 ( 1.060 0.000 1.788) 2.079 15.852 ( -14.382 0.000 -22.396) 26.616 15.852 ( 14.382 0.000 -22.396) 26.616 17.324 ( -9.658 0.000 32.376) 33.786 17.324 ( 9.658 0.000 32.376) 33.786 18.270 ( -0.148 0.000 -12.375) 12.375 18.270 ( 0.148 0.000 -12.375) 12.375 18.848 ( -4.347 0.000 8.673) 9.701 18.848 ( 4.347 0.000 8.673) 9.701 18.992 ( -0.433 0.000 -1.087) 1.170 18.992 ( 0.433 0.000 -1.087) 1.170 19.444 ( -7.013 0.000 3.321) 7.759 19.444 ( 7.013 0.000 3.321) 7.759 19.766 ( -7.473 0.000 -8.552) 11.357 19.766 ( 7.473 0.000 -8.552) 11.357 20.452 ( -0.356 0.000 5.917) 5.928 20.452 ( 0.356 0.000 5.917) 5.928 20.874 ( -0.206 0.000 -16.069) 16.070 20.874 ( 0.206 0.000 -16.069) 16.070 22.512 ( -0.032 0.000 3.324) 3.324 22.512 ( 0.032 0.000 3.324) 3.324 22.606 ( -0.886 0.000 -1.578) 1.809 22.606 ( 0.886 0.000 -1.578) 1.809 25.205 ( -1.036 0.000 16.242) 16.275 25.205 ( 1.036 0.000 16.242) 16.275 26.046 ( -5.230 0.000 -25.862) 26.386 26.046 ( 5.230 0.000 -25.862) 26.386 27.230 ( -10.667 0.000 33.982) 35.617 27.230 ( 10.667 0.000 33.982) 35.617 28.334 ( -0.007 0.000 -15.275) 15.275 28.334 ( 0.007 0.000 -15.275) 15.275 28.688 ( -1.353 0.000 0.003) 1.353 28.688 ( 1.353 0.000 0.003) 1.353 28.828 ( -3.857 0.000 -11.320) 11.959 28.828 ( 3.857 0.000 -11.320) 11.959 30.618 ( -5.303 0.000 16.224) 17.068 30.618 ( 5.303 0.000 16.224) 17.068 31.342 ( -9.259 0.000 -19.511) 21.596 31.342 ( 9.259 0.000 -19.511) 21.596 32.640 ( -0.006 0.000 5.639) 5.639 32.640 ( 0.006 0.000 5.639) 5.639 32.829 ( -5.672 0.000 -4.922) 7.510 32.829 ( 5.672 0.000 -4.922) 7.510 38.188 ( -4.180 0.000 8.854) 9.791 38.188 ( 4.180 0.000 8.854) 9.791 38.470 ( -6.610 0.000 -6.277) 9.116 38.470 ( 6.610 0.000 -6.277) 9.116 40.107 ( -2.239 0.000 3.898) 4.495 40.107 ( 2.239 0.000 3.898) 4.495 40.231 ( -4.396 0.000 -1.295) 4.583 40.231 ( 4.396 0.000 -1.295) 4.583 41.300 ( -0.349 0.000 8.560) 8.567 41.300 ( 0.349 0.000 8.560) 8.567 41.602 ( -3.962 0.000 -5.779) 7.007 41.602 ( 3.962 0.000 -5.779) 7.007 43.614 ( -1.919 0.000 13.829) 13.961 43.614 ( 1.919 0.000 13.829) 13.961 44.261 ( -0.031 0.000 -19.667) 19.667 44.261 ( 0.031 0.000 -19.667) 19.667 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.346 ( 0.000 -3.178 -24.426) 24.632 2.474 ( 0.000 8.922 -28.137) 29.518 2.961 ( 0.000 18.597 -1.835) 18.687 3.272 ( 0.000 -0.598 -8.400) 8.422 3.604 ( 0.000 -22.713 23.717) 32.839 4.026 ( 0.000 -2.085 6.792) 7.105 4.486 ( 0.000 -8.560 -0.470) 8.573 4.868 ( 0.000 -19.015 -14.132) 23.691 5.132 ( 0.000 -3.422 11.744) 12.233 5.152 ( 0.000 -6.296 6.154) 8.804 5.485 ( 0.000 12.810 20.368) 24.061 5.557 ( 0.000 -3.376 -1.322) 3.626 5.647 ( 0.000 10.922 2.214) 11.144 5.902 ( 0.000 12.285 -2.245) 12.488 6.031 ( 0.000 -0.241 7.538) 7.541 6.332 ( 0.000 -10.202 -12.051) 15.789 7.060 ( 0.000 -5.038 -1.388) 5.226 7.190 ( 0.000 -7.715 -4.541) 8.952 7.476 ( 0.000 8.721 9.358) 12.792 7.687 ( 0.000 7.069 -5.265) 8.814 7.730 ( 0.000 -4.555 -0.142) 4.557 7.945 ( 0.000 -13.937 -4.139) 14.539 8.296 ( 0.000 6.396 18.301) 19.387 8.799 ( 0.000 2.052 17.309) 17.430 9.010 ( 0.000 -0.815 9.914) 9.947 9.039 ( 0.000 2.990 -18.218) 18.461 9.483 ( 0.000 -1.119 -9.322) 9.389 9.597 ( 0.000 4.785 -9.320) 10.476 10.364 ( 0.000 0.641 5.484) 5.521 10.425 ( 0.000 -4.210 1.626) 4.513 10.476 ( 0.000 6.108 6.668) 9.042 10.562 ( 0.000 5.020 -0.530) 5.048 11.466 ( 0.000 4.544 -4.502) 6.397 11.480 ( 0.000 6.313 -2.410) 6.757 11.819 ( 0.000 -0.465 1.512) 1.582 11.906 ( 0.000 0.704 -2.177) 2.287 12.366 ( 0.000 -19.589 -0.776) 19.604 12.467 ( 0.000 -20.048 -2.241) 20.173 12.935 ( 0.000 -1.934 -0.070) 1.935 13.021 ( 0.000 2.559 -3.705) 4.503 13.234 ( 0.000 -1.527 4.530) 4.781 13.344 ( 0.000 5.232 -0.100) 5.233 13.608 ( 0.000 13.931 -2.099) 14.089 13.609 ( 0.000 13.460 -2.220) 13.642 14.144 ( 0.000 0.372 5.348) 5.361 14.155 ( 0.000 0.024 0.802) 0.803 14.462 ( 0.000 2.502 -6.142) 6.632 14.760 ( 0.000 2.411 -18.778) 18.933 15.213 ( 0.000 4.403 6.324) 7.706 15.544 ( 0.000 -1.004 -5.994) 6.077 16.023 ( 0.000 2.082 37.115) 37.173 16.208 ( 0.000 -3.161 16.679) 16.976 17.111 ( 0.000 -3.705 -26.404) 26.663 17.337 ( 0.000 -14.683 0.811) 14.706 17.910 ( 0.000 7.782 -13.874) 15.908 18.197 ( 0.000 2.899 -5.591) 6.298 18.698 ( 0.000 -4.456 -0.366) 4.471 18.788 ( 0.000 -11.085 4.865) 12.105 19.106 ( 0.000 2.606 -0.426) 2.641 19.195 ( 0.000 -1.003 -6.479) 6.556 19.268 ( 0.000 7.495 1.466) 7.637 19.352 ( 0.000 5.923 -1.999) 6.251 19.799 ( 0.000 2.612 10.543) 10.862 20.027 ( 0.000 2.209 -1.323) 2.575 20.510 ( 0.000 -4.502 2.817) 5.310 20.662 ( 0.000 -3.276 -1.895) 3.784 20.828 ( 0.000 9.579 -1.038) 9.635 20.849 ( 0.000 4.458 -4.919) 6.638 22.443 ( 0.000 -1.137 3.089) 3.291 22.492 ( 0.000 -1.145 1.535) 1.915 22.534 ( 0.000 1.970 0.295) 1.992 22.609 ( 0.000 0.917 -2.788) 2.935 24.890 ( 0.000 -12.466 8.513) 15.095 25.375 ( 0.000 -12.488 -15.503) 19.907 25.961 ( 0.000 7.016 17.301) 18.669 26.093 ( 0.000 10.918 35.709) 37.341 27.019 ( 0.000 -4.199 -28.956) 29.259 27.544 ( 0.000 -9.734 -27.442) 29.117 28.060 ( 0.000 9.039 12.849) 15.710 28.146 ( 0.000 9.950 0.151) 9.952 28.682 ( 0.000 -7.028 -0.199) 7.031 28.810 ( 0.000 -2.949 -4.114) 5.062 28.971 ( 0.000 6.059 0.977) 6.137 29.139 ( 0.000 0.604 -5.695) 5.727 30.137 ( 0.000 -6.950 9.015) 11.383 30.660 ( 0.000 -9.149 -16.270) 18.666 31.483 ( 0.000 2.965 12.397) 12.746 31.748 ( 0.000 -1.239 -0.017) 1.239 32.451 ( 0.000 1.069 -0.564) 1.208 32.550 ( 0.000 -3.352 0.205) 3.358 32.758 ( 0.000 5.766 -3.054) 6.525 33.012 ( 0.000 -0.451 -12.335) 12.344 38.091 ( 0.000 -2.353 3.908) 4.562 38.095 ( 0.000 -2.382 3.525) 4.255 38.538 ( 0.000 -1.689 12.229) 12.345 38.960 ( 0.000 -8.294 -8.854) 12.132 39.883 ( 0.000 -1.539 2.273) 2.746 39.977 ( 0.000 -3.886 -2.617) 4.685 40.174 ( 0.000 4.731 4.889) 6.804 40.349 ( 0.000 3.870 -3.358) 5.124 41.347 ( 0.000 -6.947 5.830) 9.069 41.439 ( 0.000 -6.809 0.556) 6.831 41.716 ( 0.000 5.782 -0.075) 5.783 41.812 ( 0.000 4.359 -3.305) 5.470 43.184 ( 0.000 -6.078 11.941) 13.399 43.661 ( 0.000 -13.015 -11.933) 17.657 44.203 ( 0.000 16.403 -4.751) 17.077 44.280 ( 0.000 14.244 -8.620) 16.649 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.181 ( -2.719 8.434 -12.497) 15.320 2.752 ( 17.301 -4.910 -5.064) 18.683 3.173 ( 15.986 8.425 -4.131) 18.536 3.390 ( 10.838 1.921 -11.347) 15.809 3.662 ( 5.664 -14.943 18.173) 24.200 4.093 ( 7.034 -2.543 3.525) 8.269 4.469 ( -2.242 -5.846 2.281) 6.663 4.762 ( -13.576 -2.181 11.920) 18.197 4.943 ( -5.567 -16.603 -5.622) 18.392 5.203 ( -4.471 -9.204 5.321) 11.533 5.419 ( -4.654 7.451 0.430) 8.795 5.498 ( -6.260 0.021 2.592) 6.775 5.654 ( 1.140 7.133 3.483) 8.020 5.819 ( -6.502 10.790 -0.847) 12.626 5.965 ( -6.659 1.402 4.333) 8.067 6.284 ( -4.314 -10.974 -10.712) 15.931 7.103 ( 1.596 -1.213 -1.483) 2.493 7.185 ( 0.677 -7.002 -3.398) 7.813 7.441 ( -3.347 13.402 7.487) 15.712 7.663 ( 1.011 -3.380 -2.511) 4.330 7.821 ( 6.409 -0.887 -4.038) 7.627 8.008 ( 4.806 -11.076 -2.226) 12.277 8.283 ( -0.310 4.004 13.196) 13.793 8.865 ( 3.941 -1.787 14.902) 15.518 8.920 ( -5.183 1.064 -3.713) 6.464 9.105 ( 4.436 6.840 -3.584) 8.906 9.424 ( -4.744 -1.142 -8.123) 9.476 9.603 ( -0.375 5.888 -8.468) 10.321 10.317 ( -3.087 0.610 7.898) 8.502 10.383 ( -2.831 2.683 7.022) 8.033 10.517 ( 2.890 -0.209 -0.592) 2.958 10.626 ( 4.421 5.264 -3.123) 7.551 11.412 ( -0.732 3.916 1.935) 4.428 11.588 ( 6.178 2.323 -4.118) 7.779 11.818 ( 0.224 0.555 2.245) 2.324 11.920 ( 0.692 0.613 -2.804) 2.953 12.395 ( 2.905 -17.895 0.683) 18.142 12.512 ( 4.116 -18.197 -2.204) 18.786 12.878 ( -4.726 -4.523 1.472) 6.705 13.022 ( -0.433 0.482 -5.414) 5.453 13.224 ( -1.147 1.387 3.969) 4.358 13.331 ( -0.717 4.317 -0.708) 4.433 13.573 ( -1.648 14.487 -0.719) 14.598 13.638 ( 0.905 13.180 -2.100) 13.377 14.131 ( -0.317 -0.232 5.972) 5.985 14.195 ( 2.841 0.695 1.498) 3.286 14.497 ( 2.517 2.384 -5.646) 6.625 14.767 ( 0.684 2.568 -17.776) 17.974 15.202 ( -0.580 2.759 4.136) 5.006 15.531 ( -1.643 -2.235 -4.256) 5.080 15.719 ( -14.780 2.884 18.161) 23.592 16.571 ( 18.026 -0.780 22.762) 29.046 16.761 ( -20.143 -7.466 -20.957) 30.011 17.479 ( 4.426 -4.756 14.437) 15.831 18.021 ( 8.944 1.910 -20.443) 22.395 18.206 ( 1.129 2.258 -6.473) 6.948 18.693 ( -0.142 -6.645 4.048) 7.783 18.802 ( 1.347 -5.554 2.610) 6.282 19.105 ( -0.794 -0.675 -3.518) 3.669 19.163 ( -3.108 -0.329 -5.390) 6.231 19.270 ( 0.541 6.493 4.436) 7.882 19.403 ( 5.144 4.978 -2.511) 7.586 19.787 ( -1.811 1.876 8.829) 9.206 19.991 ( -3.293 3.738 -1.169) 5.117 20.454 ( -5.411 -4.117 7.512) 10.132 20.616 ( -1.871 -0.920 -1.833) 2.775 20.832 ( 1.387 5.812 -6.462) 8.801 20.915 ( 3.297 5.966 -8.395) 10.814 22.455 ( 1.076 -1.125 3.119) 3.486 22.501 ( 0.773 -0.848 2.154) 2.441 22.542 ( 0.851 1.375 -0.008) 1.617 22.620 ( 0.876 0.934 -2.852) 3.126 24.864 ( -2.349 -14.316 10.332) 17.810 25.426 ( 4.799 -12.487 -16.061) 20.903 25.811 ( -7.254 13.389 17.520) 23.213 26.333 ( 15.137 6.070 28.741) 33.046 26.854 ( -12.038 -2.712 -24.840) 27.736 27.669 ( 7.393 -9.998 -14.986) 19.473 27.969 ( -4.563 6.979 6.196) 10.388 28.249 ( 6.722 8.896 -1.888) 11.308 28.669 ( -1.190 -6.063 -0.212) 6.182 28.785 ( -1.874 -1.826 -3.904) 4.700 28.936 ( -3.459 5.789 0.466) 6.760 29.114 ( -2.571 1.800 -7.368) 8.009 30.166 ( 2.899 -8.312 10.582) 13.765 30.740 ( 7.677 -9.368 -17.373) 21.178 31.295 ( -14.148 4.101 13.684) 20.105 31.763 ( -2.518 -1.216 -7.422) 7.931 32.499 ( 5.054 0.458 1.494) 5.290 32.580 ( 2.611 -1.981 1.504) 3.606 32.745 ( -1.251 5.138 -0.920) 5.367 32.995 ( -1.755 -0.339 -11.306) 11.447 38.080 ( -0.025 -2.072 4.997) 5.410 38.132 ( 2.702 -4.047 2.016) 5.267 38.461 ( -6.845 -1.525 11.380) 13.367 38.866 ( -8.599 -7.106 -8.931) 14.290 39.922 ( 3.684 -0.802 2.493) 4.520 40.015 ( 3.486 -2.724 -1.968) 4.842 40.195 ( 1.514 4.129 4.607) 6.369 40.356 ( 0.105 2.452 -2.730) 3.671 41.321 ( -2.546 -6.190 6.274) 9.174 41.419 ( -1.144 -3.925 1.066) 4.224 41.648 ( -5.975 5.156 0.086) 7.893 41.769 ( -3.671 2.695 -3.868) 5.975 43.214 ( 3.390 -7.642 14.072) 16.368 43.760 ( 7.536 -9.690 -9.794) 15.703 44.166 ( -2.131 14.794 -6.441) 16.275 44.335 ( 3.927 13.063 -10.996) 17.521 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( 17.938 3.705 19.538) 26.781 3.074 ( 10.088 -1.141 17.606) 20.323 3.406 ( 5.023 -6.838 4.392) 9.554 3.604 ( 8.712 -4.440 3.157) 10.275 3.800 ( 6.991 -4.676 5.524) 10.063 4.269 ( -0.120 6.403 5.976) 8.760 4.357 ( 1.620 4.812 2.703) 5.752 4.569 ( -1.643 -10.987 2.178) 11.321 4.881 ( -3.326 -10.538 -4.925) 12.099 5.043 ( -5.097 -4.117 3.676) 7.512 5.240 ( -10.894 4.182 -8.012) 14.155 5.368 ( -8.640 -0.355 -1.875) 8.848 5.669 ( -8.073 4.504 -5.459) 10.736 5.728 ( 2.957 -7.717 -13.390) 15.735 5.815 ( -4.046 4.265 7.413) 9.461 6.173 ( -6.417 -10.735 -10.025) 16.029 7.104 ( -0.252 -0.520 2.561) 2.625 7.207 ( 0.843 -0.081 -1.766) 1.959 7.346 ( -5.477 14.943 6.851) 17.327 7.745 ( 5.500 1.208 -7.590) 9.451 7.943 ( 4.391 -3.392 0.588) 5.580 8.096 ( 3.939 -7.024 4.837) 9.394 8.311 ( 3.531 -4.237 -3.337) 6.447 8.743 ( -9.349 -6.936 -11.766) 16.552 8.980 ( 4.442 3.850 17.328) 18.298 9.217 ( 5.638 9.798 0.024) 11.305 9.333 ( -3.108 0.817 -4.726) 5.715 9.561 ( -3.855 8.813 -7.113) 11.963 10.275 ( -0.989 1.577 9.309) 9.494 10.332 ( -2.146 3.843 8.454) 9.531 10.570 ( 2.132 -1.685 -4.612) 5.353 10.693 ( 1.895 4.932 -7.483) 9.161 11.441 ( 2.838 -0.993 8.737) 9.240 11.710 ( 5.850 -0.749 -2.430) 6.379 11.828 ( 0.477 1.723 2.458) 3.039 11.913 ( -1.518 1.768 -2.694) 3.562 12.469 ( 3.911 -13.992 3.654) 14.981 12.608 ( 4.849 -14.596 -0.970) 15.411 12.775 ( -5.075 -9.002 2.445) 10.619 13.000 ( -1.572 -4.530 -7.156) 8.614 13.188 ( -2.074 4.514 3.376) 6.006 13.330 ( 0.518 3.614 -3.400) 4.989 13.541 ( -1.438 16.709 2.508) 16.957 13.649 ( 0.381 12.155 -2.018) 12.328 14.130 ( 0.080 -0.632 7.708) 7.734 14.266 ( 4.398 0.947 2.308) 5.056 14.496 ( -3.773 -0.092 -1.648) 4.119 14.802 ( 3.073 5.545 -14.696) 16.005 15.205 ( 0.337 -1.031 -2.090) 2.355 15.439 ( -5.383 2.572 9.631) 11.329 15.598 ( 2.240 -0.918 -12.034) 12.275 16.245 ( -22.889 -3.676 -25.927) 34.780 17.019 ( 18.833 -1.173 31.938) 37.096 17.485 ( -3.400 1.102 25.259) 25.510 18.143 ( 2.202 -4.137 -11.153) 12.098 18.270 ( 4.878 0.241 -15.684) 16.427 18.715 ( 3.019 -4.356 8.903) 10.361 18.840 ( 2.248 -2.137 0.026) 3.102 19.044 ( -5.469 -1.536 -4.175) 7.050 19.087 ( -3.842 0.818 -2.068) 4.439 19.311 ( 3.621 2.468 7.863) 9.001 19.512 ( 2.586 -0.214 2.650) 3.709 19.727 ( -1.592 4.666 0.391) 4.946 19.918 ( -3.840 3.376 -2.921) 5.889 20.354 ( -3.508 -5.792 7.661) 10.225 20.609 ( 0.597 5.012 1.322) 5.218 20.848 ( -0.177 4.425 -14.425) 15.090 20.962 ( 1.613 5.213 -13.192) 14.276 22.480 ( 1.181 -0.978 3.023) 3.389 22.515 ( 0.563 -0.356 3.432) 3.496 22.567 ( 1.552 0.152 -0.969) 1.836 22.632 ( 0.132 0.980 -2.460) 2.652 24.814 ( -2.153 -17.734 13.559) 22.427 25.546 ( 6.466 -9.621 -14.425) 18.505 25.709 ( -3.240 13.011 7.004) 15.127 26.472 ( -5.935 10.466 -16.335) 20.288 26.792 ( 11.011 -7.117 23.940) 27.295 27.637 ( -9.413 5.287 24.556) 26.824 28.010 ( 6.870 -10.390 -20.428) 23.926 28.370 ( 4.438 4.599 -8.298) 10.474 28.647 ( -0.161 -3.068 1.110) 3.266 28.765 ( -0.459 2.314 -2.629) 3.532 28.853 ( -3.335 4.433 -2.608) 6.130 29.034 ( -5.339 4.861 -10.722) 12.926 30.246 ( 4.588 -12.223 14.177) 19.272 30.936 ( 9.855 -9.806 -17.332) 22.219 31.023 ( -10.550 6.501 11.365) 16.815 31.625 ( -9.869 0.433 -15.243) 18.164 32.597 ( 2.943 -0.543 4.457) 5.368 32.668 ( 6.017 0.529 0.837) 6.098 32.717 ( -0.658 3.195 2.078) 3.867 32.940 ( -3.777 0.065 -8.335) 9.151 38.095 ( 1.570 -2.650 6.091) 6.825 38.199 ( 3.487 -7.032 1.601) 8.010 38.314 ( -6.363 -1.444 7.951) 10.286 38.667 ( -9.982 -3.881 -8.711) 13.805 40.014 ( 4.951 0.362 2.766) 5.683 40.104 ( 5.113 -0.864 -1.033) 5.288 40.208 ( -0.588 3.221 3.688) 4.932 40.327 ( -3.294 0.594 -1.203) 3.556 41.271 ( -1.482 -3.150 7.720) 8.469 41.408 ( -0.919 2.371 3.967) 4.712 41.540 ( -2.518 0.158 -2.062) 3.258 41.683 ( -4.737 0.073 -4.606) 6.607 43.300 ( 4.190 -10.240 15.555) 19.089 43.881 ( 3.757 3.793 2.480) 5.887 44.141 ( -0.358 4.726 -16.514) 17.180 44.407 ( 2.894 10.784 -14.497) 18.298 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -0.000 -7.782 41.182) 41.911 2.996 ( 0.000 8.800 30.593) 31.834 3.468 ( 0.000 -8.045 1.574) 8.197 3.712 ( 0.000 5.076 3.666) 6.262 3.905 ( 0.000 -15.792 12.182) 19.945 4.174 ( 0.000 3.836 7.471) 8.398 4.412 ( 0.000 -7.903 6.034) 9.943 4.675 ( 0.000 4.048 -5.307) 6.675 4.761 ( -0.000 -0.477 -8.541) 8.555 5.053 ( 0.000 5.028 -4.014) 6.434 5.125 ( 0.000 -5.780 -12.579) 13.844 5.299 ( 0.000 -9.161 2.503) 9.497 5.434 ( -0.000 11.196 -15.848) 19.404 5.785 ( 0.000 8.443 11.781) 14.494 5.830 ( 0.000 -24.470 -25.381) 35.256 6.080 ( -0.000 -7.353 -7.068) 10.200 7.102 ( 0.000 1.063 4.636) 4.756 7.228 ( -0.000 -2.868 -4.628) 5.445 7.269 ( 0.000 19.821 12.503) 23.435 7.810 ( 0.000 9.846 -13.968) 17.090 7.980 ( 0.000 -9.338 9.435) 13.275 8.141 ( 0.000 -2.634 6.938) 7.421 8.393 ( 0.000 -12.414 -12.073) 17.317 8.603 ( -0.000 -5.682 -14.973) 16.014 9.034 ( 0.000 4.240 17.306) 17.818 9.240 ( 0.000 3.454 2.196) 4.093 9.361 ( 0.000 5.517 -2.054) 5.887 9.488 ( 0.000 13.353 -7.787) 15.458 10.270 ( 0.000 1.976 8.832) 9.051 10.306 ( 0.000 3.548 8.978) 9.653 10.593 ( 0.000 -1.899 -5.943) 6.239 10.708 ( 0.000 4.497 -9.118) 10.166 11.478 ( 0.000 -3.994 11.102) 11.799 11.802 ( -0.000 0.280 4.364) 4.373 11.817 ( 0.000 -2.039 -5.812) 6.160 11.882 ( 0.000 5.560 0.055) 5.560 12.518 ( 0.000 -11.033 5.623) 12.383 12.680 ( 0.000 -12.310 5.391) 13.439 12.699 ( -0.000 -12.096 -3.122) 12.492 12.978 ( 0.000 -7.584 -7.769) 10.857 13.163 ( 0.000 4.975 3.045) 5.833 13.338 ( 0.000 3.498 -5.293) 6.344 13.525 ( 0.000 18.230 4.417) 18.757 13.653 ( 0.000 11.758 -2.107) 11.945 14.131 ( 0.000 -0.958 8.301) 8.356 14.359 ( 0.000 9.552 7.230) 11.980 14.395 ( -0.000 -10.757 -3.295) 11.250 14.846 ( 0.000 8.510 -12.517) 15.136 15.200 ( 0.000 -2.977 -3.169) 4.348 15.393 ( 0.000 6.282 5.077) 8.077 15.699 ( 0.000 -9.062 -25.040) 26.629 15.929 ( -0.000 1.761 -17.256) 17.345 17.295 ( 0.000 0.023 29.644) 29.644 17.370 ( -0.000 2.036 30.628) 30.695 18.159 ( 0.000 -5.732 -7.574) 9.499 18.325 ( 0.000 -0.972 -16.663) 16.692 18.793 ( 0.000 -3.420 4.804) 5.897 18.853 ( 0.000 -0.682 6.581) 6.616 18.957 ( 0.000 -1.185 -4.644) 4.793 19.038 ( 0.000 1.718 -0.168) 1.726 19.381 ( -0.000 -1.613 12.368) 12.473 19.472 ( 0.000 0.932 5.345) 5.426 19.777 ( 0.000 2.966 -7.461) 8.029 19.845 ( 0.000 3.650 -4.793) 6.025 20.321 ( 0.000 -6.589 6.529) 9.275 20.619 ( 0.000 9.402 4.160) 10.281 20.840 ( 0.000 2.196 -20.333) 20.451 20.979 ( 0.000 5.502 -14.004) 15.046 22.493 ( 0.000 -0.816 2.778) 2.896 22.521 ( 0.000 -0.316 4.112) 4.124 22.589 ( 0.000 -0.647 -1.954) 2.058 22.629 ( 0.000 1.308 -1.588) 2.057 24.791 ( 0.000 -19.326 14.980) 24.451 25.639 ( 0.000 21.132 14.911) 25.864 25.664 ( -0.000 -19.195 -27.792) 33.777 26.373 ( 0.000 13.588 -21.950) 25.815 26.976 ( 0.000 -12.148 31.761) 34.005 27.487 ( 0.000 12.785 31.807) 34.280 28.098 ( 0.000 -14.382 -20.507) 25.047 28.405 ( 0.000 -0.748 -10.828) 10.854 28.694 ( 0.000 2.839 1.481) 3.202 28.701 ( -0.000 1.458 2.439) 2.842 28.866 ( 0.000 3.532 -8.307) 9.027 28.942 ( 0.000 8.224 -12.942) 15.334 30.306 ( 0.000 -16.103 16.681) 23.185 30.878 ( 0.000 11.235 13.135) 17.284 31.102 ( 0.000 -15.190 -22.325) 27.002 31.479 ( -0.000 4.921 -16.344) 17.069 32.627 ( 0.000 0.388 4.719) 4.735 32.685 ( 0.000 2.873 5.657) 6.345 32.790 ( 0.000 -1.706 -4.164) 4.500 32.867 ( 0.000 1.580 -4.466) 4.738 38.130 ( -0.000 -4.529 6.634) 8.033 38.193 ( 0.000 -0.640 9.777) 9.798 38.290 ( 0.000 -10.535 -2.197) 10.762 38.540 ( -0.000 0.502 -8.526) 8.541 40.082 ( 0.000 0.540 3.084) 3.131 40.176 ( -0.000 3.374 3.426) 4.809 40.201 ( 0.000 -0.451 -2.473) 2.513 40.255 ( -0.000 0.258 0.764) 0.806 41.264 ( 0.000 -1.518 9.236) 9.360 41.379 ( 0.000 5.362 6.077) 8.104 41.562 ( -0.000 -3.896 -4.793) 6.176 41.602 ( 0.000 -0.074 -4.660) 4.661 43.347 ( 0.000 -11.764 15.496) 19.455 43.914 ( 0.000 14.900 12.122) 19.209 44.141 ( 0.000 -4.264 -24.673) 25.039 44.437 ( 0.000 9.645 -15.771) 18.487 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.328 ( 0.000 0.662 -16.564) 16.577 2.577 ( 0.000 -5.223 -23.176) 23.757 3.052 ( 0.000 -5.569 14.141) 15.198 3.336 ( 0.000 16.988 -9.499) 19.463 3.568 ( 0.000 12.786 -7.697) 14.924 3.988 ( 0.000 -1.676 1.471) 2.230 4.375 ( 0.000 -5.032 -6.187) 7.975 4.412 ( 0.000 -22.119 -24.435) 32.959 4.925 ( 0.000 -12.543 8.521) 15.163 5.070 ( 0.000 -6.682 11.290) 13.119 5.467 ( 0.000 -5.615 1.332) 5.771 5.550 ( 0.000 -4.324 6.736) 8.005 5.807 ( 0.000 0.683 6.245) 6.282 6.026 ( 0.000 -8.804 -0.515) 8.819 6.147 ( 0.000 12.055 8.455) 14.725 6.203 ( 0.000 7.808 -1.279) 7.912 6.979 ( 0.000 -10.782 -5.883) 12.283 7.038 ( 0.000 0.905 -4.063) 4.163 7.532 ( 0.000 -0.122 11.139) 11.140 7.650 ( 0.000 -5.744 2.237) 6.164 7.766 ( 0.000 5.171 -1.831) 5.485 7.988 ( 0.000 9.730 -3.549) 10.356 8.324 ( 0.000 -0.816 15.750) 15.771 8.611 ( 0.000 -13.306 4.489) 14.043 9.147 ( 0.000 12.963 10.724) 16.825 9.181 ( 0.000 6.406 -5.277) 8.300 9.471 ( 0.000 1.373 -9.297) 9.398 9.775 ( 0.000 11.160 -10.024) 15.001 10.325 ( 0.000 -5.714 3.634) 6.772 10.363 ( 0.000 -1.284 4.764) 4.934 10.587 ( 0.000 4.609 5.676) 7.311 10.635 ( 0.000 1.911 2.225) 2.933 11.557 ( 0.000 3.216 3.376) 4.663 11.579 ( 0.000 1.047 7.552) 7.624 11.776 ( 0.000 -2.764 1.241) 3.030 11.901 ( 0.000 -2.468 -3.047) 3.922 12.085 ( 0.000 -7.330 -8.293) 11.068 12.119 ( 0.000 -12.875 -5.647) 14.059 12.805 ( 0.000 -8.183 0.948) 8.238 12.936 ( 0.000 -8.383 -4.344) 9.442 13.304 ( 0.000 6.860 5.336) 8.691 13.444 ( 0.000 3.896 -0.627) 3.946 13.864 ( 0.000 11.361 -0.027) 11.361 13.905 ( 0.000 13.564 -0.704) 13.583 14.184 ( 0.000 4.626 -0.307) 4.636 14.209 ( 0.000 6.128 -2.831) 6.750 14.517 ( 0.000 2.350 -3.167) 3.944 14.768 ( 0.000 -2.747 -16.287) 16.517 15.303 ( 0.000 4.249 4.681) 6.322 15.501 ( 0.000 -3.484 1.802) 3.922 16.090 ( 0.000 4.440 32.444) 32.747 16.148 ( 0.000 -1.896 11.582) 11.736 17.010 ( 0.000 -6.233 -28.220) 28.901 17.079 ( 0.000 -11.120 -5.907) 12.592 18.031 ( 0.000 5.021 -1.332) 5.195 18.260 ( 0.000 2.913 -3.943) 4.902 18.546 ( 0.000 -12.107 1.063) 12.154 18.586 ( 0.000 -6.361 -4.569) 7.832 19.143 ( 0.000 1.400 -5.795) 5.962 19.184 ( 0.000 -0.370 -6.184) 6.195 19.458 ( 0.000 10.248 3.709) 10.898 19.472 ( 0.000 6.265 2.829) 6.874 19.843 ( 0.000 1.111 11.602) 11.655 20.035 ( 0.000 -2.317 0.864) 2.473 20.487 ( 0.000 2.383 3.526) 4.256 20.637 ( 0.000 0.777 3.392) 3.480 20.928 ( 0.000 3.629 -4.992) 6.172 20.990 ( 0.000 6.269 -2.303) 6.679 22.426 ( 0.000 -0.664 2.305) 2.399 22.462 ( 0.000 -1.801 1.922) 2.634 22.572 ( 0.000 1.910 -0.261) 1.928 22.625 ( 0.000 0.539 -2.728) 2.781 24.680 ( 0.000 -7.178 5.621) 9.117 25.104 ( 0.000 -14.675 -15.841) 21.593 26.080 ( 0.000 5.131 16.846) 17.610 26.255 ( 0.000 3.980 28.472) 28.749 26.982 ( 0.000 1.652 -26.052) 26.104 27.364 ( 0.000 -8.350 -22.012) 23.543 28.249 ( 0.000 8.221 10.556) 13.380 28.293 ( 0.000 3.926 1.226) 4.113 28.591 ( 0.000 -0.655 0.753) 0.998 28.807 ( 0.000 3.936 -6.587) 7.674 29.059 ( 0.000 2.668 1.093) 2.883 29.108 ( 0.000 -4.553 0.896) 4.640 30.002 ( 0.000 -5.260 2.177) 5.693 30.421 ( 0.000 -14.364 -17.049) 22.293 31.552 ( 0.000 3.852 8.217) 9.075 31.717 ( 0.000 -1.832 0.172) 1.840 32.476 ( 0.000 1.322 0.234) 1.343 32.510 ( 0.000 -0.915 0.585) 1.086 32.856 ( 0.000 4.171 -3.223) 5.271 32.997 ( 0.000 -1.177 -9.282) 9.356 38.038 ( 0.000 -2.687 4.498) 5.240 38.041 ( 0.000 -2.743 4.392) 5.178 38.502 ( 0.000 -1.527 8.655) 8.788 38.762 ( 0.000 -10.738 -3.481) 11.288 39.868 ( 0.000 0.129 0.615) 0.628 39.926 ( 0.000 -1.538 -2.554) 2.982 40.277 ( 0.000 5.550 5.007) 7.475 40.413 ( 0.000 2.483 -1.529) 2.916 41.207 ( 0.000 -6.640 4.468) 8.003 41.294 ( 0.000 -7.620 -0.433) 7.633 41.824 ( 0.000 4.876 1.967) 5.257 41.886 ( 0.000 2.916 -0.485) 2.956 43.118 ( 0.000 -0.356 6.976) 6.985 43.435 ( 0.000 -10.063 -8.801) 13.369 44.505 ( 0.000 12.920 -8.668) 15.559 44.528 ( 0.000 10.584 -9.033) 13.915 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.310 ( -1.828 1.651 -13.099) 13.329 2.684 ( 12.966 -3.230 -8.551) 15.864 3.078 ( 5.518 -7.676 20.711) 22.766 3.459 ( 8.089 8.520 -7.150) 13.753 3.719 ( 9.271 10.211 -5.213) 14.744 4.086 ( 11.361 2.480 -7.322) 13.742 4.359 ( -0.522 -6.479 -6.298) 9.051 4.482 ( 5.241 -19.518 -21.916) 29.812 4.757 ( -12.030 -5.759 14.069) 19.386 5.029 ( -5.753 -8.017 6.909) 12.046 5.380 ( -7.536 -6.694 -0.021) 10.079 5.480 ( -7.138 -3.068 3.681) 8.597 5.793 ( -3.151 1.532 4.002) 5.319 5.953 ( -11.071 4.488 2.241) 12.154 6.027 ( -2.657 -8.218 -2.104) 8.889 6.133 ( -8.780 9.276 -1.888) 12.911 6.969 ( 1.994 -7.578 1.039) 7.904 7.206 ( 10.552 5.031 -7.858) 14.086 7.482 ( -1.690 -6.943 8.614) 11.192 7.676 ( 0.631 -6.140 -0.339) 6.181 7.794 ( 2.418 11.065 5.687) 12.674 8.024 ( 3.594 4.778 -1.677) 6.210 8.271 ( -3.619 -2.215 8.465) 9.469 8.632 ( -0.550 -12.656 -1.884) 12.808 9.131 ( 0.263 13.666 11.240) 17.696 9.254 ( 5.270 6.118 -0.706) 8.106 9.431 ( -3.080 2.727 -7.578) 8.623 9.790 ( 1.077 11.664 -8.534) 14.493 10.306 ( -1.378 -2.225 6.987) 7.461 10.378 ( 1.253 -2.376 4.233) 5.013 10.548 ( -1.553 1.984 3.360) 4.200 10.720 ( 5.085 3.644 -2.366) 6.688 11.508 ( -2.545 5.204 6.785) 8.921 11.609 ( 1.608 -3.093 6.554) 7.423 11.766 ( -0.517 -3.173 0.425) 3.243 11.932 ( 2.595 -0.910 -3.296) 4.292 12.109 ( 4.030 -11.877 -4.247) 13.242 12.228 ( 7.808 -7.723 -4.437) 11.844 12.736 ( -6.063 -7.543 2.139) 9.912 12.905 ( -2.977 -8.983 -5.077) 10.740 13.319 ( 0.513 5.948 3.686) 7.016 13.418 ( -1.949 3.362 -1.507) 4.168 13.850 ( -1.017 11.465 -0.292) 11.513 13.905 ( -0.047 13.547 0.950) 13.580 14.163 ( -0.731 3.875 1.635) 4.269 14.243 ( 1.636 5.028 -2.411) 5.811 14.564 ( 3.709 3.606 -2.761) 5.864 14.780 ( 1.551 -2.148 -14.651) 14.889 15.255 ( -3.866 2.649 2.670) 5.394 15.470 ( -3.013 -4.140 2.683) 5.781 15.781 ( -12.441 3.096 10.395) 16.505 16.531 ( 5.649 -3.945 6.648) 9.575 16.642 ( -5.145 -2.343 -4.199) 7.042 17.374 ( 12.170 -5.772 -1.104) 13.514 18.043 ( 0.739 0.185 -5.489) 5.542 18.241 ( -1.862 0.428 -4.513) 4.900 18.552 ( 2.747 -6.359 1.905) 7.184 18.665 ( 5.607 -6.780 -4.458) 9.863 19.110 ( -2.894 0.845 -5.092) 5.917 19.159 ( -2.752 -0.238 -5.573) 6.220 19.428 ( -1.634 8.350 6.515) 10.716 19.510 ( 2.624 5.831 3.164) 7.134 19.814 ( -2.419 0.663 10.146) 10.452 20.032 ( -1.094 -0.954 -0.604) 1.572 20.399 ( -8.842 -1.556 12.882) 15.702 20.641 ( 2.439 4.841 -2.422) 5.937 20.925 ( 2.076 2.787 -6.945) 7.766 21.053 ( 2.513 7.265 -8.180) 11.225 22.438 ( 1.165 -0.627 2.548) 2.871 22.472 ( 0.879 -1.861 2.353) 3.126 22.572 ( 0.052 1.536 -0.500) 1.616 22.638 ( 1.026 0.747 -2.970) 3.230 24.618 ( -5.195 -9.519 7.768) 13.339 25.162 ( 5.061 -13.407 -18.744) 23.594 26.038 ( -2.183 9.222 15.129) 17.852 26.397 ( 11.327 -0.371 28.587) 30.751 26.843 ( -10.502 2.319 -24.150) 26.437 27.488 ( 9.335 -7.977 -19.356) 22.922 28.107 ( -9.256 6.233 12.036) 16.413 28.380 ( 3.211 2.691 -1.733) 4.534 28.600 ( 1.200 0.903 1.867) 2.396 28.805 ( 0.460 4.387 -6.434) 7.801 29.020 ( -3.580 2.123 1.455) 4.410 29.118 ( 0.442 -1.730 -0.707) 1.921 30.005 ( 0.480 -6.333 4.060) 7.538 30.496 ( 6.993 -14.667 -18.536) 24.649 31.378 ( -12.305 3.932 10.014) 16.345 31.739 ( -1.955 -1.041 -6.404) 6.776 32.513 ( 4.271 0.945 2.663) 5.121 32.560 ( 4.049 -0.284 0.633) 4.108 32.836 ( -1.915 4.051 -1.464) 4.714 32.981 ( -1.560 -1.126 -8.402) 8.619 38.031 ( -0.504 -2.841 4.680) 5.498 38.045 ( 0.340 -4.065 3.784) 5.564 38.424 ( -6.834 -1.889 8.252) 10.880 38.701 ( -5.615 -8.630 -4.915) 11.409 39.919 ( 4.756 0.403 1.183) 4.917 39.983 ( 5.040 -0.718 -1.913) 5.438 40.280 ( -0.038 4.403 4.629) 6.389 40.399 ( -1.581 1.824 -1.165) 2.681 41.201 ( -0.248 -5.470 5.073) 7.465 41.311 ( 1.847 -6.507 -0.736) 6.804 41.745 ( -6.664 4.073 1.927) 8.044 41.827 ( -5.757 3.130 -1.385) 6.697 43.099 ( 0.344 -3.848 11.233) 11.879 43.603 ( 13.211 -6.068 -10.669) 18.033 44.440 ( -4.643 11.797 -7.193) 14.577 44.568 ( 2.078 10.152 -11.031) 15.135 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.369 ( 8.798 -2.283 18.559) 20.665 3.007 ( 14.955 -4.184 6.032) 16.660 3.256 ( 10.171 -5.727 14.328) 18.481 3.551 ( -2.195 0.997 10.665) 10.934 3.790 ( 2.351 0.546 -1.824) 3.026 4.293 ( -0.083 -4.242 -1.904) 4.651 4.426 ( 1.286 1.341 1.654) 2.488 4.552 ( 7.190 4.114 -11.661) 14.304 4.641 ( 5.117 -9.873 -6.059) 12.664 4.916 ( -1.194 -6.695 -0.944) 6.866 5.209 ( -9.583 -8.419 -6.139) 14.156 5.326 ( -5.853 -3.780 -6.812) 9.744 5.543 ( -16.694 -0.879 -6.224) 17.838 5.855 ( -4.917 2.772 0.315) 5.653 5.889 ( -10.797 6.668 -8.649) 15.357 5.975 ( -2.657 -6.808 -4.161) 8.409 7.037 ( 3.741 -2.490 7.719) 8.932 7.288 ( -1.082 4.375 0.976) 4.611 7.577 ( 6.754 -10.578 0.816) 12.577 7.684 ( 2.883 4.811 4.088) 6.940 7.843 ( 1.693 3.174 7.419) 8.246 8.085 ( 1.831 -3.091 -0.847) 3.691 8.240 ( 0.820 2.063 -4.764) 5.256 8.542 ( -7.397 -11.227 -10.610) 17.127 9.171 ( 3.305 12.792 15.455) 20.333 9.316 ( -1.566 3.493 6.060) 7.167 9.416 ( 3.417 5.160 -5.977) 8.604 9.800 ( -0.207 13.861 -8.094) 16.053 10.293 ( 0.372 0.012 7.729) 7.738 10.387 ( -0.917 0.877 7.072) 7.185 10.540 ( 0.714 -1.489 -2.967) 3.396 10.792 ( 1.874 4.819 -8.710) 10.129 11.487 ( 0.344 5.569 9.967) 11.423 11.639 ( 1.202 -8.946 9.136) 12.843 11.771 ( 1.049 -1.823 -1.993) 2.898 11.981 ( 1.830 1.475 -3.628) 4.323 12.235 ( 7.983 -11.428 1.924) 14.073 12.377 ( 6.143 -6.459 1.110) 8.982 12.597 ( -7.255 -7.351 2.934) 10.737 12.830 ( -4.042 -9.797 -6.373) 12.366 13.290 ( -2.828 3.990 1.860) 5.232 13.401 ( 0.085 2.069 -4.968) 5.382 13.837 ( -0.133 10.913 0.688) 10.936 13.904 ( -0.005 15.109 2.336) 15.289 14.154 ( -0.326 2.641 4.448) 5.183 14.259 ( 0.056 0.774 -1.266) 1.485 14.584 ( -2.328 6.345 2.925) 7.365 14.864 ( 6.653 0.307 -10.220) 12.199 15.194 ( -2.157 0.387 -4.372) 4.891 15.424 ( 0.234 -4.302 -1.342) 4.513 15.607 ( -5.988 1.297 -3.767) 7.193 16.164 ( -18.736 -3.608 -21.867) 29.020 17.028 ( 20.700 2.370 27.304) 34.345 17.508 ( 0.439 1.306 15.786) 15.846 18.049 ( 0.309 -6.432 -8.102) 10.350 18.201 ( -1.848 -6.560 -9.430) 11.635 18.655 ( 6.882 -0.790 3.114) 7.595 18.781 ( 5.440 -3.060 -3.644) 7.228 19.031 ( -5.121 0.190 -3.860) 6.415 19.086 ( -3.820 -0.658 -4.278) 5.773 19.404 ( -0.689 6.253 13.586) 14.972 19.546 ( -0.341 2.808 10.333) 10.713 19.782 ( 0.671 1.514 2.440) 2.949 19.969 ( -5.005 0.709 -1.571) 5.293 20.233 ( -5.698 -6.188 11.725) 14.431 20.730 ( 5.462 8.113 -2.956) 10.218 20.975 ( 1.210 5.544 -13.411) 14.562 21.064 ( -0.485 5.777 -13.742) 14.915 22.466 ( 1.424 -0.492 2.762) 3.146 22.490 ( 0.771 -1.827 3.595) 4.106 22.576 ( 0.346 0.598 -1.513) 1.663 22.654 ( 0.437 1.152 -3.000) 3.243 24.515 ( -4.310 -12.407 10.967) 17.111 25.274 ( 5.253 -13.158 -25.097) 28.820 26.009 ( -1.001 13.215 12.388) 18.141 26.613 ( 1.958 -1.124 5.071) 5.550 26.671 ( 1.248 -0.022 4.140) 4.324 27.665 ( 7.194 -4.727 -8.428) 12.047 27.915 ( -8.828 3.171 8.804) 12.865 28.386 ( -2.068 -2.442 -6.474) 7.222 28.656 ( 4.436 3.915 3.777) 7.019 28.837 ( 1.451 4.472 -3.731) 6.002 28.935 ( -3.736 3.350 -0.240) 5.024 29.110 ( -1.309 2.248 -4.547) 5.238 30.023 ( 1.092 -8.690 8.346) 12.098 30.665 ( 8.631 -16.136 -21.541) 28.264 31.152 ( -9.177 5.543 10.346) 14.899 31.634 ( -6.907 0.479 -12.646) 14.417 32.605 ( 3.798 1.143 3.623) 5.372 32.668 ( 6.365 -0.298 0.251) 6.377 32.787 ( -2.719 3.470 1.993) 4.838 32.934 ( -3.070 -0.760 -5.872) 6.670 38.023 ( -0.185 -4.584 4.596) 6.494 38.064 ( 1.834 -5.661 2.857) 6.601 38.274 ( -7.259 -2.093 7.499) 10.645 38.575 ( -5.844 -4.930 -7.105) 10.437 40.034 ( 6.092 1.549 1.930) 6.575 40.102 ( 6.487 0.447 -0.908) 6.565 40.262 ( -1.910 2.360 3.516) 4.645 40.341 ( -4.308 0.860 -0.306) 4.404 41.211 ( 1.346 -2.683 6.455) 7.119 41.374 ( 4.381 -5.116 -1.338) 6.867 41.595 ( -7.451 4.215 2.090) 8.812 41.694 ( -6.592 1.111 -1.916) 6.954 43.137 ( 2.483 -6.120 15.756) 17.085 43.877 ( 13.326 -1.473 -12.879) 18.591 44.320 ( -7.581 9.703 -5.294) 13.403 44.601 ( 1.125 8.479 -13.018) 15.576 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( 0.000 -8.721 40.626) 41.551 3.156 ( -0.000 7.024 24.438) 25.427 3.286 ( 0.000 -10.095 -0.090) 10.095 3.601 ( 0.000 -11.216 8.307) 13.957 3.814 ( 0.000 5.481 0.716) 5.527 4.243 ( 0.000 2.982 16.315) 16.585 4.325 ( 0.000 -4.634 2.286) 5.167 4.712 ( 0.000 0.015 2.574) 2.574 4.799 ( 0.000 -0.466 -16.667) 16.673 4.958 ( 0.000 -10.061 -26.406) 28.258 5.132 ( 0.000 -7.474 1.973) 7.730 5.142 ( -0.000 3.922 -9.937) 10.683 5.407 ( 0.000 -12.632 -14.868) 19.510 5.654 ( -0.000 9.315 -24.914) 26.599 5.858 ( 0.000 0.662 5.501) 5.541 5.947 ( 0.000 -2.872 -3.607) 4.611 7.079 ( 0.000 -0.324 9.751) 9.757 7.273 ( 0.000 1.724 3.900) 4.264 7.609 ( 0.000 -5.568 9.173) 10.731 7.788 ( 0.000 11.150 6.049) 12.685 7.829 ( 0.000 -5.345 2.513) 5.906 8.148 ( 0.000 -11.590 -9.580) 15.037 8.221 ( -0.000 5.188 -5.418) 7.502 8.444 ( 0.000 -7.118 -13.193) 14.991 9.232 ( -0.000 14.723 21.401) 25.976 9.264 ( 0.000 0.494 4.386) 4.414 9.469 ( 0.000 3.991 -4.360) 5.911 9.793 ( 0.000 15.606 -8.756) 17.895 10.308 ( 0.000 1.238 6.301) 6.422 10.363 ( 0.000 1.712 8.568) 8.737 10.553 ( 0.000 -2.441 -5.116) 5.668 10.806 ( 0.000 5.397 -11.042) 12.290 11.497 ( 0.000 5.414 10.658) 11.955 11.651 ( 0.000 -11.793 10.860) 16.032 11.788 ( 0.000 -0.947 -3.827) 3.942 11.998 ( 0.000 2.493 -3.217) 4.070 12.383 ( 0.000 -2.639 5.941) 6.501 12.408 ( 0.000 -13.991 7.864) 16.049 12.501 ( 0.000 -7.288 -0.612) 7.314 12.779 ( 0.000 -10.040 -7.531) 12.551 13.254 ( 0.000 2.830 0.865) 2.959 13.403 ( 0.000 1.244 -7.029) 7.138 13.838 ( 0.000 10.983 1.141) 11.043 13.905 ( 0.000 16.057 2.750) 16.291 14.150 ( 0.000 1.944 5.629) 5.955 14.256 ( 0.000 -3.008 -0.663) 3.081 14.545 ( 0.000 8.712 6.363) 10.788 14.957 ( 0.000 2.411 -5.600) 6.097 15.161 ( 0.000 -0.914 -6.928) 6.988 15.482 ( 0.000 2.461 2.885) 3.792 15.519 ( -0.000 -8.923 -24.843) 26.397 15.942 ( -0.000 0.324 -15.151) 15.154 17.350 ( 0.000 6.111 19.545) 20.478 17.400 ( -0.000 1.101 28.876) 28.896 18.062 ( -0.000 -4.039 -3.236) 5.175 18.176 ( 0.000 -14.141 -16.483) 21.718 18.765 ( 0.000 1.306 0.548) 1.417 18.839 ( 0.000 -0.431 3.016) 3.047 18.953 ( 0.000 0.452 -5.559) 5.578 19.035 ( 0.000 -1.853 -3.268) 3.757 19.398 ( -0.000 2.731 22.156) 22.324 19.522 ( 0.000 3.867 10.586) 11.270 19.835 ( 0.000 2.392 -3.666) 4.378 19.878 ( 0.000 -0.172 -0.617) 0.641 20.180 ( 0.000 -7.415 8.663) 11.403 20.805 ( 0.000 9.317 1.551) 9.445 20.962 ( 0.000 8.997 -25.750) 27.276 21.065 ( 0.000 2.864 -11.227) 11.586 22.484 ( 0.000 -0.107 2.075) 2.078 22.497 ( 0.000 -1.939 5.146) 5.499 22.581 ( 0.000 -0.203 -2.487) 2.495 22.657 ( 0.000 1.504 -2.660) 3.055 24.469 ( 0.000 -13.477 12.245) 18.210 25.334 ( 0.000 -13.914 -29.250) 32.391 25.996 ( 0.000 15.022 11.886) 19.156 26.554 ( 0.000 4.999 -16.147) 16.903 26.775 ( 0.000 -8.152 27.881) 29.048 27.729 ( 0.000 12.006 25.322) 28.024 27.826 ( 0.000 -12.318 -21.463) 24.747 28.352 ( 0.000 -3.637 -7.505) 8.340 28.742 ( 0.000 2.376 3.999) 4.652 28.796 ( 0.000 6.684 3.641) 7.611 28.926 ( 0.000 2.327 -6.515) 6.918 29.086 ( 0.000 5.398 -7.261) 9.048 30.037 ( 0.000 -10.069 10.854) 14.806 30.770 ( 0.000 -18.017 -23.543) 29.646 31.052 ( 0.000 6.681 10.000) 12.027 31.547 ( 0.000 2.285 -13.931) 14.117 32.651 ( 0.000 1.825 2.940) 3.460 32.743 ( 0.000 2.878 4.948) 5.725 32.761 ( -0.000 -1.371 -2.659) 2.991 32.884 ( 0.000 0.146 -2.945) 2.949 38.022 ( 0.000 -5.975 4.565) 7.519 38.105 ( 0.000 -7.627 0.311) 7.633 38.176 ( 0.000 -0.830 9.222) 9.259 38.510 ( 0.000 -2.886 -8.065) 8.566 40.118 ( 0.000 2.757 2.518) 3.734 40.220 ( -0.000 1.072 2.451) 2.676 40.223 ( 0.000 2.342 -2.522) 3.441 40.245 ( -0.000 -0.952 2.178) 2.377 41.234 ( 0.000 -1.330 7.526) 7.643 41.454 ( 0.000 -6.821 -2.862) 7.397 41.492 ( 0.000 5.652 3.435) 6.615 41.609 ( 0.000 0.726 -2.161) 2.280 43.166 ( 0.000 -6.717 17.184) 18.450 44.089 ( -0.000 -1.377 -28.773) 28.805 44.166 ( 0.000 10.428 10.759) 14.984 44.612 ( 0.000 7.722 -13.807) 15.820 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.339 ( 0.000 0.295 -18.026) 18.028 2.387 ( 0.000 -6.792 -18.014) 19.251 3.187 ( 0.000 12.920 -7.440) 14.910 3.442 ( 0.000 -8.877 -15.508) 17.869 3.874 ( 0.000 14.188 -10.618) 17.721 3.960 ( 0.000 0.898 -9.452) 9.494 4.208 ( 0.000 0.147 -8.169) 8.170 4.258 ( 0.000 -5.843 -3.170) 6.648 4.750 ( 0.000 -3.791 3.386) 5.083 4.850 ( 0.000 -13.050 2.648) 13.316 5.364 ( 0.000 -2.893 5.281) 6.022 5.409 ( 0.000 -7.040 5.832) 9.142 5.811 ( 0.000 0.979 4.511) 4.616 5.862 ( 0.000 -4.993 1.780) 5.301 6.333 ( 0.000 6.059 5.913) 8.466 6.365 ( 0.000 3.952 5.339) 6.643 6.881 ( 0.000 2.207 3.395) 4.049 6.998 ( 0.000 -6.011 5.617) 8.226 7.550 ( 0.000 1.354 4.923) 5.106 7.578 ( 0.000 -2.028 3.581) 4.116 7.876 ( 0.000 7.961 -7.806) 11.149 8.047 ( 0.000 -5.705 -8.842) 10.523 8.354 ( 0.000 3.231 9.147) 9.701 8.420 ( 0.000 -4.897 4.589) 6.711 9.281 ( 0.000 3.990 -1.821) 4.386 9.314 ( 0.000 1.732 2.758) 3.256 9.637 ( 0.000 15.307 -0.611) 15.319 9.877 ( 0.000 -4.639 -3.358) 5.726 10.253 ( 0.000 0.468 5.239) 5.260 10.312 ( 0.000 -3.643 5.130) 6.292 10.640 ( 0.000 0.941 3.536) 3.659 10.646 ( 0.000 -0.128 2.899) 2.902 11.507 ( 0.000 -3.207 12.571) 12.974 11.535 ( 0.000 -4.488 10.022) 10.981 11.802 ( 0.000 2.766 -2.129) 3.491 11.833 ( 0.000 -1.629 -2.483) 2.970 12.016 ( 0.000 -0.813 -9.664) 9.698 12.023 ( 0.000 -1.240 -10.266) 10.341 12.701 ( 0.000 -1.121 -0.854) 1.409 12.770 ( 0.000 -7.319 -3.658) 8.183 13.431 ( 0.000 4.970 4.095) 6.439 13.481 ( 0.000 -0.215 1.530) 1.545 14.036 ( 0.000 5.992 4.741) 7.641 14.067 ( 0.000 3.145 3.810) 4.941 14.324 ( 0.000 8.593 -5.057) 9.971 14.360 ( 0.000 6.441 -5.352) 8.374 14.537 ( 0.000 0.178 -4.735) 4.739 14.636 ( 0.000 -9.652 -10.767) 14.460 15.371 ( 0.000 2.853 4.252) 5.120 15.428 ( 0.000 -3.390 4.983) 6.026 16.154 ( 0.000 1.808 10.430) 10.585 16.163 ( 0.000 1.960 21.835) 21.922 16.903 ( 0.000 -3.421 -23.765) 24.010 16.918 ( 0.000 -5.028 -12.237) 13.230 18.127 ( 0.000 5.363 3.310) 6.302 18.246 ( 0.000 -5.806 2.989) 6.530 18.411 ( 0.000 0.277 -5.030) 5.038 18.474 ( 0.000 -4.849 -5.755) 7.526 19.165 ( 0.000 0.848 -7.139) 7.189 19.177 ( 0.000 -0.414 -6.989) 7.002 19.585 ( 0.000 4.804 5.810) 7.539 19.610 ( 0.000 3.819 4.732) 6.081 19.853 ( 0.000 1.644 7.270) 7.454 19.943 ( 0.000 -6.182 2.287) 6.591 20.579 ( 0.000 5.615 6.149) 8.327 20.650 ( 0.000 -0.980 7.336) 7.402 20.997 ( 0.000 3.656 -3.566) 5.107 21.048 ( 0.000 -0.465 -2.205) 2.254 22.418 ( 0.000 -0.018 1.813) 1.813 22.430 ( 0.000 -1.253 1.977) 2.340 22.606 ( 0.000 1.476 -1.237) 1.926 22.626 ( 0.000 -0.516 -2.215) 2.274 24.652 ( 0.000 4.435 -3.727) 5.793 24.829 ( 0.000 -12.729 -12.536) 17.866 26.171 ( 0.000 4.448 16.839) 17.416 26.251 ( 0.000 -3.218 19.779) 20.039 27.075 ( 0.000 6.796 -20.194) 21.307 27.215 ( 0.000 -7.306 -19.173) 20.518 28.317 ( 0.000 -0.055 3.542) 3.542 28.319 ( 0.000 0.162 5.464) 5.466 28.707 ( 0.000 11.030 5.125) 12.162 28.907 ( 0.000 -2.191 -1.139) 2.469 28.985 ( 0.000 -1.068 1.459) 1.808 29.062 ( 0.000 -2.622 -0.596) 2.689 29.982 ( 0.000 3.842 -6.949) 7.940 30.148 ( 0.000 -12.431 -14.372) 19.002 31.623 ( 0.000 3.246 4.080) 5.214 31.677 ( 0.000 -2.367 1.383) 2.741 32.496 ( 0.000 0.688 0.702) 0.983 32.503 ( 0.000 -0.127 0.788) 0.798 32.922 ( 0.000 2.737 -4.102) 4.931 32.966 ( 0.000 -1.912 -6.185) 6.474 38.000 ( 0.000 -1.079 4.861) 4.979 38.001 ( 0.000 -1.192 4.846) 4.991 38.500 ( 0.000 1.770 4.748) 5.067 38.584 ( 0.000 -6.971 0.995) 7.042 39.882 ( 0.000 1.033 -0.565) 1.177 39.903 ( 0.000 -1.083 -1.744) 2.053 40.380 ( 0.000 4.554 3.663) 5.845 40.435 ( 0.000 -0.718 0.972) 1.208 41.122 ( 0.000 -1.312 2.682) 2.986 41.163 ( 0.000 -5.132 0.351) 5.144 41.896 ( 0.000 2.481 2.198) 3.315 41.918 ( 0.000 0.279 1.324) 1.353 43.159 ( 0.000 4.141 1.093) 4.283 43.269 ( 0.000 -7.060 -4.346) 8.291 44.674 ( 0.000 4.070 -9.615) 10.441 44.674 ( 0.000 4.249 -10.000) 10.865 ======================= Grid point 218 (78/96) ======================= q-point: ( 0.17 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.263 ( -1.589 -2.751 -10.871) 11.325 2.629 ( 16.918 -1.669 -14.529) 22.363 3.106 ( -1.409 5.553 0.849) 5.791 3.536 ( 7.106 -2.908 -15.421) 17.227 3.850 ( -5.882 3.773 5.313) 8.779 4.122 ( 9.836 0.020 -17.147) 19.768 4.254 ( 4.644 0.564 -4.340) 6.382 4.312 ( 9.230 -1.705 -10.955) 14.426 4.650 ( -5.740 -3.669 7.325) 10.003 4.876 ( 0.423 -6.230 -4.323) 7.595 5.252 ( -9.782 -4.773 10.407) 15.059 5.396 ( -3.389 -3.664 2.723) 5.686 5.779 ( -4.032 -1.149 3.004) 5.158 5.865 ( 0.566 -3.464 0.279) 3.521 6.059 ( -17.684 2.606 1.820) 17.967 6.294 ( -9.951 4.385 -1.829) 11.028 6.909 ( 4.702 0.963 10.010) 11.101 7.218 ( 14.752 -3.689 1.532) 15.283 7.442 ( -6.385 2.401 1.593) 7.005 7.571 ( -2.279 -3.476 2.818) 5.021 7.907 ( 0.301 1.272 -1.011) 1.652 8.094 ( 4.823 1.379 -6.436) 8.160 8.265 ( -3.217 0.469 5.231) 6.160 8.464 ( -0.769 -3.461 -1.312) 3.780 9.304 ( 1.139 3.968 -0.735) 4.193 9.344 ( 3.352 1.582 -0.267) 3.716 9.591 ( -2.865 11.615 7.609) 14.178 9.938 ( 4.292 1.128 -3.133) 5.432 10.265 ( 1.015 0.069 5.729) 5.819 10.316 ( 0.929 -3.709 5.238) 6.485 10.562 ( -3.064 -0.160 2.760) 4.127 10.763 ( 6.205 0.941 -2.563) 6.779 11.479 ( -1.343 -5.064 11.936) 13.036 11.580 ( 2.811 1.016 9.977) 10.415 11.766 ( -1.780 0.170 -1.586) 2.390 11.856 ( 2.021 -2.741 -2.307) 4.113 11.993 ( 2.111 -1.463 -7.020) 7.475 12.170 ( 8.605 -0.725 -6.472) 10.792 12.647 ( -4.980 -0.867 0.078) 5.055 12.738 ( -2.974 -6.865 -4.371) 8.665 13.414 ( -2.163 3.166 3.440) 5.151 13.451 ( -2.418 0.254 -0.322) 2.453 14.005 ( -1.824 4.176 3.514) 5.754 14.102 ( 2.343 5.688 4.721) 7.755 14.282 ( -2.848 7.135 -2.012) 7.942 14.350 ( -1.864 3.888 -5.641) 7.100 14.615 ( 6.183 1.385 -3.789) 7.383 14.672 ( 3.704 -7.354 -7.868) 11.389 15.311 ( -4.570 3.015 0.865) 5.543 15.385 ( -4.198 -3.866 5.797) 8.135 15.827 ( -13.055 1.368 5.162) 14.105 16.458 ( -11.653 -2.317 -20.404) 23.611 16.652 ( 15.334 1.532 20.526) 25.667 17.272 ( 16.297 -3.664 -10.672) 19.822 18.036 ( -6.991 -0.504 3.069) 7.652 18.212 ( -3.793 -2.002 0.599) 4.330 18.502 ( 7.870 0.955 -3.514) 8.671 18.559 ( 7.358 -4.113 -4.853) 9.727 19.128 ( -3.278 0.755 -5.763) 6.673 19.153 ( -2.739 -0.327 -6.817) 7.354 19.559 ( -1.844 4.668 7.366) 8.913 19.602 ( -0.794 2.203 6.386) 6.802 19.833 ( -1.250 2.300 7.013) 7.485 19.954 ( -0.134 -5.517 1.309) 5.671 20.391 ( -13.056 0.270 18.834) 22.918 20.768 ( 6.746 5.952 -3.587) 9.685 20.936 ( 0.433 -1.225 -4.421) 4.608 21.157 ( 4.091 2.834 -8.748) 10.065 22.427 ( 0.839 -0.548 2.845) 3.017 22.443 ( 1.223 -0.717 1.695) 2.210 22.596 ( -0.569 0.797 -1.448) 1.748 22.646 ( 1.470 0.127 -2.875) 3.231 24.511 ( -9.351 -1.930 2.246) 9.809 24.951 ( 7.838 -6.756 -18.979) 21.616 26.170 ( 0.662 4.339 13.362) 14.065 26.347 ( 8.119 -3.145 21.291) 23.003 26.908 ( -10.576 2.666 -16.097) 19.444 27.374 ( 10.014 -3.316 -20.012) 22.622 28.189 ( -7.842 2.107 11.079) 13.736 28.371 ( 0.079 -1.349 -1.453) 1.984 28.711 ( 0.837 8.119 5.325) 9.745 28.898 ( -0.739 0.975 -3.364) 3.579 28.976 ( 0.056 -3.702 3.869) 5.355 29.095 ( 1.905 -0.267 0.346) 1.955 29.966 ( -1.019 1.959 -5.069) 5.529 30.225 ( 6.829 -10.915 -17.253) 21.528 31.434 ( -11.653 1.536 7.467) 13.925 31.726 ( -1.320 -0.358 -5.762) 5.923 32.531 ( 4.423 0.625 2.867) 5.308 32.559 ( 4.000 -0.030 0.521) 4.034 32.901 ( -2.041 2.708 -2.585) 4.264 32.951 ( -1.457 -1.867 -5.466) 5.957 37.978 ( -1.595 -1.675 4.492) 5.052 37.996 ( -0.542 -1.200 4.422) 4.614 38.400 ( -7.689 -0.482 5.789) 9.637 38.570 ( -2.501 -3.995 -2.005) 5.122 39.929 ( 5.036 0.427 0.523) 5.081 39.976 ( 6.042 -0.143 -1.387) 6.200 40.359 ( -2.015 3.204 3.652) 5.260 40.418 ( -1.870 -0.139 0.600) 1.969 41.135 ( 1.679 -0.843 3.130) 3.650 41.193 ( 2.596 -4.771 0.186) 5.435 41.795 ( -7.125 1.197 2.598) 7.677 41.877 ( -5.886 1.532 -0.671) 6.119 43.056 ( -2.439 -0.910 9.293) 9.651 43.526 ( 16.693 -1.933 -10.118) 19.615 44.598 ( -5.356 4.146 -7.978) 10.466 44.707 ( 0.956 3.699 -11.213) 11.846 ======================= Grid point 219 (79/96) ======================= q-point: ( 0.33 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 212 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.307 ( 6.256 -1.821 14.673) 16.054 2.966 ( 14.457 -0.686 -7.236) 16.181 3.206 ( 8.779 -0.360 8.102) 11.952 3.585 ( -12.095 1.798 11.864) 17.038 3.754 ( 9.118 -4.636 -11.931) 15.715 4.169 ( -1.965 -5.140 -14.341) 15.361 4.395 ( -0.629 1.341 6.940) 7.096 4.516 ( 5.883 -4.659 1.311) 7.618 4.650 ( 12.004 2.004 -8.216) 14.684 4.890 ( 0.027 3.637 -5.210) 6.354 5.050 ( -6.112 -6.066 2.307) 8.915 5.276 ( -6.043 -1.420 -3.134) 6.954 5.531 ( -18.737 -1.138 -6.909) 20.003 5.847 ( -5.794 -1.952 -3.800) 7.199 5.874 ( -2.050 -0.127 2.915) 3.566 6.075 ( -7.013 5.811 -16.890) 19.190 7.039 ( 7.158 2.167 13.909) 15.792 7.252 ( -5.300 -6.449 9.110) 12.356 7.448 ( -4.177 -1.808 5.724) 7.313 7.644 ( 15.074 -0.711 -5.686) 16.127 7.853 ( -3.471 -5.078 -2.635) 6.691 8.168 ( -0.009 9.213 0.948) 9.262 8.281 ( 1.032 -1.581 -6.694) 6.955 8.379 ( -3.549 -3.800 -4.175) 6.669 9.297 ( -1.460 1.743 1.280) 2.609 9.443 ( 5.360 2.633 -1.859) 6.255 9.552 ( -1.115 10.451 17.710) 20.594 10.001 ( 1.543 4.950 -3.113) 6.048 10.279 ( 0.807 -1.032 5.083) 5.249 10.358 ( 2.039 -2.634 7.365) 8.083 10.517 ( -1.303 -0.607 -2.601) 2.971 10.865 ( 3.557 2.190 -10.609) 11.402 11.461 ( -0.421 -5.467 12.513) 13.662 11.627 ( 1.614 6.959 7.903) 10.653 11.752 ( 0.339 -2.187 0.187) 2.221 11.928 ( 4.077 -4.512 -6.218) 8.698 12.075 ( 6.214 -3.680 4.058) 8.284 12.325 ( 6.129 -0.723 0.746) 6.217 12.522 ( -7.012 -0.679 2.567) 7.498 12.670 ( -3.280 -5.507 -6.167) 8.895 13.338 ( -4.495 1.198 2.115) 5.110 13.410 ( -1.654 -0.381 -5.337) 5.601 13.985 ( 0.030 4.064 3.580) 5.417 14.146 ( 1.853 7.397 2.700) 8.090 14.220 ( -3.347 3.505 2.238) 5.338 14.293 ( -3.206 1.632 -3.632) 5.112 14.680 ( 0.736 2.801 3.917) 4.872 14.814 ( 8.593 -3.936 -1.236) 9.532 15.223 ( -4.403 1.986 -0.657) 4.874 15.329 ( 0.882 -3.830 -10.034) 10.776 15.619 ( -8.296 0.132 -3.209) 8.897 16.124 ( -15.145 -0.781 -23.113) 27.644 17.090 ( 21.916 2.739 25.214) 33.520 17.540 ( 9.066 1.735 -0.709) 9.258 17.886 ( -6.979 -7.629 0.707) 10.364 18.107 ( -6.387 -2.239 -1.220) 6.877 18.677 ( 9.081 2.263 -1.089) 9.422 18.727 ( 8.531 -2.556 -4.045) 9.782 19.043 ( -5.212 0.788 -3.558) 6.360 19.071 ( -4.943 -0.762 -5.557) 7.476 19.519 ( -3.407 4.676 15.256) 16.316 19.583 ( -0.277 0.207 11.912) 11.917 19.818 ( 0.250 2.895 3.614) 4.637 19.921 ( -2.909 -4.879 1.147) 5.796 20.156 ( -8.529 -1.419 15.499) 17.748 20.896 ( 5.670 7.780 -5.048) 10.870 21.000 ( 4.531 -2.464 -8.438) 9.890 21.175 ( -2.004 3.817 -17.569) 18.090 22.448 ( 1.137 -1.025 4.559) 4.809 22.471 ( 1.315 -0.146 1.514) 2.010 22.585 ( -0.519 0.289 -2.194) 2.273 22.672 ( 0.926 0.528 -3.967) 4.108 24.348 ( -6.263 -4.445 8.289) 11.300 25.088 ( 5.384 -5.179 -26.845) 27.865 26.192 ( 1.161 5.284 10.043) 11.407 26.522 ( 7.795 -3.591 15.877) 18.048 26.722 ( -6.977 1.577 -4.680) 8.548 27.561 ( 8.044 -3.505 -19.924) 21.770 28.023 ( -7.843 4.775 15.800) 18.275 28.328 ( -3.467 -2.459 -3.745) 5.665 28.747 ( 2.439 4.064 4.813) 6.755 28.900 ( 0.927 1.025 -0.560) 1.491 28.971 ( -0.872 0.552 1.790) 2.066 29.120 ( 0.618 -0.379 1.352) 1.534 29.954 ( -0.156 0.899 -1.929) 2.134 30.378 ( 7.249 -10.702 -21.599) 25.171 31.226 ( -8.179 1.953 8.346) 11.848 31.641 ( -5.474 0.196 -11.285) 12.544 32.632 ( 4.438 1.403 2.014) 5.071 32.657 ( 5.740 -0.838 1.329) 5.951 32.843 ( -3.532 2.122 0.805) 4.199 32.912 ( -2.351 -1.269 -3.467) 4.377 37.946 ( -1.355 -2.323 3.943) 4.773 37.992 ( 0.409 -1.902 2.760) 3.377 38.246 ( -6.843 -0.689 6.743) 9.632 38.499 ( -3.646 -2.336 -5.498) 6.998 40.059 ( 7.101 0.676 1.771) 7.350 40.112 ( 7.033 0.382 -0.347) 7.052 40.301 ( -3.743 1.396 3.255) 5.153 40.355 ( -4.337 0.385 0.134) 4.356 41.190 ( 3.409 1.074 3.544) 5.034 41.261 ( 4.084 -5.420 0.114) 6.787 41.654 ( -6.364 1.456 1.815) 6.776 41.720 ( -8.258 1.078 -0.643) 8.353 43.061 ( 1.628 -1.853 16.201) 16.388 43.857 ( 15.692 -0.463 -16.681) 22.907 44.454 ( -8.903 3.645 -3.589) 10.268 44.717 ( 0.223 3.153 -12.558) 12.950 ======================= Grid point 220 (80/96) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 0.000 -2.100 31.757) 31.827 3.135 ( 0.000 -4.357 -4.390) 6.185 3.250 ( 0.000 2.441 21.152) 21.292 3.482 ( 0.000 -2.186 1.586) 2.700 3.906 ( -0.000 3.085 -5.614) 6.405 4.113 ( 0.000 -12.122 -24.174) 27.043 4.279 ( 0.000 0.704 27.978) 27.987 4.701 ( 0.000 -0.528 4.078) 4.112 4.749 ( 0.000 1.851 -10.100) 10.269 4.856 ( 0.000 -4.875 -4.876) 6.895 5.089 ( 0.000 1.571 -2.468) 2.926 5.194 ( -0.000 1.306 -11.757) 11.830 5.289 ( 0.000 -2.448 -13.313) 13.537 5.696 ( -0.000 -1.677 -17.294) 17.375 5.864 ( 0.000 0.435 3.961) 3.985 6.043 ( 0.000 7.206 -17.686) 19.097 7.112 ( 0.000 3.277 12.501) 12.924 7.236 ( -0.000 -4.252 12.432) 13.139 7.350 ( 0.000 -10.234 15.140) 18.275 7.774 ( 0.000 -1.013 -7.304) 7.374 7.987 ( 0.000 -4.233 -5.950) 7.302 8.021 ( -0.000 4.090 -13.768) 14.363 8.245 ( 0.000 1.370 2.843) 3.156 8.407 ( 0.000 0.520 -4.821) 4.849 9.274 ( 0.000 0.428 4.989) 5.007 9.512 ( 0.000 0.818 -4.232) 4.310 9.537 ( 0.000 12.821 21.370) 24.920 10.010 ( 0.000 5.326 -3.255) 6.242 10.294 ( 0.000 -2.547 4.732) 5.374 10.372 ( 0.000 -0.214 9.073) 9.076 10.509 ( 0.000 -1.242 -6.088) 6.213 10.899 ( 0.000 3.191 -14.543) 14.890 11.458 ( 0.000 -5.754 13.404) 14.587 11.642 ( 0.000 8.079 6.771) 10.541 11.760 ( 0.000 -3.014 0.536) 3.061 11.970 ( 0.000 -2.954 -10.269) 10.685 12.187 ( 0.000 -7.093 11.554) 13.558 12.381 ( 0.000 0.992 6.268) 6.345 12.424 ( 0.000 -1.439 4.209) 4.448 12.632 ( 0.000 -4.305 -8.016) 9.099 13.283 ( 0.000 0.679 0.774) 1.029 13.391 ( 0.000 -1.274 -8.303) 8.400 13.993 ( 0.000 4.662 3.909) 6.084 14.169 ( 0.000 8.551 -0.248) 8.554 14.174 ( -0.000 0.532 3.806) 3.843 14.254 ( -0.000 0.985 -0.614) 1.161 14.682 ( 0.000 5.131 8.590) 10.006 14.922 ( -0.000 -4.652 8.665) 9.835 15.166 ( 0.000 1.020 -9.491) 9.546 15.377 ( 0.000 -4.806 -23.425) 23.913 15.516 ( -0.000 1.392 -2.521) 2.879 15.950 ( 0.000 0.269 -19.425) 19.427 17.414 ( 0.000 0.334 28.261) 28.263 17.537 ( 0.000 12.922 5.981) 14.239 17.848 ( -0.000 -17.497 -8.153) 19.303 18.007 ( 0.000 -1.435 -0.772) 1.630 18.814 ( 0.000 2.346 -3.712) 4.391 18.839 ( 0.000 0.253 0.623) 0.672 18.955 ( 0.000 -0.338 -1.971) 2.000 18.994 ( 0.000 -1.596 -4.631) 4.898 19.459 ( 0.000 2.625 24.182) 24.324 19.589 ( 0.000 2.186 12.615) 12.803 19.847 ( -0.000 -2.222 1.595) 2.735 19.864 ( 0.000 0.637 -1.165) 1.328 20.074 ( 0.000 -2.702 11.283) 11.602 20.961 ( 0.000 5.882 -1.575) 6.089 21.080 ( 0.000 -1.141 -7.264) 7.353 21.114 ( -0.000 4.857 -28.050) 28.468 22.462 ( 0.000 -1.176 5.667) 5.788 22.486 ( 0.000 0.140 1.370) 1.377 22.579 ( 0.000 -0.050 -2.923) 2.924 22.681 ( 0.000 0.746 -4.364) 4.427 24.283 ( 0.000 -5.153 10.466) 11.665 25.146 ( 0.000 -5.033 -30.579) 30.990 26.205 ( 0.000 5.878 8.972) 10.726 26.592 ( -0.000 -0.018 -11.345) 11.345 26.667 ( 0.000 -2.822 25.255) 25.413 27.654 ( 0.000 -4.745 -20.826) 21.360 27.930 ( 0.000 7.176 18.424) 19.772 28.282 ( 0.000 -3.005 -3.887) 4.913 28.780 ( -0.000 1.130 4.206) 4.355 28.915 ( 0.000 4.390 7.230) 8.459 28.954 ( 0.000 0.656 -5.240) 5.281 29.124 ( 0.000 -0.803 1.390) 1.605 29.954 ( 0.000 0.673 -0.227) 0.711 30.461 ( 0.000 -11.093 -23.602) 26.079 31.139 ( 0.000 2.234 8.158) 8.458 31.574 ( 0.000 0.666 -12.625) 12.643 32.690 ( 0.000 1.952 0.533) 2.023 32.733 ( 0.000 -1.533 -0.557) 1.631 32.789 ( 0.000 1.525 3.987) 4.269 32.878 ( 0.000 -0.550 -1.361) 1.468 37.932 ( 0.000 -2.595 3.703) 4.522 38.004 ( 0.000 -2.688 0.709) 2.780 38.166 ( 0.000 -0.184 8.180) 8.182 38.458 ( 0.000 -1.782 -6.779) 7.009 40.169 ( 0.000 1.883 2.400) 3.051 40.226 ( 0.000 -0.120 2.623) 2.626 40.231 ( 0.000 -0.347 1.987) 2.017 40.265 ( 0.000 1.335 -1.731) 2.186 41.235 ( 0.000 1.959 3.805) 4.280 41.320 ( 0.000 -6.253 -0.226) 6.257 41.577 ( 0.000 2.675 1.532) 3.082 41.620 ( 0.000 0.137 0.063) 0.150 43.082 ( 0.000 -2.056 18.370) 18.484 44.075 ( 0.000 -0.231 -30.798) 30.799 44.305 ( 0.000 3.666 10.118) 10.762 44.719 ( 0.000 2.916 -13.187) 13.505 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 0.000 -1.892) 1.892 1.985 ( 0.000 0.000 1.892) 1.892 2.993 ( 0.000 0.000 -13.206) 13.206 2.993 ( 0.000 0.000 13.206) 13.206 4.134 ( 0.000 0.000 -1.751) 1.751 4.134 ( 0.000 0.000 1.751) 1.751 4.965 ( 0.000 0.000 -13.296) 13.296 4.965 ( 0.000 0.000 13.296) 13.296 5.116 ( 0.000 0.000 -4.981) 4.981 5.116 ( 0.000 0.000 4.981) 4.981 5.585 ( 0.000 0.000 -5.412) 5.412 5.585 ( 0.000 0.000 5.412) 5.412 5.658 ( 0.000 0.000 -1.834) 1.834 5.658 ( 0.000 0.000 1.834) 1.834 6.177 ( 0.000 0.000 -10.977) 10.977 6.177 ( 0.000 0.000 10.977) 10.977 7.308 ( 0.000 0.000 -1.824) 1.824 7.308 ( 0.000 0.000 1.824) 1.824 7.376 ( 0.000 0.000 -12.526) 12.526 7.376 ( 0.000 0.000 12.526) 12.526 7.950 ( 0.000 0.000 -11.768) 11.768 7.950 ( 0.000 0.000 11.768) 11.768 8.464 ( 0.000 0.000 -14.852) 14.852 8.464 ( 0.000 0.000 14.852) 14.852 9.260 ( 0.000 0.000 -14.187) 14.187 9.260 ( 0.000 0.000 14.187) 14.187 9.341 ( 0.000 0.000 -14.119) 14.119 9.341 ( 0.000 0.000 14.119) 14.119 10.441 ( 0.000 0.000 -1.782) 1.782 10.441 ( 0.000 0.000 1.782) 1.782 10.483 ( 0.000 0.000 -2.669) 2.669 10.483 ( 0.000 0.000 2.669) 2.669 11.327 ( 0.000 0.000 -0.200) 0.200 11.327 ( 0.000 0.000 0.200) 0.200 11.866 ( 0.000 0.000 -2.469) 2.469 11.866 ( 0.000 0.000 2.469) 2.469 12.760 ( 0.000 0.000 -3.276) 3.276 12.760 ( 0.000 0.000 3.276) 3.276 12.812 ( 0.000 0.000 -1.352) 1.352 12.812 ( 0.000 0.000 1.352) 1.352 13.359 ( 0.000 0.000 -3.430) 3.430 13.359 ( 0.000 0.000 3.430) 3.430 13.382 ( 0.000 0.000 -4.506) 4.506 13.382 ( 0.000 0.000 4.506) 4.506 14.265 ( 0.000 0.000 -7.442) 7.442 14.265 ( 0.000 0.000 7.442) 7.442 14.382 ( 0.000 0.000 -15.382) 15.382 14.382 ( 0.000 0.000 15.382) 15.382 15.351 ( 0.000 0.000 -10.969) 10.969 15.351 ( 0.000 0.000 10.969) 10.969 16.601 ( 0.000 0.000 -11.245) 11.245 16.601 ( 0.000 0.000 11.245) 11.245 16.922 ( 0.000 0.000 -35.551) 35.551 16.922 ( 0.000 0.000 35.551) 35.551 17.959 ( 0.000 0.000 -15.994) 15.994 17.959 ( 0.000 0.000 15.994) 15.994 18.943 ( 0.000 0.000 -15.186) 15.186 18.943 ( 0.000 0.000 15.186) 15.186 19.056 ( 0.000 0.000 -4.650) 4.650 19.056 ( 0.000 0.000 4.650) 4.650 19.200 ( 0.000 0.000 -2.551) 2.551 19.200 ( 0.000 0.000 2.551) 2.551 19.919 ( 0.000 0.000 -5.937) 5.937 19.919 ( 0.000 0.000 5.937) 5.937 20.666 ( 0.000 0.000 -2.220) 2.220 20.666 ( 0.000 0.000 2.220) 2.220 20.715 ( 0.000 0.000 -3.276) 3.276 20.715 ( 0.000 0.000 3.276) 3.276 22.512 ( 0.000 0.000 -0.294) 0.294 22.512 ( 0.000 0.000 0.294) 0.294 22.535 ( 0.000 0.000 -3.661) 3.661 22.535 ( 0.000 0.000 3.661) 3.661 25.225 ( 0.000 0.000 -12.872) 12.872 25.225 ( 0.000 0.000 12.872) 12.872 26.291 ( 0.000 0.000 -18.438) 18.438 26.291 ( 0.000 0.000 18.438) 18.438 26.962 ( 0.000 0.000 -31.813) 31.813 26.962 ( 0.000 0.000 31.813) 31.813 28.092 ( 0.000 0.000 -0.129) 0.129 28.092 ( 0.000 0.000 0.129) 0.129 28.820 ( 0.000 0.000 -0.983) 0.983 28.820 ( 0.000 0.000 0.983) 0.983 28.941 ( 0.000 0.000 -8.309) 8.309 28.941 ( 0.000 0.000 8.309) 8.309 30.467 ( 0.000 0.000 -14.369) 14.369 30.467 ( 0.000 0.000 14.369) 14.369 31.679 ( 0.000 0.000 -8.772) 8.772 31.679 ( 0.000 0.000 8.772) 8.772 32.493 ( 0.000 0.000 -6.370) 6.370 32.493 ( 0.000 0.000 6.370) 6.370 32.787 ( 0.000 0.000 -10.104) 10.104 32.787 ( 0.000 0.000 10.104) 10.104 38.152 ( 0.000 0.000 -0.011) 0.011 38.152 ( 0.000 0.000 0.011) 0.011 38.811 ( 0.000 0.000 -12.887) 12.887 38.811 ( 0.000 0.000 12.887) 12.887 39.976 ( 0.000 0.000 -3.491) 3.491 39.976 ( 0.000 0.000 3.491) 3.491 40.206 ( 0.000 0.000 -4.821) 4.821 40.206 ( 0.000 0.000 4.821) 4.821 41.575 ( 0.000 0.000 -3.041) 3.041 41.575 ( 0.000 0.000 3.041) 3.041 41.606 ( 0.000 0.000 -8.804) 8.804 41.606 ( 0.000 0.000 8.804) 8.804 43.563 ( 0.000 0.000 -15.828) 15.828 43.563 ( 0.000 0.000 15.828) 15.828 43.991 ( 0.000 0.000 -1.340) 1.340 43.991 ( 0.000 0.000 1.340) 1.340 ======================= Grid point 247 (82/96) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 26.867 0.000 -30.110) 40.354 2.278 ( 26.867 0.000 30.110) 40.354 3.111 ( 11.004 0.000 -12.496) 16.650 3.111 ( 11.004 0.000 12.496) 16.650 4.156 ( 2.186 0.000 -6.288) 6.658 4.156 ( 2.186 0.000 6.288) 6.658 4.981 ( 0.426 0.000 -15.337) 15.343 4.981 ( 0.426 0.000 15.337) 15.343 4.994 ( -12.046 0.000 -12.625) 17.450 4.994 ( -12.046 0.000 12.625) 17.450 5.569 ( -8.795 0.000 -5.629) 10.442 5.569 ( -8.795 0.000 5.629) 10.442 5.570 ( 0.030 0.000 -2.803) 2.803 5.570 ( 0.030 0.000 2.803) 2.803 6.130 ( -4.628 0.000 -13.458) 14.231 6.130 ( -4.628 0.000 13.458) 14.231 7.293 ( -1.549 0.000 -6.332) 6.518 7.293 ( -1.549 0.000 6.332) 6.518 7.322 ( -4.541 0.000 -13.139) 13.901 7.322 ( -4.541 0.000 13.139) 13.901 8.014 ( 6.072 0.000 -10.336) 11.987 8.014 ( 6.072 0.000 10.336) 11.987 8.477 ( 0.847 0.000 -16.949) 16.970 8.477 ( 0.847 0.000 16.949) 16.970 9.223 ( -3.001 0.000 -13.149) 13.487 9.223 ( -3.001 0.000 13.149) 13.487 9.339 ( -0.469 0.000 -13.589) 13.597 9.339 ( -0.469 0.000 13.589) 13.597 10.452 ( 0.825 0.000 -6.425) 6.478 10.452 ( 0.825 0.000 6.425) 6.478 10.469 ( -1.112 0.000 -6.093) 6.194 10.469 ( -1.112 0.000 6.093) 6.194 11.414 ( 7.876 0.000 -6.085) 9.952 11.414 ( 7.876 0.000 6.085) 9.952 11.866 ( -0.237 0.000 -3.290) 3.299 11.866 ( -0.237 0.000 3.290) 3.299 12.775 ( 1.398 0.000 -3.910) 4.153 12.775 ( 1.398 0.000 3.910) 4.153 12.817 ( 0.490 0.000 -2.545) 2.591 12.817 ( 0.490 0.000 2.545) 2.591 13.350 ( -0.840 0.000 -4.119) 4.204 13.350 ( -0.840 0.000 4.119) 4.204 13.366 ( -1.389 0.000 -4.551) 4.759 13.366 ( -1.389 0.000 4.551) 4.759 14.299 ( 3.090 0.000 -8.180) 8.744 14.299 ( 3.090 0.000 8.180) 8.744 14.389 ( 0.598 0.000 -15.560) 15.572 14.389 ( 0.598 0.000 15.560) 15.572 15.343 ( -0.452 0.000 -11.146) 11.155 15.343 ( -0.452 0.000 11.146) 11.155 16.210 ( -24.301 0.000 -29.266) 38.040 16.210 ( -24.301 0.000 29.266) 38.040 17.295 ( 22.419 0.000 -37.161) 43.400 17.295 ( 22.419 0.000 37.161) 43.400 17.964 ( 0.350 0.000 -17.012) 17.015 17.964 ( 0.350 0.000 17.012) 17.015 18.946 ( 0.234 0.000 -13.357) 13.360 18.946 ( 0.234 0.000 13.357) 13.360 19.028 ( -2.321 0.000 -7.669) 8.013 19.028 ( -2.321 0.000 7.669) 8.013 19.246 ( 4.457 0.000 -3.118) 5.439 19.246 ( 4.457 0.000 3.118) 5.439 19.892 ( -3.033 0.000 -4.867) 5.735 19.892 ( -3.033 0.000 4.867) 5.735 20.657 ( -0.893 0.000 -4.858) 4.940 20.657 ( -0.893 0.000 4.858) 4.940 20.682 ( -2.889 0.000 -8.543) 9.019 20.682 ( -2.889 0.000 8.543) 9.019 22.523 ( 1.021 0.000 -0.765) 1.276 22.523 ( 1.021 0.000 0.765) 1.276 22.547 ( 0.986 0.000 -3.620) 3.752 22.547 ( 0.986 0.000 3.620) 3.752 25.265 ( 4.007 0.000 -14.501) 15.044 25.265 ( 4.007 0.000 14.501) 15.044 26.115 ( -13.803 0.000 -26.906) 30.240 26.115 ( -13.803 0.000 26.906) 30.240 27.169 ( 16.846 0.000 -36.802) 40.474 27.169 ( 16.846 0.000 36.802) 40.474 28.089 ( -0.598 0.000 -8.374) 8.395 28.089 ( -0.598 0.000 8.374) 8.395 28.796 ( -2.233 0.000 -1.262) 2.565 28.796 ( -2.233 0.000 1.262) 2.565 28.891 ( -4.770 0.000 -7.982) 9.298 28.891 ( -4.770 0.000 7.982) 9.298 30.530 ( 6.194 0.000 -15.362) 16.563 30.530 ( 6.194 0.000 15.362) 16.563 31.547 ( -11.819 0.000 -14.837) 18.970 31.547 ( -11.819 0.000 14.837) 18.970 32.560 ( 5.486 0.000 -5.056) 7.461 32.560 ( 5.486 0.000 5.056) 7.461 32.785 ( -0.278 0.000 -9.593) 9.597 32.785 ( -0.278 0.000 9.593) 9.597 38.169 ( 1.729 0.000 -1.805) 2.500 38.169 ( 1.729 0.000 1.805) 2.500 38.718 ( -8.477 0.000 -12.165) 14.827 38.718 ( -8.477 0.000 12.165) 14.827 40.004 ( 2.715 0.000 -3.369) 4.327 40.004 ( 2.715 0.000 3.369) 4.327 40.236 ( 2.158 0.000 -5.097) 5.535 40.236 ( 2.158 0.000 5.097) 5.535 41.514 ( -4.850 0.000 -3.914) 6.232 41.514 ( -4.850 0.000 3.914) 6.232 41.587 ( -1.879 0.000 -9.033) 9.226 41.587 ( -1.879 0.000 9.033) 9.226 43.644 ( 7.098 0.000 -17.735) 19.103 43.644 ( 7.098 0.000 17.735) 19.103 43.985 ( -0.594 0.000 -6.471) 6.498 43.985 ( -0.594 0.000 6.471) 6.498 ======================= Grid point 249 (83/96) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.924 ( 34.190 0.000 -39.529) 52.264 2.924 ( 34.190 0.000 39.529) 52.264 3.373 ( 12.875 0.000 -10.242) 16.452 3.373 ( 12.875 0.000 10.242) 16.452 4.204 ( 1.910 0.000 -9.369) 9.561 4.204 ( 1.910 0.000 9.369) 9.561 4.652 ( -21.102 0.000 -23.344) 31.468 4.652 ( -21.102 0.000 23.344) 31.468 4.964 ( -0.488 0.000 -12.585) 12.595 4.964 ( -0.488 0.000 12.585) 12.595 5.324 ( -14.672 0.000 -7.710) 16.575 5.324 ( -14.672 0.000 7.711) 16.575 5.644 ( 7.421 0.000 -9.244) 11.854 5.644 ( 7.421 0.000 9.244) 11.854 6.003 ( -7.858 0.000 -17.159) 18.873 6.003 ( -7.858 0.000 17.159) 18.873 7.237 ( -3.105 0.000 -11.401) 11.816 7.237 ( -3.105 0.000 11.401) 11.816 7.250 ( -2.436 0.000 -9.714) 10.015 7.250 ( -2.436 0.000 9.714) 10.015 8.171 ( 9.082 0.000 -8.360) 12.344 8.171 ( 9.082 0.000 8.360) 12.344 8.465 ( -2.994 0.000 -16.971) 17.233 8.465 ( -2.994 0.000 16.971) 17.233 9.186 ( 0.297 0.000 -8.748) 8.753 9.186 ( 0.297 0.000 8.748) 8.753 9.309 ( -2.725 0.000 -11.145) 11.473 9.309 ( -2.725 0.000 11.145) 11.473 10.452 ( -0.304 0.000 -9.525) 9.530 10.452 ( -0.304 0.000 9.525) 9.530 10.463 ( 0.119 0.000 -9.769) 9.770 10.463 ( 0.119 0.000 9.769) 9.770 11.597 ( 9.403 0.000 -7.414) 11.974 11.597 ( 9.403 0.000 7.414) 11.974 11.843 ( -2.424 0.000 -4.391) 5.016 11.843 ( -2.424 0.000 4.391) 5.016 12.809 ( 1.715 0.000 -4.862) 5.156 12.809 ( 1.715 0.000 4.862) 5.156 12.830 ( 0.614 0.000 -4.393) 4.436 12.830 ( 0.614 0.000 4.393) 4.436 13.331 ( -0.923 0.000 -4.974) 5.059 13.331 ( -0.923 0.000 4.974) 5.059 13.336 ( -1.362 0.000 -5.099) 5.278 13.336 ( -1.362 0.000 5.099) 5.278 14.367 ( 3.122 0.000 -9.877) 10.358 14.367 ( 3.122 0.000 9.877) 10.358 14.404 ( 0.764 0.000 -15.014) 15.034 14.404 ( 0.764 0.000 15.014) 15.034 15.355 ( 2.390 0.000 -11.918) 12.155 15.355 ( 2.390 0.000 11.918) 12.155 15.766 ( -19.160 0.000 -24.209) 30.874 15.766 ( -19.160 0.000 24.210) 30.874 17.682 ( 15.437 0.000 -32.428) 35.915 17.682 ( 15.437 0.000 32.428) 35.915 17.962 ( -1.015 0.000 -20.235) 20.260 17.962 ( -1.015 0.000 20.235) 20.260 18.950 ( 0.173 0.000 -8.496) 8.498 18.950 ( 0.173 0.000 8.496) 8.498 18.982 ( -1.972 0.000 -6.848) 7.126 18.982 ( -1.972 0.000 6.848) 7.126 19.377 ( 8.689 0.000 -6.691) 10.967 19.377 ( 8.689 0.000 6.691) 10.967 19.782 ( -8.125 0.000 -7.030) 10.744 19.782 ( -8.125 0.000 7.030) 10.744 20.626 ( -2.008 0.000 -12.066) 12.232 20.626 ( -2.008 0.000 12.066) 12.232 20.633 ( -1.341 0.000 -8.186) 8.295 20.633 ( -1.341 0.000 8.186) 8.295 22.548 ( 1.279 0.000 -1.509) 1.978 22.548 ( 1.279 0.000 1.509) 1.978 22.566 ( 0.654 0.000 -3.278) 3.342 22.566 ( 0.654 0.000 3.278) 3.342 25.384 ( 7.871 0.000 -18.212) 19.840 25.384 ( 7.871 0.000 18.212) 19.840 25.830 ( -13.923 0.000 -26.284) 29.744 25.830 ( -13.923 0.000 26.284) 29.744 27.534 ( 18.431 0.000 -36.381) 40.783 27.534 ( 18.431 0.000 36.381) 40.783 28.044 ( -4.896 0.000 -19.485) 20.091 28.044 ( -4.896 0.000 19.485) 20.091 28.743 ( -2.617 0.000 -2.120) 3.368 28.743 ( -2.617 0.000 2.120) 3.368 28.778 ( -5.407 0.000 -5.425) 7.660 28.778 ( -5.407 0.000 5.425) 7.660 30.706 ( 11.168 0.000 -17.604) 20.847 30.706 ( 11.168 0.000 17.604) 20.847 31.265 ( -15.322 0.000 -19.062) 24.456 31.265 ( -15.322 0.000 19.062) 24.456 32.667 ( 4.722 0.000 -1.848) 5.071 32.667 ( 4.722 0.000 1.848) 5.071 32.773 ( -0.989 0.000 -7.910) 7.972 32.773 ( -0.989 0.000 7.910) 7.972 38.226 ( 4.172 0.000 -4.214) 5.930 38.226 ( 4.172 0.000 4.214) 5.930 38.521 ( -10.156 0.000 -10.170) 14.373 38.521 ( -10.156 0.000 10.170) 14.373 40.080 ( 4.754 0.000 -3.192) 5.727 40.080 ( 4.754 0.000 3.192) 5.727 40.250 ( -1.459 0.000 -4.641) 4.865 40.250 ( -1.459 0.000 4.641) 4.865 41.443 ( -1.315 0.000 -6.131) 6.270 41.443 ( -1.315 0.000 6.131) 6.270 41.533 ( -3.393 0.000 -9.156) 9.764 41.533 ( -3.393 0.000 9.156) 9.764 43.796 ( 7.102 0.000 -19.055) 20.336 43.796 ( 7.102 0.000 19.055) 20.336 43.963 ( -1.718 0.000 -12.344) 12.463 43.963 ( -1.718 0.000 12.344) 12.463 ======================= Grid point 251 (84/96) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.448 ( -8.933 0.000 -21.923) 23.673 3.448 ( 8.933 0.000 -21.923) 23.673 3.448 ( -8.933 0.000 21.923) 23.673 3.448 ( 8.933 0.000 21.923) 23.673 4.281 ( -7.548 0.000 -15.634) 17.361 4.281 ( 7.548 0.000 -15.634) 17.361 4.281 ( -7.548 0.000 15.634) 17.361 4.281 ( 7.548 0.000 15.634) 17.361 5.055 ( -6.396 0.000 -9.359) 11.335 5.055 ( 6.396 0.000 -9.359) 11.335 5.055 ( -6.396 0.000 9.359) 11.336 5.055 ( 6.396 0.000 9.359) 11.336 5.825 ( -2.863 0.000 -16.684) 16.928 5.825 ( 2.863 0.000 -16.684) 16.928 5.825 ( -2.863 0.000 16.684) 16.928 5.825 ( 2.863 0.000 16.684) 16.928 7.214 ( -0.026 0.000 -10.488) 10.488 7.214 ( 0.026 0.000 -10.488) 10.488 7.214 ( -0.026 0.000 10.488) 10.488 7.214 ( 0.026 0.000 10.488) 10.488 8.349 ( -4.866 0.000 -11.671) 12.645 8.349 ( 4.866 0.000 -11.671) 12.645 8.349 ( -4.866 0.000 11.671) 12.645 8.349 ( 4.866 0.000 11.671) 12.645 9.237 ( -3.260 0.000 -6.964) 7.689 9.237 ( 3.260 0.000 -6.964) 7.689 9.237 ( -3.260 0.000 6.964) 7.689 9.237 ( 3.260 0.000 6.964) 7.689 10.457 ( -0.104 0.000 -10.706) 10.706 10.457 ( 0.104 0.000 -10.706) 10.706 10.457 ( -0.104 0.000 10.706) 10.706 10.457 ( 0.104 0.000 10.706) 10.706 11.758 ( -3.067 0.000 -5.878) 6.630 11.758 ( 3.067 0.000 -5.878) 6.630 11.758 ( -3.067 0.000 5.878) 6.630 11.758 ( 3.067 0.000 5.878) 6.630 12.833 ( -0.016 0.000 -5.328) 5.328 12.833 ( -0.016 0.000 5.328) 5.328 12.833 ( 0.016 0.000 -5.328) 5.328 12.833 ( 0.016 0.000 5.328) 5.328 13.321 ( -0.000 0.000 -5.522) 5.522 13.321 ( -0.000 0.000 5.522) 5.522 13.321 ( 0.000 0.000 -5.522) 5.522 13.321 ( 0.000 0.000 5.522) 5.522 14.407 ( -0.039 0.000 -12.496) 12.496 14.407 ( 0.039 0.000 -12.496) 12.496 14.407 ( -0.039 0.000 12.496) 12.496 14.407 ( 0.039 0.000 12.496) 12.496 15.472 ( -5.308 0.000 -16.438) 17.273 15.472 ( 5.308 0.000 -16.438) 17.273 15.472 ( -5.308 0.000 16.438) 17.273 15.472 ( 5.308 0.000 16.438) 17.273 17.897 ( -6.287 0.000 -25.837) 26.591 17.897 ( 6.287 0.000 -25.837) 26.591 17.897 ( -6.287 0.000 25.837) 26.591 17.897 ( 6.287 0.000 25.837) 26.591 18.956 ( -0.048 0.000 -3.947) 3.947 18.956 ( 0.048 0.000 -3.947) 3.947 18.956 ( -0.048 0.000 3.947) 3.947 18.956 ( 0.048 0.000 3.947) 3.947 19.582 ( -10.460 0.000 -9.893) 14.398 19.582 ( 10.460 0.000 -9.893) 14.398 19.582 ( -10.460 0.000 9.893) 14.398 19.582 ( 10.460 0.000 9.893) 14.398 20.612 ( -0.017 0.000 -11.008) 11.008 20.612 ( 0.017 0.000 -11.008) 11.008 20.612 ( -0.017 0.000 11.008) 11.008 20.612 ( 0.017 0.000 11.008) 11.008 22.567 ( -0.107 0.000 -2.465) 2.468 22.567 ( 0.107 0.000 -2.465) 2.468 22.567 ( -0.107 0.000 2.465) 2.468 22.567 ( 0.107 0.000 2.465) 2.468 25.576 ( -2.865 0.000 -22.462) 22.644 25.576 ( 2.865 0.000 -22.462) 22.644 25.576 ( -2.865 0.000 22.462) 22.644 25.576 ( 2.865 0.000 22.462) 22.644 27.862 ( -6.371 0.000 -30.847) 31.498 27.862 ( 6.371 0.000 -30.847) 31.498 27.862 ( -6.371 0.000 30.847) 31.498 27.862 ( 6.371 0.000 30.847) 31.498 28.715 ( -0.236 0.000 -2.826) 2.836 28.715 ( 0.236 0.000 -2.826) 2.836 28.715 ( -0.236 0.000 2.826) 2.836 28.715 ( 0.236 0.000 2.826) 2.836 30.964 ( -7.151 0.000 -19.435) 20.709 30.964 ( 7.151 0.000 -19.435) 20.709 30.964 ( -7.151 0.000 19.435) 20.709 30.964 ( 7.151 0.000 19.435) 20.709 32.739 ( -1.370 0.000 -4.795) 4.987 32.739 ( 1.370 0.000 -4.795) 4.987 32.739 ( -1.370 0.000 4.795) 4.987 32.739 ( 1.370 0.000 4.795) 4.987 38.341 ( -5.338 0.000 -7.242) 8.997 38.341 ( 5.338 0.000 -7.242) 8.997 38.341 ( -5.338 0.000 7.242) 8.997 38.341 ( 5.338 0.000 7.242) 8.997 40.181 ( -3.053 0.000 -3.585) 4.709 40.181 ( 3.053 0.000 -3.585) 4.709 40.181 ( -3.053 0.000 3.585) 4.709 40.181 ( 3.053 0.000 3.585) 4.709 41.465 ( -2.357 0.000 -8.268) 8.598 41.465 ( 2.357 0.000 -8.268) 8.598 41.465 ( -2.357 0.000 8.268) 8.598 41.465 ( 2.357 0.000 8.268) 8.598 43.908 ( -0.658 0.000 -16.994) 17.006 43.908 ( 0.658 0.000 -16.994) 17.006 43.908 ( -0.658 0.000 16.994) 17.006 43.908 ( 0.658 0.000 16.994) 17.006 ======================= Grid point 259 (85/96) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 0.000 7.041 -4.839) 8.544 2.065 ( 0.000 7.041 4.839) 8.544 3.078 ( 0.000 8.271 -9.563) 12.644 3.078 ( 0.000 8.271 9.563) 12.644 4.047 ( 0.000 -10.755 -11.473) 15.726 4.047 ( 0.000 -10.755 11.473) 15.726 4.519 ( 0.000 -23.964 -11.035) 26.383 4.519 ( 0.000 -23.964 11.035) 26.383 5.241 ( 0.000 -2.590 -2.193) 3.394 5.241 ( 0.000 -2.590 2.193) 3.394 5.583 ( 0.000 0.479 -2.319) 2.368 5.583 ( 0.000 0.479 2.319) 2.368 5.870 ( 0.000 17.185 -7.765) 18.858 5.870 ( 0.000 17.185 7.766) 18.858 6.121 ( 0.000 -5.462 -6.667) 8.619 6.121 ( 0.000 -5.462 6.667) 8.619 7.089 ( 0.000 -11.381 -4.525) 12.248 7.089 ( 0.000 -11.381 4.525) 12.248 7.602 ( 0.000 12.444 -3.872) 13.032 7.602 ( 0.000 12.444 3.872) 13.032 7.808 ( 0.000 -8.148 -8.016) 11.430 7.808 ( 0.000 -8.148 8.016) 11.430 8.666 ( 0.000 9.297 -19.667) 21.754 8.666 ( 0.000 9.297 19.667) 21.754 9.101 ( 0.000 -5.468 -7.836) 9.555 9.101 ( 0.000 -5.468 7.836) 9.555 9.402 ( 0.000 2.333 -6.491) 6.898 9.402 ( 0.000 2.333 6.491) 6.898 10.429 ( 0.000 -1.373 -1.297) 1.889 10.429 ( 0.000 -1.373 1.297) 1.889 10.554 ( 0.000 5.921 -1.489) 6.105 10.554 ( 0.000 5.921 1.489) 6.105 11.431 ( 0.000 9.302 -1.259) 9.387 11.431 ( 0.000 9.302 1.259) 9.387 11.858 ( 0.000 -0.623 -2.587) 2.661 11.858 ( 0.000 -0.623 2.587) 2.661 12.404 ( 0.000 -21.123 -3.668) 21.439 12.404 ( 0.000 -21.123 3.668) 21.439 12.960 ( 0.000 0.152 -2.452) 2.456 12.960 ( 0.000 0.152 2.452) 2.456 13.315 ( 0.000 1.518 -3.305) 3.637 13.315 ( 0.000 1.518 3.305) 3.637 13.580 ( 0.000 14.200 -0.135) 14.200 13.580 ( 0.000 14.200 0.135) 14.200 14.194 ( 0.000 -3.375 -1.534) 3.707 14.194 ( 0.000 -3.375 1.534) 3.707 14.473 ( 0.000 5.462 -9.344) 10.823 14.473 ( 0.000 5.462 9.344) 10.823 15.379 ( 0.000 2.616 -9.886) 10.226 15.379 ( 0.000 2.616 9.886) 10.226 16.584 ( 0.000 -2.331 -16.917) 17.077 16.584 ( 0.000 -2.331 16.917) 17.077 16.839 ( 0.000 -6.934 -34.206) 34.902 16.839 ( 0.000 -6.934 34.206) 34.902 18.017 ( 0.000 5.176 -12.607) 13.628 18.017 ( 0.000 5.176 12.607) 13.628 18.767 ( 0.000 -11.775 -5.587) 13.033 18.767 ( 0.000 -11.775 5.587) 13.033 19.102 ( 0.000 0.449 -1.769) 1.825 19.102 ( 0.000 0.449 1.769) 1.825 19.308 ( 0.000 9.335 -2.065) 9.560 19.308 ( 0.000 9.335 2.065) 9.560 19.963 ( 0.000 3.636 -5.993) 7.010 19.963 ( 0.000 3.636 5.993) 7.010 20.586 ( 0.000 -3.271 -4.902) 5.893 20.586 ( 0.000 -3.271 4.902) 5.893 20.824 ( 0.000 6.589 -0.294) 6.595 20.824 ( 0.000 6.589 0.294) 6.595 22.493 ( 0.000 -1.258 -1.523) 1.975 22.493 ( 0.000 -1.258 1.523) 1.975 22.557 ( 0.000 1.377 -2.211) 2.604 22.557 ( 0.000 1.377 2.211) 2.604 25.092 ( 0.000 -11.831 -12.939) 17.533 25.092 ( 0.000 -11.831 12.939) 17.533 26.378 ( 0.000 6.931 -22.240) 23.296 26.378 ( 0.000 6.931 22.240) 23.296 26.904 ( 0.000 -4.648 -33.268) 33.591 26.904 ( 0.000 -4.648 33.268) 33.591 28.179 ( 0.000 7.821 -0.071) 7.821 28.179 ( 0.000 7.821 0.071) 7.821 28.727 ( 0.000 -5.698 -4.257) 7.112 28.727 ( 0.000 -5.698 4.257) 7.112 29.026 ( 0.000 5.184 -4.973) 7.184 29.026 ( 0.000 5.184 4.973) 7.184 30.367 ( 0.000 -9.551 -14.148) 17.070 30.367 ( 0.000 -9.551 14.148) 17.070 31.678 ( 0.000 -0.060 -7.392) 7.392 31.678 ( 0.000 -0.060 7.392) 7.392 32.494 ( 0.000 0.274 -4.394) 4.403 32.494 ( 0.000 0.274 4.394) 4.403 32.812 ( 0.000 2.243 -7.874) 8.187 32.812 ( 0.000 2.243 7.874) 8.187 38.130 ( 0.000 -2.035 -0.051) 2.035 38.130 ( 0.000 -2.035 0.051) 2.035 38.765 ( 0.000 -4.545 -11.285) 12.166 38.765 ( 0.000 -4.545 11.285) 12.166 39.928 ( 0.000 -3.163 -2.499) 4.031 39.928 ( 0.000 -3.163 2.499) 4.031 40.269 ( 0.000 4.898 -4.806) 6.862 40.269 ( 0.000 4.898 4.806) 6.862 41.426 ( 0.000 -8.372 -2.279) 8.677 41.426 ( 0.000 -8.372 2.279) 8.677 41.744 ( 0.000 7.146 -3.010) 7.754 41.744 ( 0.000 7.146 3.010) 7.754 43.422 ( 0.000 -9.765 -12.780) 16.084 43.422 ( 0.000 -9.765 12.780) 16.084 44.176 ( 0.000 14.020 -2.030) 14.167 44.176 ( 0.000 14.020 2.030) 14.167 ======================= Grid point 261 (86/96) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.318 ( 23.443 3.390 -24.819) 34.308 2.318 ( 23.443 3.390 24.819) 34.308 3.202 ( 11.525 8.663 -7.929) 16.454 3.202 ( 11.525 8.663 7.929) 16.454 4.080 ( 3.049 -9.030 -12.177) 15.464 4.080 ( 3.049 -9.030 12.178) 15.464 4.551 ( 2.563 -22.665 -13.592) 26.552 4.551 ( 2.563 -22.665 13.592) 26.552 5.137 ( -9.702 -2.577 -11.088) 14.957 5.137 ( -9.702 -2.577 11.088) 14.957 5.478 ( -9.906 -0.509 -4.692) 10.973 5.478 ( -9.906 -0.509 4.692) 10.973 5.793 ( -7.528 12.555 -5.816) 15.752 5.793 ( -7.528 12.555 5.816) 15.752 6.076 ( -4.074 -5.223 -9.709) 11.754 6.076 ( -4.074 -5.223 9.709) 11.754 7.110 ( 1.797 -7.066 -2.846) 7.826 7.110 ( 1.797 -7.066 2.846) 7.826 7.576 ( -1.861 12.663 -6.070) 14.166 7.576 ( -1.861 12.663 6.070) 14.166 7.871 ( 5.776 -7.877 -7.880) 12.550 7.871 ( 5.776 -7.877 7.880) 12.550 8.619 ( -4.797 4.325 -18.844) 19.920 8.619 ( -4.797 4.325 18.844) 19.920 9.115 ( 1.906 -1.838 -6.756) 7.256 9.115 ( 1.906 -1.838 6.756) 7.256 9.408 ( 0.174 3.950 -9.242) 10.052 9.408 ( 0.174 3.950 9.242) 10.052 10.433 ( 0.363 -1.087 -3.399) 3.588 10.433 ( 0.363 -1.087 3.399) 3.588 10.545 ( -0.905 5.597 -4.684) 7.354 10.545 ( -0.905 5.597 4.684) 7.354 11.487 ( 5.213 6.617 -5.590) 10.110 11.487 ( 5.213 6.617 5.590) 10.110 11.865 ( 0.490 -0.110 -2.750) 2.796 11.865 ( 0.490 -0.110 2.750) 2.796 12.448 ( 4.147 -19.134 -3.965) 19.976 12.448 ( 4.147 -19.134 3.965) 19.976 12.932 ( -2.653 -1.870 -3.913) 5.084 12.932 ( -2.653 -1.870 3.913) 5.084 13.295 ( -1.714 2.210 -3.110) 4.183 13.295 ( -1.714 2.210 3.110) 4.183 13.589 ( 0.688 14.525 -2.396) 14.738 13.589 ( 0.688 14.525 2.396) 14.738 14.218 ( 2.152 -3.721 -1.858) 4.683 14.218 ( 2.152 -3.721 1.858) 4.683 14.491 ( 1.674 5.951 -8.207) 10.275 14.491 ( 1.674 5.951 8.207) 10.275 15.359 ( -1.793 1.411 -10.353) 10.602 15.359 ( -1.793 1.411 10.353) 10.602 16.187 ( -23.291 -2.321 -27.625) 36.208 16.187 ( -23.291 -2.321 27.625) 36.208 17.229 ( 22.666 -5.816 -32.944) 40.409 17.229 ( 22.666 -5.816 32.944) 40.409 18.015 ( -0.423 4.363 -12.948) 13.670 18.015 ( -0.423 4.363 12.948) 13.670 18.784 ( 1.589 -10.553 -5.402) 11.961 18.784 ( 1.589 -10.553 5.402) 11.961 19.078 ( -2.286 0.700 -2.828) 3.703 19.078 ( -2.286 0.700 2.828) 3.703 19.342 ( 3.493 8.351 -3.267) 9.623 19.342 ( 3.493 8.351 3.267) 9.623 19.933 ( -3.115 3.453 -5.485) 7.191 19.933 ( -3.115 3.453 5.485) 7.191 20.581 ( -0.877 -2.579 -3.877) 4.738 20.581 ( -0.877 -2.579 3.877) 4.738 20.791 ( -2.648 6.253 -3.404) 7.596 20.791 ( -2.648 6.253 3.404) 7.596 22.505 ( 1.139 -1.166 -1.655) 2.323 22.505 ( 1.139 -1.166 1.655) 2.323 22.566 ( 0.768 1.177 -2.465) 2.837 22.566 ( 0.768 1.177 2.465) 2.837 25.107 ( 1.444 -13.452 -15.254) 20.389 25.107 ( 1.444 -13.452 15.254) 20.389 26.233 ( -10.587 9.346 -24.940) 28.661 26.233 ( -10.587 9.346 24.940) 28.661 27.095 ( 15.179 -6.190 -34.867) 38.528 27.095 ( 15.179 -6.190 34.867) 38.528 28.173 ( -0.983 7.198 -8.222) 10.971 28.173 ( -0.983 7.198 8.222) 10.971 28.708 ( -1.449 -4.635 -3.906) 6.232 28.708 ( -1.449 -4.635 3.906) 6.232 28.986 ( -3.954 5.747 -5.026) 8.598 28.986 ( -3.954 5.747 5.026) 8.598 30.424 ( 5.452 -10.157 -15.484) 19.304 30.424 ( 5.452 -10.157 15.484) 19.304 31.557 ( -10.762 0.904 -13.091) 16.971 31.557 ( -10.762 0.904 13.091) 16.971 32.558 ( 5.252 -0.017 -3.457) 6.287 32.558 ( 5.252 -0.017 3.457) 6.287 32.810 ( -0.296 2.206 -7.495) 7.818 32.810 ( -0.296 2.206 7.495) 7.818 38.141 ( 1.118 -2.646 -1.258) 3.136 38.141 ( 1.118 -2.646 1.258) 3.136 38.675 ( -8.112 -4.144 -10.778) 14.112 38.675 ( -8.112 -4.144 10.778) 14.112 39.971 ( 3.887 -2.134 -2.516) 5.098 39.971 ( 3.887 -2.134 2.516) 5.098 40.285 ( 0.992 3.797 -4.494) 5.966 40.285 ( 0.992 3.797 4.494) 5.966 41.408 ( -1.419 -6.833 -2.572) 7.438 41.408 ( -1.419 -6.833 2.572) 7.438 41.687 ( -4.958 6.000 -3.887) 8.700 41.687 ( -4.958 6.000 3.887) 8.700 43.499 ( 6.681 -9.604 -15.394) 19.335 43.499 ( 6.681 -9.604 15.394) 19.335 44.174 ( -0.299 13.741 -5.423) 14.776 44.174 ( -0.299 13.741 5.423) 14.776 ======================= Grid point 263 (87/96) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.891 ( 30.707 -2.872 -30.947) 43.691 2.891 ( 30.707 -2.872 30.947) 43.691 3.464 ( 11.669 7.696 -7.000) 15.633 3.464 ( 11.669 7.696 7.000) 15.633 4.142 ( 2.610 -6.113 -14.415) 15.874 4.142 ( 2.610 -6.113 14.415) 15.874 4.578 ( -2.390 -10.746 -14.178) 17.950 4.578 ( -2.390 -10.746 14.178) 17.950 4.901 ( -10.672 -3.738 -16.503) 20.005 4.901 ( -10.672 -3.738 16.503) 20.005 5.264 ( -9.519 -4.363 -9.382) 14.060 5.264 ( -9.519 -4.363 9.383) 14.060 5.583 ( -11.629 -2.042 -3.035) 12.191 5.583 ( -11.629 -2.042 3.035) 12.191 5.994 ( -3.455 -2.368 -9.119) 10.035 5.994 ( -3.455 -2.368 9.119) 10.035 7.147 ( 1.692 0.096 -2.758) 3.237 7.147 ( 1.692 0.096 2.758) 3.237 7.544 ( -1.211 16.582 -11.474) 20.201 7.544 ( -1.211 16.582 11.474) 20.201 8.023 ( 9.065 -9.863 -7.038) 15.133 8.023 ( 9.065 -9.863 7.038) 15.133 8.478 ( -8.870 -3.697 -14.482) 17.381 8.478 ( -8.870 -3.697 14.482) 17.381 9.190 ( 5.466 4.237 -4.946) 8.503 9.190 ( 5.466 4.237 4.946) 8.503 9.390 ( -2.396 6.227 -9.883) 11.924 9.390 ( -2.396 6.227 9.883) 11.924 10.441 ( 0.404 -0.398 -7.013) 7.036 10.441 ( 0.404 -0.398 7.013) 7.036 10.521 ( -1.294 4.215 -9.140) 10.148 10.521 ( -1.294 4.215 9.140) 10.148 11.608 ( 5.846 1.300 -7.846) 9.871 11.608 ( 5.846 1.300 7.846) 9.871 11.869 ( -0.238 1.754 -1.990) 2.663 11.869 ( -0.238 1.754 1.990) 2.663 12.552 ( 5.638 -14.503 -4.376) 16.164 12.552 ( 5.638 -14.503 4.376) 16.164 12.864 ( -3.730 -6.314 -6.313) 9.676 12.864 ( -3.730 -6.314 6.313) 9.676 13.259 ( -1.554 2.991 -3.870) 5.132 13.259 ( -1.554 2.991 3.870) 5.132 13.599 ( 0.283 15.129 -3.181) 15.463 13.599 ( 0.283 15.129 3.181) 15.463 14.264 ( 2.054 -4.343 -4.806) 6.795 14.264 ( 2.054 -4.343 4.806) 6.795 14.534 ( 2.351 7.390 -9.430) 12.209 14.534 ( 2.351 7.390 9.430) 12.209 15.324 ( -1.281 -2.789 -11.708) 12.103 15.324 ( -1.281 -2.789 11.708) 12.103 15.782 ( -16.000 1.117 -21.337) 26.693 15.782 ( -16.000 1.117 21.337) 26.693 17.626 ( 16.486 -4.914 -27.144) 32.136 17.626 ( 16.486 -4.914 27.144) 32.136 17.986 ( -2.941 1.687 -14.929) 15.309 17.986 ( -2.941 1.687 14.929) 15.309 18.828 ( 2.609 -7.108 -4.180) 8.649 18.828 ( 2.609 -7.108 4.180) 8.649 19.022 ( -2.998 0.102 -3.699) 4.763 19.022 ( -2.998 0.102 3.699) 4.763 19.453 ( 7.692 6.729 -6.765) 12.256 19.453 ( 7.692 6.729 6.765) 12.256 19.830 ( -7.380 4.069 -6.836) 10.851 19.830 ( -7.380 4.069 6.836) 10.851 20.539 ( -2.830 -2.987 -10.689) 11.453 20.539 ( -2.830 -2.987 10.689) 11.454 20.754 ( -0.771 6.586 -6.914) 9.580 20.754 ( -0.771 6.586 6.914) 9.580 22.531 ( 1.218 -1.023 -2.091) 2.627 22.531 ( 1.218 -1.023 2.091) 2.627 22.581 ( 0.610 0.810 -2.745) 2.926 22.581 ( 0.610 0.810 2.745) 2.926 25.142 ( 1.678 -17.590 -20.413) 26.999 25.142 ( 1.678 -17.590 20.413) 26.999 26.045 ( -7.230 14.809 -21.764) 27.299 26.045 ( -7.230 14.809 21.764) 27.299 27.410 ( 14.727 -10.155 -32.984) 37.523 27.410 ( 14.727 -10.155 32.984) 37.523 28.120 ( -4.471 5.464 -18.401) 19.709 28.120 ( -4.471 5.464 18.401) 19.709 28.697 ( 1.094 -0.362 -3.783) 3.955 28.697 ( 1.094 -0.362 3.783) 3.955 28.880 ( -6.149 6.322 -4.753) 10.018 28.880 ( -6.149 6.322 4.753) 10.018 30.568 ( 8.141 -12.602 -18.701) 23.975 30.568 ( 8.141 -12.602 18.701) 23.975 31.313 ( -12.107 3.784 -16.486) 20.801 31.313 ( -12.107 3.784 16.486) 20.801 32.661 ( 4.447 -0.333 -1.857) 4.830 32.661 ( 4.447 -0.333 1.857) 4.830 32.799 ( -0.843 2.153 -6.232) 6.647 32.799 ( -0.843 2.153 6.232) 6.647 38.180 ( 2.872 -4.378 -2.829) 5.951 38.180 ( 2.872 -4.378 2.829) 5.951 38.491 ( -9.100 -2.843 -9.515) 13.470 38.491 ( -9.100 -2.843 9.515) 13.470 40.066 ( 5.256 -0.583 -2.585) 5.886 40.066 ( 5.256 -0.583 2.585) 5.886 40.280 ( -1.870 2.227 -3.447) 4.509 40.280 ( -1.870 2.227 3.447) 4.509 41.398 ( 1.034 -3.583 -4.965) 6.210 41.398 ( 1.034 -3.583 4.965) 6.210 41.578 ( -5.493 3.418 -5.568) 8.536 41.578 ( -5.493 3.418 5.568) 8.536 43.636 ( 5.837 -9.123 -19.091) 21.949 43.636 ( 5.837 -9.123 19.091) 21.949 44.164 ( -0.565 13.018 -10.533) 16.755 44.164 ( -0.565 13.018 10.533) 16.755 ======================= Grid point 265 (88/96) ======================= q-point: (-0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 0.000 -7.737 -19.434) 20.918 3.326 ( 0.000 -7.737 19.434) 20.918 3.533 ( 0.000 4.105 -21.401) 21.791 3.533 ( -0.000 4.105 21.401) 21.791 4.208 ( -0.000 -4.333 -21.677) 22.106 4.208 ( 0.000 -4.333 21.677) 22.106 4.429 ( 0.000 9.341 -17.267) 19.632 4.429 ( -0.000 9.341 17.267) 19.632 4.851 ( 0.000 -14.450 -14.821) 20.699 4.851 ( 0.000 -14.450 14.821) 20.699 5.141 ( 0.000 2.977 -11.967) 12.332 5.141 ( -0.000 2.977 11.967) 12.332 5.448 ( -0.000 -17.904 -13.395) 22.360 5.448 ( 0.000 -17.904 13.395) 22.360 5.956 ( 0.000 -0.326 -6.724) 6.731 5.956 ( 0.000 -0.326 6.724) 6.731 7.167 ( 0.000 2.547 -2.710) 3.719 7.167 ( 0.000 2.547 2.710) 3.719 7.531 ( 0.000 19.561 -14.463) 24.328 7.531 ( 0.000 19.561 14.463) 24.328 8.171 ( 0.000 -11.366 -10.823) 15.695 8.171 ( 0.000 -11.366 10.823) 15.695 8.331 ( 0.000 -6.414 -12.521) 14.068 8.331 ( -0.000 -6.414 12.521) 14.068 9.304 ( 0.000 4.121 -4.060) 5.785 9.304 ( -0.000 4.121 4.060) 5.785 9.311 ( -0.000 9.506 -11.502) 14.922 9.311 ( 0.000 9.506 11.502) 14.922 10.446 ( 0.000 -0.123 -9.028) 9.029 10.446 ( 0.000 -0.123 9.028) 9.029 10.506 ( 0.000 3.308 -11.308) 11.782 10.506 ( 0.000 3.308 11.308) 11.782 11.676 ( 0.000 -2.274 -9.053) 9.334 11.676 ( 0.000 -2.274 9.053) 9.334 11.862 ( 0.000 3.971 -2.300) 4.588 11.862 ( 0.000 3.971 2.300) 4.588 12.625 ( 0.000 -10.835 -4.977) 11.924 12.625 ( 0.000 -10.835 4.977) 11.924 12.813 ( 0.000 -9.737 -8.398) 12.858 12.813 ( 0.000 -9.737 8.398) 12.858 13.242 ( 0.000 3.080 -4.751) 5.662 13.242 ( 0.000 3.080 4.751) 5.662 13.601 ( 0.000 15.430 -3.514) 15.825 13.601 ( 0.000 15.430 3.514) 15.825 14.286 ( 0.000 -4.774 -7.649) 9.016 14.286 ( 0.000 -4.774 7.649) 9.016 14.563 ( 0.000 8.607 -14.054) 16.480 14.563 ( 0.000 8.607 14.054) 16.480 15.314 ( 0.000 -7.754 -14.257) 16.229 15.314 ( 0.000 -7.754 14.257) 16.229 15.608 ( 0.000 5.340 -15.274) 16.181 15.608 ( -0.000 5.340 15.274) 16.181 17.875 ( 0.000 -3.074 -28.779) 28.942 17.875 ( -0.000 -3.074 28.779) 28.942 17.877 ( -0.000 -1.222 -21.262) 21.297 17.877 ( 0.000 -1.222 21.262) 21.297 18.864 ( 0.000 -4.304 -4.614) 6.310 18.864 ( 0.000 -4.304 4.614) 6.310 18.982 ( 0.000 -1.186 -5.943) 6.060 18.982 ( 0.000 -1.186 5.943) 6.060 19.612 ( -0.000 4.516 -8.848) 9.934 19.612 ( 0.000 4.516 8.848) 9.934 19.673 ( 0.000 6.312 -13.674) 15.060 19.673 ( -0.000 6.312 13.674) 15.060 20.505 ( 0.000 -4.077 -13.619) 14.216 20.505 ( 0.000 -4.077 13.619) 14.216 20.749 ( 0.000 7.234 -9.588) 12.011 20.749 ( 0.000 7.234 9.588) 12.011 22.545 ( 0.000 -0.983 -2.581) 2.762 22.545 ( 0.000 -0.983 2.581) 2.762 22.587 ( 0.000 0.658 -2.809) 2.885 22.587 ( 0.000 0.658 2.809) 2.885 25.161 ( 0.000 -20.317 -23.476) 31.046 25.161 ( 0.000 -20.317 23.476) 31.046 25.970 ( 0.000 18.050 -19.595) 26.642 25.970 ( 0.000 18.050 19.595) 26.642 27.590 ( 0.000 -14.442 -30.845) 34.059 27.590 ( 0.000 -14.442 30.845) 34.059 28.046 ( 0.000 6.317 -25.518) 26.288 28.046 ( 0.000 6.317 25.518) 26.288 28.760 ( 0.000 3.302 -3.777) 5.017 28.760 ( -0.000 3.302 3.777) 5.017 28.764 ( -0.000 5.800 -5.902) 8.275 28.764 ( 0.000 5.800 5.902) 8.275 30.677 ( 0.000 -16.598 -21.437) 27.111 30.677 ( 0.000 -16.598 21.437) 27.111 31.162 ( -0.000 7.932 -16.163) 18.004 31.162 ( 0.000 7.932 16.163) 18.005 32.713 ( 0.000 -0.708 -4.189) 4.249 32.713 ( 0.000 -0.708 4.189) 4.249 32.784 ( 0.000 2.409 -4.628) 5.217 32.784 ( 0.000 2.409 4.628) 5.217 38.231 ( -0.000 -7.208 -4.069) 8.277 38.231 ( 0.000 -7.208 4.069) 8.277 38.372 ( 0.000 -0.236 -9.018) 9.021 38.372 ( -0.000 -0.236 9.018) 9.021 40.144 ( 0.000 -0.323 -3.298) 3.314 40.144 ( 0.000 -0.323 3.298) 3.314 40.236 ( 0.000 2.066 -2.461) 3.213 40.236 ( -0.000 2.066 2.461) 3.213 41.435 ( -0.000 -2.402 -8.171) 8.517 41.435 ( 0.000 -2.402 8.171) 8.517 41.497 ( 0.000 2.457 -6.078) 6.555 41.497 ( 0.000 2.457 6.078) 6.555 43.699 ( 0.000 -8.795 -21.102) 22.861 43.699 ( 0.000 -8.795 21.102) 22.861 44.157 ( 0.000 12.578 -13.547) 18.486 44.157 ( 0.000 12.578 13.547) 18.486 ======================= Grid point 273 (89/96) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( 0.000 2.360 -7.692) 8.046 2.180 ( 0.000 2.360 7.692) 8.046 3.251 ( 0.000 5.009 -2.007) 5.396 3.251 ( 0.000 5.009 2.007) 5.396 3.738 ( 0.000 -11.335 -23.341) 25.948 3.738 ( 0.000 -11.335 23.341) 25.948 4.255 ( 0.000 -5.466 -5.183) 7.532 4.255 ( 0.000 -5.466 5.183) 7.532 5.070 ( 0.000 -12.958 -6.349) 14.430 5.070 ( 0.000 -12.958 6.349) 14.430 5.555 ( 0.000 -4.578 -4.040) 6.106 5.555 ( 0.000 -4.578 4.040) 6.106 5.951 ( 0.000 -6.209 -6.533) 9.013 5.951 ( 0.000 -6.209 6.533) 9.013 6.231 ( 0.000 13.900 -0.165) 13.901 6.231 ( 0.000 13.900 0.165) 13.901 6.948 ( 0.000 -1.778 -3.095) 3.570 6.948 ( 0.000 -1.778 3.095) 3.570 7.656 ( 0.000 -3.569 -1.381) 3.827 7.656 ( 0.000 -3.569 1.381) 3.827 7.850 ( 0.000 6.835 -9.485) 11.691 7.850 ( 0.000 6.835 9.485) 11.691 8.571 ( 0.000 -10.878 -8.896) 14.052 8.571 ( 0.000 -10.878 8.896) 14.052 9.217 ( 0.000 8.012 -6.568) 10.360 9.217 ( 0.000 8.012 6.568) 10.360 9.504 ( 0.000 10.950 -15.263) 18.784 9.504 ( 0.000 10.950 15.263) 18.784 10.390 ( 0.000 -2.617 -1.856) 3.208 10.390 ( 0.000 -2.617 1.856) 3.208 10.653 ( 0.000 3.339 -1.009) 3.488 10.653 ( 0.000 3.339 1.009) 3.488 11.620 ( 0.000 8.784 -2.399) 9.106 11.620 ( 0.000 8.784 2.399) 9.106 11.840 ( 0.000 -2.321 -3.799) 4.452 11.840 ( 0.000 -2.321 3.799) 4.452 12.022 ( 0.000 -15.880 -2.543) 16.082 12.022 ( 0.000 -15.880 2.543) 16.082 12.854 ( 0.000 -8.324 -3.802) 9.152 12.854 ( 0.000 -8.324 3.802) 9.152 13.402 ( 0.000 5.746 -4.120) 7.070 13.402 ( 0.000 5.746 4.120) 7.070 13.873 ( 0.000 14.844 -1.350) 14.905 13.873 ( 0.000 14.844 1.350) 14.905 14.182 ( 0.000 2.062 -0.441) 2.109 14.182 ( 0.000 2.062 0.441) 2.109 14.542 ( 0.000 1.092 -6.417) 6.509 14.542 ( 0.000 1.092 6.417) 6.509 15.434 ( 0.000 2.574 -7.310) 7.750 15.434 ( 0.000 2.574 7.310) 7.750 16.479 ( 0.000 -8.233 -20.214) 21.826 16.479 ( 0.000 -8.233 20.214) 21.826 16.735 ( 0.000 -2.626 -25.887) 26.019 16.735 ( 0.000 -2.626 25.887) 26.019 18.127 ( 0.000 5.438 -8.643) 10.212 18.127 ( 0.000 5.438 8.643) 10.212 18.545 ( 0.000 -10.453 -0.124) 10.454 18.545 ( 0.000 -10.453 0.124) 10.454 19.098 ( 0.000 -0.417 -1.529) 1.585 19.098 ( 0.000 -0.417 1.529) 1.585 19.494 ( 0.000 9.119 -0.307) 9.124 19.494 ( 0.000 9.119 0.307) 9.124 20.003 ( 0.000 -0.694 -4.711) 4.762 20.003 ( 0.000 -0.694 4.711) 4.762 20.589 ( 0.000 3.826 -6.304) 7.374 20.589 ( 0.000 3.826 6.304) 7.374 20.938 ( 0.000 4.722 -3.445) 5.845 20.938 ( 0.000 4.722 3.445) 5.845 22.469 ( 0.000 -1.201 -1.433) 1.870 22.469 ( 0.000 -1.201 1.433) 1.870 22.580 ( 0.000 0.962 -1.397) 1.696 22.580 ( 0.000 0.962 1.397) 1.696 24.841 ( 0.000 -12.320 -11.296) 16.715 24.841 ( 0.000 -12.320 11.296) 16.715 26.476 ( 0.000 1.893 -23.521) 23.597 26.476 ( 0.000 1.893 23.521) 23.597 26.844 ( 0.000 -0.450 -29.784) 29.787 26.844 ( 0.000 -0.450 29.784) 29.787 28.325 ( 0.000 4.901 -0.962) 4.994 28.325 ( 0.000 4.901 0.962) 4.994 28.678 ( 0.000 2.534 -6.862) 7.315 28.678 ( 0.000 2.534 6.862) 7.315 29.092 ( 0.000 0.924 -2.045) 2.244 29.092 ( 0.000 0.924 2.045) 2.244 30.141 ( 0.000 -12.123 -11.724) 16.865 30.141 ( 0.000 -12.123 11.724) 16.865 31.677 ( 0.000 -0.010 -4.475) 4.475 31.677 ( 0.000 -0.010 4.475) 4.475 32.505 ( 0.000 0.734 -1.684) 1.837 32.505 ( 0.000 0.734 1.684) 1.837 32.857 ( 0.000 2.028 -4.236) 4.696 32.857 ( 0.000 2.028 4.236) 4.696 38.084 ( 0.000 -2.398 -0.097) 2.399 38.084 ( 0.000 -2.398 0.097) 2.399 38.656 ( 0.000 -5.852 -7.174) 9.258 38.656 ( 0.000 -5.852 7.174) 9.258 39.888 ( 0.000 -0.929 -1.471) 1.739 39.888 ( 0.000 -0.929 1.471) 1.739 40.362 ( 0.000 4.385 -3.686) 5.728 40.362 ( 0.000 4.385 3.686) 5.728 41.269 ( 0.000 -7.434 -2.198) 7.753 41.269 ( 0.000 -7.434 2.198) 7.753 41.862 ( 0.000 4.750 -1.846) 5.097 41.862 ( 0.000 4.750 1.846) 5.097 43.267 ( 0.000 -5.747 -8.484) 10.247 43.267 ( 0.000 -5.747 8.484) 10.247 44.431 ( 0.000 10.950 -0.773) 10.977 44.431 ( 0.000 10.950 0.773) 10.977 ======================= Grid point 275 (90/96) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.365 ( 17.725 0.035 -16.901) 24.491 2.365 ( 17.725 0.035 16.901) 24.491 3.349 ( 9.173 0.702 -5.371) 10.652 3.349 ( 9.173 0.702 5.371) 10.652 3.837 ( 8.430 -7.049 -20.236) 23.027 3.837 ( 8.430 -7.049 20.236) 23.027 4.275 ( 2.187 -6.335 -4.273) 7.948 4.275 ( 2.187 -6.335 4.273) 7.948 4.974 ( -8.100 -11.609 -9.204) 16.885 4.974 ( -8.100 -11.609 9.204) 16.885 5.471 ( -8.613 -2.155 -4.740) 10.065 5.471 ( -8.613 -2.155 4.740) 10.065 5.926 ( -4.064 -3.752 -7.122) 9.018 5.926 ( -4.064 -3.752 7.122) 9.018 6.046 ( -15.162 7.296 -5.953) 17.848 6.046 ( -15.162 7.296 5.953) 17.848 7.048 ( 8.290 1.115 -7.350) 11.135 7.048 ( 8.290 1.115 7.350) 11.135 7.619 ( -1.608 -5.207 -4.989) 7.389 7.619 ( -1.608 -5.207 4.989) 7.389 7.922 ( 5.068 8.013 -7.300) 11.966 7.922 ( 5.068 8.013 7.300) 11.966 8.498 ( -6.890 -10.534 -11.532) 17.071 8.498 ( -6.890 -10.534 11.532) 17.071 9.226 ( 1.918 6.695 -4.632) 8.364 9.226 ( 1.918 6.695 4.632) 8.364 9.548 ( 3.029 12.317 -15.245) 19.831 9.548 ( 3.029 12.317 15.245) 19.831 10.400 ( 0.928 -2.461 -2.552) 3.665 10.400 ( 0.928 -2.461 2.552) 3.665 10.639 ( -1.501 3.222 -5.531) 6.574 10.639 ( -1.501 3.222 5.531) 6.574 11.625 ( 0.831 6.790 -4.411) 8.139 11.625 ( 0.831 6.790 4.411) 8.139 11.835 ( 0.141 -4.703 -5.727) 7.412 11.835 ( 0.141 -4.703 5.727) 7.412 12.124 ( 8.840 -11.588 -4.917) 15.382 12.124 ( 8.840 -11.588 4.917) 15.382 12.807 ( -4.394 -8.386 -4.794) 10.612 12.807 ( -4.394 -8.386 4.794) 10.612 13.382 ( -1.947 4.947 -2.667) 5.947 13.382 ( -1.947 4.947 2.667) 5.947 13.879 ( 0.470 14.339 -2.830) 14.623 13.879 ( 0.470 14.339 2.830) 14.623 14.200 ( 1.574 1.798 -2.432) 3.409 14.200 ( 1.574 1.798 2.432) 3.409 14.573 ( 3.178 2.196 -5.286) 6.547 14.573 ( 3.178 2.196 5.286) 6.547 15.387 ( -4.532 1.294 -8.592) 9.800 15.387 ( -4.532 1.294 8.592) 9.800 16.120 ( -20.617 -4.439 -23.121) 31.294 16.120 ( -20.617 -4.439 23.121) 31.294 17.112 ( 22.559 -5.252 -25.172) 34.207 17.112 ( 22.559 -5.252 25.172) 34.207 18.097 ( -2.979 3.436 -8.787) 9.894 18.097 ( -2.979 3.436 8.787) 9.894 18.595 ( 4.770 -8.139 -2.989) 9.896 18.595 ( 4.770 -8.139 2.989) 9.896 19.074 ( -2.381 -0.485 -2.066) 3.190 19.074 ( -2.381 -0.485 2.066) 3.190 19.511 ( 2.070 8.279 -2.372) 8.858 19.511 ( 2.070 8.279 2.372) 8.858 19.976 ( -2.672 -0.078 -5.686) 6.283 19.976 ( -2.672 -0.078 5.686) 6.283 20.593 ( -0.593 3.914 -5.094) 6.452 20.593 ( -0.593 3.914 5.094) 6.452 20.900 ( -2.825 4.511 -5.782) 7.859 20.900 ( -2.825 4.511 5.782) 7.859 22.483 ( 1.328 -1.091 -1.467) 2.260 22.483 ( 1.328 -1.091 1.467) 2.260 22.584 ( 0.321 0.686 -2.108) 2.240 22.584 ( 0.321 0.686 2.108) 2.240 24.835 ( -0.599 -12.936 -14.711) 19.599 24.835 ( -0.599 -12.936 14.711) 19.599 26.388 ( -6.124 5.391 -21.361) 22.866 26.388 ( -6.124 5.391 21.361) 22.866 26.987 ( 11.356 -3.946 -30.229) 32.532 26.987 ( 11.356 -3.946 30.229) 32.532 28.296 ( -3.218 3.779 -7.154) 8.707 28.296 ( -3.218 3.779 7.154) 8.707 28.687 ( 1.414 3.561 -6.105) 7.208 28.687 ( 1.414 3.561 6.105) 7.208 29.069 ( -2.390 2.342 -3.385) 4.759 29.069 ( -2.390 2.342 3.385) 4.759 30.183 ( 4.002 -12.994 -13.640) 19.259 30.183 ( 4.002 -12.994 13.640) 19.259 31.576 ( -8.985 0.870 -10.040) 13.501 31.576 ( -8.985 0.870 10.040) 13.501 32.562 ( 4.846 0.443 -1.460) 5.081 32.562 ( 4.846 0.443 1.460) 5.081 32.853 ( -0.407 1.967 -4.143) 4.604 32.853 ( -0.407 1.967 4.143) 4.604 38.080 ( -0.311 -3.208 -0.367) 3.244 38.080 ( -0.311 -3.208 0.367) 3.244 38.578 ( -6.966 -5.112 -7.565) 11.484 38.578 ( -6.966 -5.112 7.565) 11.484 39.947 ( 5.352 -0.276 -1.736) 5.634 39.947 ( 5.352 -0.276 1.736) 5.634 40.357 ( -0.828 3.358 -3.247) 4.744 40.357 ( -0.828 3.358 3.247) 4.744 41.277 ( 0.956 -6.341 -2.859) 7.021 41.277 ( 0.956 -6.341 2.859) 7.021 41.788 ( -6.465 4.220 -2.410) 8.088 41.788 ( -6.465 4.220 2.410) 8.088 43.349 ( 7.223 -5.444 -14.316) 16.934 43.349 ( 7.223 -5.444 14.316) 16.934 44.420 ( -1.080 10.532 -4.088) 11.349 44.420 ( -1.080 10.532 4.088) 11.349 ======================= Grid point 277 (91/96) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.816 ( 24.632 -5.171 -22.066) 33.472 2.816 ( 24.632 -5.171 22.066) 33.472 3.561 ( 9.264 -1.817 -11.468) 14.854 3.561 ( 9.264 -1.817 11.468) 14.854 3.956 ( 1.167 -10.392 -22.672) 24.967 3.956 ( 1.167 -10.392 22.672) 24.967 4.381 ( 9.676 -2.711 -5.633) 11.520 4.381 ( 9.676 -2.711 5.633) 11.520 4.831 ( -5.037 -4.525 -11.556) 13.393 4.831 ( -5.037 -4.525 11.556) 13.393 5.233 ( -12.972 0.676 -8.282) 15.405 5.233 ( -12.972 0.676 8.282) 15.405 5.579 ( -22.908 0.355 -11.643) 25.700 5.579 ( -22.908 0.355 11.643) 25.700 5.931 ( -1.416 -2.783 -2.130) 3.780 5.931 ( -1.416 -2.783 2.130) 3.780 7.198 ( 5.062 4.330 -8.392) 10.715 7.198 ( 5.062 4.330 8.392) 10.715 7.656 ( 6.096 -6.611 -5.291) 10.433 7.656 ( 6.096 -6.611 5.291) 10.433 7.992 ( 0.849 5.719 -8.257) 10.080 7.992 ( 0.849 5.719 8.257) 10.080 8.330 ( -8.470 -7.382 -10.928) 15.673 8.330 ( -8.470 -7.382 10.928) 15.673 9.303 ( 5.026 4.498 -4.727) 8.236 9.303 ( 5.026 4.498 4.727) 8.236 9.583 ( 0.163 14.270 -14.388) 20.265 9.583 ( 0.163 14.270 14.388) 20.265 10.422 ( 1.114 -1.846 -5.284) 5.707 10.422 ( 1.114 -1.846 5.284) 5.707 10.597 ( -2.338 2.991 -10.299) 10.976 10.597 ( -2.338 2.991 10.299) 10.976 11.656 ( 1.876 3.651 -6.727) 7.880 11.656 ( 1.876 3.651 6.727) 7.880 11.847 ( 0.748 -5.291 -8.690) 10.202 11.847 ( 0.748 -5.291 8.690) 10.202 12.327 ( 10.465 -7.428 -5.486) 13.956 12.327 ( 10.465 -7.428 5.486) 13.956 12.696 ( -6.260 -8.648 -6.611) 12.557 12.696 ( -6.260 -8.648 6.611) 12.557 13.332 ( -2.652 2.820 -2.633) 4.682 13.332 ( -2.652 2.820 2.633) 4.682 13.888 ( 0.397 13.793 -3.326) 14.194 13.888 ( 0.397 13.793 3.326) 14.194 14.227 ( 0.767 0.379 -2.861) 2.987 14.227 ( 0.767 0.379 2.862) 2.987 14.664 ( 5.453 5.694 -7.297) 10.743 14.664 ( 5.453 5.694 7.297) 10.743 15.268 ( -6.636 -2.328 -10.321) 12.489 15.268 ( -6.636 -2.328 10.321) 12.489 15.782 ( -12.119 -1.514 -17.178) 21.076 15.782 ( -12.119 -1.514 17.178) 21.077 17.521 ( 17.745 -5.245 -20.405) 27.546 17.521 ( 17.745 -5.245 20.405) 27.546 18.004 ( -6.548 -0.037 -10.253) 12.165 18.004 ( -6.548 -0.037 10.253) 12.165 18.719 ( 6.934 -3.795 -3.663) 8.712 18.719 ( 6.934 -3.795 3.663) 8.712 19.006 ( -4.252 -1.034 -2.900) 5.250 19.006 ( -4.252 -1.034 2.900) 5.250 19.591 ( 6.037 6.522 -5.432) 10.415 19.591 ( 6.037 6.522 5.432) 10.415 19.896 ( -5.547 1.751 -6.602) 8.799 19.896 ( -5.547 1.751 6.602) 8.799 20.532 ( -4.805 2.269 -17.517) 18.305 20.532 ( -4.805 2.269 17.517) 18.305 20.873 ( 0.294 5.350 -4.717) 7.138 20.873 ( 0.294 5.350 4.717) 7.138 22.513 ( 1.458 -0.771 -1.915) 2.527 22.513 ( 1.458 -0.771 1.915) 2.527 22.589 ( 0.114 0.037 -3.394) 3.396 22.589 ( 0.114 0.037 3.394) 3.396 24.821 ( -0.687 -14.164 -20.698) 25.090 24.821 ( -0.687 -14.164 20.698) 25.090 26.288 ( -3.488 9.267 -16.792) 19.494 26.288 ( -3.488 9.267 16.792) 19.494 27.218 ( 10.361 -8.430 -29.331) 32.229 27.218 ( 10.361 -8.430 29.331) 32.229 28.200 ( -5.582 2.596 -13.254) 14.614 28.200 ( -5.582 2.596 13.254) 14.614 28.747 ( 4.409 4.765 -5.191) 8.313 28.747 ( 4.409 4.765 5.191) 8.313 28.997 ( -4.685 5.383 -5.707) 9.138 28.997 ( -4.685 5.383 5.707) 9.138 30.283 ( 5.141 -15.085 -17.706) 23.822 30.283 ( 5.141 -15.085 17.706) 23.822 31.381 ( -8.952 2.843 -13.148) 16.158 31.381 ( -8.952 2.843 13.148) 16.158 32.660 ( 4.269 0.186 -1.693) 4.596 32.660 ( 4.269 0.186 1.693) 4.596 32.840 ( -0.943 1.802 -3.817) 4.325 32.840 ( -0.943 1.802 3.817) 4.325 38.079 ( 0.365 -5.248 -1.200) 5.396 38.079 ( 0.365 -5.248 1.200) 5.396 38.426 ( -6.934 -3.305 -8.140) 11.192 38.426 ( -6.934 -3.305 8.140) 11.192 40.073 ( 6.580 1.085 -1.950) 6.948 40.073 ( 6.580 1.085 1.950) 6.948 40.318 ( -3.208 1.604 -2.141) 4.178 40.318 ( -3.208 1.604 2.141) 4.178 41.317 ( 3.099 -4.467 -4.448) 7.025 41.317 ( 3.099 -4.467 4.448) 7.025 41.645 ( -6.987 3.234 -2.896) 8.226 41.645 ( -6.987 3.234 2.896) 8.226 43.500 ( 6.547 -4.791 -21.400) 22.887 43.500 ( 6.547 -4.791 21.400) 22.887 44.391 ( -1.514 9.609 -8.656) 13.021 44.391 ( -1.514 9.609 8.656) 13.021 ======================= Grid point 279 (92/96) ======================= q-point: (-0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 0.000 -10.617 -18.062) 20.951 3.147 ( 0.000 -10.617 18.062) 20.951 3.610 ( 0.000 3.566 -19.572) 19.895 3.610 ( -0.000 3.566 19.572) 19.895 3.963 ( -0.000 -20.270 -31.646) 37.581 3.963 ( 0.000 -20.270 31.646) 37.581 4.611 ( 0.000 8.329 -16.282) 18.288 4.611 ( 0.000 8.329 16.282) 18.289 4.675 ( -0.000 -0.123 -10.742) 10.742 4.675 ( 0.000 -0.123 10.742) 10.742 5.180 ( 0.000 1.191 -17.331) 17.372 5.180 ( 0.000 1.191 17.331) 17.372 5.214 ( -0.000 -7.581 -6.549) 10.018 5.214 ( -0.000 -7.581 6.549) 10.018 5.916 ( 0.000 -1.789 -1.322) 2.225 5.916 ( 0.000 -1.789 1.322) 2.225 7.242 ( 0.000 4.187 -6.435) 7.677 7.242 ( 0.000 4.187 6.435) 7.677 7.781 ( 0.000 1.414 -6.840) 6.985 7.781 ( 0.000 1.414 6.840) 6.985 7.954 ( 0.000 -10.140 -9.887) 14.162 7.954 ( -0.000 -10.140 9.887) 14.162 8.236 ( 0.000 1.380 -7.207) 7.338 8.236 ( 0.000 1.380 7.207) 7.338 9.370 ( 0.000 2.455 -6.011) 6.493 9.370 ( 0.000 2.455 6.011) 6.493 9.574 ( 0.000 16.074 -14.396) 21.578 9.574 ( 0.000 16.074 14.396) 21.578 10.436 ( 0.000 -1.287 -6.798) 6.919 10.436 ( 0.000 -1.287 6.798) 6.919 10.568 ( 0.000 2.728 -12.511) 12.805 10.568 ( 0.000 2.728 12.511) 12.805 11.679 ( 0.000 2.368 -7.796) 8.148 11.679 ( 0.000 2.368 7.796) 8.148 11.856 ( 0.000 -5.224 -10.065) 11.340 11.856 ( 0.000 -5.224 10.065) 11.340 12.479 ( -0.000 -3.361 -3.029) 4.524 12.479 ( 0.000 -3.361 3.029) 4.524 12.592 ( 0.000 -11.023 -10.757) 15.402 12.592 ( 0.000 -11.023 10.757) 15.402 13.300 ( 0.000 1.372 -3.935) 4.168 13.300 ( 0.000 1.372 3.935) 4.168 13.893 ( 0.000 13.857 -3.239) 14.231 13.893 ( 0.000 13.857 3.239) 14.231 14.232 ( 0.000 -0.877 -2.673) 2.813 14.232 ( 0.000 -0.877 2.673) 2.813 14.738 ( -0.000 9.080 -13.294) 16.099 14.738 ( 0.000 9.080 13.294) 16.099 15.183 ( 0.000 -5.510 -9.703) 11.158 15.183 ( 0.000 -5.510 9.703) 11.158 15.660 ( 0.000 -0.230 -13.572) 13.574 15.660 ( 0.000 -0.230 13.572) 13.574 17.781 ( 0.000 -5.831 -23.402) 24.117 17.781 ( 0.000 -5.831 23.402) 24.117 17.857 ( -0.000 -0.725 -17.807) 17.822 17.857 ( 0.000 -0.725 17.807) 17.822 18.818 ( -0.000 -0.415 -5.927) 5.942 18.818 ( 0.000 -0.415 5.927) 5.942 18.937 ( 0.000 -2.740 -6.257) 6.831 18.937 ( 0.000 -2.740 6.257) 6.831 19.715 ( 0.000 5.118 -8.773) 10.156 19.715 ( 0.000 5.118 8.773) 10.156 19.779 ( 0.000 3.578 -11.988) 12.511 19.779 ( -0.000 3.578 11.988) 12.511 20.471 ( 0.000 0.727 -22.782) 22.793 20.471 ( 0.000 0.727 22.782) 22.793 20.882 ( 0.000 6.064 -7.032) 9.285 20.882 ( 0.000 6.064 7.032) 9.285 22.530 ( 0.000 -0.486 -2.669) 2.713 22.530 ( 0.000 -0.486 2.669) 2.713 22.589 ( 0.000 -0.407 -4.335) 4.354 22.589 ( 0.000 -0.407 4.335) 4.354 24.813 ( 0.000 -14.773 -23.466) 27.729 24.813 ( 0.000 -14.773 23.466) 27.729 26.253 ( 0.000 10.717 -14.879) 18.337 26.253 ( 0.000 10.717 14.879) 18.337 27.336 ( 0.000 -10.903 -28.818) 30.812 27.336 ( 0.000 -10.903 28.818) 30.812 28.130 ( 0.000 3.010 -16.229) 16.506 28.130 ( 0.000 3.010 16.229) 16.506 28.823 ( -0.000 2.834 -4.560) 5.369 28.823 ( 0.000 2.834 4.560) 5.369 28.919 ( 0.000 9.061 -8.639) 12.519 28.919 ( 0.000 9.061 8.639) 12.519 30.344 ( 0.000 -16.597 -20.119) 26.082 30.344 ( 0.000 -16.597 20.119) 26.082 31.280 ( -0.000 4.288 -13.370) 14.041 31.280 ( 0.000 4.288 13.370) 14.041 32.709 ( 0.000 0.123 -2.996) 2.999 32.709 ( 0.000 0.123 2.996) 2.999 32.825 ( 0.000 1.723 -3.589) 3.981 32.825 ( 0.000 1.723 3.589) 3.981 38.087 ( 0.000 -6.874 -2.203) 7.218 38.087 ( 0.000 -6.874 2.203) 7.218 38.348 ( 0.000 -1.825 -8.750) 8.938 38.348 ( 0.000 -1.825 8.750) 8.938 40.170 ( 0.000 2.596 -2.864) 3.865 40.170 ( 0.000 2.596 2.864) 3.865 40.255 ( 0.000 0.093 -0.965) 0.969 40.255 ( -0.000 0.093 0.965) 0.969 41.367 ( 0.000 -4.227 -6.017) 7.354 41.367 ( 0.000 -4.227 6.017) 7.354 41.556 ( 0.000 3.264 -3.205) 4.574 41.556 ( 0.000 3.264 3.205) 4.574 43.571 ( 0.000 -4.411 -24.706) 25.097 43.571 ( 0.000 -4.411 24.706) 25.097 44.373 ( 0.000 9.097 -11.347) 14.543 44.373 ( 0.000 9.097 11.347) 14.543 ======================= Grid point 287 (93/96) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( 0.000 -4.393 -1.874) 4.776 2.134 ( 0.000 -4.393 1.874) 4.776 3.199 ( 0.000 -3.739 -7.655) 8.519 3.199 ( 0.000 -3.739 7.655) 8.519 3.807 ( 0.000 9.138 -3.872) 9.924 3.807 ( 0.000 9.138 3.872) 9.924 4.204 ( 0.000 -0.872 -3.226) 3.341 4.204 ( 0.000 -0.872 3.226) 3.341 4.813 ( 0.000 -10.344 -3.727) 10.995 4.813 ( 0.000 -10.344 3.727) 10.995 5.438 ( 0.000 -4.745 -1.598) 5.007 5.438 ( 0.000 -4.745 1.598) 5.007 5.882 ( 0.000 -1.273 -1.189) 1.742 5.882 ( 0.000 -1.273 1.189) 1.742 6.394 ( 0.000 3.060 -1.279) 3.317 6.394 ( 0.000 3.060 1.279) 3.317 7.016 ( 0.000 5.699 -6.145) 8.381 7.016 ( 0.000 5.699 6.145) 8.381 7.612 ( 0.000 -0.986 -0.309) 1.033 7.612 ( 0.000 -0.986 0.309) 1.033 7.854 ( 0.000 -4.176 -7.656) 8.721 7.854 ( 0.000 -4.176 7.656) 8.721 8.458 ( 0.000 -1.021 -1.504) 1.818 8.458 ( 0.000 -1.021 1.504) 1.818 9.295 ( 0.000 1.599 -2.719) 3.154 9.295 ( 0.000 1.599 2.719) 3.154 9.750 ( 0.000 9.544 -9.094) 13.183 9.750 ( 0.000 9.544 9.094) 13.183 10.332 ( 0.000 -2.669 -2.540) 3.685 10.332 ( 0.000 -2.669 2.540) 3.685 10.679 ( 0.000 -0.033 -0.097) 0.103 10.679 ( 0.000 -0.033 0.097) 0.103 11.692 ( 0.000 -5.755 -0.662) 5.793 11.692 ( 0.000 -5.755 0.662) 5.793 11.767 ( 0.000 3.662 -2.475) 4.420 11.767 ( 0.000 3.662 2.475) 4.420 11.887 ( 0.000 -1.848 -0.295) 1.871 11.887 ( 0.000 -1.848 0.295) 1.871 12.715 ( 0.000 -4.451 -1.999) 4.880 12.715 ( 0.000 -4.451 1.999) 4.880 13.487 ( 0.000 2.355 -1.329) 2.705 13.487 ( 0.000 2.355 1.329) 2.705 14.123 ( 0.000 9.198 -0.682) 9.223 14.123 ( 0.000 9.198 0.682) 9.223 14.238 ( 0.000 2.261 -1.882) 2.942 14.238 ( 0.000 2.261 1.882) 2.942 14.517 ( 0.000 -2.699 -1.992) 3.354 14.517 ( 0.000 -2.699 1.992) 3.354 15.468 ( 0.000 0.798 -2.948) 3.054 15.468 ( 0.000 0.798 2.948) 3.054 16.334 ( 0.000 -4.718 -8.153) 9.420 16.334 ( 0.000 -4.718 8.153) 9.420 16.715 ( 0.000 -0.204 -8.179) 8.182 16.715 ( 0.000 -0.204 8.179) 8.182 18.217 ( 0.000 3.571 -5.365) 6.445 18.217 ( 0.000 3.571 5.365) 6.445 18.382 ( 0.000 -5.662 -2.821) 6.326 18.382 ( 0.000 -5.662 2.821) 6.326 19.092 ( 0.000 -0.131 -0.540) 0.555 19.092 ( 0.000 -0.131 0.540) 0.555 19.644 ( 0.000 5.427 -0.645) 5.465 19.644 ( 0.000 5.427 0.645) 5.465 19.946 ( 0.000 -3.496 -2.156) 4.107 19.946 ( 0.000 -3.496 2.156) 4.107 20.685 ( 0.000 3.968 -3.649) 5.391 20.685 ( 0.000 3.968 3.649) 5.391 20.998 ( 0.000 1.360 -2.802) 3.115 20.998 ( 0.000 1.360 2.802) 3.115 22.449 ( 0.000 -0.661 -0.562) 0.867 22.449 ( 0.000 -0.661 0.562) 0.867 22.593 ( 0.000 0.369 -0.496) 0.618 22.593 ( 0.000 0.369 0.496) 0.618 24.662 ( 0.000 -5.131 -4.764) 7.002 24.662 ( 0.000 -5.131 4.764) 7.002 26.472 ( 0.000 -0.829 -7.966) 8.009 26.472 ( 0.000 -0.829 7.966) 8.009 26.865 ( 0.000 1.243 -9.859) 9.937 26.865 ( 0.000 1.243 9.859) 9.937 28.353 ( 0.000 -0.343 -0.565) 0.661 28.353 ( 0.000 -0.343 0.565) 0.661 28.820 ( 0.000 9.137 -5.656) 10.746 28.820 ( 0.000 9.137 5.656) 10.746 29.046 ( 0.000 -5.220 -1.851) 5.538 29.046 ( 0.000 -5.220 1.851) 5.538 29.958 ( 0.000 -5.394 -4.718) 7.166 29.958 ( 0.000 -5.394 4.718) 7.166 31.678 ( 0.000 0.019 -1.453) 1.453 31.678 ( 0.000 0.019 1.453) 1.453 32.517 ( 0.000 0.400 -0.348) 0.530 32.517 ( 0.000 0.400 0.348) 0.530 32.884 ( 0.000 0.713 -1.290) 1.474 32.884 ( 0.000 0.713 1.290) 1.474 38.048 ( 0.000 -1.030 -0.051) 1.032 38.048 ( 0.000 -1.030 0.051) 1.032 38.568 ( 0.000 -2.569 -2.368) 3.494 38.568 ( 0.000 -2.569 2.368) 3.494 39.882 ( 0.000 -0.028 -0.539) 0.540 39.882 ( 0.000 -0.028 0.539) 0.540 40.430 ( 0.000 2.109 -1.477) 2.574 40.430 ( 0.000 2.109 1.477) 2.574 41.157 ( 0.000 -3.400 -1.048) 3.557 41.157 ( 0.000 -3.400 1.048) 3.557 41.925 ( 0.000 1.633 -0.631) 1.751 41.925 ( 0.000 1.633 0.631) 1.751 43.197 ( 0.000 -1.656 -2.960) 3.392 43.197 ( 0.000 -1.656 2.960) 3.392 44.578 ( 0.000 3.925 -0.073) 3.926 44.578 ( 0.000 3.925 0.073) 3.926 ======================= Grid point 289 (94/96) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.305 ( 16.167 -4.137 -14.645) 22.202 2.305 ( 16.167 -4.137 14.645) 22.202 3.234 ( 4.884 -5.152 -12.238) 14.148 3.234 ( 4.884 -5.152 12.238) 14.148 3.923 ( 6.619 7.252 -4.918) 10.981 3.923 ( 6.619 7.252 4.918) 10.981 4.222 ( 3.903 -0.206 -2.107) 4.440 4.222 ( 3.903 -0.206 2.107) 4.440 4.760 ( -3.794 -8.080 -6.088) 10.805 4.760 ( -3.794 -8.080 6.088) 10.805 5.401 ( -4.425 -3.256 -3.130) 6.323 5.401 ( -4.425 -3.256 3.130) 6.323 5.863 ( -2.009 -1.560 -2.504) 3.570 5.863 ( -2.009 -1.560 2.504) 3.570 6.151 ( -20.937 2.514 -8.972) 22.917 6.151 ( -20.937 2.514 8.972) 22.917 7.134 ( 9.660 5.375 -10.986) 15.585 7.134 ( 9.660 5.375 10.986) 15.585 7.525 ( -5.561 -3.627 -6.009) 8.955 7.525 ( -5.561 -3.627 6.009) 8.955 7.961 ( 6.767 -2.521 -5.660) 9.175 7.961 ( 6.767 -2.521 5.660) 9.175 8.390 ( -5.833 -0.653 -6.165) 8.513 8.390 ( -5.833 -0.653 6.165) 8.513 9.300 ( 1.320 1.723 -1.890) 2.878 9.300 ( 1.320 1.723 1.890) 2.878 9.805 ( 3.932 9.876 -10.588) 15.003 9.805 ( 3.932 9.876 10.588) 15.003 10.341 ( 0.959 -2.869 -2.492) 3.920 10.341 ( 0.959 -2.869 2.492) 3.920 10.666 ( -1.295 0.133 -6.795) 6.919 10.666 ( -1.295 0.133 6.795) 6.919 11.690 ( -0.065 -5.653 -7.246) 9.190 11.690 ( -0.065 -5.653 7.246) 9.190 11.738 ( -0.530 3.428 -2.456) 4.251 11.738 ( -0.530 3.428 2.456) 4.251 12.016 ( 10.161 -1.924 -7.630) 12.852 12.016 ( 10.161 -1.924 7.630) 12.852 12.673 ( -3.909 -4.135 -2.430) 6.188 12.673 ( -3.909 -4.135 2.430) 6.188 13.451 ( -3.531 1.799 -0.683) 4.021 13.451 ( -3.531 1.799 0.683) 4.021 14.108 ( -1.088 7.530 -6.141) 9.777 14.108 ( -1.088 7.530 6.142) 9.777 14.253 ( 0.866 2.346 -3.958) 4.682 14.253 ( 0.866 2.346 3.958) 4.682 14.579 ( 6.083 -0.951 -1.035) 6.243 14.579 ( 6.083 -0.951 1.035) 6.243 15.404 ( -6.101 0.433 -5.638) 8.319 15.404 ( -6.101 0.433 5.638) 8.319 16.039 ( -18.375 -2.855 -18.433) 26.183 16.039 ( -18.375 -2.855 18.433) 26.183 17.043 ( 21.594 -1.798 -15.844) 26.843 17.043 ( 21.594 -1.798 15.844) 26.843 18.138 ( -6.081 0.848 -6.719) 9.101 18.138 ( -6.081 0.848 6.719) 9.101 18.487 ( 8.382 -2.773 -2.141) 9.084 18.487 ( 8.382 -2.773 2.141) 9.084 19.068 ( -2.488 -0.143 -0.857) 2.635 19.068 ( -2.488 -0.143 0.857) 2.635 19.643 ( 0.424 4.471 -1.362) 4.693 19.643 ( 0.424 4.471 1.362) 4.693 19.938 ( -1.007 -2.481 -3.244) 4.207 19.938 ( -1.007 -2.481 3.244) 4.207 20.688 ( -1.171 3.906 -7.714) 8.725 20.688 ( -1.171 3.906 7.714) 8.725 20.955 ( -2.727 1.222 -9.041) 9.522 20.955 ( -2.727 1.222 9.041) 9.522 22.465 ( 1.502 -0.615 -0.499) 1.698 22.465 ( 1.502 -0.615 0.499) 1.698 22.593 ( -0.101 0.234 -1.794) 1.813 22.593 ( -0.101 0.234 1.794) 1.813 24.650 ( -1.136 -5.226 -11.951) 13.093 24.650 ( -1.136 -5.226 11.951) 13.093 26.441 ( -2.376 0.806 -13.288) 13.523 26.441 ( -2.376 0.806 13.288) 13.523 26.948 ( 7.239 -0.565 -21.689) 22.872 26.948 ( 7.239 -0.565 21.689) 22.872 28.321 ( -3.300 -0.018 -3.937) 5.137 28.321 ( -3.300 -0.018 3.937) 5.137 28.813 ( 0.016 6.567 -4.924) 8.208 28.813 ( 0.016 6.567 4.924) 8.208 29.067 ( 1.380 -2.029 -3.744) 4.477 29.067 ( 1.380 -2.029 3.744) 4.477 29.983 ( 2.431 -6.079 -7.222) 9.748 29.983 ( 2.431 -6.079 7.222) 9.748 31.588 ( -7.919 0.340 -8.116) 11.345 31.588 ( -7.919 0.340 8.116) 11.345 32.571 ( 4.558 0.281 -0.438) 4.587 32.571 ( 4.558 0.281 0.438) 4.587 32.880 ( -0.495 0.690 -1.297) 1.550 32.880 ( -0.495 0.690 1.297) 1.550 38.031 ( -1.493 -1.407 -0.718) 2.174 38.031 ( -1.493 -1.407 0.718) 2.174 38.502 ( -5.857 -2.193 -4.719) 7.834 38.502 ( -5.857 -2.193 4.719) 7.834 39.949 ( 6.121 0.177 -1.349) 6.270 39.949 ( 6.121 0.177 1.349) 6.270 40.409 ( -2.138 1.648 -1.566) 3.121 40.409 ( -2.138 1.648 1.566) 3.121 41.180 ( 2.266 -2.967 -1.532) 4.035 41.180 ( 2.266 -2.967 1.532) 4.035 41.845 ( -6.989 1.506 -2.398) 7.542 41.845 ( -6.989 1.506 2.398) 7.542 43.284 ( 7.591 -1.549 -13.616) 15.666 43.284 ( 7.591 -1.549 13.616) 15.666 44.562 ( -1.613 3.773 -3.489) 5.386 44.562 ( -1.613 3.773 3.489) 5.386 ======================= Grid point 291 (95/96) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 2.698 ( 20.191 -5.154 -21.172) 29.707 2.698 ( 20.191 -5.154 21.172) 29.707 3.417 ( 12.462 -6.438 -15.134) 20.635 3.417 ( 12.462 -6.438 15.134) 20.635 3.874 ( -9.907 -0.587 -14.823) 17.838 3.874 ( -9.907 -0.587 14.823) 17.838 4.441 ( 15.148 4.831 -4.698) 16.579 4.441 ( 15.148 4.831 4.698) 16.579 4.739 ( 2.861 -3.833 -7.951) 9.279 4.739 ( 2.861 -3.833 7.951) 9.279 5.244 ( -10.870 0.086 -6.239) 12.534 5.244 ( -10.870 0.086 6.239) 12.534 5.576 ( -26.670 -0.430 -16.698) 31.469 5.576 ( -26.670 -0.430 16.698) 31.469 5.908 ( -0.636 -0.014 -1.559) 1.684 5.908 ( -0.636 -0.014 1.559) 1.684 7.303 ( 3.349 5.908 -10.893) 12.837 7.303 ( 3.349 5.908 10.893) 12.837 7.496 ( 6.419 -7.565 -8.829) 13.281 7.496 ( 6.419 -7.565 8.829) 13.281 7.984 ( -6.647 -3.713 -12.773) 14.870 7.984 ( -6.647 -3.713 12.773) 14.870 8.312 ( -0.056 2.397 -3.806) 4.498 8.312 ( -0.056 2.397 3.806) 4.498 9.356 ( 3.561 1.282 -4.836) 6.141 9.356 ( 3.561 1.282 4.836) 6.141 9.857 ( 0.920 10.257 -11.962) 15.785 9.857 ( 0.920 10.257 11.962) 15.785 10.370 ( 1.808 -2.741 -4.396) 5.487 10.370 ( 1.808 -2.741 4.396) 5.487 10.630 ( -2.073 0.617 -12.340) 12.529 10.630 ( -2.073 0.617 12.340) 12.529 11.702 ( 1.243 -3.765 -10.042) 10.796 11.702 ( 1.243 -3.765 10.042) 10.796 11.742 ( 0.256 1.272 -4.324) 4.515 11.742 ( 0.256 1.272 4.324) 4.515 12.243 ( 11.592 -2.213 -9.116) 14.912 12.243 ( 11.592 -2.213 9.116) 14.912 12.576 ( -5.498 -3.184 -3.174) 7.102 12.576 ( -5.498 -3.184 3.174) 7.102 13.360 ( -4.844 0.430 -0.941) 4.953 13.360 ( -4.844 0.430 0.941) 4.953 14.095 ( -0.012 6.194 -6.748) 9.160 14.095 ( -0.012 6.194 6.748) 9.160 14.252 ( -1.027 1.237 -1.623) 2.285 14.252 ( -1.027 1.237 1.623) 2.285 14.744 ( 9.775 2.257 -3.542) 10.639 14.744 ( 9.775 2.257 3.542) 10.639 15.244 ( -9.134 -0.261 -6.311) 11.105 15.244 ( -9.134 -0.261 6.311) 11.105 15.734 ( -11.234 -2.366 -16.211) 19.865 15.734 ( -11.234 -2.366 16.211) 19.865 17.444 ( 17.717 -2.211 -11.361) 21.162 17.444 ( 17.717 -2.211 11.361) 21.162 17.995 ( -8.260 -0.445 -8.982) 12.210 17.995 ( -8.260 -0.445 8.982) 12.210 18.675 ( 9.803 -0.941 -1.756) 10.003 18.675 ( 9.803 -0.941 1.756) 10.003 18.993 ( -4.914 -0.252 -1.184) 5.061 18.993 ( -4.914 -0.252 1.184) 5.061 19.686 ( 4.169 2.838 -2.534) 5.644 19.686 ( 4.169 2.838 2.534) 5.644 19.897 ( -3.338 -0.748 -3.602) 4.968 19.897 ( -3.338 -0.748 3.602) 4.968 20.594 ( -6.900 2.652 -25.399) 26.452 20.594 ( -6.900 2.652 25.399) 26.452 20.948 ( 1.473 2.023 -4.084) 4.790 20.948 ( 1.473 2.023 4.084) 4.790 22.501 ( 1.865 -0.419 -0.894) 2.110 22.501 ( 1.865 -0.419 0.894) 2.110 22.587 ( -0.529 -0.132 -3.826) 3.864 22.587 ( -0.529 -0.132 3.826) 3.864 24.624 ( -1.213 -5.414 -20.197) 20.945 24.624 ( -1.213 -5.414 20.197) 20.945 26.401 ( -1.443 2.628 -11.767) 12.143 26.401 ( -1.443 2.628 11.767) 12.143 27.105 ( 7.290 -2.929 -26.403) 27.547 27.105 ( 7.290 -2.929 26.403) 27.547 28.232 ( -4.828 0.801 -6.931) 8.484 28.232 ( -4.828 0.801 6.931) 8.484 28.835 ( 1.914 3.037 -4.278) 5.585 28.835 ( 1.914 3.037 4.278) 5.585 29.079 ( -0.256 2.635 -5.662) 6.250 29.079 ( -0.256 2.635 5.662) 6.250 30.046 ( 3.338 -7.450 -11.824) 14.369 30.046 ( 3.338 -7.450 11.824) 14.369 31.418 ( -7.616 0.985 -11.359) 13.711 31.418 ( -7.616 0.985 11.359) 13.711 32.665 ( 4.185 0.169 -1.071) 4.323 32.665 ( 4.185 0.169 1.071) 4.323 32.864 ( -1.072 0.623 -1.545) 1.981 32.864 ( -1.072 0.623 1.545) 1.981 38.001 ( -1.222 -2.240 -1.535) 2.978 38.001 ( -1.222 -2.240 1.535) 2.978 38.378 ( -5.490 -1.407 -6.840) 8.882 38.378 ( -5.490 -1.407 6.840) 8.882 40.093 ( 7.551 0.635 -1.555) 7.735 40.093 ( 7.551 0.635 1.555) 7.735 40.344 ( -4.319 0.922 -1.330) 4.612 40.344 ( -4.319 0.922 1.330) 4.612 41.244 ( 3.803 -2.377 -1.928) 4.882 41.244 ( 3.803 -2.377 1.928) 4.882 41.692 ( -7.232 1.348 -1.978) 7.618 41.692 ( -7.232 1.348 1.978) 7.618 43.442 ( 6.965 -1.335 -22.743) 23.823 43.442 ( 6.965 -1.335 22.743) 23.823 44.521 ( -2.112 3.447 -7.787) 8.774 44.521 ( -2.112 3.447 7.787) 8.774 ======================= Grid point 293 (96/96) ======================= q-point: (-0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 0.000 -7.565 -19.223) 20.657 2.946 ( 0.000 -7.565 19.223) 20.658 3.645 ( 0.000 -8.853 -17.967) 20.030 3.645 ( -0.000 -8.853 17.967) 20.030 3.662 ( -0.000 1.490 -18.884) 18.943 3.662 ( 0.000 1.490 18.884) 18.943 4.724 ( 0.000 2.964 -9.256) 9.719 4.724 ( 0.000 2.964 9.256) 9.719 4.739 ( -0.000 3.422 -6.331) 7.197 4.739 ( -0.000 3.422 6.331) 7.197 5.110 ( 0.000 -3.092 -4.696) 5.622 5.110 ( 0.000 -3.092 4.696) 5.622 5.191 ( 0.000 0.147 -20.490) 20.490 5.191 ( -0.000 0.147 20.490) 20.490 5.911 ( 0.000 0.645 -2.054) 2.153 5.911 ( 0.000 0.645 2.054) 2.153 7.307 ( 0.000 2.073 -6.157) 6.497 7.307 ( 0.000 2.073 6.157) 6.497 7.686 ( -0.000 -5.228 -18.808) 19.521 7.686 ( 0.000 -5.228 18.808) 19.521 7.804 ( 0.000 -4.468 -10.215) 11.149 7.804 ( -0.000 -4.468 10.215) 11.149 8.329 ( 0.000 3.879 -4.148) 5.680 8.329 ( 0.000 3.879 4.148) 5.680 9.400 ( 0.000 0.743 -7.126) 7.165 9.400 ( 0.000 0.743 7.126) 7.165 9.859 ( 0.000 10.293 -12.377) 16.098 9.859 ( 0.000 10.293 12.377) 16.098 10.394 ( 0.000 -2.366 -5.719) 6.189 10.394 ( 0.000 -2.366 5.719) 6.189 10.604 ( 0.000 0.904 -14.796) 14.824 10.604 ( -0.000 0.904 14.796) 14.824 11.724 ( 0.000 -5.343 -14.023) 15.006 11.724 ( 0.000 -5.343 14.023) 15.006 11.739 ( 0.000 2.549 -3.135) 4.040 11.739 ( 0.000 2.549 3.135) 4.040 12.427 ( -0.000 -4.959 -12.698) 13.631 12.427 ( -0.000 -4.959 12.698) 13.631 12.463 ( 0.000 0.287 -1.410) 1.439 12.463 ( 0.000 0.287 1.410) 1.439 13.301 ( 0.000 -0.507 -2.002) 2.065 13.301 ( 0.000 -0.507 2.002) 2.065 14.099 ( 0.000 6.109 -5.986) 8.552 14.099 ( 0.000 6.109 5.986) 8.552 14.234 ( -0.000 0.420 -1.990) 2.034 14.234 ( 0.000 0.420 1.990) 2.034 14.891 ( -0.000 5.364 -10.632) 11.908 14.891 ( -0.000 5.364 10.632) 11.908 15.108 ( 0.000 -1.993 -4.739) 5.141 15.108 ( 0.000 -1.993 4.739) 5.141 15.617 ( 0.000 -2.674 -13.866) 14.122 15.617 ( 0.000 -2.674 13.866) 14.122 17.687 ( 0.000 -2.889 -8.810) 9.272 17.687 ( 0.000 -2.889 8.810) 9.272 17.849 ( -0.000 -0.192 -15.944) 15.946 17.849 ( 0.000 -0.192 15.944) 15.946 18.827 ( -0.000 0.657 -5.500) 5.539 18.827 ( 0.000 0.657 5.500) 5.539 18.895 ( 0.000 -1.226 -4.841) 4.994 18.895 ( 0.000 -1.226 4.841) 4.994 19.787 ( 0.000 1.991 -7.343) 7.608 19.787 ( -0.000 1.991 7.343) 7.608 19.809 ( -0.000 0.216 -7.373) 7.376 19.809 ( -0.000 0.216 7.373) 7.376 20.508 ( 0.000 1.875 -32.430) 32.484 20.508 ( 0.000 1.875 32.430) 32.484 20.969 ( 0.000 2.457 -3.245) 4.070 20.969 ( 0.000 2.457 3.245) 4.070 22.525 ( 0.000 -0.135 -2.588) 2.591 22.525 ( 0.000 -0.135 2.588) 2.591 22.578 ( 0.000 -0.496 -6.077) 6.097 22.578 ( 0.000 -0.496 6.077) 6.097 24.610 ( 0.000 -5.508 -23.479) 24.117 24.610 ( 0.000 -5.508 23.479) 24.117 26.386 ( 0.000 3.220 -10.098) 10.599 26.386 ( 0.000 3.220 10.098) 10.599 27.188 ( 0.000 -3.970 -27.103) 27.392 27.188 ( 0.000 -3.970 27.103) 27.392 28.174 ( 0.000 1.341 -8.119) 8.229 28.174 ( 0.000 1.341 8.119) 8.229 28.862 ( -0.000 1.052 -4.488) 4.610 28.862 ( 0.000 1.052 4.488) 4.610 29.071 ( 0.000 5.149 -6.988) 8.680 29.071 ( 0.000 5.149 6.988) 8.680 30.085 ( 0.000 -8.157 -14.175) 16.354 30.085 ( 0.000 -8.157 14.175) 16.354 31.334 ( 0.000 1.373 -11.842) 11.921 31.334 ( 0.000 1.373 11.842) 11.921 32.713 ( 0.000 0.151 -1.538) 1.545 32.713 ( 0.000 0.151 1.538) 1.545 32.848 ( 0.000 0.579 -2.169) 2.245 32.848 ( 0.000 0.579 2.169) 2.245 37.989 ( 0.000 -2.735 -2.099) 3.448 37.989 ( 0.000 -2.735 2.099) 3.448 38.318 ( 0.000 -0.949 -7.662) 7.720 38.318 ( 0.000 -0.949 7.662) 7.720 40.220 ( 0.000 1.770 -2.713) 3.240 40.220 ( 0.000 1.770 2.713) 3.240 40.251 ( 0.000 -0.240 -0.249) 0.346 40.251 ( -0.000 -0.240 0.249) 0.346 41.295 ( 0.000 -2.375 -2.323) 3.322 41.295 ( 0.000 -2.375 2.323) 3.322 41.606 ( 0.000 1.466 -1.330) 1.979 41.606 ( 0.000 1.466 1.330) 1.979 43.519 ( 0.000 -1.215 -26.674) 26.702 43.519 ( 0.000 -1.215 26.674) 26.702 44.496 ( 0.000 3.271 -10.390) 10.893 44.496 ( 0.000 3.271 10.390) 10.893 =================== 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 3/45360 10.0 712.199 851.349 803.464 0.000 0.000 0.000 3/45360 20.0 239.888 280.955 325.866 0.000 0.000 0.000 3/45360 30.0 91.803 113.521 134.696 0.000 0.000 0.000 3/45360 40.0 46.870 58.413 73.759 0.000 0.000 0.000 3/45360 50.0 28.561 35.532 47.269 0.000 0.000 0.000 3/45360 60.0 19.523 24.232 33.486 0.000 0.000 0.000 3/45360 70.0 14.421 17.876 25.377 0.000 0.000 0.000 3/45360 80.0 11.251 13.942 20.175 0.000 0.000 0.000 3/45360 90.0 9.138 11.329 16.621 0.000 0.000 0.000 3/45360 100.0 7.653 9.495 14.075 0.000 0.000 0.000 3/45360 110.0 6.566 8.154 12.184 0.000 0.000 0.000 3/45360 120.0 5.743 7.138 10.737 0.000 0.000 0.000 3/45360 130.0 5.103 6.348 9.603 0.000 0.000 0.000 3/45360 140.0 4.595 5.719 8.696 0.000 0.000 0.000 3/45360 150.0 4.184 5.208 7.958 0.000 0.000 0.000 3/45360 160.0 3.845 4.786 7.348 0.000 0.000 0.000 3/45360 170.0 3.561 4.432 6.837 0.000 0.000 0.000 3/45360 180.0 3.322 4.131 6.404 0.000 0.000 0.000 3/45360 190.0 3.116 3.873 6.033 0.000 0.000 0.000 3/45360 200.0 2.939 3.649 5.712 0.000 0.000 0.000 3/45360 210.0 2.784 3.452 5.431 0.000 0.000 0.000 3/45360 220.0 2.647 3.279 5.184 0.000 0.000 0.000 3/45360 230.0 2.526 3.124 4.964 0.000 0.000 0.000 3/45360 240.0 2.417 2.986 4.767 0.000 0.000 0.000 3/45360 250.0 2.319 2.861 4.590 0.000 0.000 0.000 3/45360 260.0 2.231 2.748 4.429 0.000 0.000 0.000 3/45360 270.0 2.150 2.645 4.282 0.000 0.000 0.000 3/45360 280.0 2.076 2.551 4.147 0.000 0.000 0.000 3/45360 290.0 2.008 2.464 4.023 0.000 0.000 0.000 3/45360 300.0 1.945 2.384 3.908 0.000 0.000 0.000 3/45360 310.0 1.887 2.310 3.801 0.000 0.000 0.000 3/45360 320.0 1.833 2.241 3.701 0.000 0.000 0.000 3/45360 330.0 1.782 2.176 3.608 0.000 0.000 0.000 3/45360 340.0 1.734 2.116 3.520 0.000 0.000 0.000 3/45360 350.0 1.690 2.060 3.437 0.000 0.000 0.000 3/45360 360.0 1.648 2.006 3.359 0.000 0.000 0.000 3/45360 370.0 1.608 1.956 3.285 0.000 0.000 0.000 3/45360 380.0 1.571 1.909 3.215 0.000 0.000 0.000 3/45360 390.0 1.535 1.864 3.148 0.000 0.000 0.000 3/45360 400.0 1.501 1.821 3.084 0.000 0.000 0.000 3/45360 410.0 1.469 1.781 3.023 0.000 0.000 0.000 3/45360 420.0 1.438 1.742 2.965 0.000 0.000 0.000 3/45360 430.0 1.409 1.706 2.909 0.000 0.000 0.000 3/45360 440.0 1.381 1.671 2.856 0.000 0.000 0.000 3/45360 450.0 1.354 1.637 2.805 0.000 0.000 0.000 3/45360 460.0 1.329 1.605 2.755 0.000 0.000 0.000 3/45360 470.0 1.304 1.575 2.708 0.000 0.000 0.000 3/45360 480.0 1.280 1.545 2.662 0.000 0.000 0.000 3/45360 490.0 1.258 1.517 2.618 0.000 0.000 0.000 3/45360 500.0 1.236 1.490 2.575 0.000 0.000 0.000 3/45360 510.0 1.215 1.463 2.534 0.000 0.000 0.000 3/45360 520.0 1.194 1.438 2.494 0.000 0.000 0.000 3/45360 530.0 1.174 1.414 2.456 0.000 0.000 0.000 3/45360 540.0 1.155 1.390 2.419 0.000 0.000 0.000 3/45360 550.0 1.137 1.368 2.383 0.000 0.000 0.000 3/45360 560.0 1.119 1.346 2.348 0.000 0.000 0.000 3/45360 570.0 1.102 1.325 2.314 0.000 0.000 0.000 3/45360 580.0 1.086 1.304 2.281 0.000 0.000 0.000 3/45360 590.0 1.069 1.285 2.249 0.000 0.000 0.000 3/45360 600.0 1.054 1.265 2.218 0.000 0.000 0.000 3/45360 610.0 1.039 1.247 2.187 0.000 0.000 0.000 3/45360 620.0 1.024 1.229 2.158 0.000 0.000 0.000 3/45360 630.0 1.010 1.211 2.129 0.000 0.000 0.000 3/45360 640.0 0.996 1.194 2.101 0.000 0.000 0.000 3/45360 650.0 0.982 1.178 2.074 0.000 0.000 0.000 3/45360 660.0 0.969 1.162 2.048 0.000 0.000 0.000 3/45360 670.0 0.956 1.146 2.022 0.000 0.000 0.000 3/45360 680.0 0.944 1.131 1.997 0.000 0.000 0.000 3/45360 690.0 0.932 1.116 1.972 0.000 0.000 0.000 3/45360 700.0 0.920 1.102 1.948 0.000 0.000 0.000 3/45360 710.0 0.908 1.088 1.925 0.000 0.000 0.000 3/45360 720.0 0.897 1.074 1.902 0.000 0.000 0.000 3/45360 730.0 0.886 1.061 1.880 0.000 0.000 0.000 3/45360 740.0 0.875 1.048 1.858 0.000 0.000 0.000 3/45360 750.0 0.865 1.035 1.837 0.000 0.000 0.000 3/45360 760.0 0.855 1.023 1.816 0.000 0.000 0.000 3/45360 770.0 0.845 1.011 1.796 0.000 0.000 0.000 3/45360 780.0 0.835 0.999 1.776 0.000 0.000 0.000 3/45360 790.0 0.826 0.987 1.757 0.000 0.000 0.000 3/45360 800.0 0.816 0.976 1.738 0.000 0.000 0.000 3/45360 810.0 0.807 0.965 1.719 0.000 0.000 0.000 3/45360 820.0 0.798 0.954 1.701 0.000 0.000 0.000 3/45360 830.0 0.790 0.944 1.683 0.000 0.000 0.000 3/45360 840.0 0.781 0.934 1.666 0.000 0.000 0.000 3/45360 850.0 0.773 0.924 1.649 0.000 0.000 0.000 3/45360 860.0 0.765 0.914 1.632 0.000 0.000 0.000 3/45360 870.0 0.757 0.904 1.615 0.000 0.000 0.000 3/45360 880.0 0.749 0.895 1.599 0.000 0.000 0.000 3/45360 890.0 0.741 0.886 1.583 0.000 0.000 0.000 3/45360 900.0 0.734 0.877 1.568 0.000 0.000 0.000 3/45360 910.0 0.727 0.868 1.553 0.000 0.000 0.000 3/45360 920.0 0.719 0.859 1.538 0.000 0.000 0.000 3/45360 930.0 0.712 0.851 1.523 0.000 0.000 0.000 3/45360 940.0 0.705 0.842 1.509 0.000 0.000 0.000 3/45360 950.0 0.699 0.834 1.495 0.000 0.000 0.000 3/45360 960.0 0.692 0.826 1.481 0.000 0.000 0.000 3/45360 970.0 0.686 0.818 1.467 0.000 0.000 0.000 3/45360 980.0 0.679 0.810 1.454 0.000 0.000 0.000 3/45360 990.0 0.673 0.803 1.441 0.000 0.000 0.000 3/45360 1000.0 0.667 0.796 1.428 0.000 0.000 0.000 3/45360 Thermal conductivity related properties were written into "kappa-m6710.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 19:57:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|