----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:27:19]------------------------- 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: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.421386030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.667021800000000 Atomic positions (fractional): *1 O 0.24471884239865 0.25000000000000 0.45802692425432 15.999 *2 O 0.98923089122801 0.59185436049916 0.78983640200676 15.999 3 O 0.48923089122801 0.90814563950084 0.71016359799324 15.999 4 O 0.01076910877199 0.09185436049916 0.21016359799324 15.999 5 O 0.25528115760135 0.75000000000000 0.95802692425432 15.999 6 O 0.51076910877199 0.40814563950084 0.28983640200676 15.999 7 O 0.74471884239865 0.25000000000000 0.04197307574568 15.999 8 O 0.75528115760135 0.75000000000000 0.54197307574568 15.999 9 O 0.48923089122801 0.59185436049916 0.71016359799324 15.999 10 O 0.01076910877199 0.40814563950084 0.21016359799324 15.999 11 O 0.51076910877199 0.09185436049916 0.28983640200676 15.999 12 O 0.98923089122801 0.90814563950084 0.78983640200676 15.999 *13 O 0.53192218667095 0.75000000000000 0.20448273497383 15.999 14 O 0.96807781332905 0.25000000000000 0.70448273497383 15.999 15 O 0.46807781332905 0.25000000000000 0.79551726502617 15.999 16 O 0.03192218667095 0.75000000000000 0.29551726502617 15.999 *17 F 0.75215627665904 0.94296947721639 0.09697294558890 18.998 18 F 0.74784372334096 0.05703052278361 0.59697294558890 18.998 19 F 0.74784372334096 0.44296947721639 0.59697294558890 18.998 20 F 0.25215627665904 0.55703052278361 0.40302705441110 18.998 21 F 0.24784372334096 0.05703052278361 0.90302705441110 18.998 22 F 0.25215627665904 0.94296947721639 0.40302705441110 18.998 23 F 0.75215627665904 0.55703052278361 0.09697294558890 18.998 24 F 0.24784372334096 0.44296947721639 0.90302705441110 18.998 *25 Al 0.13054740781460 0.91696590184088 0.09665131113121 26.982 26 Al 0.36945259218540 0.08303409815912 0.59665131113121 26.982 27 Al 0.86945259218540 0.41696590184088 0.90334868886879 26.982 28 Al 0.63054740781460 0.58303409815912 0.40334868886879 26.982 29 Al 0.36945259218540 0.41696590184088 0.59665131113121 26.982 30 Al 0.13054740781460 0.58303409815912 0.09665131113121 26.982 31 Al 0.63054740781460 0.91696590184088 0.40334868886879 26.982 32 Al 0.86945259218540 0.08303409815912 0.90334868886879 26.982 *33 Si 0.94002873246864 0.75000000000000 0.60261693754632 28.085 34 Si 0.55997126753136 0.25000000000000 0.10261693754632 28.085 35 Si 0.05997126753136 0.25000000000000 0.39738306245368 28.085 36 Si 0.44002873246864 0.75000000000000 0.89738306245368 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.421386030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.667021800000000 Atomic positions (fractional): *1 O 0.24471884239865 0.25000000000000 0.45802692425432 15.999 > 1 *2 O 0.98923089122801 0.59185436049916 0.78983640200676 15.999 > 2 3 O 0.48923089122801 0.90814563950084 0.71016359799324 15.999 > 3 4 O 0.01076910877199 0.09185436049916 0.21016359799324 15.999 > 4 5 O 0.25528115760135 0.75000000000000 0.95802692425432 15.999 > 5 6 O 0.51076910877199 0.40814563950084 0.28983640200676 15.999 > 6 7 O 0.74471884239865 0.25000000000000 0.04197307574568 15.999 > 7 8 O 0.75528115760135 0.75000000000000 0.54197307574568 15.999 > 8 9 O 0.48923089122801 0.59185436049916 0.71016359799324 15.999 > 9 10 O 0.01076910877199 0.40814563950084 0.21016359799324 15.999 > 10 11 O 0.51076910877199 0.09185436049916 0.28983640200676 15.999 > 11 12 O 0.98923089122801 0.90814563950084 0.78983640200676 15.999 > 12 *13 O 0.53192218667095 0.75000000000000 0.20448273497383 15.999 > 13 14 O 0.96807781332905 0.25000000000000 0.70448273497383 15.999 > 14 15 O 0.46807781332905 0.25000000000000 0.79551726502617 15.999 > 15 16 O 0.03192218667095 0.75000000000000 0.29551726502617 15.999 > 16 *17 F 0.75215627665904 0.94296947721639 0.09697294558890 18.998 > 17 18 F 0.74784372334096 0.05703052278361 0.59697294558890 18.998 > 18 19 F 0.74784372334096 0.44296947721639 0.59697294558890 18.998 > 19 20 F 0.25215627665904 0.55703052278361 0.40302705441110 18.998 > 20 21 F 0.24784372334096 0.05703052278361 0.90302705441110 18.998 > 21 22 F 0.25215627665904 0.94296947721639 0.40302705441110 18.998 > 22 23 F 0.75215627665904 0.55703052278361 0.09697294558890 18.998 > 23 24 F 0.24784372334096 0.44296947721639 0.90302705441110 18.998 > 24 *25 Al 0.13054740781460 0.91696590184088 0.09665131113121 26.982 > 25 26 Al 0.36945259218540 0.08303409815912 0.59665131113121 26.982 > 26 27 Al 0.86945259218540 0.41696590184088 0.90334868886879 26.982 > 27 28 Al 0.63054740781460 0.58303409815912 0.40334868886879 26.982 > 28 29 Al 0.36945259218540 0.41696590184088 0.59665131113121 26.982 > 29 30 Al 0.13054740781460 0.58303409815912 0.09665131113121 26.982 > 30 31 Al 0.63054740781460 0.91696590184088 0.40334868886879 26.982 > 31 32 Al 0.86945259218540 0.08303409815912 0.90334868886879 26.982 > 32 *33 Si 0.94002873246864 0.75000000000000 0.60261693754632 28.085 > 33 34 Si 0.55997126753136 0.25000000000000 0.10261693754632 28.085 > 34 35 Si 0.05997126753136 0.25000000000000 0.39738306245368 28.085 > 35 36 Si 0.44002873246864 0.75000000000000 0.89738306245368 28.085 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.842772060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.334043599999999 Atomic positions (fractional): *1 O 0.24471884239865 0.12500000000000 0.22901346212716 15.999 > 1 2 O 0.24471884239865 0.62500000000000 0.22901346212716 15.999 > 1 3 O 0.24471884239865 0.12500000000000 0.72901346212716 15.999 > 1 4 O 0.24471884239865 0.62500000000000 0.72901346212716 15.999 > 1 *5 O 0.98923089122801 0.29592718024958 0.39491820100338 15.999 > 2 6 O 0.98923089122801 0.79592718024958 0.39491820100338 15.999 > 2 7 O 0.98923089122801 0.29592718024958 0.89491820100338 15.999 > 2 8 O 0.98923089122801 0.79592718024958 0.89491820100338 15.999 > 2 9 O 0.48923089122801 0.45407281975042 0.35508179899662 15.999 > 3 10 O 0.48923089122801 0.95407281975042 0.35508179899662 15.999 > 3 11 O 0.48923089122801 0.45407281975042 0.85508179899662 15.999 > 3 12 O 0.48923089122801 0.95407281975042 0.85508179899662 15.999 > 3 13 O 0.01076910877199 0.04592718024958 0.10508179899662 15.999 > 4 14 O 0.01076910877199 0.54592718024958 0.10508179899662 15.999 > 4 15 O 0.01076910877199 0.04592718024958 0.60508179899662 15.999 > 4 16 O 0.01076910877199 0.54592718024958 0.60508179899662 15.999 > 4 17 O 0.25528115760135 0.37500000000000 0.47901346212716 15.999 > 5 18 O 0.25528115760135 0.87500000000000 0.47901346212716 15.999 > 5 19 O 0.25528115760135 0.37500000000000 0.97901346212716 15.999 > 5 20 O 0.25528115760135 0.87500000000000 0.97901346212716 15.999 > 5 21 O 0.51076910877199 0.20407281975042 0.14491820100338 15.999 > 6 22 O 0.51076910877199 0.70407281975042 0.14491820100338 15.999 > 6 23 O 0.51076910877199 0.20407281975042 0.64491820100338 15.999 > 6 24 O 0.51076910877199 0.70407281975042 0.64491820100338 15.999 > 6 25 O 0.74471884239865 0.12500000000000 0.02098653787284 15.999 > 7 26 O 0.74471884239865 0.62500000000000 0.02098653787284 15.999 > 7 27 O 0.74471884239865 0.12500000000000 0.52098653787284 15.999 > 7 28 O 0.74471884239865 0.62500000000000 0.52098653787284 15.999 > 7 29 O 0.75528115760135 0.37500000000000 0.27098653787284 15.999 > 8 30 O 0.75528115760135 0.87500000000000 0.27098653787284 15.999 > 8 31 O 0.75528115760135 0.37500000000000 0.77098653787284 15.999 > 8 32 O 0.75528115760135 0.87500000000000 0.77098653787284 15.999 > 8 33 O 0.48923089122801 0.29592718024958 0.35508179899662 15.999 > 9 34 O 0.48923089122801 0.79592718024958 0.35508179899662 15.999 > 9 35 O 0.48923089122801 0.29592718024958 0.85508179899662 15.999 > 9 36 O 0.48923089122801 0.79592718024958 0.85508179899662 15.999 > 9 37 O 0.01076910877199 0.20407281975042 0.10508179899662 15.999 > 10 38 O 0.01076910877199 0.70407281975042 0.10508179899662 15.999 > 10 39 O 0.01076910877199 0.20407281975042 0.60508179899662 15.999 > 10 40 O 0.01076910877199 0.70407281975042 0.60508179899662 15.999 > 10 41 O 0.51076910877199 0.04592718024958 0.14491820100338 15.999 > 11 42 O 0.51076910877199 0.54592718024958 0.14491820100338 15.999 > 11 43 O 0.51076910877199 0.04592718024958 0.64491820100338 15.999 > 11 44 O 0.51076910877199 0.54592718024958 0.64491820100338 15.999 > 11 45 O 0.98923089122801 0.45407281975042 0.39491820100338 15.999 > 12 46 O 0.98923089122801 0.95407281975042 0.39491820100338 15.999 > 12 47 O 0.98923089122801 0.45407281975042 0.89491820100338 15.999 > 12 48 O 0.98923089122801 0.95407281975042 0.89491820100338 15.999 > 12 *49 O 0.53192218667095 0.37500000000000 0.10224136748691 15.999 > 13 50 O 0.53192218667095 0.87500000000000 0.10224136748691 15.999 > 13 51 O 0.53192218667095 0.37500000000000 0.60224136748691 15.999 > 13 52 O 0.53192218667095 0.87500000000000 0.60224136748691 15.999 > 13 53 O 0.96807781332905 0.12500000000000 0.35224136748691 15.999 > 14 54 O 0.96807781332905 0.62500000000000 0.35224136748691 15.999 > 14 55 O 0.96807781332905 0.12500000000000 0.85224136748691 15.999 > 14 56 O 0.96807781332905 0.62500000000000 0.85224136748691 15.999 > 14 57 O 0.46807781332905 0.12500000000000 0.39775863251309 15.999 > 15 58 O 0.46807781332905 0.62500000000000 0.39775863251309 15.999 > 15 59 O 0.46807781332905 0.12500000000000 0.89775863251309 15.999 > 15 60 O 0.46807781332905 0.62500000000000 0.89775863251309 15.999 > 15 61 O 0.03192218667095 0.37500000000000 0.14775863251309 15.999 > 16 62 O 0.03192218667095 0.87500000000000 0.14775863251309 15.999 > 16 63 O 0.03192218667095 0.37500000000000 0.64775863251309 15.999 > 16 64 O 0.03192218667095 0.87500000000000 0.64775863251309 15.999 > 16 *65 F 0.75215627665904 0.47148473860820 0.04848647279445 18.998 > 17 66 F 0.75215627665904 0.97148473860820 0.04848647279445 18.998 > 17 67 F 0.75215627665904 0.47148473860820 0.54848647279445 18.998 > 17 68 F 0.75215627665904 0.97148473860820 0.54848647279445 18.998 > 17 69 F 0.74784372334096 0.02851526139180 0.29848647279445 18.998 > 18 70 F 0.74784372334096 0.52851526139180 0.29848647279445 18.998 > 18 71 F 0.74784372334096 0.02851526139180 0.79848647279445 18.998 > 18 72 F 0.74784372334096 0.52851526139180 0.79848647279445 18.998 > 18 73 F 0.74784372334096 0.22148473860820 0.29848647279445 18.998 > 19 74 F 0.74784372334096 0.72148473860820 0.29848647279445 18.998 > 19 75 F 0.74784372334096 0.22148473860820 0.79848647279445 18.998 > 19 76 F 0.74784372334096 0.72148473860820 0.79848647279445 18.998 > 19 77 F 0.25215627665904 0.27851526139180 0.20151352720555 18.998 > 20 78 F 0.25215627665904 0.77851526139180 0.20151352720555 18.998 > 20 79 F 0.25215627665904 0.27851526139180 0.70151352720555 18.998 > 20 80 F 0.25215627665904 0.77851526139180 0.70151352720555 18.998 > 20 81 F 0.24784372334096 0.02851526139180 0.45151352720555 18.998 > 21 82 F 0.24784372334096 0.52851526139180 0.45151352720555 18.998 > 21 83 F 0.24784372334096 0.02851526139180 0.95151352720555 18.998 > 21 84 F 0.24784372334096 0.52851526139180 0.95151352720555 18.998 > 21 85 F 0.25215627665904 0.47148473860820 0.20151352720555 18.998 > 22 86 F 0.25215627665904 0.97148473860820 0.20151352720555 18.998 > 22 87 F 0.25215627665904 0.47148473860820 0.70151352720555 18.998 > 22 88 F 0.25215627665904 0.97148473860820 0.70151352720555 18.998 > 22 89 F 0.75215627665904 0.27851526139180 0.04848647279445 18.998 > 23 90 F 0.75215627665904 0.77851526139180 0.04848647279445 18.998 > 23 91 F 0.75215627665904 0.27851526139180 0.54848647279445 18.998 > 23 92 F 0.75215627665904 0.77851526139180 0.54848647279445 18.998 > 23 93 F 0.24784372334096 0.22148473860820 0.45151352720555 18.998 > 24 94 F 0.24784372334096 0.72148473860820 0.45151352720555 18.998 > 24 95 F 0.24784372334096 0.22148473860820 0.95151352720555 18.998 > 24 96 F 0.24784372334096 0.72148473860820 0.95151352720555 18.998 > 24 *97 Al 0.13054740781460 0.45848295092044 0.04832565556561 26.982 > 25 98 Al 0.13054740781460 0.95848295092044 0.04832565556561 26.982 > 25 99 Al 0.13054740781460 0.45848295092044 0.54832565556561 26.982 > 25 100 Al 0.13054740781460 0.95848295092044 0.54832565556561 26.982 > 25 101 Al 0.36945259218540 0.04151704907956 0.29832565556561 26.982 > 26 102 Al 0.36945259218540 0.54151704907956 0.29832565556561 26.982 > 26 103 Al 0.36945259218540 0.04151704907956 0.79832565556561 26.982 > 26 104 Al 0.36945259218540 0.54151704907956 0.79832565556561 26.982 > 26 105 Al 0.86945259218540 0.20848295092044 0.45167434443439 26.982 > 27 106 Al 0.86945259218540 0.70848295092044 0.45167434443439 26.982 > 27 107 Al 0.86945259218540 0.20848295092044 0.95167434443439 26.982 > 27 108 Al 0.86945259218540 0.70848295092044 0.95167434443439 26.982 > 27 109 Al 0.63054740781460 0.29151704907956 0.20167434443439 26.982 > 28 110 Al 0.63054740781460 0.79151704907956 0.20167434443439 26.982 > 28 111 Al 0.63054740781460 0.29151704907956 0.70167434443439 26.982 > 28 112 Al 0.63054740781460 0.79151704907956 0.70167434443439 26.982 > 28 113 Al 0.36945259218540 0.20848295092044 0.29832565556561 26.982 > 29 114 Al 0.36945259218540 0.70848295092044 0.29832565556561 26.982 > 29 115 Al 0.36945259218540 0.20848295092044 0.79832565556561 26.982 > 29 116 Al 0.36945259218540 0.70848295092044 0.79832565556561 26.982 > 29 117 Al 0.13054740781460 0.29151704907956 0.04832565556561 26.982 > 30 118 Al 0.13054740781460 0.79151704907956 0.04832565556561 26.982 > 30 119 Al 0.13054740781460 0.29151704907956 0.54832565556561 26.982 > 30 120 Al 0.13054740781460 0.79151704907956 0.54832565556561 26.982 > 30 121 Al 0.63054740781460 0.45848295092044 0.20167434443439 26.982 > 31 122 Al 0.63054740781460 0.95848295092044 0.20167434443439 26.982 > 31 123 Al 0.63054740781460 0.45848295092044 0.70167434443439 26.982 > 31 124 Al 0.63054740781460 0.95848295092044 0.70167434443439 26.982 > 31 125 Al 0.86945259218540 0.04151704907956 0.45167434443439 26.982 > 32 126 Al 0.86945259218540 0.54151704907956 0.45167434443439 26.982 > 32 127 Al 0.86945259218540 0.04151704907956 0.95167434443439 26.982 > 32 128 Al 0.86945259218540 0.54151704907956 0.95167434443439 26.982 > 32 *129 Si 0.94002873246864 0.37500000000000 0.30130846877316 28.085 > 33 130 Si 0.94002873246864 0.87500000000000 0.30130846877316 28.085 > 33 131 Si 0.94002873246864 0.37500000000000 0.80130846877316 28.085 > 33 132 Si 0.94002873246864 0.87500000000000 0.80130846877316 28.085 > 33 133 Si 0.55997126753136 0.12500000000000 0.05130846877316 28.085 > 34 134 Si 0.55997126753136 0.62500000000000 0.05130846877316 28.085 > 34 135 Si 0.55997126753136 0.12500000000000 0.55130846877316 28.085 > 34 136 Si 0.55997126753136 0.62500000000000 0.55130846877316 28.085 > 34 137 Si 0.05997126753136 0.12500000000000 0.19869153122684 28.085 > 35 138 Si 0.05997126753136 0.62500000000000 0.19869153122684 28.085 > 35 139 Si 0.05997126753136 0.12500000000000 0.69869153122684 28.085 > 35 140 Si 0.05997126753136 0.62500000000000 0.69869153122684 28.085 > 35 141 Si 0.44002873246864 0.37500000000000 0.44869153122684 28.085 > 36 142 Si 0.44002873246864 0.87500000000000 0.44869153122684 28.085 > 36 143 Si 0.44002873246864 0.37500000000000 0.94869153122684 28.085 > 36 144 Si 0.44002873246864 0.87500000000000 0.94869153122684 28.085 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7234305 0.0000000 0.0000000 0.0000000 2.7472156 0.0000000 0.0000000 0.0000000 2.7121417 -------------------------- Born effective charges -------------------------- 1 O -2.4294999 0.0000000 -0.3715869 0.0000000 -1.5733092 -0.0000000 -0.3700935 -0.0000000 -1.2540952 2 O -1.5097348 -0.0504291 -0.2935823 -0.0261922 -2.0371546 0.4810822 -0.3034919 0.4472500 -1.7607462 3 O -1.5097348 0.0504291 0.2935823 0.0261922 -2.0371546 0.4810822 0.3034919 0.4472500 -1.7607462 4 O -1.5097348 0.0504291 -0.2935823 0.0261922 -2.0371546 -0.4810822 -0.3034919 -0.4472500 -1.7607462 5 O -2.4294999 0.0000000 0.3715869 0.0000000 -1.5733092 -0.0000000 0.3700935 -0.0000000 -1.2540952 6 O -1.5097348 -0.0504291 0.2935823 -0.0261922 -2.0371546 -0.4810822 0.3034919 -0.4472500 -1.7607462 7 O -2.4294999 0.0000000 0.3715869 0.0000000 -1.5733092 -0.0000000 0.3700935 -0.0000000 -1.2540952 8 O -2.4294999 0.0000000 -0.3715869 0.0000000 -1.5733092 -0.0000000 -0.3700935 -0.0000000 -1.2540952 9 O -1.5097348 -0.0504291 0.2935823 -0.0261922 -2.0371546 -0.4810822 0.3034919 -0.4472500 -1.7607462 10 O -1.5097348 -0.0504291 -0.2935823 -0.0261922 -2.0371546 0.4810822 -0.3034919 0.4472500 -1.7607462 11 O -1.5097348 0.0504291 0.2935823 0.0261922 -2.0371546 0.4810822 0.3034919 0.4472500 -1.7607462 12 O -1.5097348 0.0504291 -0.2935823 0.0261922 -2.0371546 -0.4810822 -0.3034919 -0.4472500 -1.7607462 13 O -1.5606758 0.0000000 -0.6234041 0.0000000 -1.6786872 -0.0000000 -0.6426328 -0.0000000 -2.1413892 14 O -1.5606758 0.0000000 0.6234041 0.0000000 -1.6786872 -0.0000000 0.6426328 -0.0000000 -2.1413892 15 O -1.5606758 0.0000000 -0.6234041 0.0000000 -1.6786872 -0.0000000 -0.6426328 -0.0000000 -2.1413892 16 O -1.5606758 0.0000000 0.6234041 0.0000000 -1.6786872 -0.0000000 0.6426328 -0.0000000 -2.1413892 17 F -1.1591211 -0.1552822 0.3264699 -0.1552711 -1.0193965 0.1905022 0.3216542 0.1789319 -1.1418657 18 F -1.1591211 -0.1552822 -0.3264699 -0.1552711 -1.0193965 -0.1905022 -0.3216542 -0.1789319 -1.1418657 19 F -1.1591211 0.1552822 -0.3264699 0.1552711 -1.0193965 0.1905022 -0.3216542 0.1789319 -1.1418657 20 F -1.1591211 0.1552822 -0.3264699 0.1552711 -1.0193965 0.1905022 -0.3216542 0.1789319 -1.1418657 21 F -1.1591211 -0.1552822 0.3264699 -0.1552711 -1.0193965 0.1905022 0.3216542 0.1789319 -1.1418657 22 F -1.1591211 -0.1552822 -0.3264699 -0.1552711 -1.0193965 -0.1905022 -0.3216542 -0.1789319 -1.1418657 23 F -1.1591211 0.1552822 0.3264699 0.1552711 -1.0193965 -0.1905022 0.3216542 -0.1789319 -1.1418657 24 F -1.1591211 0.1552822 0.3264699 0.1552711 -1.0193965 -0.1905022 0.3216542 -0.1789319 -1.1418657 25 Al 3.0189845 -0.0823667 0.0027798 -0.0409906 3.1087301 0.1727633 -0.0632661 -0.1044953 2.9457443 26 Al 3.0189845 -0.0823667 -0.0027798 -0.0409906 3.1087301 -0.1727633 0.0632661 0.1044953 2.9457443 27 Al 3.0189845 0.0823667 0.0027798 0.0409906 3.1087301 -0.1727633 -0.0632661 0.1044953 2.9457443 28 Al 3.0189845 0.0823667 -0.0027798 0.0409906 3.1087301 0.1727633 0.0632661 -0.1044953 2.9457443 29 Al 3.0189845 0.0823667 -0.0027798 0.0409906 3.1087301 0.1727633 0.0632661 -0.1044953 2.9457443 30 Al 3.0189845 0.0823667 0.0027798 0.0409906 3.1087301 -0.1727633 -0.0632661 0.1044953 2.9457443 31 Al 3.0189845 -0.0823667 -0.0027798 -0.0409906 3.1087301 -0.1727633 0.0632661 0.1044953 2.9457443 32 Al 3.0189845 -0.0823667 0.0027798 -0.0409906 3.1087301 0.1727633 -0.0632661 -0.1044953 2.9457443 33 Si 3.2899186 0.0000000 -0.0061569 0.0000000 3.1476384 -0.0000000 0.0775120 -0.0000000 3.3092195 34 Si 3.2899186 0.0000000 0.0061569 0.0000000 3.1476384 -0.0000000 -0.0775120 -0.0000000 3.3092195 35 Si 3.2899186 0.0000000 -0.0061569 0.0000000 3.1476384 -0.0000000 0.0775120 -0.0000000 3.3092195 36 Si 3.2899186 0.0000000 0.0061569 0.0000000 3.1476384 -0.0000000 -0.0775120 -0.0000000 3.3092195 ---------------------------------------------------------------------------- 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: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 172 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 6), data: (612, 12) @ (12, 6) |-- (112, 106), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 6), data: (612, 12) @ (12, 6) |-- (112, 106), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 12), data: (684, 24) @ (24, 12) |-- (184, 172), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 560 - Time: 1.361 Solver_block: 200 / 560 - Time: 1.093 Solver_block: 300 / 560 - Time: 2.230 Solver_block: 400 / 560 - Time: 2.775 Solver_block: 500 / 560 - Time: 1.290 Solver_block: 560 / 560 - Time: 0.819 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 10.030 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) 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: 3069 Number of blocks in projector: 3069 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: 684 Use submatrix version of eigh solver. (1) Block: 500 / 684 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 684 / 684 (1) 172 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 612 Use submatrix version of eigh solver. (1) Block: 500 / 612 (2) Block: 250 / 500 (2) 244 eigenvectors found. (2) Block: 500 / 500 (2) 244 eigenvectors found. (2) Complementary block size: 12 (2) Compute compressed projector. (2) Use standard solver. (2) 6 eigenvectors found. (1) 494 eigenvectors found. (1) Block: 612 / 612 (1) 106 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 387 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 387 Use standard eigh solver. Tree of FC basis block matrices: - (3069, 3027), data: False |-- (387, 381), data: True |-- (387, 381), data: True |-- (387, 381), data: True |-- (612, 606), data: False |-- (612, 6), data: (612, 12) @ (12, 6) |-- (112, 106), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (612, 606), data: False |-- (612, 6), data: (612, 12) @ (12, 6) |-- (112, 106), data: True |-- (500, 494), data: False |-- (500, 6), data: (500, 12) @ (12, 6) |-- (250, 244), data: True |-- (250, 244), data: True |-- (684, 672), data: False |-- (684, 12), data: (684, 24) @ (24, 12) |-- (184, 172), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) 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 21:28:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:28:21]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.421386030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.667021800000000 Atomic positions (fractional): 1 O 0.24471884239865 0.25000000000000 0.45802692425432 15.999 2 O 0.98923089122801 0.59185436049916 0.78983640200676 15.999 3 O 0.48923089122801 0.90814563950084 0.71016359799324 15.999 4 O 0.01076910877199 0.09185436049916 0.21016359799324 15.999 5 O 0.25528115760135 0.75000000000000 0.95802692425432 15.999 6 O 0.51076910877199 0.40814563950084 0.28983640200676 15.999 7 O 0.74471884239865 0.25000000000000 0.04197307574568 15.999 8 O 0.75528115760135 0.75000000000000 0.54197307574568 15.999 9 O 0.48923089122801 0.59185436049916 0.71016359799324 15.999 10 O 0.01076910877199 0.40814563950084 0.21016359799324 15.999 11 O 0.51076910877199 0.09185436049916 0.28983640200676 15.999 12 O 0.98923089122801 0.90814563950084 0.78983640200676 15.999 13 O 0.53192218667095 0.75000000000000 0.20448273497383 15.999 14 O 0.96807781332905 0.25000000000000 0.70448273497383 15.999 15 O 0.46807781332905 0.25000000000000 0.79551726502617 15.999 16 O 0.03192218667095 0.75000000000000 0.29551726502617 15.999 17 F 0.75215627665904 0.94296947721639 0.09697294558890 18.998 18 F 0.74784372334096 0.05703052278361 0.59697294558890 18.998 19 F 0.74784372334096 0.44296947721639 0.59697294558890 18.998 20 F 0.25215627665904 0.55703052278361 0.40302705441110 18.998 21 F 0.24784372334096 0.05703052278361 0.90302705441110 18.998 22 F 0.25215627665904 0.94296947721639 0.40302705441110 18.998 23 F 0.75215627665904 0.55703052278361 0.09697294558890 18.998 24 F 0.24784372334096 0.44296947721639 0.90302705441110 18.998 25 Al 0.13054740781460 0.91696590184088 0.09665131113121 26.982 26 Al 0.36945259218540 0.08303409815912 0.59665131113121 26.982 27 Al 0.86945259218540 0.41696590184088 0.90334868886879 26.982 28 Al 0.63054740781460 0.58303409815912 0.40334868886879 26.982 29 Al 0.36945259218540 0.41696590184088 0.59665131113121 26.982 30 Al 0.13054740781460 0.58303409815912 0.09665131113121 26.982 31 Al 0.63054740781460 0.91696590184088 0.40334868886879 26.982 32 Al 0.86945259218540 0.08303409815912 0.90334868886879 26.982 33 Si 0.94002873246864 0.75000000000000 0.60261693754632 28.085 34 Si 0.55997126753136 0.25000000000000 0.10261693754632 28.085 35 Si 0.05997126753136 0.25000000000000 0.39738306245368 28.085 36 Si 0.44002873246864 0.75000000000000 0.89738306245368 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.842772060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.334043599999999 Atomic positions (fractional): 1 O 0.24471884239865 0.12500000000000 0.22901346212716 15.999 > 1 2 O 0.24471884239865 0.62500000000000 0.22901346212716 15.999 > 1 3 O 0.24471884239865 0.12500000000000 0.72901346212716 15.999 > 1 4 O 0.24471884239865 0.62500000000000 0.72901346212716 15.999 > 1 5 O 0.98923089122801 0.29592718024958 0.39491820100338 15.999 > 5 6 O 0.98923089122801 0.79592718024958 0.39491820100338 15.999 > 5 7 O 0.98923089122801 0.29592718024958 0.89491820100338 15.999 > 5 8 O 0.98923089122801 0.79592718024958 0.89491820100338 15.999 > 5 9 O 0.48923089122801 0.45407281975042 0.35508179899662 15.999 > 9 10 O 0.48923089122801 0.95407281975042 0.35508179899662 15.999 > 9 11 O 0.48923089122801 0.45407281975042 0.85508179899662 15.999 > 9 12 O 0.48923089122801 0.95407281975042 0.85508179899662 15.999 > 9 13 O 0.01076910877199 0.04592718024958 0.10508179899662 15.999 > 13 14 O 0.01076910877199 0.54592718024958 0.10508179899662 15.999 > 13 15 O 0.01076910877199 0.04592718024958 0.60508179899662 15.999 > 13 16 O 0.01076910877199 0.54592718024958 0.60508179899662 15.999 > 13 17 O 0.25528115760135 0.37500000000000 0.47901346212716 15.999 > 17 18 O 0.25528115760135 0.87500000000000 0.47901346212716 15.999 > 17 19 O 0.25528115760135 0.37500000000000 0.97901346212716 15.999 > 17 20 O 0.25528115760135 0.87500000000000 0.97901346212716 15.999 > 17 21 O 0.51076910877199 0.20407281975042 0.14491820100338 15.999 > 21 22 O 0.51076910877199 0.70407281975042 0.14491820100338 15.999 > 21 23 O 0.51076910877199 0.20407281975042 0.64491820100338 15.999 > 21 24 O 0.51076910877199 0.70407281975042 0.64491820100338 15.999 > 21 25 O 0.74471884239865 0.12500000000000 0.02098653787284 15.999 > 25 26 O 0.74471884239865 0.62500000000000 0.02098653787284 15.999 > 25 27 O 0.74471884239865 0.12500000000000 0.52098653787284 15.999 > 25 28 O 0.74471884239865 0.62500000000000 0.52098653787284 15.999 > 25 29 O 0.75528115760135 0.37500000000000 0.27098653787284 15.999 > 29 30 O 0.75528115760135 0.87500000000000 0.27098653787284 15.999 > 29 31 O 0.75528115760135 0.37500000000000 0.77098653787284 15.999 > 29 32 O 0.75528115760135 0.87500000000000 0.77098653787284 15.999 > 29 33 O 0.48923089122801 0.29592718024958 0.35508179899662 15.999 > 33 34 O 0.48923089122801 0.79592718024958 0.35508179899662 15.999 > 33 35 O 0.48923089122801 0.29592718024958 0.85508179899662 15.999 > 33 36 O 0.48923089122801 0.79592718024958 0.85508179899662 15.999 > 33 37 O 0.01076910877199 0.20407281975042 0.10508179899662 15.999 > 37 38 O 0.01076910877199 0.70407281975042 0.10508179899662 15.999 > 37 39 O 0.01076910877199 0.20407281975042 0.60508179899662 15.999 > 37 40 O 0.01076910877199 0.70407281975042 0.60508179899662 15.999 > 37 41 O 0.51076910877199 0.04592718024958 0.14491820100338 15.999 > 41 42 O 0.51076910877199 0.54592718024958 0.14491820100338 15.999 > 41 43 O 0.51076910877199 0.04592718024958 0.64491820100338 15.999 > 41 44 O 0.51076910877199 0.54592718024958 0.64491820100338 15.999 > 41 45 O 0.98923089122801 0.45407281975042 0.39491820100338 15.999 > 45 46 O 0.98923089122801 0.95407281975042 0.39491820100338 15.999 > 45 47 O 0.98923089122801 0.45407281975042 0.89491820100338 15.999 > 45 48 O 0.98923089122801 0.95407281975042 0.89491820100338 15.999 > 45 49 O 0.53192218667095 0.37500000000000 0.10224136748691 15.999 > 49 50 O 0.53192218667095 0.87500000000000 0.10224136748691 15.999 > 49 51 O 0.53192218667095 0.37500000000000 0.60224136748691 15.999 > 49 52 O 0.53192218667095 0.87500000000000 0.60224136748691 15.999 > 49 53 O 0.96807781332905 0.12500000000000 0.35224136748691 15.999 > 53 54 O 0.96807781332905 0.62500000000000 0.35224136748691 15.999 > 53 55 O 0.96807781332905 0.12500000000000 0.85224136748691 15.999 > 53 56 O 0.96807781332905 0.62500000000000 0.85224136748691 15.999 > 53 57 O 0.46807781332905 0.12500000000000 0.39775863251309 15.999 > 57 58 O 0.46807781332905 0.62500000000000 0.39775863251309 15.999 > 57 59 O 0.46807781332905 0.12500000000000 0.89775863251309 15.999 > 57 60 O 0.46807781332905 0.62500000000000 0.89775863251309 15.999 > 57 61 O 0.03192218667095 0.37500000000000 0.14775863251309 15.999 > 61 62 O 0.03192218667095 0.87500000000000 0.14775863251309 15.999 > 61 63 O 0.03192218667095 0.37500000000000 0.64775863251309 15.999 > 61 64 O 0.03192218667095 0.87500000000000 0.64775863251309 15.999 > 61 65 F 0.75215627665904 0.47148473860820 0.04848647279445 18.998 > 65 66 F 0.75215627665904 0.97148473860820 0.04848647279445 18.998 > 65 67 F 0.75215627665904 0.47148473860820 0.54848647279445 18.998 > 65 68 F 0.75215627665904 0.97148473860820 0.54848647279445 18.998 > 65 69 F 0.74784372334096 0.02851526139180 0.29848647279445 18.998 > 69 70 F 0.74784372334096 0.52851526139180 0.29848647279445 18.998 > 69 71 F 0.74784372334096 0.02851526139180 0.79848647279445 18.998 > 69 72 F 0.74784372334096 0.52851526139180 0.79848647279445 18.998 > 69 73 F 0.74784372334096 0.22148473860820 0.29848647279445 18.998 > 73 74 F 0.74784372334096 0.72148473860820 0.29848647279445 18.998 > 73 75 F 0.74784372334096 0.22148473860820 0.79848647279445 18.998 > 73 76 F 0.74784372334096 0.72148473860820 0.79848647279445 18.998 > 73 77 F 0.25215627665904 0.27851526139180 0.20151352720555 18.998 > 77 78 F 0.25215627665904 0.77851526139180 0.20151352720555 18.998 > 77 79 F 0.25215627665904 0.27851526139180 0.70151352720555 18.998 > 77 80 F 0.25215627665904 0.77851526139180 0.70151352720555 18.998 > 77 81 F 0.24784372334096 0.02851526139180 0.45151352720555 18.998 > 81 82 F 0.24784372334096 0.52851526139180 0.45151352720555 18.998 > 81 83 F 0.24784372334096 0.02851526139180 0.95151352720555 18.998 > 81 84 F 0.24784372334096 0.52851526139180 0.95151352720555 18.998 > 81 85 F 0.25215627665904 0.47148473860820 0.20151352720555 18.998 > 85 86 F 0.25215627665904 0.97148473860820 0.20151352720555 18.998 > 85 87 F 0.25215627665904 0.47148473860820 0.70151352720555 18.998 > 85 88 F 0.25215627665904 0.97148473860820 0.70151352720555 18.998 > 85 89 F 0.75215627665904 0.27851526139180 0.04848647279445 18.998 > 89 90 F 0.75215627665904 0.77851526139180 0.04848647279445 18.998 > 89 91 F 0.75215627665904 0.27851526139180 0.54848647279445 18.998 > 89 92 F 0.75215627665904 0.77851526139180 0.54848647279445 18.998 > 89 93 F 0.24784372334096 0.22148473860820 0.45151352720555 18.998 > 93 94 F 0.24784372334096 0.72148473860820 0.45151352720555 18.998 > 93 95 F 0.24784372334096 0.22148473860820 0.95151352720555 18.998 > 93 96 F 0.24784372334096 0.72148473860820 0.95151352720555 18.998 > 93 97 Al 0.13054740781460 0.45848295092044 0.04832565556561 26.982 > 97 98 Al 0.13054740781460 0.95848295092044 0.04832565556561 26.982 > 97 99 Al 0.13054740781460 0.45848295092044 0.54832565556561 26.982 > 97 100 Al 0.13054740781460 0.95848295092044 0.54832565556561 26.982 > 97 101 Al 0.36945259218540 0.04151704907956 0.29832565556561 26.982 > 101 102 Al 0.36945259218540 0.54151704907956 0.29832565556561 26.982 > 101 103 Al 0.36945259218540 0.04151704907956 0.79832565556561 26.982 > 101 104 Al 0.36945259218540 0.54151704907956 0.79832565556561 26.982 > 101 105 Al 0.86945259218540 0.20848295092044 0.45167434443439 26.982 > 105 106 Al 0.86945259218540 0.70848295092044 0.45167434443439 26.982 > 105 107 Al 0.86945259218540 0.20848295092044 0.95167434443439 26.982 > 105 108 Al 0.86945259218540 0.70848295092044 0.95167434443439 26.982 > 105 109 Al 0.63054740781460 0.29151704907956 0.20167434443439 26.982 > 109 110 Al 0.63054740781460 0.79151704907956 0.20167434443439 26.982 > 109 111 Al 0.63054740781460 0.29151704907956 0.70167434443439 26.982 > 109 112 Al 0.63054740781460 0.79151704907956 0.70167434443439 26.982 > 109 113 Al 0.36945259218540 0.20848295092044 0.29832565556561 26.982 > 113 114 Al 0.36945259218540 0.70848295092044 0.29832565556561 26.982 > 113 115 Al 0.36945259218540 0.20848295092044 0.79832565556561 26.982 > 113 116 Al 0.36945259218540 0.70848295092044 0.79832565556561 26.982 > 113 117 Al 0.13054740781460 0.29151704907956 0.04832565556561 26.982 > 117 118 Al 0.13054740781460 0.79151704907956 0.04832565556561 26.982 > 117 119 Al 0.13054740781460 0.29151704907956 0.54832565556561 26.982 > 117 120 Al 0.13054740781460 0.79151704907956 0.54832565556561 26.982 > 117 121 Al 0.63054740781460 0.45848295092044 0.20167434443439 26.982 > 121 122 Al 0.63054740781460 0.95848295092044 0.20167434443439 26.982 > 121 123 Al 0.63054740781460 0.45848295092044 0.70167434443439 26.982 > 121 124 Al 0.63054740781460 0.95848295092044 0.70167434443439 26.982 > 121 125 Al 0.86945259218540 0.04151704907956 0.45167434443439 26.982 > 125 126 Al 0.86945259218540 0.54151704907956 0.45167434443439 26.982 > 125 127 Al 0.86945259218540 0.04151704907956 0.95167434443439 26.982 > 125 128 Al 0.86945259218540 0.54151704907956 0.95167434443439 26.982 > 125 129 Si 0.94002873246864 0.37500000000000 0.30130846877316 28.085 > 129 130 Si 0.94002873246864 0.87500000000000 0.30130846877316 28.085 > 129 131 Si 0.94002873246864 0.37500000000000 0.80130846877316 28.085 > 129 132 Si 0.94002873246864 0.87500000000000 0.80130846877316 28.085 > 129 133 Si 0.55997126753136 0.12500000000000 0.05130846877316 28.085 > 133 134 Si 0.55997126753136 0.62500000000000 0.05130846877316 28.085 > 133 135 Si 0.55997126753136 0.12500000000000 0.55130846877316 28.085 > 133 136 Si 0.55997126753136 0.62500000000000 0.55130846877316 28.085 > 133 137 Si 0.05997126753136 0.12500000000000 0.19869153122684 28.085 > 137 138 Si 0.05997126753136 0.62500000000000 0.19869153122684 28.085 > 137 139 Si 0.05997126753136 0.12500000000000 0.69869153122684 28.085 > 137 140 Si 0.05997126753136 0.62500000000000 0.69869153122684 28.085 > 137 141 Si 0.44002873246864 0.37500000000000 0.44869153122684 28.085 > 141 142 Si 0.44002873246864 0.87500000000000 0.44869153122684 28.085 > 141 143 Si 0.44002873246864 0.37500000000000 0.94869153122684 28.085 > 141 144 Si 0.44002873246864 0.87500000000000 0.94869153122684 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7234305 0.0000000 0.0000000 0.0000000 2.7472156 0.0000000 0.0000000 0.0000000 2.7121417 -------------------------- Born effective charges -------------------------- 1 O -2.4294999 0.0000000 -0.3715869 0.0000000 -1.5733092 -0.0000000 -0.3700935 -0.0000000 -1.2540952 2 O -1.5097348 -0.0504291 -0.2935823 -0.0261922 -2.0371546 0.4810822 -0.3034919 0.4472500 -1.7607462 3 O -1.5097348 0.0504291 0.2935823 0.0261922 -2.0371546 0.4810822 0.3034919 0.4472500 -1.7607462 4 O -1.5097348 0.0504291 -0.2935823 0.0261922 -2.0371546 -0.4810822 -0.3034919 -0.4472500 -1.7607462 5 O -2.4294999 0.0000000 0.3715869 0.0000000 -1.5733092 -0.0000000 0.3700935 -0.0000000 -1.2540952 6 O -1.5097348 -0.0504291 0.2935823 -0.0261922 -2.0371546 -0.4810822 0.3034919 -0.4472500 -1.7607462 7 O -2.4294999 0.0000000 0.3715869 0.0000000 -1.5733092 -0.0000000 0.3700935 -0.0000000 -1.2540952 8 O -2.4294999 0.0000000 -0.3715869 0.0000000 -1.5733092 -0.0000000 -0.3700935 -0.0000000 -1.2540952 9 O -1.5097348 -0.0504291 0.2935823 -0.0261922 -2.0371546 -0.4810822 0.3034919 -0.4472500 -1.7607462 10 O -1.5097348 -0.0504291 -0.2935823 -0.0261922 -2.0371546 0.4810822 -0.3034919 0.4472500 -1.7607462 11 O -1.5097348 0.0504291 0.2935823 0.0261922 -2.0371546 0.4810822 0.3034919 0.4472500 -1.7607462 12 O -1.5097348 0.0504291 -0.2935823 0.0261922 -2.0371546 -0.4810822 -0.3034919 -0.4472500 -1.7607462 13 O -1.5606758 0.0000000 -0.6234041 0.0000000 -1.6786872 -0.0000000 -0.6426328 -0.0000000 -2.1413892 14 O -1.5606758 0.0000000 0.6234041 0.0000000 -1.6786872 -0.0000000 0.6426328 -0.0000000 -2.1413892 15 O -1.5606758 0.0000000 -0.6234041 0.0000000 -1.6786872 -0.0000000 -0.6426328 -0.0000000 -2.1413892 16 O -1.5606758 0.0000000 0.6234041 0.0000000 -1.6786872 -0.0000000 0.6426328 -0.0000000 -2.1413892 17 F -1.1591211 -0.1552822 0.3264699 -0.1552711 -1.0193965 0.1905022 0.3216542 0.1789319 -1.1418657 18 F -1.1591211 -0.1552822 -0.3264699 -0.1552711 -1.0193965 -0.1905022 -0.3216542 -0.1789319 -1.1418657 19 F -1.1591211 0.1552822 -0.3264699 0.1552711 -1.0193965 0.1905022 -0.3216542 0.1789319 -1.1418657 20 F -1.1591211 0.1552822 -0.3264699 0.1552711 -1.0193965 0.1905022 -0.3216542 0.1789319 -1.1418657 21 F -1.1591211 -0.1552822 0.3264699 -0.1552711 -1.0193965 0.1905022 0.3216542 0.1789319 -1.1418657 22 F -1.1591211 -0.1552822 -0.3264699 -0.1552711 -1.0193965 -0.1905022 -0.3216542 -0.1789319 -1.1418657 23 F -1.1591211 0.1552822 0.3264699 0.1552711 -1.0193965 -0.1905022 0.3216542 -0.1789319 -1.1418657 24 F -1.1591211 0.1552822 0.3264699 0.1552711 -1.0193965 -0.1905022 0.3216542 -0.1789319 -1.1418657 25 Al 3.0189845 -0.0823667 0.0027798 -0.0409906 3.1087301 0.1727633 -0.0632661 -0.1044953 2.9457443 26 Al 3.0189845 -0.0823667 -0.0027798 -0.0409906 3.1087301 -0.1727633 0.0632661 0.1044953 2.9457443 27 Al 3.0189845 0.0823667 0.0027798 0.0409906 3.1087301 -0.1727633 -0.0632661 0.1044953 2.9457443 28 Al 3.0189845 0.0823667 -0.0027798 0.0409906 3.1087301 0.1727633 0.0632661 -0.1044953 2.9457443 29 Al 3.0189845 0.0823667 -0.0027798 0.0409906 3.1087301 0.1727633 0.0632661 -0.1044953 2.9457443 30 Al 3.0189845 0.0823667 0.0027798 0.0409906 3.1087301 -0.1727633 -0.0632661 0.1044953 2.9457443 31 Al 3.0189845 -0.0823667 -0.0027798 -0.0409906 3.1087301 -0.1727633 0.0632661 0.1044953 2.9457443 32 Al 3.0189845 -0.0823667 0.0027798 -0.0409906 3.1087301 0.1727633 -0.0632661 -0.1044953 2.9457443 33 Si 3.2899186 0.0000000 -0.0061569 0.0000000 3.1476384 -0.0000000 0.0775120 -0.0000000 3.3092195 34 Si 3.2899186 0.0000000 0.0061569 0.0000000 3.1476384 -0.0000000 -0.0775120 -0.0000000 3.3092195 35 Si 3.2899186 0.0000000 -0.0061569 0.0000000 3.1476384 -0.0000000 0.0775120 -0.0000000 3.3092195 36 Si 3.2899186 0.0000000 0.0061569 0.0000000 3.1476384 -0.0000000 -0.0775120 -0.0000000 3.3092195 ---------------------------------------------------------------------------- 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[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 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[ 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: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xz) 0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:29:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:29:04]------------------------- 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: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.421386030000001 0.000000000000000 c 0.000000000000000 0.000000000000000 4.667021800000000 Atomic positions (fractional): 1 O 0.24471884239865 0.25000000000000 0.45802692425432 15.999 2 O 0.98923089122801 0.59185436049916 0.78983640200676 15.999 3 O 0.48923089122801 0.90814563950084 0.71016359799324 15.999 4 O 0.01076910877199 0.09185436049916 0.21016359799324 15.999 5 O 0.25528115760135 0.75000000000000 0.95802692425432 15.999 6 O 0.51076910877199 0.40814563950084 0.28983640200676 15.999 7 O 0.74471884239865 0.25000000000000 0.04197307574568 15.999 8 O 0.75528115760135 0.75000000000000 0.54197307574568 15.999 9 O 0.48923089122801 0.59185436049916 0.71016359799324 15.999 10 O 0.01076910877199 0.40814563950084 0.21016359799324 15.999 11 O 0.51076910877199 0.09185436049916 0.28983640200676 15.999 12 O 0.98923089122801 0.90814563950084 0.78983640200676 15.999 13 O 0.53192218667095 0.75000000000000 0.20448273497383 15.999 14 O 0.96807781332905 0.25000000000000 0.70448273497383 15.999 15 O 0.46807781332905 0.25000000000000 0.79551726502617 15.999 16 O 0.03192218667095 0.75000000000000 0.29551726502617 15.999 17 F 0.75215627665904 0.94296947721639 0.09697294558890 18.998 18 F 0.74784372334096 0.05703052278361 0.59697294558890 18.998 19 F 0.74784372334096 0.44296947721639 0.59697294558890 18.998 20 F 0.25215627665904 0.55703052278361 0.40302705441110 18.998 21 F 0.24784372334096 0.05703052278361 0.90302705441110 18.998 22 F 0.25215627665904 0.94296947721639 0.40302705441110 18.998 23 F 0.75215627665904 0.55703052278361 0.09697294558890 18.998 24 F 0.24784372334096 0.44296947721639 0.90302705441110 18.998 25 Al 0.13054740781460 0.91696590184088 0.09665131113121 26.982 26 Al 0.36945259218540 0.08303409815912 0.59665131113121 26.982 27 Al 0.86945259218540 0.41696590184088 0.90334868886879 26.982 28 Al 0.63054740781460 0.58303409815912 0.40334868886879 26.982 29 Al 0.36945259218540 0.41696590184088 0.59665131113121 26.982 30 Al 0.13054740781460 0.58303409815912 0.09665131113121 26.982 31 Al 0.63054740781460 0.91696590184088 0.40334868886879 26.982 32 Al 0.86945259218540 0.08303409815912 0.90334868886879 26.982 33 Si 0.94002873246864 0.75000000000000 0.60261693754632 28.085 34 Si 0.55997126753136 0.25000000000000 0.10261693754632 28.085 35 Si 0.05997126753136 0.25000000000000 0.39738306245368 28.085 36 Si 0.44002873246864 0.75000000000000 0.89738306245368 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.823145759999999 0.000000000000000 0.000000000000000 b 0.000000000000000 16.842772060000001 0.000000000000000 c 0.000000000000000 0.000000000000000 9.334043599999999 Atomic positions (fractional): 1 O 0.24471884239865 0.12500000000000 0.22901346212716 15.999 > 1 2 O 0.24471884239865 0.62500000000000 0.22901346212716 15.999 > 1 3 O 0.24471884239865 0.12500000000000 0.72901346212716 15.999 > 1 4 O 0.24471884239865 0.62500000000000 0.72901346212716 15.999 > 1 5 O 0.98923089122801 0.29592718024958 0.39491820100338 15.999 > 5 6 O 0.98923089122801 0.79592718024958 0.39491820100338 15.999 > 5 7 O 0.98923089122801 0.29592718024958 0.89491820100338 15.999 > 5 8 O 0.98923089122801 0.79592718024958 0.89491820100338 15.999 > 5 9 O 0.48923089122801 0.45407281975042 0.35508179899662 15.999 > 9 10 O 0.48923089122801 0.95407281975042 0.35508179899662 15.999 > 9 11 O 0.48923089122801 0.45407281975042 0.85508179899662 15.999 > 9 12 O 0.48923089122801 0.95407281975042 0.85508179899662 15.999 > 9 13 O 0.01076910877199 0.04592718024958 0.10508179899662 15.999 > 13 14 O 0.01076910877199 0.54592718024958 0.10508179899662 15.999 > 13 15 O 0.01076910877199 0.04592718024958 0.60508179899662 15.999 > 13 16 O 0.01076910877199 0.54592718024958 0.60508179899662 15.999 > 13 17 O 0.25528115760135 0.37500000000000 0.47901346212716 15.999 > 17 18 O 0.25528115760135 0.87500000000000 0.47901346212716 15.999 > 17 19 O 0.25528115760135 0.37500000000000 0.97901346212716 15.999 > 17 20 O 0.25528115760135 0.87500000000000 0.97901346212716 15.999 > 17 21 O 0.51076910877199 0.20407281975042 0.14491820100338 15.999 > 21 22 O 0.51076910877199 0.70407281975042 0.14491820100338 15.999 > 21 23 O 0.51076910877199 0.20407281975042 0.64491820100338 15.999 > 21 24 O 0.51076910877199 0.70407281975042 0.64491820100338 15.999 > 21 25 O 0.74471884239865 0.12500000000000 0.02098653787284 15.999 > 25 26 O 0.74471884239865 0.62500000000000 0.02098653787284 15.999 > 25 27 O 0.74471884239865 0.12500000000000 0.52098653787284 15.999 > 25 28 O 0.74471884239865 0.62500000000000 0.52098653787284 15.999 > 25 29 O 0.75528115760135 0.37500000000000 0.27098653787284 15.999 > 29 30 O 0.75528115760135 0.87500000000000 0.27098653787284 15.999 > 29 31 O 0.75528115760135 0.37500000000000 0.77098653787284 15.999 > 29 32 O 0.75528115760135 0.87500000000000 0.77098653787284 15.999 > 29 33 O 0.48923089122801 0.29592718024958 0.35508179899662 15.999 > 33 34 O 0.48923089122801 0.79592718024958 0.35508179899662 15.999 > 33 35 O 0.48923089122801 0.29592718024958 0.85508179899662 15.999 > 33 36 O 0.48923089122801 0.79592718024958 0.85508179899662 15.999 > 33 37 O 0.01076910877199 0.20407281975042 0.10508179899662 15.999 > 37 38 O 0.01076910877199 0.70407281975042 0.10508179899662 15.999 > 37 39 O 0.01076910877199 0.20407281975042 0.60508179899662 15.999 > 37 40 O 0.01076910877199 0.70407281975042 0.60508179899662 15.999 > 37 41 O 0.51076910877199 0.04592718024958 0.14491820100338 15.999 > 41 42 O 0.51076910877199 0.54592718024958 0.14491820100338 15.999 > 41 43 O 0.51076910877199 0.04592718024958 0.64491820100338 15.999 > 41 44 O 0.51076910877199 0.54592718024958 0.64491820100338 15.999 > 41 45 O 0.98923089122801 0.45407281975042 0.39491820100338 15.999 > 45 46 O 0.98923089122801 0.95407281975042 0.39491820100338 15.999 > 45 47 O 0.98923089122801 0.45407281975042 0.89491820100338 15.999 > 45 48 O 0.98923089122801 0.95407281975042 0.89491820100338 15.999 > 45 49 O 0.53192218667095 0.37500000000000 0.10224136748691 15.999 > 49 50 O 0.53192218667095 0.87500000000000 0.10224136748691 15.999 > 49 51 O 0.53192218667095 0.37500000000000 0.60224136748691 15.999 > 49 52 O 0.53192218667095 0.87500000000000 0.60224136748691 15.999 > 49 53 O 0.96807781332905 0.12500000000000 0.35224136748691 15.999 > 53 54 O 0.96807781332905 0.62500000000000 0.35224136748691 15.999 > 53 55 O 0.96807781332905 0.12500000000000 0.85224136748691 15.999 > 53 56 O 0.96807781332905 0.62500000000000 0.85224136748691 15.999 > 53 57 O 0.46807781332905 0.12500000000000 0.39775863251309 15.999 > 57 58 O 0.46807781332905 0.62500000000000 0.39775863251309 15.999 > 57 59 O 0.46807781332905 0.12500000000000 0.89775863251309 15.999 > 57 60 O 0.46807781332905 0.62500000000000 0.89775863251309 15.999 > 57 61 O 0.03192218667095 0.37500000000000 0.14775863251309 15.999 > 61 62 O 0.03192218667095 0.87500000000000 0.14775863251309 15.999 > 61 63 O 0.03192218667095 0.37500000000000 0.64775863251309 15.999 > 61 64 O 0.03192218667095 0.87500000000000 0.64775863251309 15.999 > 61 65 F 0.75215627665904 0.47148473860820 0.04848647279445 18.998 > 65 66 F 0.75215627665904 0.97148473860820 0.04848647279445 18.998 > 65 67 F 0.75215627665904 0.47148473860820 0.54848647279445 18.998 > 65 68 F 0.75215627665904 0.97148473860820 0.54848647279445 18.998 > 65 69 F 0.74784372334096 0.02851526139180 0.29848647279445 18.998 > 69 70 F 0.74784372334096 0.52851526139180 0.29848647279445 18.998 > 69 71 F 0.74784372334096 0.02851526139180 0.79848647279445 18.998 > 69 72 F 0.74784372334096 0.52851526139180 0.79848647279445 18.998 > 69 73 F 0.74784372334096 0.22148473860820 0.29848647279445 18.998 > 73 74 F 0.74784372334096 0.72148473860820 0.29848647279445 18.998 > 73 75 F 0.74784372334096 0.22148473860820 0.79848647279445 18.998 > 73 76 F 0.74784372334096 0.72148473860820 0.79848647279445 18.998 > 73 77 F 0.25215627665904 0.27851526139180 0.20151352720555 18.998 > 77 78 F 0.25215627665904 0.77851526139180 0.20151352720555 18.998 > 77 79 F 0.25215627665904 0.27851526139180 0.70151352720555 18.998 > 77 80 F 0.25215627665904 0.77851526139180 0.70151352720555 18.998 > 77 81 F 0.24784372334096 0.02851526139180 0.45151352720555 18.998 > 81 82 F 0.24784372334096 0.52851526139180 0.45151352720555 18.998 > 81 83 F 0.24784372334096 0.02851526139180 0.95151352720555 18.998 > 81 84 F 0.24784372334096 0.52851526139180 0.95151352720555 18.998 > 81 85 F 0.25215627665904 0.47148473860820 0.20151352720555 18.998 > 85 86 F 0.25215627665904 0.97148473860820 0.20151352720555 18.998 > 85 87 F 0.25215627665904 0.47148473860820 0.70151352720555 18.998 > 85 88 F 0.25215627665904 0.97148473860820 0.70151352720555 18.998 > 85 89 F 0.75215627665904 0.27851526139180 0.04848647279445 18.998 > 89 90 F 0.75215627665904 0.77851526139180 0.04848647279445 18.998 > 89 91 F 0.75215627665904 0.27851526139180 0.54848647279445 18.998 > 89 92 F 0.75215627665904 0.77851526139180 0.54848647279445 18.998 > 89 93 F 0.24784372334096 0.22148473860820 0.45151352720555 18.998 > 93 94 F 0.24784372334096 0.72148473860820 0.45151352720555 18.998 > 93 95 F 0.24784372334096 0.22148473860820 0.95151352720555 18.998 > 93 96 F 0.24784372334096 0.72148473860820 0.95151352720555 18.998 > 93 97 Al 0.13054740781460 0.45848295092044 0.04832565556561 26.982 > 97 98 Al 0.13054740781460 0.95848295092044 0.04832565556561 26.982 > 97 99 Al 0.13054740781460 0.45848295092044 0.54832565556561 26.982 > 97 100 Al 0.13054740781460 0.95848295092044 0.54832565556561 26.982 > 97 101 Al 0.36945259218540 0.04151704907956 0.29832565556561 26.982 > 101 102 Al 0.36945259218540 0.54151704907956 0.29832565556561 26.982 > 101 103 Al 0.36945259218540 0.04151704907956 0.79832565556561 26.982 > 101 104 Al 0.36945259218540 0.54151704907956 0.79832565556561 26.982 > 101 105 Al 0.86945259218540 0.20848295092044 0.45167434443439 26.982 > 105 106 Al 0.86945259218540 0.70848295092044 0.45167434443439 26.982 > 105 107 Al 0.86945259218540 0.20848295092044 0.95167434443439 26.982 > 105 108 Al 0.86945259218540 0.70848295092044 0.95167434443439 26.982 > 105 109 Al 0.63054740781460 0.29151704907956 0.20167434443439 26.982 > 109 110 Al 0.63054740781460 0.79151704907956 0.20167434443439 26.982 > 109 111 Al 0.63054740781460 0.29151704907956 0.70167434443439 26.982 > 109 112 Al 0.63054740781460 0.79151704907956 0.70167434443439 26.982 > 109 113 Al 0.36945259218540 0.20848295092044 0.29832565556561 26.982 > 113 114 Al 0.36945259218540 0.70848295092044 0.29832565556561 26.982 > 113 115 Al 0.36945259218540 0.20848295092044 0.79832565556561 26.982 > 113 116 Al 0.36945259218540 0.70848295092044 0.79832565556561 26.982 > 113 117 Al 0.13054740781460 0.29151704907956 0.04832565556561 26.982 > 117 118 Al 0.13054740781460 0.79151704907956 0.04832565556561 26.982 > 117 119 Al 0.13054740781460 0.29151704907956 0.54832565556561 26.982 > 117 120 Al 0.13054740781460 0.79151704907956 0.54832565556561 26.982 > 117 121 Al 0.63054740781460 0.45848295092044 0.20167434443439 26.982 > 121 122 Al 0.63054740781460 0.95848295092044 0.20167434443439 26.982 > 121 123 Al 0.63054740781460 0.45848295092044 0.70167434443439 26.982 > 121 124 Al 0.63054740781460 0.95848295092044 0.70167434443439 26.982 > 121 125 Al 0.86945259218540 0.04151704907956 0.45167434443439 26.982 > 125 126 Al 0.86945259218540 0.54151704907956 0.45167434443439 26.982 > 125 127 Al 0.86945259218540 0.04151704907956 0.95167434443439 26.982 > 125 128 Al 0.86945259218540 0.54151704907956 0.95167434443439 26.982 > 125 129 Si 0.94002873246864 0.37500000000000 0.30130846877316 28.085 > 129 130 Si 0.94002873246864 0.87500000000000 0.30130846877316 28.085 > 129 131 Si 0.94002873246864 0.37500000000000 0.80130846877316 28.085 > 129 132 Si 0.94002873246864 0.87500000000000 0.80130846877316 28.085 > 129 133 Si 0.55997126753136 0.12500000000000 0.05130846877316 28.085 > 133 134 Si 0.55997126753136 0.62500000000000 0.05130846877316 28.085 > 133 135 Si 0.55997126753136 0.12500000000000 0.55130846877316 28.085 > 133 136 Si 0.55997126753136 0.62500000000000 0.55130846877316 28.085 > 133 137 Si 0.05997126753136 0.12500000000000 0.19869153122684 28.085 > 137 138 Si 0.05997126753136 0.62500000000000 0.19869153122684 28.085 > 137 139 Si 0.05997126753136 0.12500000000000 0.69869153122684 28.085 > 137 140 Si 0.05997126753136 0.62500000000000 0.69869153122684 28.085 > 137 141 Si 0.44002873246864 0.37500000000000 0.44869153122684 28.085 > 141 142 Si 0.44002873246864 0.87500000000000 0.44869153122684 28.085 > 141 143 Si 0.44002873246864 0.37500000000000 0.94869153122684 28.085 > 141 144 Si 0.44002873246864 0.87500000000000 0.94869153122684 28.085 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7234305 0.0000000 0.0000000 0.0000000 2.7472156 0.0000000 0.0000000 0.0000000 2.7121417 -------------------------- Born effective charges -------------------------- 1 O -2.4294999 0.0000000 -0.3715869 0.0000000 -1.5733092 -0.0000000 -0.3700935 -0.0000000 -1.2540952 2 O -1.5097348 -0.0504291 -0.2935823 -0.0261922 -2.0371546 0.4810822 -0.3034919 0.4472500 -1.7607462 3 O -1.5097348 0.0504291 0.2935823 0.0261922 -2.0371546 0.4810822 0.3034919 0.4472500 -1.7607462 4 O -1.5097348 0.0504291 -0.2935823 0.0261922 -2.0371546 -0.4810822 -0.3034919 -0.4472500 -1.7607462 5 O -2.4294999 0.0000000 0.3715869 0.0000000 -1.5733092 -0.0000000 0.3700935 -0.0000000 -1.2540952 6 O -1.5097348 -0.0504291 0.2935823 -0.0261922 -2.0371546 -0.4810822 0.3034919 -0.4472500 -1.7607462 7 O -2.4294999 0.0000000 0.3715869 0.0000000 -1.5733092 -0.0000000 0.3700935 -0.0000000 -1.2540952 8 O -2.4294999 0.0000000 -0.3715869 0.0000000 -1.5733092 -0.0000000 -0.3700935 -0.0000000 -1.2540952 9 O -1.5097348 -0.0504291 0.2935823 -0.0261922 -2.0371546 -0.4810822 0.3034919 -0.4472500 -1.7607462 10 O -1.5097348 -0.0504291 -0.2935823 -0.0261922 -2.0371546 0.4810822 -0.3034919 0.4472500 -1.7607462 11 O -1.5097348 0.0504291 0.2935823 0.0261922 -2.0371546 0.4810822 0.3034919 0.4472500 -1.7607462 12 O -1.5097348 0.0504291 -0.2935823 0.0261922 -2.0371546 -0.4810822 -0.3034919 -0.4472500 -1.7607462 13 O -1.5606758 0.0000000 -0.6234041 0.0000000 -1.6786872 -0.0000000 -0.6426328 -0.0000000 -2.1413892 14 O -1.5606758 0.0000000 0.6234041 0.0000000 -1.6786872 -0.0000000 0.6426328 -0.0000000 -2.1413892 15 O -1.5606758 0.0000000 -0.6234041 0.0000000 -1.6786872 -0.0000000 -0.6426328 -0.0000000 -2.1413892 16 O -1.5606758 0.0000000 0.6234041 0.0000000 -1.6786872 -0.0000000 0.6426328 -0.0000000 -2.1413892 17 F -1.1591211 -0.1552822 0.3264699 -0.1552711 -1.0193965 0.1905022 0.3216542 0.1789319 -1.1418657 18 F -1.1591211 -0.1552822 -0.3264699 -0.1552711 -1.0193965 -0.1905022 -0.3216542 -0.1789319 -1.1418657 19 F -1.1591211 0.1552822 -0.3264699 0.1552711 -1.0193965 0.1905022 -0.3216542 0.1789319 -1.1418657 20 F -1.1591211 0.1552822 -0.3264699 0.1552711 -1.0193965 0.1905022 -0.3216542 0.1789319 -1.1418657 21 F -1.1591211 -0.1552822 0.3264699 -0.1552711 -1.0193965 0.1905022 0.3216542 0.1789319 -1.1418657 22 F -1.1591211 -0.1552822 -0.3264699 -0.1552711 -1.0193965 -0.1905022 -0.3216542 -0.1789319 -1.1418657 23 F -1.1591211 0.1552822 0.3264699 0.1552711 -1.0193965 -0.1905022 0.3216542 -0.1789319 -1.1418657 24 F -1.1591211 0.1552822 0.3264699 0.1552711 -1.0193965 -0.1905022 0.3216542 -0.1789319 -1.1418657 25 Al 3.0189845 -0.0823667 0.0027798 -0.0409906 3.1087301 0.1727633 -0.0632661 -0.1044953 2.9457443 26 Al 3.0189845 -0.0823667 -0.0027798 -0.0409906 3.1087301 -0.1727633 0.0632661 0.1044953 2.9457443 27 Al 3.0189845 0.0823667 0.0027798 0.0409906 3.1087301 -0.1727633 -0.0632661 0.1044953 2.9457443 28 Al 3.0189845 0.0823667 -0.0027798 0.0409906 3.1087301 0.1727633 0.0632661 -0.1044953 2.9457443 29 Al 3.0189845 0.0823667 -0.0027798 0.0409906 3.1087301 0.1727633 0.0632661 -0.1044953 2.9457443 30 Al 3.0189845 0.0823667 0.0027798 0.0409906 3.1087301 -0.1727633 -0.0632661 0.1044953 2.9457443 31 Al 3.0189845 -0.0823667 -0.0027798 -0.0409906 3.1087301 -0.1727633 0.0632661 0.1044953 2.9457443 32 Al 3.0189845 -0.0823667 0.0027798 -0.0409906 3.1087301 0.1727633 -0.0632661 -0.1044953 2.9457443 33 Si 3.2899186 0.0000000 -0.0061569 0.0000000 3.1476384 -0.0000000 0.0775120 -0.0000000 3.3092195 34 Si 3.2899186 0.0000000 0.0061569 0.0000000 3.1476384 -0.0000000 -0.0775120 -0.0000000 3.3092195 35 Si 3.2899186 0.0000000 -0.0061569 0.0000000 3.1476384 -0.0000000 0.0775120 -0.0000000 3.3092195 36 Si 3.2899186 0.0000000 0.0061569 0.0000000 3.1476384 -0.0000000 -0.0775120 -0.0000000 3.3092195 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (xxx) -0.00000002 (xxx) -0.00000002 (xxx) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- 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 6 11 ] 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: 0.59, Number of G-points: 295, 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 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 4.352 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.412 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 6.251 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 0.000) 0.000 6.888 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 0.000) 0.000 7.014 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.607 ( 0.000 0.000 0.000) 0.000 7.616 ( 0.000 0.000 0.000) 0.000 7.743 ( 0.000 0.000 0.000) 0.000 8.008 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.205 ( 0.000 0.000 0.000) 0.000 8.375 ( 0.000 0.000 0.000) 0.000 8.411 ( 0.000 0.000 0.000) 0.000 8.468 ( 0.000 0.000 0.000) 0.000 8.576 ( 0.000 0.000 0.000) 0.000 8.809 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.034 ( 0.000 0.000 0.000) 0.000 9.471 ( 0.000 0.000 0.000) 0.000 9.555 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.824 ( 0.000 0.000 0.000) 0.000 10.154 ( 0.000 0.000 0.000) 0.000 10.283 ( 0.000 0.000 0.000) 0.000 10.500 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.926 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.552 ( 0.000 0.000 0.000) 0.000 12.134 ( 0.000 0.000 0.000) 0.000 12.301 ( 0.000 0.000 0.000) 0.000 12.539 ( 0.000 0.000 0.000) 0.000 12.585 ( 0.000 0.000 0.000) 0.000 12.973 ( 0.000 0.000 0.000) 0.000 12.997 ( 0.000 0.000 0.000) 0.000 13.014 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.571 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 13.915 ( 0.000 0.000 0.000) 0.000 13.952 ( 0.000 0.000 0.000) 0.000 14.057 ( 0.000 0.000 0.000) 0.000 14.136 ( 0.000 0.000 0.000) 0.000 14.295 ( 0.000 0.000 0.000) 0.000 14.344 ( 0.000 0.000 0.000) 0.000 14.487 ( 0.000 0.000 0.000) 0.000 14.509 ( 0.000 0.000 0.000) 0.000 14.529 ( 0.000 0.000 0.000) 0.000 14.608 ( 0.000 0.000 0.000) 0.000 15.053 ( 0.000 0.000 0.000) 0.000 15.057 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 15.768 ( 0.000 0.000 0.000) 0.000 15.806 ( 0.000 0.000 0.000) 0.000 15.996 ( 0.000 0.000 0.000) 0.000 16.433 ( 0.000 0.000 0.000) 0.000 16.484 ( 0.000 0.000 0.000) 0.000 16.543 ( 0.000 0.000 0.000) 0.000 16.977 ( 0.000 0.000 0.000) 0.000 17.100 ( 0.000 0.000 0.000) 0.000 17.350 ( 0.000 0.000 0.000) 0.000 17.396 ( 0.000 0.000 0.000) 0.000 17.753 ( 0.000 0.000 0.000) 0.000 17.808 ( 0.000 0.000 0.000) 0.000 17.833 ( 0.000 0.000 0.000) 0.000 18.211 ( 0.000 0.000 0.000) 0.000 18.241 ( 0.000 0.000 0.000) 0.000 18.320 ( 0.000 0.000 0.000) 0.000 18.487 ( 0.000 0.000 0.000) 0.000 18.577 ( 0.000 0.000 0.000) 0.000 18.870 ( 0.000 0.000 0.000) 0.000 19.928 ( 0.000 0.000 0.000) 0.000 20.131 ( 0.000 0.000 0.000) 0.000 20.266 ( 0.000 0.000 0.000) 0.000 20.409 ( 0.000 0.000 0.000) 0.000 20.728 ( 0.000 0.000 0.000) 0.000 20.755 ( 0.000 0.000 0.000) 0.000 20.776 ( 0.000 0.000 0.000) 0.000 25.325 ( 0.000 0.000 0.000) 0.000 25.330 ( 0.000 0.000 0.000) 0.000 25.502 ( 0.000 0.000 0.000) 0.000 25.516 ( 0.000 0.000 0.000) 0.000 25.821 ( 0.000 0.000 0.000) 0.000 26.249 ( 0.000 0.000 0.000) 0.000 26.641 ( 0.000 0.000 0.000) 0.000 26.902 ( 0.000 0.000 0.000) 0.000 27.018 ( 0.000 0.000 0.000) 0.000 27.299 ( 0.000 0.000 0.000) 0.000 27.644 ( 0.000 0.000 0.000) 0.000 27.665 ( 0.000 0.000 0.000) 0.000 28.900 ( 0.000 0.000 0.000) 0.000 29.373 ( 0.000 0.000 0.000) 0.000 29.580 ( 0.000 0.000 0.000) 0.000 29.685 ( 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: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( 52.973 0.000 0.000) 52.973 1.116 ( 58.352 0.000 0.000) 58.352 1.768 ( 91.550 0.000 0.000) 91.550 4.297 ( -6.558 0.000 0.000) 6.558 4.694 ( -41.182 0.000 0.000) 41.182 4.702 ( 1.129 0.000 0.000) 1.129 4.885 ( -2.723 0.000 0.000) 2.723 5.041 ( -0.230 0.000 0.000) 0.230 5.251 ( 7.750 0.000 0.000) 7.750 5.892 ( -29.646 0.000 0.000) 29.646 6.107 ( 31.564 0.000 0.000) 31.564 6.618 ( -8.875 0.000 0.000) 8.875 6.777 ( -20.778 0.000 0.000) 20.778 6.942 ( 3.890 0.000 0.000) 3.890 6.963 ( -0.887 0.000 0.000) 0.887 7.124 ( -0.544 0.000 0.000) 0.544 7.419 ( -17.551 0.000 0.000) 17.551 7.694 ( 0.112 0.000 0.000) 0.112 7.848 ( 2.720 0.000 0.000) 2.720 8.001 ( -1.278 0.000 0.000) 1.278 8.149 ( -1.592 0.000 0.000) 1.592 8.164 ( -18.154 0.000 0.000) 18.154 8.371 ( 15.360 0.000 0.000) 15.360 8.423 ( -1.672 0.000 0.000) 1.672 8.461 ( -2.842 0.000 0.000) 2.842 8.626 ( 3.281 0.000 0.000) 3.281 8.879 ( -4.063 0.000 0.000) 4.063 9.010 ( -2.573 0.000 0.000) 2.573 9.164 ( 19.457 0.000 0.000) 19.457 9.171 ( 25.417 0.000 0.000) 25.417 9.480 ( -8.881 0.000 0.000) 8.881 9.567 ( 8.591 0.000 0.000) 8.591 9.616 ( 4.731 0.000 0.000) 4.731 9.820 ( 4.769 0.000 0.000) 4.769 10.115 ( 1.241 0.000 0.000) 1.241 10.208 ( 6.165 0.000 0.000) 6.165 10.430 ( -4.882 0.000 0.000) 4.882 10.764 ( -7.688 0.000 0.000) 7.688 10.810 ( 1.422 0.000 0.000) 1.422 10.911 ( 15.666 0.000 0.000) 15.666 11.177 ( -19.910 0.000 0.000) 19.910 11.637 ( 0.581 0.000 0.000) 0.581 11.673 ( 38.514 0.000 0.000) 38.514 12.158 ( -14.452 0.000 0.000) 14.452 12.187 ( -0.393 0.000 0.000) 0.393 12.492 ( -4.931 0.000 0.000) 4.931 12.517 ( -6.805 0.000 0.000) 6.805 12.892 ( -10.203 0.000 0.000) 10.203 13.035 ( 4.972 0.000 0.000) 4.972 13.300 ( 1.929 0.000 0.000) 1.929 13.400 ( -4.648 0.000 0.000) 4.648 13.427 ( -14.157 0.000 0.000) 14.157 13.680 ( -16.835 0.000 0.000) 16.835 13.731 ( -14.537 0.000 0.000) 14.537 13.858 ( -15.049 0.000 0.000) 15.049 13.992 ( -11.760 0.000 0.000) 11.760 14.065 ( -4.258 0.000 0.000) 4.258 14.336 ( -5.920 0.000 0.000) 5.920 14.532 ( 17.101 0.000 0.000) 17.101 14.680 ( 15.071 0.000 0.000) 15.071 14.716 ( 6.668 0.000 0.000) 6.668 14.723 ( -27.136 0.000 0.000) 27.136 14.959 ( 1.792 0.000 0.000) 1.792 14.963 ( 22.792 0.000 0.000) 22.792 15.011 ( 22.302 0.000 0.000) 22.302 15.544 ( -2.618 0.000 0.000) 2.618 15.855 ( 2.342 0.000 0.000) 2.342 15.871 ( 10.559 0.000 0.000) 10.559 16.231 ( 10.750 0.000 0.000) 10.750 16.477 ( -7.098 0.000 0.000) 7.098 16.497 ( 6.501 0.000 0.000) 6.501 16.717 ( 20.923 0.000 0.000) 20.923 16.943 ( -0.610 0.000 0.000) 0.610 17.193 ( 6.880 0.000 0.000) 6.880 17.275 ( -8.820 0.000 0.000) 8.820 17.327 ( -7.212 0.000 0.000) 7.212 17.429 ( -15.180 0.000 0.000) 15.180 18.072 ( -17.308 0.000 0.000) 17.308 18.177 ( -7.499 0.000 0.000) 7.499 18.242 ( 2.863 0.000 0.000) 2.863 18.293 ( 24.797 0.000 0.000) 24.797 18.447 ( -3.213 0.000 0.000) 3.213 18.659 ( -20.230 0.000 0.000) 20.230 18.798 ( 14.352 0.000 0.000) 14.352 19.899 ( -2.987 0.000 0.000) 2.987 20.027 ( -8.350 0.000 0.000) 8.350 20.258 ( 7.100 0.000 0.000) 7.100 20.346 ( 5.915 0.000 0.000) 5.915 20.394 ( -1.391 0.000 0.000) 1.391 20.681 ( -4.440 0.000 0.000) 4.440 20.752 ( -2.539 0.000 0.000) 2.539 20.753 ( -0.405 0.000 0.000) 0.405 25.401 ( 7.274 0.000 0.000) 7.274 25.503 ( 0.096 0.000 0.000) 0.096 25.515 ( -0.097 0.000 0.000) 0.097 25.814 ( -0.820 0.000 0.000) 0.820 26.259 ( 1.348 0.000 0.000) 1.348 26.687 ( 4.546 0.000 0.000) 4.546 26.688 ( -5.218 0.000 0.000) 5.218 27.008 ( -1.119 0.000 0.000) 1.119 27.300 ( 0.164 0.000 0.000) 0.164 27.418 ( -4.954 0.000 0.000) 4.954 27.831 ( 14.762 0.000 0.000) 14.762 28.942 ( 4.364 0.000 0.000) 4.364 29.221 ( -13.584 0.000 0.000) 13.584 29.531 ( -5.105 0.000 0.000) 5.105 29.761 ( 5.755 0.000 0.000) 5.755 30.029 ( -1.396 0.000 0.000) 1.396 ======================= Grid point 2 (3/96) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.996 ( 51.681 0.000 0.000) 51.681 2.187 ( 54.421 0.000 0.000) 54.421 3.320 ( 56.342 0.000 0.000) 56.342 3.859 ( -46.322 0.000 0.000) 46.322 4.137 ( 2.753 0.000 0.000) 2.753 4.734 ( 2.216 0.000 0.000) 2.216 4.838 ( -2.800 0.000 0.000) 2.800 5.041 ( 0.413 0.000 0.000) 0.413 5.391 ( -19.529 0.000 0.000) 19.529 5.471 ( 15.496 0.000 0.000) 15.496 6.249 ( -35.685 0.000 0.000) 35.685 6.300 ( -25.911 0.000 0.000) 25.911 6.651 ( 24.060 0.000 0.000) 24.060 6.885 ( -4.933 0.000 0.000) 4.933 7.036 ( -18.345 0.000 0.000) 18.345 7.068 ( 9.515 0.000 0.000) 9.515 7.095 ( -2.981 0.000 0.000) 2.981 7.757 ( 5.260 0.000 0.000) 5.260 7.765 ( -22.791 0.000 0.000) 22.791 7.900 ( 3.889 0.000 0.000) 3.889 7.939 ( -4.964 0.000 0.000) 4.964 8.176 ( 3.647 0.000 0.000) 3.647 8.299 ( -13.151 0.000 0.000) 13.151 8.374 ( -5.684 0.000 0.000) 5.684 8.598 ( 6.223 0.000 0.000) 6.223 8.630 ( -8.091 0.000 0.000) 8.091 8.704 ( 5.248 0.000 0.000) 5.248 8.936 ( -5.257 0.000 0.000) 5.257 9.599 ( 15.036 0.000 0.000) 15.036 9.604 ( 23.214 0.000 0.000) 23.214 9.624 ( 18.427 0.000 0.000) 18.427 9.738 ( 8.100 0.000 0.000) 8.100 9.768 ( 11.367 0.000 0.000) 11.367 10.026 ( 14.753 0.000 0.000) 14.753 10.224 ( 3.052 0.000 0.000) 3.052 10.356 ( -2.217 0.000 0.000) 2.217 10.418 ( 14.563 0.000 0.000) 14.563 10.598 ( -5.903 0.000 0.000) 5.903 10.773 ( -22.234 0.000 0.000) 22.234 10.931 ( 13.537 0.000 0.000) 13.537 11.183 ( 6.030 0.000 0.000) 6.030 11.613 ( -1.020 0.000 0.000) 1.020 11.858 ( -10.119 0.000 0.000) 10.119 11.975 ( -22.645 0.000 0.000) 22.645 12.095 ( -6.092 0.000 0.000) 6.092 12.326 ( -13.529 0.000 0.000) 13.529 12.507 ( 16.569 0.000 0.000) 16.569 12.799 ( 2.132 0.000 0.000) 2.132 13.108 ( 2.974 0.000 0.000) 2.974 13.173 ( -8.856 0.000 0.000) 8.856 13.227 ( -10.498 0.000 0.000) 10.498 13.350 ( 1.117 0.000 0.000) 1.117 13.402 ( -9.875 0.000 0.000) 9.875 13.535 ( -6.105 0.000 0.000) 6.105 13.632 ( -7.233 0.000 0.000) 7.233 13.963 ( 2.436 0.000 0.000) 2.436 14.052 ( 4.022 0.000 0.000) 4.022 14.171 ( -25.942 0.000 0.000) 25.942 14.241 ( -5.233 0.000 0.000) 5.233 14.513 ( -16.275 0.000 0.000) 16.275 14.852 ( 15.932 0.000 0.000) 15.932 15.012 ( 19.558 0.000 0.000) 19.558 15.203 ( 6.306 0.000 0.000) 6.306 15.301 ( 11.884 0.000 0.000) 11.884 15.334 ( 10.836 0.000 0.000) 10.836 15.537 ( 5.791 0.000 0.000) 5.791 15.792 ( -7.785 0.000 0.000) 7.785 16.145 ( 17.441 0.000 0.000) 17.441 16.274 ( -14.351 0.000 0.000) 14.351 16.460 ( 10.810 0.000 0.000) 10.810 16.664 ( 10.782 0.000 0.000) 10.782 16.980 ( 3.125 0.000 0.000) 3.125 17.069 ( -10.656 0.000 0.000) 10.656 17.137 ( -12.290 0.000 0.000) 12.290 17.140 ( 21.650 0.000 0.000) 21.650 17.310 ( 2.735 0.000 0.000) 2.735 17.334 ( 9.086 0.000 0.000) 9.086 17.753 ( -16.054 0.000 0.000) 16.054 17.948 ( -15.761 0.000 0.000) 15.761 18.170 ( -24.659 0.000 0.000) 24.659 18.325 ( 0.875 0.000 0.000) 0.875 18.400 ( -1.722 0.000 0.000) 1.722 18.727 ( 20.268 0.000 0.000) 20.268 19.016 ( 7.287 0.000 0.000) 7.287 19.825 ( -4.284 0.000 0.000) 4.284 19.861 ( -8.163 0.000 0.000) 8.163 20.366 ( 2.585 0.000 0.000) 2.585 20.368 ( -1.015 0.000 0.000) 1.015 20.463 ( 6.319 0.000 0.000) 6.319 20.621 ( -0.159 0.000 0.000) 0.159 20.683 ( -4.673 0.000 0.000) 4.673 20.731 ( -2.119 0.000 0.000) 2.119 25.506 ( 0.167 0.000 0.000) 0.167 25.513 ( -0.168 0.000 0.000) 0.168 25.560 ( 8.597 0.000 0.000) 8.597 25.782 ( -2.844 0.000 0.000) 2.844 26.311 ( 4.288 0.000 0.000) 4.288 26.561 ( -7.633 0.000 0.000) 7.633 26.792 ( 6.039 0.000 0.000) 6.039 26.972 ( -2.818 0.000 0.000) 2.818 27.306 ( 0.481 0.000 0.000) 0.481 27.352 ( -2.344 0.000 0.000) 2.344 28.155 ( 19.111 0.000 0.000) 19.111 28.911 ( -18.663 0.000 0.000) 18.663 29.059 ( 7.797 0.000 0.000) 7.797 29.398 ( -8.535 0.000 0.000) 8.535 29.861 ( 4.619 0.000 0.000) 4.619 29.992 ( -2.474 0.000 0.000) 2.474 ======================= Grid point 3 (4/96) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.953 ( -49.491 0.000 0.000) 49.491 2.953 ( 49.491 0.000 0.000) 49.491 3.128 ( -42.789 0.000 0.000) 42.789 3.128 ( 42.789 0.000 0.000) 42.789 4.783 ( -2.893 0.000 0.000) 2.893 4.783 ( 2.893 0.000 0.000) 2.893 4.974 ( -27.067 0.000 0.000) 27.067 4.974 ( 27.067 0.000 0.000) 27.067 5.327 ( -35.879 0.000 0.000) 35.879 5.327 ( 35.879 0.000 0.000) 35.879 5.832 ( -22.473 0.000 0.000) 22.473 5.832 ( 22.473 0.000 0.000) 22.473 6.849 ( -2.503 0.000 0.000) 2.503 6.849 ( 2.503 0.000 0.000) 2.503 6.983 ( -10.235 0.000 0.000) 10.235 6.983 ( 10.235 0.000 0.000) 10.235 7.345 ( -20.188 0.000 0.000) 20.188 7.345 ( 20.188 0.000 0.000) 20.188 7.848 ( -4.369 0.000 0.000) 4.369 7.848 ( 4.369 0.000 0.000) 4.369 8.040 ( -11.301 0.000 0.000) 11.301 8.040 ( 11.301 0.000 0.000) 11.301 8.265 ( -5.500 0.000 0.000) 5.500 8.265 ( 5.500 0.000 0.000) 5.500 8.619 ( -2.048 0.000 0.000) 2.048 8.619 ( 2.048 0.000 0.000) 2.048 8.820 ( -6.600 0.000 0.000) 6.600 8.820 ( 6.600 0.000 0.000) 6.600 9.794 ( -2.478 0.000 0.000) 2.478 9.794 ( 2.478 0.000 0.000) 2.478 9.811 ( -1.984 0.000 0.000) 1.984 9.811 ( 1.984 0.000 0.000) 1.984 10.085 ( -16.493 0.000 0.000) 16.493 10.085 ( 16.493 0.000 0.000) 16.493 10.363 ( -20.376 0.000 0.000) 20.376 10.363 ( 20.376 0.000 0.000) 20.376 10.384 ( -5.691 0.000 0.000) 5.691 10.384 ( 5.691 0.000 0.000) 5.691 10.926 ( -25.775 0.000 0.000) 25.775 10.926 ( 25.775 0.000 0.000) 25.775 11.355 ( -27.955 0.000 0.000) 27.955 11.355 ( 27.955 0.000 0.000) 27.955 11.820 ( -12.706 0.000 0.000) 12.706 11.820 ( 12.706 0.000 0.000) 12.706 12.001 ( -18.417 0.000 0.000) 18.417 12.001 ( 18.417 0.000 0.000) 18.417 12.803 ( -7.716 0.000 0.000) 7.716 12.803 ( 7.716 0.000 0.000) 7.716 13.102 ( -0.594 0.000 0.000) 0.594 13.102 ( 0.594 0.000 0.000) 0.594 13.199 ( -7.397 0.000 0.000) 7.397 13.199 ( 7.397 0.000 0.000) 7.397 13.445 ( -4.460 0.000 0.000) 4.460 13.445 ( 4.460 0.000 0.000) 4.460 13.689 ( -15.024 0.000 0.000) 15.024 13.689 ( 15.024 0.000 0.000) 15.024 14.127 ( -6.638 0.000 0.000) 6.638 14.127 ( 6.638 0.000 0.000) 6.638 14.223 ( -13.310 0.000 0.000) 13.310 14.223 ( 13.310 0.000 0.000) 13.310 15.111 ( -11.042 0.000 0.000) 11.042 15.111 ( 11.042 0.000 0.000) 11.042 15.394 ( -19.379 0.000 0.000) 19.379 15.394 ( 19.379 0.000 0.000) 19.379 15.421 ( -1.098 0.000 0.000) 1.098 15.421 ( 1.098 0.000 0.000) 1.098 15.948 ( -18.983 0.000 0.000) 18.983 15.948 ( 18.983 0.000 0.000) 18.983 16.458 ( -12.384 0.000 0.000) 12.384 16.458 ( 12.384 0.000 0.000) 12.384 16.892 ( -13.005 0.000 0.000) 13.005 16.892 ( 13.005 0.000 0.000) 13.005 16.985 ( -1.753 0.000 0.000) 1.753 16.985 ( 1.753 0.000 0.000) 1.753 17.475 ( -12.877 0.000 0.000) 12.877 17.475 ( 12.877 0.000 0.000) 12.877 17.482 ( -7.548 0.000 0.000) 7.548 17.482 ( 7.548 0.000 0.000) 7.548 17.747 ( -9.661 0.000 0.000) 9.661 17.747 ( 9.661 0.000 0.000) 9.661 18.368 ( -1.997 0.000 0.000) 1.997 18.368 ( 1.997 0.000 0.000) 1.997 19.013 ( -8.490 0.000 0.000) 8.490 19.013 ( 8.490 0.000 0.000) 8.490 19.773 ( -0.195 0.000 0.000) 0.195 19.773 ( 0.195 0.000 0.000) 0.195 20.366 ( -0.812 0.000 0.000) 0.812 20.366 ( 0.812 0.000 0.000) 0.812 20.580 ( -5.987 0.000 0.000) 5.987 20.580 ( 5.987 0.000 0.000) 5.987 20.671 ( -3.875 0.000 0.000) 3.875 20.671 ( 3.875 0.000 0.000) 3.875 25.509 ( -0.194 0.000 0.000) 0.194 25.509 ( 0.194 0.000 0.000) 0.194 25.700 ( -5.913 0.000 0.000) 5.913 25.700 ( 5.913 0.000 0.000) 5.913 26.419 ( -6.943 0.000 0.000) 6.943 26.419 ( 6.943 0.000 0.000) 6.943 26.899 ( -4.919 0.000 0.000) 4.919 26.899 ( 4.919 0.000 0.000) 4.919 27.321 ( -1.099 0.000 0.000) 1.099 27.321 ( 1.099 0.000 0.000) 1.099 28.535 ( -20.575 0.000 0.000) 20.575 28.535 ( 20.575 0.000 0.000) 20.575 29.225 ( -9.409 0.000 0.000) 9.409 29.225 ( 9.409 0.000 0.000) 9.409 29.936 ( -3.394 0.000 0.000) 3.394 29.936 ( 3.394 0.000 0.000) 3.394 ======================= Grid point 7 (5/96) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.000 52.941 0.000) 52.941 1.166 ( 0.000 58.511 0.000) 58.511 1.741 ( 0.000 85.756 0.000) 85.756 4.376 ( 0.000 1.933 0.000) 1.933 4.669 ( 0.000 -2.210 0.000) 2.210 4.722 ( 0.000 -17.443 0.000) 17.443 4.883 ( 0.000 -30.244 0.000) 30.244 5.074 ( 0.000 3.230 0.000) 3.230 5.527 ( 0.000 10.965 0.000) 10.965 5.591 ( 0.000 8.110 0.000) 8.110 6.192 ( 0.000 -8.286 0.000) 8.286 6.492 ( 0.000 -23.216 0.000) 23.216 6.905 ( 0.000 8.901 0.000) 8.901 6.967 ( 0.000 -4.572 0.000) 4.572 7.010 ( 0.000 6.644 0.000) 6.644 7.017 ( 0.000 -9.615 0.000) 9.615 7.555 ( 0.000 -15.454 0.000) 15.454 7.593 ( 0.000 -0.172 0.000) 0.172 7.626 ( 0.000 -7.290 0.000) 7.290 7.849 ( 0.000 7.126 0.000) 7.126 8.156 ( 0.000 -3.039 0.000) 3.039 8.233 ( 0.000 0.378 0.000) 0.378 8.383 ( 0.000 -1.044 0.000) 1.044 8.411 ( 0.000 2.067 0.000) 2.067 8.788 ( 0.000 3.493 0.000) 3.493 8.802 ( 0.000 0.365 0.000) 0.365 8.828 ( 0.000 -3.839 0.000) 3.839 8.879 ( 0.000 17.671 0.000) 17.671 9.217 ( 0.000 15.465 0.000) 15.465 9.232 ( 0.000 35.983 0.000) 35.983 9.482 ( 0.000 1.336 0.000) 1.336 9.569 ( 0.000 1.981 0.000) 1.981 9.692 ( 0.000 -8.071 0.000) 8.071 9.793 ( 0.000 2.969 0.000) 2.969 10.276 ( 0.000 6.604 0.000) 6.604 10.284 ( 0.000 0.152 0.000) 0.152 10.576 ( 0.000 -11.514 0.000) 11.514 10.678 ( 0.000 -8.100 0.000) 8.100 10.740 ( 0.000 9.527 0.000) 9.527 11.004 ( 0.000 -1.184 0.000) 1.184 11.082 ( 0.000 0.979 0.000) 0.979 11.189 ( 0.000 19.074 0.000) 19.074 11.508 ( 0.000 -4.210 0.000) 4.210 11.878 ( 0.000 -12.119 0.000) 12.119 12.294 ( 0.000 -24.101 0.000) 24.101 12.488 ( 0.000 -4.639 0.000) 4.639 12.637 ( 0.000 9.077 0.000) 9.077 12.920 ( 0.000 -2.081 0.000) 2.081 12.959 ( 0.000 -5.120 0.000) 5.120 13.123 ( 0.000 12.438 0.000) 12.438 13.259 ( 0.000 -23.404 0.000) 23.404 13.517 ( 0.000 7.749 0.000) 7.749 13.528 ( 0.000 -12.587 0.000) 12.587 13.549 ( 0.000 -27.270 0.000) 27.270 13.784 ( 0.000 -38.591 0.000) 38.591 14.031 ( 0.000 -1.633 0.000) 1.633 14.239 ( 0.000 -7.054 0.000) 7.054 14.369 ( 0.000 14.017 0.000) 14.017 14.564 ( 0.000 2.740 0.000) 2.740 14.607 ( 0.000 3.288 0.000) 3.288 14.787 ( 0.000 23.481 0.000) 23.481 14.911 ( 0.000 -9.940 0.000) 9.940 14.931 ( 0.000 25.776 0.000) 25.776 15.111 ( 0.000 6.263 0.000) 6.263 15.411 ( 0.000 16.642 0.000) 16.642 15.575 ( 0.000 -16.929 0.000) 16.929 15.780 ( 0.000 1.516 0.000) 1.516 15.880 ( 0.000 16.853 0.000) 16.853 16.299 ( 0.000 23.172 0.000) 23.172 16.346 ( 0.000 -12.262 0.000) 12.262 16.485 ( 0.000 0.061 0.000) 0.061 16.706 ( 0.000 -3.892 0.000) 3.892 16.913 ( 0.000 -16.329 0.000) 16.329 17.112 ( 0.000 6.810 0.000) 6.810 17.298 ( 0.000 -3.937 0.000) 3.937 17.427 ( 0.000 0.333 0.000) 0.333 17.589 ( 0.000 -9.716 0.000) 9.716 17.958 ( 0.000 8.007 0.000) 8.007 18.195 ( 0.000 -1.835 0.000) 1.835 18.214 ( 0.000 0.211 0.000) 0.211 18.297 ( 0.000 -0.618 0.000) 0.618 18.639 ( 0.000 12.659 0.000) 12.659 18.732 ( 0.000 12.232 0.000) 12.232 18.734 ( 0.000 -13.325 0.000) 13.325 19.863 ( 0.000 7.239 0.000) 7.239 20.080 ( 0.000 -4.016 0.000) 4.016 20.235 ( 0.000 -3.033 0.000) 3.033 20.311 ( 0.000 3.599 0.000) 3.599 20.441 ( 0.000 2.216 0.000) 2.216 20.699 ( 0.000 -5.290 0.000) 5.290 20.700 ( 0.000 -2.846 0.000) 2.846 20.716 ( 0.000 -5.909 0.000) 5.909 25.325 ( 0.000 -0.033 0.000) 0.033 25.329 ( 0.000 -0.096 0.000) 0.096 25.565 ( 0.000 4.420 0.000) 4.420 25.816 ( 0.000 -0.610 0.000) 0.610 26.288 ( 0.000 3.882 0.000) 3.882 26.651 ( 0.000 0.548 0.000) 0.548 26.912 ( 0.000 0.938 0.000) 0.938 27.013 ( 0.000 -0.509 0.000) 0.509 27.339 ( 0.000 4.608 0.000) 4.608 27.638 ( 0.000 -0.558 0.000) 0.558 27.656 ( 0.000 -0.770 0.000) 0.770 28.688 ( 0.000 -17.692 0.000) 17.692 29.485 ( 0.000 7.790 0.000) 7.790 29.596 ( 0.000 1.525 0.000) 1.525 29.684 ( 0.000 -0.061 0.000) 0.061 29.740 ( 0.000 -0.695 0.000) 0.695 ======================= Grid point 8 (6/96) ======================= q-point: ( 0.17 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 39.223 40.203 0.000) 56.167 1.600 ( 39.207 41.235 0.000) 56.899 2.392 ( 61.996 57.130 0.000) 84.305 4.333 ( -5.448 3.697 0.000) 6.584 4.677 ( 0.597 -2.844 0.000) 2.907 4.695 ( -6.950 -13.317 0.000) 15.022 4.891 ( -32.909 13.147 0.000) 35.438 4.939 ( 6.928 -29.152 0.000) 29.964 5.079 ( 0.496 3.912 0.000) 3.944 5.946 ( -22.260 2.288 0.000) 22.377 6.093 ( 22.479 -2.625 0.000) 22.632 6.499 ( -2.363 -19.438 0.000) 19.581 6.725 ( -19.754 -5.355 0.000) 20.467 6.902 ( -1.531 7.793 0.000) 7.942 6.932 ( -6.909 -8.254 0.000) 10.764 7.052 ( 4.326 -1.803 0.000) 4.687 7.430 ( -10.832 -13.635 0.000) 17.414 7.504 ( -5.244 -0.988 0.000) 5.337 7.725 ( -9.565 -3.272 0.000) 10.109 7.792 ( 7.969 -2.873 0.000) 8.471 8.178 ( -4.768 -2.358 0.000) 5.319 8.223 ( 2.617 -6.637 0.000) 7.134 8.477 ( 4.429 6.227 0.000) 7.642 8.528 ( 8.875 13.068 0.000) 15.796 8.622 ( -8.591 13.883 0.000) 16.327 8.787 ( 4.050 -4.319 0.000) 5.921 9.060 ( 13.052 4.334 0.000) 13.753 9.104 ( 8.694 22.766 0.000) 24.369 9.179 ( -0.056 7.107 0.000) 7.107 9.344 ( 16.983 21.560 0.000) 27.445 9.467 ( -12.307 -0.749 0.000) 12.330 9.589 ( 9.210 0.579 0.000) 9.228 9.690 ( -3.814 4.949 0.000) 6.248 9.746 ( 6.890 -5.526 0.000) 8.832 9.981 ( -4.311 -4.448 0.000) 6.194 10.428 ( 8.511 9.225 0.000) 12.552 10.581 ( -7.936 -8.142 0.000) 11.370 10.595 ( -6.301 10.020 0.000) 11.836 10.760 ( 15.985 -7.849 0.000) 17.808 11.030 ( 2.369 13.087 0.000) 13.300 11.111 ( -13.205 -2.529 0.000) 13.445 11.528 ( 4.474 -8.246 0.000) 9.382 11.581 ( 23.649 -8.298 0.000) 25.063 11.935 ( -0.202 -9.886 0.000) 9.888 12.184 ( -9.387 -21.122 0.000) 23.114 12.341 ( -25.595 -6.975 0.000) 26.528 12.546 ( 5.932 -1.868 0.000) 6.219 12.940 ( 3.558 9.264 0.000) 9.924 13.085 ( 7.670 -11.021 0.000) 13.427 13.098 ( -3.652 -6.382 0.000) 7.353 13.208 ( 0.112 -2.930 0.000) 2.932 13.382 ( -8.003 -2.553 0.000) 8.401 13.563 ( 2.799 8.116 0.000) 8.585 13.664 ( 6.051 -19.662 0.000) 20.572 13.770 ( -18.804 1.517 0.000) 18.865 13.935 ( -2.249 -35.232 0.000) 35.304 14.054 ( -9.119 -0.343 0.000) 9.126 14.503 ( -1.924 -1.443 0.000) 2.405 14.533 ( -10.491 15.296 0.000) 18.548 14.614 ( 12.779 3.438 0.000) 13.233 14.631 ( -24.793 -5.911 0.000) 25.488 14.816 ( 12.370 14.668 0.000) 19.187 15.007 ( 2.364 2.637 0.000) 3.541 15.161 ( 14.244 11.910 0.000) 18.568 15.262 ( -9.503 19.572 0.000) 21.757 15.693 ( 12.141 -13.704 0.000) 18.308 15.732 ( -1.037 2.845 0.000) 3.028 15.896 ( -2.820 16.287 0.000) 16.530 16.319 ( -2.619 -10.176 0.000) 10.507 16.349 ( 4.671 7.319 0.000) 8.682 16.704 ( 3.439 0.278 0.000) 3.450 16.738 ( 22.828 12.908 0.000) 26.225 16.885 ( -2.641 -13.516 0.000) 13.772 17.160 ( 4.375 2.876 0.000) 5.236 17.182 ( -10.336 -2.960 0.000) 10.752 17.366 ( -5.886 0.540 0.000) 5.911 17.472 ( -6.841 -0.945 0.000) 6.906 18.097 ( -10.567 2.515 0.000) 10.862 18.192 ( -7.369 1.699 0.000) 7.562 18.219 ( 16.470 -3.140 0.000) 16.767 18.256 ( 3.545 1.196 0.000) 3.742 18.595 ( -4.006 13.137 0.000) 13.734 18.766 ( -4.400 -0.082 0.000) 4.401 18.876 ( 11.123 7.124 0.000) 13.209 19.916 ( 4.395 1.721 0.000) 4.720 19.997 ( -7.339 -2.546 0.000) 7.769 20.091 ( -8.688 -4.409 0.000) 9.743 20.276 ( 2.662 -4.399 0.000) 5.142 20.443 ( 0.790 2.072 0.000) 2.218 20.636 ( -5.969 -3.810 0.000) 7.082 20.684 ( -1.778 -6.507 0.000) 6.745 20.732 ( -1.014 -3.749 0.000) 3.884 25.393 ( 6.800 -0.422 0.000) 6.814 25.455 ( 7.099 -2.171 0.000) 7.424 25.564 ( -0.128 4.355 0.000) 4.357 25.808 ( -0.894 -0.686 0.000) 1.127 26.302 ( 1.707 4.247 0.000) 4.578 26.696 ( 4.379 0.349 0.000) 4.393 26.804 ( -8.422 5.571 0.000) 10.098 27.006 ( -1.078 -0.499 0.000) 1.188 27.343 ( 0.428 4.857 0.000) 4.876 27.519 ( -7.108 6.115 0.000) 9.376 27.807 ( 13.331 -2.342 0.000) 13.535 28.696 ( 0.311 -18.588 0.000) 18.591 29.376 ( -8.563 9.659 0.000) 12.908 29.541 ( -5.107 1.281 0.000) 5.265 29.750 ( 4.671 -1.108 0.000) 4.801 29.847 ( 5.052 -9.402 0.000) 10.673 ======================= Grid point 9 (7/96) ======================= q-point: ( 0.33 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.357 ( 43.879 31.045 0.000) 53.751 2.438 ( 46.274 23.896 0.000) 52.080 3.591 ( 38.689 25.312 0.000) 46.234 4.063 ( -42.652 18.434 0.000) 46.465 4.229 ( 12.515 10.111 0.000) 16.089 4.695 ( 1.634 -4.056 0.000) 4.373 4.726 ( -1.273 -10.179 0.000) 10.259 5.097 ( 1.425 5.382 0.000) 5.568 5.145 ( 13.247 -21.849 0.000) 25.551 5.555 ( -13.660 6.652 0.000) 15.193 6.134 ( -25.220 -15.874 0.000) 29.800 6.279 ( -25.722 1.952 0.000) 25.796 6.552 ( 9.681 -16.118 0.000) 18.802 6.806 ( -5.555 -7.848 0.000) 9.615 6.828 ( -5.808 -1.296 0.000) 5.951 7.086 ( -6.246 0.580 0.000) 6.273 7.257 ( -2.287 -27.416 0.000) 27.511 7.405 ( -4.493 15.364 0.000) 16.008 7.639 ( 4.709 -8.732 0.000) 9.921 7.900 ( 3.947 -0.003 0.000) 3.947 8.064 ( -6.012 -6.777 0.000) 9.059 8.242 ( 0.996 -4.516 0.000) 4.625 8.264 ( -18.368 24.802 0.000) 30.863 8.548 ( -5.319 11.074 0.000) 12.285 8.686 ( -3.468 7.665 0.000) 8.413 8.829 ( 8.260 13.862 0.000) 16.136 9.076 ( -1.420 12.371 0.000) 12.452 9.109 ( 0.780 28.026 0.000) 28.037 9.460 ( 9.057 -3.692 0.000) 9.781 9.474 ( 18.914 -9.130 0.000) 21.003 9.655 ( 3.369 -4.073 0.000) 5.286 9.766 ( 17.321 5.924 0.000) 18.306 9.839 ( 13.063 2.732 0.000) 13.346 9.968 ( 15.825 -3.849 0.000) 16.287 10.097 ( 7.112 -5.392 0.000) 8.925 10.426 ( -1.534 -15.229 0.000) 15.306 10.507 ( -3.224 8.149 0.000) 8.764 10.673 ( 15.983 14.555 0.000) 21.617 10.741 ( -20.231 -1.670 0.000) 20.300 11.070 ( 2.530 13.082 0.000) 13.325 11.120 ( 17.342 -4.293 0.000) 17.866 11.503 ( -8.310 -6.577 0.000) 10.597 11.751 ( -4.657 -33.144 0.000) 33.469 11.790 ( -29.954 -11.669 0.000) 32.147 11.812 ( -9.718 -7.259 0.000) 12.130 11.978 ( -12.580 -12.714 0.000) 17.885 12.775 ( 16.579 7.806 0.000) 18.325 13.018 ( 4.536 9.834 0.000) 10.830 13.094 ( 4.927 -6.703 0.000) 8.319 13.168 ( -3.138 -6.896 0.000) 7.576 13.192 ( -3.180 5.350 0.000) 6.224 13.324 ( 4.064 8.262 0.000) 9.208 13.502 ( -4.717 3.522 0.000) 5.887 13.520 ( -6.756 7.934 0.000) 10.421 13.740 ( -1.148 -2.439 0.000) 2.696 13.813 ( -1.278 -15.798 0.000) 15.850 13.906 ( -6.722 -7.615 0.000) 10.158 14.090 ( -28.836 -3.375 0.000) 29.033 14.347 ( -5.027 11.837 0.000) 12.860 14.501 ( -5.046 -9.634 0.000) 10.876 14.903 ( 14.709 -6.748 0.000) 16.183 15.050 ( 12.472 13.759 0.000) 18.571 15.132 ( 4.885 -7.596 0.000) 9.031 15.188 ( 2.448 4.106 0.000) 4.780 15.360 ( 6.450 -0.891 0.000) 6.511 15.738 ( -9.365 -3.207 0.000) 9.899 15.840 ( 7.609 20.407 0.000) 21.780 15.995 ( 17.496 -7.752 0.000) 19.137 16.249 ( -4.752 -2.828 0.000) 5.529 16.387 ( -0.380 0.816 0.000) 0.900 16.795 ( 3.582 -12.014 0.000) 12.537 16.812 ( -5.147 -15.460 0.000) 16.294 16.990 ( -7.585 5.437 0.000) 9.332 17.193 ( -6.216 1.917 0.000) 6.505 17.203 ( 23.777 13.866 0.000) 27.524 17.317 ( 7.608 0.971 0.000) 7.669 17.451 ( 5.347 5.216 0.000) 7.470 17.881 ( -10.612 9.519 0.000) 14.256 18.002 ( -13.479 4.450 0.000) 14.195 18.155 ( -18.815 -1.502 0.000) 18.875 18.372 ( 3.985 4.522 0.000) 6.027 18.515 ( -3.923 11.453 0.000) 12.107 18.820 ( 13.549 7.792 0.000) 15.630 19.056 ( 6.370 3.714 0.000) 7.374 19.842 ( -7.906 -1.661 0.000) 8.078 19.843 ( -6.848 0.898 0.000) 6.907 20.192 ( 10.293 -13.578 0.000) 17.039 20.305 ( 0.568 -3.821 0.000) 3.863 20.491 ( 4.255 0.454 0.000) 4.279 20.522 ( -4.584 -7.236 0.000) 8.566 20.625 ( -4.553 -9.876 0.000) 10.874 20.679 ( -4.166 -1.990 0.000) 4.617 25.512 ( 3.669 0.511 0.000) 3.704 25.560 ( -0.363 4.064 0.000) 4.080 25.572 ( 7.006 0.560 0.000) 7.028 25.775 ( -2.771 -0.693 0.000) 2.857 26.362 ( 4.772 4.997 0.000) 6.909 26.638 ( -8.872 6.266 0.000) 10.862 26.797 ( 5.787 -0.096 0.000) 5.788 26.970 ( -2.796 -0.579 0.000) 2.855 27.356 ( 0.968 5.528 0.000) 5.612 27.425 ( -3.243 6.942 0.000) 7.662 28.104 ( 17.281 -5.066 0.000) 18.008 28.652 ( -6.695 -17.661 0.000) 18.887 29.248 ( -3.041 10.805 0.000) 11.225 29.417 ( -7.545 2.013 0.000) 7.809 29.826 ( 3.205 -3.412 0.000) 4.681 29.889 ( 0.180 -8.394 0.000) 8.396 ======================= Grid point 10 (8/96) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.132 ( -14.768 16.748 0.000) 22.329 3.132 ( 14.768 16.748 0.000) 22.329 3.365 ( -8.703 21.899 0.000) 23.565 3.365 ( 8.703 21.899 0.000) 23.565 4.700 ( -2.080 -7.040 0.000) 7.341 4.700 ( 2.080 -7.040 0.000) 7.341 5.078 ( -16.000 8.179 0.000) 17.970 5.078 ( 16.000 8.179 0.000) 17.970 5.424 ( -43.535 9.985 0.000) 44.665 5.424 ( 43.535 9.985 0.000) 44.665 5.660 ( -21.660 -15.973 0.000) 26.913 5.660 ( 21.660 -15.973 0.000) 26.913 6.737 ( -2.734 -10.745 0.000) 11.087 6.737 ( 2.734 -10.745 0.000) 11.087 6.855 ( -12.769 -10.587 0.000) 16.587 6.855 ( 12.769 -10.587 0.000) 16.587 7.316 ( -4.847 -9.815 0.000) 10.946 7.316 ( 4.847 -9.815 0.000) 10.946 7.874 ( -14.544 14.503 0.000) 20.540 7.874 ( 14.544 14.503 0.000) 20.540 7.993 ( -0.417 -3.192 0.000) 3.219 7.993 ( 0.417 -3.192 0.000) 3.219 8.334 ( -9.002 6.364 0.000) 11.024 8.334 ( 9.002 6.364 0.000) 11.024 8.803 ( -7.386 12.992 0.000) 14.945 8.803 ( 7.386 12.992 0.000) 14.945 9.107 ( -1.861 22.508 0.000) 22.585 9.107 ( 1.861 22.508 0.000) 22.585 9.583 ( -2.578 -8.581 0.000) 8.960 9.583 ( 2.578 -8.581 0.000) 8.960 9.922 ( -17.287 -11.333 0.000) 20.670 9.922 ( 17.287 -11.333 0.000) 20.670 9.965 ( -2.142 4.038 0.000) 4.571 9.965 ( 2.142 4.038 0.000) 4.571 10.305 ( -19.088 -2.710 0.000) 19.280 10.305 ( 19.088 -2.710 0.000) 19.280 10.550 ( -1.253 5.444 0.000) 5.586 10.550 ( 1.253 5.444 0.000) 5.586 11.036 ( -24.540 9.762 0.000) 26.411 11.036 ( 24.540 9.762 0.000) 26.411 11.280 ( -20.781 -9.150 0.000) 22.706 11.280 ( 20.781 -9.150 0.000) 22.706 11.539 ( -14.633 -19.318 0.000) 24.235 11.539 ( 14.633 -19.318 0.000) 24.235 11.779 ( -5.977 -10.967 0.000) 12.490 11.779 ( 5.977 -10.967 0.000) 12.490 13.019 ( -8.776 3.698 0.000) 9.523 13.019 ( 8.776 3.698 0.000) 9.523 13.097 ( -1.722 -0.090 0.000) 1.724 13.097 ( 1.722 -0.090 0.000) 1.724 13.313 ( -7.601 13.676 0.000) 15.647 13.313 ( 7.601 13.676 0.000) 15.647 13.517 ( -0.992 5.006 0.000) 5.103 13.517 ( 0.992 5.006 0.000) 5.103 13.673 ( -4.922 1.504 0.000) 5.147 13.673 ( 4.922 1.504 0.000) 5.147 13.837 ( -1.334 -16.861 0.000) 16.914 13.837 ( 1.334 -16.861 0.000) 16.914 14.367 ( -6.049 2.858 0.000) 6.690 14.367 ( 6.049 2.858 0.000) 6.690 15.110 ( -6.635 -7.757 0.000) 10.208 15.110 ( 6.635 -7.757 0.000) 10.208 15.231 ( -2.352 -0.469 0.000) 2.398 15.231 ( 2.352 -0.469 0.000) 2.398 15.494 ( -11.837 1.232 0.000) 11.901 15.494 ( 11.837 1.232 0.000) 11.901 16.052 ( -10.857 9.242 0.000) 14.258 16.052 ( 10.857 9.242 0.000) 14.258 16.325 ( -9.023 -6.404 0.000) 11.065 16.325 ( 9.023 -6.404 0.000) 11.065 16.744 ( -1.283 -16.545 0.000) 16.595 16.744 ( 1.283 -16.545 0.000) 16.595 17.041 ( -8.393 4.005 0.000) 9.299 17.041 ( 8.393 4.005 0.000) 9.299 17.483 ( -0.448 6.038 0.000) 6.054 17.483 ( 0.448 6.038 0.000) 6.054 17.678 ( -17.445 8.004 0.000) 19.194 17.678 ( 17.445 8.004 0.000) 19.194 17.810 ( -7.911 8.208 0.000) 11.400 17.810 ( 7.911 8.208 0.000) 11.400 18.447 ( -3.653 8.097 0.000) 8.883 18.447 ( 3.653 8.097 0.000) 8.883 19.054 ( -7.597 3.721 0.000) 8.459 19.054 ( 7.597 3.721 0.000) 8.459 19.760 ( -0.497 -1.601 0.000) 1.676 19.760 ( 0.497 -1.601 0.000) 1.676 20.306 ( -1.281 -3.996 0.000) 4.196 20.306 ( 1.281 -3.996 0.000) 4.196 20.524 ( -4.769 -13.413 0.000) 14.235 20.524 ( 4.769 -13.413 0.000) 14.235 20.587 ( -5.304 -0.817 0.000) 5.367 20.587 ( 5.304 -0.817 0.000) 5.367 25.548 ( -0.979 3.144 0.000) 3.293 25.548 ( 0.979 3.144 0.000) 3.293 25.698 ( -5.556 -0.326 0.000) 5.565 25.698 ( 5.556 -0.326 0.000) 5.565 26.480 ( -7.568 5.714 0.000) 9.483 26.480 ( 7.568 5.714 0.000) 9.483 26.899 ( -4.723 -0.492 0.000) 4.748 26.899 ( 4.723 -0.492 0.000) 4.748 27.380 ( -1.705 6.346 0.000) 6.571 27.380 ( 1.705 6.346 0.000) 6.571 28.427 ( -15.854 -10.159 0.000) 18.829 28.427 ( 15.854 -10.159 0.000) 18.829 29.283 ( -5.692 5.332 0.000) 7.799 29.283 ( 5.692 5.332 0.000) 7.799 29.872 ( -1.719 -5.886 0.000) 6.131 29.872 ( 1.719 -5.886 0.000) 6.131 ======================= Grid point 14 (9/96) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 0.000 52.256 0.000) 52.256 2.304 ( 0.000 56.015 0.000) 56.015 3.332 ( 0.000 70.926 0.000) 70.926 4.088 ( 0.000 -38.803 0.000) 38.803 4.202 ( 0.000 -35.171 0.000) 35.171 4.498 ( 0.000 4.072 0.000) 4.072 4.603 ( 0.000 -4.556 0.000) 4.556 5.179 ( 0.000 7.591 0.000) 7.591 5.652 ( 0.000 -8.171 0.000) 8.171 5.778 ( 0.000 -35.386 0.000) 35.386 5.805 ( 0.000 15.786 0.000) 15.786 6.130 ( 0.000 -5.876 0.000) 5.876 6.847 ( 0.000 -6.940 0.000) 6.940 6.901 ( 0.000 0.384 0.000) 0.384 6.911 ( 0.000 -11.218 0.000) 11.218 7.080 ( 0.000 -1.035 0.000) 1.035 7.517 ( 0.000 15.588 0.000) 15.588 7.567 ( 0.000 2.199 0.000) 2.199 7.631 ( 0.000 3.008 0.000) 3.008 8.065 ( 0.000 12.132 0.000) 12.132 8.083 ( 0.000 -3.614 0.000) 3.614 8.142 ( 0.000 -8.961 0.000) 8.961 8.264 ( 0.000 -10.624 0.000) 10.624 8.516 ( 0.000 3.711 0.000) 3.711 8.690 ( 0.000 -7.401 0.000) 7.401 8.806 ( 0.000 -1.097 0.000) 1.097 8.843 ( 0.000 3.461 0.000) 3.461 8.985 ( 0.000 -3.056 0.000) 3.056 9.515 ( 0.000 12.010 0.000) 12.010 9.570 ( 0.000 1.629 0.000) 1.629 9.595 ( 0.000 -1.762 0.000) 1.762 9.766 ( 0.000 0.351 0.000) 0.351 9.894 ( 0.000 28.465 0.000) 28.465 10.009 ( 0.000 33.753 0.000) 33.753 10.297 ( 0.000 1.752 0.000) 1.752 10.328 ( 0.000 -0.669 0.000) 0.669 10.461 ( 0.000 1.821 0.000) 1.821 10.563 ( 0.000 -3.744 0.000) 3.744 10.959 ( 0.000 10.859 0.000) 10.859 10.989 ( 0.000 1.312 0.000) 1.312 11.108 ( 0.000 1.300 0.000) 1.300 11.406 ( 0.000 -5.118 0.000) 5.118 11.644 ( 0.000 -13.481 0.000) 13.481 11.645 ( 0.000 19.534 0.000) 19.534 11.776 ( 0.000 -20.015 0.000) 20.015 12.340 ( 0.000 -20.642 0.000) 20.642 12.408 ( 0.000 -1.178 0.000) 1.178 12.696 ( 0.000 -26.256 0.000) 26.256 12.780 ( 0.000 -24.978 0.000) 24.978 12.979 ( 0.000 -28.105 0.000) 28.105 13.086 ( 0.000 5.043 0.000) 5.043 13.182 ( 0.000 -12.742 0.000) 12.742 13.431 ( 0.000 18.268 0.000) 18.268 13.508 ( 0.000 10.119 0.000) 10.119 13.688 ( 0.000 6.429 0.000) 6.429 14.055 ( 0.000 3.711 0.000) 3.711 14.078 ( 0.000 -9.574 0.000) 9.574 14.472 ( 0.000 -15.518 0.000) 15.518 14.554 ( 0.000 -2.222 0.000) 2.222 14.633 ( 0.000 13.310 0.000) 13.310 14.694 ( 0.000 -10.679 0.000) 10.679 15.186 ( 0.000 -6.780 0.000) 6.780 15.285 ( 0.000 10.398 0.000) 10.398 15.362 ( 0.000 18.582 0.000) 18.582 15.458 ( 0.000 24.711 0.000) 24.711 15.570 ( 0.000 0.684 0.000) 0.684 15.877 ( 0.000 7.781 0.000) 7.781 16.168 ( 0.000 -6.359 0.000) 6.359 16.174 ( 0.000 5.588 0.000) 5.588 16.457 ( 0.000 -0.107 0.000) 0.107 16.512 ( 0.000 -23.134 0.000) 23.134 16.662 ( 0.000 6.528 0.000) 6.528 16.762 ( 0.000 11.878 0.000) 11.878 17.183 ( 0.000 1.924 0.000) 1.924 17.303 ( 0.000 0.501 0.000) 0.501 17.372 ( 0.000 -5.398 0.000) 5.398 17.419 ( 0.000 1.796 0.000) 1.796 18.094 ( 0.000 5.635 0.000) 5.635 18.205 ( 0.000 2.372 0.000) 2.372 18.211 ( 0.000 -0.834 0.000) 0.834 18.292 ( 0.000 -0.617 0.000) 0.617 18.366 ( 0.000 -23.104 0.000) 23.104 18.911 ( 0.000 12.760 0.000) 12.760 18.966 ( 0.000 9.826 0.000) 9.826 20.016 ( 0.000 -1.595 0.000) 1.595 20.057 ( 0.000 11.773 0.000) 11.773 20.152 ( 0.000 -5.309 0.000) 5.309 20.404 ( 0.000 5.468 0.000) 5.468 20.471 ( 0.000 0.813 0.000) 0.813 20.547 ( 0.000 -10.738 0.000) 10.738 20.575 ( 0.000 -6.146 0.000) 6.146 20.624 ( 0.000 -4.816 0.000) 4.816 25.324 ( 0.000 -0.007 0.000) 0.007 25.327 ( 0.000 -0.123 0.000) 0.123 25.663 ( 0.000 4.787 0.000) 4.787 25.792 ( 0.000 -1.827 0.000) 1.827 26.396 ( 0.000 6.715 0.000) 6.715 26.633 ( 0.000 -2.970 0.000) 2.970 26.937 ( 0.000 1.565 0.000) 1.565 26.997 ( 0.000 -1.123 0.000) 1.123 27.513 ( 0.000 13.481 0.000) 13.481 27.627 ( 0.000 -0.417 0.000) 0.417 27.639 ( 0.000 -0.914 0.000) 0.914 28.286 ( 0.000 -21.828 0.000) 21.828 29.612 ( 0.000 4.644 0.000) 4.644 29.636 ( 0.000 2.317 0.000) 2.317 29.683 ( 0.000 -0.145 0.000) 0.145 29.719 ( 0.000 -1.495 0.000) 1.495 ======================= Grid point 15 (10/96) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.407 ( 29.098 44.516 0.000) 53.183 2.524 ( 21.825 49.131 0.000) 53.761 3.647 ( 31.403 59.249 0.000) 67.057 4.215 ( 11.607 -37.680 0.000) 39.427 4.237 ( 3.257 -31.654 0.000) 31.821 4.451 ( -2.729 8.619 0.000) 9.041 4.607 ( 0.351 -4.662 0.000) 4.675 5.188 ( -1.945 9.200 0.000) 9.404 5.283 ( -26.827 21.219 0.000) 34.204 5.808 ( 1.103 -22.435 0.000) 22.462 5.846 ( 4.925 -20.587 0.000) 21.168 6.152 ( -9.964 -14.976 0.000) 17.988 6.652 ( -9.052 1.418 0.000) 9.162 6.688 ( -16.188 -6.201 0.000) 17.335 6.952 ( -2.757 -6.588 0.000) 7.142 6.986 ( -10.425 -9.504 0.000) 14.107 7.371 ( -11.445 7.683 0.000) 13.784 7.608 ( 7.894 16.495 0.000) 18.286 7.744 ( 5.552 -3.887 0.000) 6.777 7.869 ( -13.321 11.115 0.000) 17.349 8.086 ( -8.631 -5.543 0.000) 10.258 8.128 ( 4.269 -1.010 0.000) 4.387 8.489 ( 18.700 -11.424 0.000) 21.913 8.559 ( 6.376 -7.369 0.000) 9.744 8.743 ( 11.654 7.572 0.000) 13.898 8.900 ( 1.530 10.345 0.000) 10.458 9.091 ( 10.512 -0.994 0.000) 10.559 9.188 ( 24.117 -7.934 0.000) 25.388 9.518 ( 0.888 14.981 0.000) 15.007 9.527 ( -6.915 6.732 0.000) 9.651 9.665 ( -6.422 5.815 0.000) 8.663 9.675 ( 7.355 -1.429 0.000) 7.493 9.787 ( -6.157 13.388 0.000) 14.736 9.954 ( -12.317 3.538 0.000) 12.815 10.027 ( -0.033 35.585 0.000) 35.585 10.348 ( -9.815 -10.012 0.000) 14.021 10.524 ( 0.079 -5.211 0.000) 5.212 10.591 ( 7.198 1.666 0.000) 7.389 10.979 ( 6.452 16.435 0.000) 17.656 11.110 ( 8.923 -7.672 0.000) 11.768 11.129 ( -9.773 4.260 0.000) 10.661 11.365 ( 4.284 -7.606 0.000) 8.729 11.552 ( -12.048 -2.318 0.000) 12.269 11.630 ( -6.630 -22.804 0.000) 23.748 11.798 ( 1.765 -3.803 0.000) 4.193 12.117 ( -14.143 -5.283 0.000) 15.097 12.551 ( 14.602 3.797 0.000) 15.088 12.720 ( 0.622 -22.082 0.000) 22.091 12.852 ( 9.148 -21.774 0.000) 23.617 13.078 ( -0.577 1.195 0.000) 1.327 13.192 ( 15.040 -23.363 0.000) 27.785 13.197 ( 1.086 -21.074 0.000) 21.102 13.450 ( 0.678 15.205 0.000) 15.221 13.549 ( 4.691 13.336 0.000) 14.137 13.739 ( 4.335 7.385 0.000) 8.564 13.804 ( -13.656 1.285 0.000) 13.717 14.041 ( -13.160 -0.140 0.000) 13.161 14.439 ( 5.573 -14.942 0.000) 15.948 14.487 ( -11.586 -3.358 0.000) 12.063 14.517 ( -17.338 -4.910 0.000) 18.020 14.857 ( 10.023 7.737 0.000) 12.662 15.047 ( -9.724 5.567 0.000) 11.205 15.202 ( -5.827 22.611 0.000) 23.349 15.238 ( 5.052 -3.619 0.000) 6.214 15.492 ( -9.114 -6.150 0.000) 10.995 15.674 ( 14.387 13.473 0.000) 19.711 15.769 ( -6.032 15.086 0.000) 16.247 16.161 ( -0.050 -6.464 0.000) 6.464 16.331 ( -3.044 16.829 0.000) 17.102 16.398 ( 8.682 -3.917 0.000) 9.525 16.510 ( -0.979 -21.449 0.000) 21.472 16.626 ( -8.912 -2.671 0.000) 9.304 16.921 ( 14.175 4.253 0.000) 14.800 17.201 ( 2.052 1.174 0.000) 2.364 17.300 ( 0.861 0.623 0.000) 1.062 17.333 ( -3.459 -3.516 0.000) 4.932 17.442 ( 4.329 12.518 0.000) 13.245 18.152 ( 3.097 -5.701 0.000) 6.487 18.158 ( -4.943 3.367 0.000) 5.980 18.228 ( -5.840 1.054 0.000) 5.935 18.293 ( 8.708 2.496 0.000) 9.058 18.585 ( 18.458 -14.457 0.000) 23.446 18.883 ( -2.821 13.887 0.000) 14.171 19.030 ( 5.520 6.734 0.000) 8.707 19.961 ( -5.407 0.034 0.000) 5.408 20.013 ( -4.419 7.826 0.000) 8.987 20.122 ( -18.559 4.024 0.000) 18.991 20.179 ( 2.308 -6.061 0.000) 6.486 20.456 ( -1.273 -0.521 0.000) 1.376 20.536 ( -4.026 -6.821 0.000) 7.921 20.544 ( -7.133 -4.831 0.000) 8.615 20.615 ( 1.204 -7.251 0.000) 7.350 25.392 ( 6.751 0.343 0.000) 6.760 25.425 ( 7.879 -1.199 0.000) 7.970 25.658 ( -0.470 4.566 0.000) 4.590 25.783 ( -0.965 -1.853 0.000) 2.089 26.419 ( 2.540 7.214 0.000) 7.648 26.672 ( 3.817 -3.337 0.000) 5.070 26.884 ( -5.099 3.206 0.000) 6.023 26.984 ( -1.533 -1.679 0.000) 2.274 27.522 ( 0.939 13.657 0.000) 13.689 27.610 ( -0.823 3.572 0.000) 3.665 27.747 ( 9.750 -3.485 0.000) 10.354 28.290 ( 0.165 -21.659 0.000) 21.659 29.540 ( -5.512 6.846 0.000) 8.789 29.584 ( -4.771 2.923 0.000) 5.595 29.716 ( 1.761 -2.432 0.000) 3.002 29.723 ( 0.151 -4.292 0.000) 4.295 ======================= Grid point 16 (11/96) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 35.695 36.085 0.000) 50.758 3.046 ( 31.022 35.119 0.000) 46.858 4.077 ( -9.272 15.648 0.000) 18.189 4.260 ( -6.273 -14.503 0.000) 15.802 4.444 ( 24.184 -14.368 0.000) 28.130 4.602 ( 8.056 -5.801 0.000) 9.927 4.682 ( -25.212 19.371 0.000) 31.795 4.792 ( 36.470 18.367 0.000) 40.834 5.257 ( 3.436 11.115 0.000) 11.634 5.713 ( -11.257 6.963 0.000) 13.237 5.717 ( -27.311 -24.798 0.000) 36.889 6.015 ( 9.538 -25.976 0.000) 27.672 6.445 ( -19.627 7.820 0.000) 21.128 6.521 ( 0.228 -20.959 0.000) 20.960 6.695 ( -18.450 -23.985 0.000) 30.260 6.807 ( -10.407 -5.542 0.000) 11.791 7.237 ( -2.441 12.260 0.000) 12.500 7.488 ( -15.444 6.526 0.000) 16.766 7.810 ( 1.541 -10.482 0.000) 10.594 7.880 ( -0.815 -3.501 0.000) 3.594 7.995 ( 12.285 21.233 0.000) 24.530 8.247 ( 8.214 7.647 0.000) 11.222 8.690 ( 0.181 1.902 0.000) 1.910 8.742 ( -10.997 18.705 0.000) 21.699 8.864 ( 13.908 -11.104 0.000) 17.796 8.926 ( 6.912 14.504 0.000) 16.067 9.232 ( -6.116 -4.663 0.000) 7.691 9.295 ( 4.391 -3.047 0.000) 5.344 9.489 ( 1.115 22.606 0.000) 22.633 9.647 ( 1.750 4.777 0.000) 5.088 9.656 ( 13.406 4.503 0.000) 14.142 9.829 ( 7.045 0.667 0.000) 7.077 9.845 ( 11.913 -1.819 0.000) 12.051 9.987 ( 11.162 -6.412 0.000) 12.873 10.038 ( -15.730 -10.129 0.000) 18.709 10.146 ( 11.251 17.216 0.000) 20.566 10.462 ( -4.378 -10.849 0.000) 11.699 10.745 ( -19.491 3.419 0.000) 19.788 10.838 ( 17.959 2.568 0.000) 18.141 11.178 ( -9.499 -7.420 0.000) 12.054 11.189 ( -9.845 -18.547 0.000) 20.998 11.300 ( -4.037 -5.893 0.000) 7.143 11.312 ( -0.885 -4.062 0.000) 4.158 11.479 ( -5.937 -7.780 0.000) 9.786 11.813 ( 0.868 9.286 0.000) 9.327 11.889 ( -9.958 13.008 0.000) 16.382 12.727 ( 6.725 -15.419 0.000) 16.822 13.001 ( 22.622 2.963 0.000) 22.816 13.012 ( 4.680 -11.402 0.000) 12.325 13.072 ( -0.094 -2.349 0.000) 2.351 13.182 ( 0.927 -26.268 0.000) 26.285 13.304 ( -8.502 4.954 0.000) 9.840 13.480 ( 7.239 -15.036 0.000) 16.688 13.654 ( 5.055 14.436 0.000) 15.295 13.690 ( 0.322 2.703 0.000) 2.722 13.779 ( -10.730 2.568 0.000) 11.033 13.805 ( 1.049 8.351 0.000) 8.416 14.023 ( -28.238 -1.556 0.000) 28.281 14.320 ( -3.847 -5.891 0.000) 7.036 14.498 ( -2.748 -9.911 0.000) 10.285 14.898 ( 0.808 12.455 0.000) 12.482 15.006 ( 0.580 -1.586 0.000) 1.689 15.237 ( 4.199 4.391 0.000) 6.076 15.357 ( -5.467 -0.651 0.000) 5.506 15.368 ( 9.049 6.475 0.000) 11.126 15.665 ( -4.702 7.433 0.000) 8.796 15.971 ( 16.957 2.533 0.000) 17.145 16.186 ( 2.707 -4.400 0.000) 5.166 16.236 ( -3.011 10.593 0.000) 11.012 16.423 ( -9.037 -1.934 0.000) 9.242 16.447 ( -5.952 -17.892 0.000) 18.856 16.500 ( -3.777 -8.605 0.000) 9.398 17.068 ( 3.011 5.161 0.000) 5.975 17.214 ( -3.166 1.463 0.000) 3.488 17.330 ( 6.275 -1.219 0.000) 6.393 17.422 ( 9.162 -5.589 0.000) 10.733 17.612 ( 13.088 19.913 0.000) 23.829 18.039 ( -6.729 5.854 0.000) 8.919 18.091 ( -8.724 3.624 0.000) 9.447 18.100 ( -8.046 -4.642 0.000) 9.289 18.506 ( 11.264 9.245 0.000) 14.572 18.806 ( -5.302 15.853 0.000) 16.716 18.910 ( 14.609 -2.031 0.000) 14.749 19.126 ( 3.536 1.784 0.000) 3.960 19.817 ( -10.147 -1.270 0.000) 10.226 19.827 ( -7.902 1.811 0.000) 8.107 20.014 ( 4.064 -4.601 0.000) 6.139 20.224 ( 2.286 -7.927 0.000) 8.250 20.390 ( -7.723 -6.667 0.000) 10.202 20.405 ( -6.681 -2.591 0.000) 7.165 20.480 ( 0.736 -3.654 0.000) 3.727 20.594 ( -2.763 -6.300 0.000) 6.880 25.526 ( 6.123 0.910 0.000) 6.190 25.569 ( 6.995 -0.790 0.000) 7.040 25.643 ( -1.209 3.884 0.000) 4.068 25.752 ( -2.522 -1.712 0.000) 3.048 26.495 ( 5.416 7.863 0.000) 9.548 26.762 ( 1.269 -0.759 0.000) 1.479 26.762 ( -3.403 2.766 0.000) 4.385 26.938 ( -3.347 -2.722 0.000) 4.314 27.546 ( 1.495 13.789 0.000) 13.870 27.595 ( -0.847 9.480 0.000) 9.517 27.966 ( 12.255 -8.487 0.000) 14.907 28.273 ( -2.591 -20.042 0.000) 20.209 29.443 ( -3.997 8.958 0.000) 9.809 29.482 ( -5.261 4.570 0.000) 6.969 29.725 ( 0.207 -7.565 0.000) 7.568 29.734 ( 0.236 -5.691 0.000) 5.696 ======================= Grid point 17 (12/96) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.553 ( -8.113 23.906 0.000) 25.245 3.553 ( 8.113 23.906 0.000) 25.245 3.855 ( -15.771 23.281 0.000) 28.120 3.855 ( 15.771 23.281 0.000) 28.120 4.530 ( -0.947 -8.692 0.000) 8.744 4.530 ( 0.947 -8.692 0.000) 8.744 5.073 ( -28.026 -18.588 0.000) 33.630 5.073 ( 28.026 -18.588 0.000) 33.630 5.442 ( -0.929 7.201 0.000) 7.260 5.442 ( 0.929 7.201 0.000) 7.260 5.735 ( -40.212 18.161 0.000) 44.123 5.735 ( 40.212 18.161 0.000) 44.123 6.334 ( -16.195 -23.840 0.000) 28.821 6.334 ( 16.195 -23.840 0.000) 28.821 6.636 ( -7.796 -15.214 0.000) 17.095 6.636 ( 7.796 -15.214 0.000) 17.095 7.273 ( -6.466 8.520 0.000) 10.696 7.273 ( 6.466 8.520 0.000) 10.696 7.830 ( -1.416 -11.658 0.000) 11.744 7.830 ( 1.416 -11.658 0.000) 11.744 8.312 ( -11.631 23.880 0.000) 26.561 8.312 ( 11.631 23.880 0.000) 26.561 8.552 ( -4.335 14.893 0.000) 15.511 8.552 ( 4.335 14.893 0.000) 15.511 9.041 ( -0.680 4.303 0.000) 4.356 9.041 ( 0.680 4.303 0.000) 4.356 9.238 ( -3.697 -5.898 0.000) 6.961 9.238 ( 3.697 -5.898 0.000) 6.961 9.668 ( -15.052 -10.423 0.000) 18.309 9.668 ( 15.052 -10.423 0.000) 18.309 9.724 ( -4.508 16.312 0.000) 16.923 9.724 ( 4.508 16.312 0.000) 16.923 9.961 ( -2.507 -3.245 0.000) 4.100 9.961 ( 2.507 -3.245 0.000) 4.100 10.282 ( -16.859 -3.884 0.000) 17.300 10.282 ( 16.859 -3.884 0.000) 17.300 10.472 ( -13.752 -4.968 0.000) 14.622 10.472 ( 13.752 -4.968 0.000) 14.622 10.952 ( -1.998 -12.223 0.000) 12.385 10.952 ( 1.998 -12.223 0.000) 12.385 11.203 ( -17.021 0.290 0.000) 17.023 11.203 ( 17.021 0.290 0.000) 17.023 11.346 ( -5.119 -11.487 0.000) 12.576 11.346 ( 5.119 -11.487 0.000) 12.576 11.820 ( -0.701 22.707 0.000) 22.718 11.820 ( 0.701 22.707 0.000) 22.718 12.896 ( -10.647 -14.529 0.000) 18.012 12.896 ( 10.647 -14.529 0.000) 18.012 13.103 ( -5.100 1.068 0.000) 5.210 13.103 ( 5.100 1.068 0.000) 5.210 13.374 ( -10.031 -15.747 0.000) 18.671 13.374 ( 10.031 -15.747 0.000) 18.671 13.517 ( -21.217 0.533 0.000) 21.223 13.517 ( 21.217 0.533 0.000) 21.223 13.700 ( -1.765 -2.823 0.000) 3.329 13.700 ( 1.765 -2.823 0.000) 3.329 13.774 ( -3.256 13.971 0.000) 14.345 13.774 ( 3.256 13.971 0.000) 14.345 14.372 ( -7.256 -2.329 0.000) 7.620 14.372 ( 7.256 -2.329 0.000) 7.620 14.971 ( -4.462 -1.020 0.000) 4.577 14.971 ( 4.462 -1.020 0.000) 4.577 15.285 ( -2.214 1.453 0.000) 2.648 15.285 ( 2.214 1.453 0.000) 2.648 15.545 ( -8.471 7.234 0.000) 11.139 15.545 ( 8.471 7.234 0.000) 11.139 16.235 ( -1.686 7.133 0.000) 7.330 16.235 ( 1.686 7.133 0.000) 7.330 16.291 ( -12.380 0.816 0.000) 12.406 16.291 ( 12.380 0.816 0.000) 12.406 16.337 ( -0.201 -22.123 0.000) 22.124 16.337 ( 0.201 -22.123 0.000) 22.124 17.136 ( -4.268 6.680 0.000) 7.927 17.136 ( 4.268 6.680 0.000) 7.927 17.477 ( -5.053 -6.097 0.000) 7.919 17.477 ( 5.053 -6.097 0.000) 7.919 17.874 ( -12.842 10.215 0.000) 16.409 17.874 ( 12.842 10.215 0.000) 16.409 17.975 ( -0.889 5.770 0.000) 5.839 17.975 ( 0.889 5.770 0.000) 5.839 18.684 ( -7.713 15.119 0.000) 16.973 18.684 ( 7.713 15.119 0.000) 16.973 19.115 ( -5.934 0.169 0.000) 5.936 19.115 ( 5.934 0.169 0.000) 5.936 19.724 ( -0.941 0.002 0.000) 0.941 19.724 ( 0.941 0.002 0.000) 0.941 20.174 ( -10.157 -16.779 0.000) 19.614 20.174 ( 10.157 -16.779 0.000) 19.614 20.307 ( -3.145 1.339 0.000) 3.418 20.307 ( 3.145 1.339 0.000) 3.418 20.529 ( -3.606 -5.008 0.000) 6.171 20.529 ( 3.606 -5.008 0.000) 6.171 25.607 ( -2.810 2.600 0.000) 3.828 25.607 ( 2.810 2.600 0.000) 3.828 25.683 ( -4.875 -1.197 0.000) 5.020 25.683 ( 4.875 -1.197 0.000) 5.020 26.618 ( -7.388 7.532 0.000) 10.550 26.618 ( 7.388 7.532 0.000) 10.550 26.860 ( -4.820 -3.625 0.000) 6.031 26.860 ( 4.820 -3.625 0.000) 6.031 27.574 ( -1.338 12.824 0.000) 12.894 27.574 ( 1.338 12.824 0.000) 12.894 28.170 ( -8.529 -14.981 0.000) 17.238 28.170 ( 8.529 -14.981 0.000) 17.238 29.414 ( -1.290 7.588 0.000) 7.697 29.414 ( 1.290 7.588 0.000) 7.697 29.731 ( -0.387 -7.846 0.000) 7.855 29.731 ( 0.387 -7.846 0.000) 7.855 ======================= Grid point 21 (13/96) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.105 ( 0.000 -49.477 0.000) 49.477 3.105 ( 0.000 49.477 0.000) 49.477 3.355 ( 0.000 -49.203 0.000) 49.203 3.355 ( 0.000 49.203 0.000) 49.203 4.450 ( 0.000 -17.076 0.000) 17.076 4.450 ( 0.000 17.076 0.000) 17.076 4.876 ( 0.000 -47.472 0.000) 47.472 4.876 ( 0.000 47.472 0.000) 47.472 5.385 ( 0.000 -13.342 0.000) 13.342 5.385 ( 0.000 13.342 0.000) 13.342 6.071 ( 0.000 -8.104 0.000) 8.104 6.071 ( 0.000 8.104 0.000) 8.104 6.753 ( 0.000 -0.435 0.000) 0.435 6.753 ( 0.000 0.435 0.000) 0.435 6.989 ( 0.000 -6.376 0.000) 6.376 6.989 ( 0.000 6.376 0.000) 6.376 7.649 ( 0.000 -2.747 0.000) 2.747 7.649 ( 0.000 2.747 0.000) 2.747 7.886 ( 0.000 -17.156 0.000) 17.156 7.886 ( 0.000 17.156 0.000) 17.156 8.074 ( 0.000 -4.958 0.000) 4.958 8.074 ( 0.000 4.958 0.000) 4.958 8.330 ( 0.000 -14.718 0.000) 14.718 8.330 ( 0.000 14.718 0.000) 14.718 8.739 ( 0.000 -5.562 0.000) 5.562 8.739 ( 0.000 5.562 0.000) 5.562 8.914 ( 0.000 -3.490 0.000) 3.490 8.914 ( 0.000 3.490 0.000) 3.490 9.586 ( 0.000 -0.161 0.000) 0.161 9.586 ( 0.000 0.161 0.000) 0.161 9.681 ( 0.000 -6.035 0.000) 6.035 9.681 ( 0.000 6.035 0.000) 6.035 10.297 ( 0.000 -2.149 0.000) 2.149 10.297 ( 0.000 2.149 0.000) 2.149 10.427 ( 0.000 -15.099 0.000) 15.099 10.427 ( 0.000 15.099 0.000) 15.099 10.478 ( 0.000 -8.105 0.000) 8.105 10.478 ( 0.000 8.105 0.000) 8.105 11.099 ( 0.000 -2.859 0.000) 2.859 11.099 ( 0.000 2.859 0.000) 2.859 11.213 ( 0.000 -23.254 0.000) 23.254 11.213 ( 0.000 23.254 0.000) 23.254 11.390 ( 0.000 -6.756 0.000) 6.756 11.390 ( 0.000 6.756 0.000) 6.756 12.224 ( 0.000 -12.153 0.000) 12.153 12.224 ( 0.000 12.153 0.000) 12.153 12.244 ( 0.000 -28.792 0.000) 28.792 12.244 ( 0.000 28.792 0.000) 28.792 12.534 ( 0.000 -14.789 0.000) 14.789 12.534 ( 0.000 14.789 0.000) 14.789 13.108 ( 0.000 -0.037 0.000) 0.037 13.108 ( 0.000 0.037 0.000) 0.037 13.709 ( 0.000 -5.667 0.000) 5.667 13.709 ( 0.000 5.667 0.000) 5.667 13.809 ( 0.000 -18.109 0.000) 18.109 13.809 ( 0.000 18.109 0.000) 18.109 14.183 ( 0.000 -10.228 0.000) 10.228 14.183 ( 0.000 10.228 0.000) 10.228 14.546 ( 0.000 -3.116 0.000) 3.116 14.546 ( 0.000 3.116 0.000) 3.116 14.912 ( 0.000 -14.816 0.000) 14.816 14.912 ( 0.000 14.816 0.000) 14.816 15.482 ( 0.000 -8.390 0.000) 8.390 15.482 ( 0.000 8.390 0.000) 8.390 15.760 ( 0.000 -3.832 0.000) 3.832 15.760 ( 0.000 3.832 0.000) 3.832 16.065 ( 0.000 -10.361 0.000) 10.361 16.065 ( 0.000 10.361 0.000) 10.361 16.105 ( 0.000 -8.797 0.000) 8.797 16.105 ( 0.000 8.797 0.000) 8.797 16.586 ( 0.000 -8.980 0.000) 8.980 16.586 ( 0.000 8.980 0.000) 8.980 17.067 ( 0.000 -15.991 0.000) 15.991 17.067 ( 0.000 15.991 0.000) 15.991 17.252 ( 0.000 -5.512 0.000) 5.512 17.252 ( 0.000 5.512 0.000) 5.512 17.847 ( 0.000 -27.777 0.000) 27.777 17.847 ( 0.000 27.777 0.000) 27.777 18.178 ( 0.000 -2.911 0.000) 2.911 18.178 ( 0.000 2.911 0.000) 2.911 18.260 ( 0.000 -2.530 0.000) 2.530 18.260 ( 0.000 2.530 0.000) 2.530 19.063 ( 0.000 -1.278 0.000) 1.278 19.063 ( 0.000 1.278 0.000) 1.278 20.044 ( 0.000 -4.431 0.000) 4.431 20.044 ( 0.000 4.431 0.000) 4.431 20.307 ( 0.000 -12.958 0.000) 12.958 20.307 ( 0.000 12.958 0.000) 12.958 20.492 ( 0.000 -2.075 0.000) 2.075 20.492 ( 0.000 2.075 0.000) 2.075 20.517 ( 0.000 -5.761 0.000) 5.761 20.517 ( 0.000 5.761 0.000) 5.761 25.325 ( 0.000 -0.070 0.000) 0.070 25.325 ( 0.000 0.070 0.000) 0.070 25.742 ( 0.000 -3.229 0.000) 3.229 25.742 ( 0.000 3.229 0.000) 3.229 26.534 ( 0.000 -6.575 0.000) 6.575 26.534 ( 0.000 6.575 0.000) 6.575 26.970 ( 0.000 -1.608 0.000) 1.608 26.970 ( 0.000 1.608 0.000) 1.608 27.625 ( 0.000 -0.328 0.000) 0.328 27.625 ( 0.000 0.328 0.000) 0.328 27.858 ( 0.000 -20.487 0.000) 20.487 27.858 ( 0.000 20.487 0.000) 20.487 29.670 ( 0.000 -1.449 0.000) 1.449 29.670 ( 0.000 1.449 0.000) 1.449 29.682 ( 0.000 -2.191 0.000) 2.191 29.682 ( 0.000 2.191 0.000) 2.191 ======================= Grid point 23 (14/96) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.304 ( 19.573 -45.234 0.000) 49.287 3.304 ( 19.573 45.234 0.000) 49.287 3.469 ( 11.417 -44.806 0.000) 46.237 3.469 ( 11.417 44.806 0.000) 46.237 4.445 ( -1.081 -11.382 0.000) 11.433 4.445 ( -1.081 11.382 0.000) 11.433 5.047 ( 17.930 -48.030 0.000) 51.267 5.047 ( 17.930 48.030 0.000) 51.267 5.414 ( 2.766 -13.310 0.000) 13.595 5.414 ( 2.766 13.310 0.000) 13.595 5.788 ( -25.039 -19.933 0.000) 32.004 5.788 ( -25.039 19.933 0.000) 32.004 6.767 ( -20.687 -10.344 0.000) 23.129 6.767 ( -20.687 10.344 0.000) 23.129 6.775 ( -1.199 -9.129 0.000) 9.207 6.775 ( -1.199 9.129 0.000) 9.207 7.584 ( -4.001 -11.364 0.000) 12.047 7.584 ( -4.001 11.364 0.000) 12.047 7.892 ( -5.855 -9.536 0.000) 11.191 7.892 ( -5.855 9.536 0.000) 11.191 8.235 ( 13.036 -11.115 0.000) 17.131 8.235 ( 13.036 11.115 0.000) 17.131 8.246 ( 3.803 -19.975 0.000) 20.334 8.246 ( 3.803 19.975 0.000) 20.334 8.971 ( 16.275 -12.282 0.000) 20.390 8.971 ( 16.275 12.282 0.000) 20.390 9.042 ( 9.864 -4.345 0.000) 10.778 9.042 ( 9.864 4.345 0.000) 10.778 9.634 ( 4.751 -3.510 0.000) 5.907 9.634 ( 4.751 3.510 0.000) 5.907 9.644 ( -1.203 -3.774 0.000) 3.961 9.644 ( -1.203 3.774 0.000) 3.961 10.119 ( -16.944 -12.228 0.000) 20.896 10.119 ( -16.944 12.228 0.000) 20.896 10.297 ( -10.850 -22.990 0.000) 25.421 10.297 ( -10.850 22.990 0.000) 25.421 10.536 ( 7.139 -10.562 0.000) 12.748 10.536 ( 7.139 10.562 0.000) 12.748 11.153 ( -6.246 -18.621 0.000) 19.640 11.153 ( -6.246 18.621 0.000) 19.640 11.194 ( -11.292 -9.292 0.000) 14.624 11.194 ( -11.292 9.292 0.000) 14.624 11.288 ( 7.562 -8.541 0.000) 11.407 11.288 ( 7.562 8.541 0.000) 11.407 12.203 ( -0.184 -26.973 0.000) 26.974 12.203 ( -0.184 26.973 0.000) 26.974 12.284 ( 4.659 -23.064 0.000) 23.530 12.284 ( 4.659 23.064 0.000) 23.530 12.778 ( 19.977 -16.667 0.000) 26.017 12.778 ( 19.977 16.667 0.000) 26.017 13.075 ( -2.274 -0.489 0.000) 2.326 13.075 ( -2.274 0.489 0.000) 2.326 13.737 ( -8.914 -10.254 0.000) 13.587 13.737 ( -8.914 10.254 0.000) 13.587 13.771 ( 5.504 -5.642 0.000) 7.882 13.771 ( 5.504 5.642 0.000) 7.882 14.128 ( -2.405 -11.312 0.000) 11.565 14.128 ( -2.405 11.312 0.000) 11.565 14.445 ( -12.558 -1.291 0.000) 12.624 14.445 ( -12.558 1.291 0.000) 12.624 15.029 ( 9.355 -10.220 0.000) 13.855 15.029 ( 9.355 10.220 0.000) 13.855 15.253 ( -12.756 -13.554 0.000) 18.612 15.253 ( -12.756 13.554 0.000) 18.612 15.717 ( -2.748 -18.664 0.000) 18.865 15.717 ( -2.748 18.664 0.000) 18.865 16.132 ( -1.740 -17.770 0.000) 17.855 16.132 ( -1.740 17.770 0.000) 17.855 16.152 ( 3.896 -11.772 0.000) 12.400 16.152 ( 3.896 11.772 0.000) 12.400 16.564 ( -1.709 -6.210 0.000) 6.441 16.564 ( -1.709 6.210 0.000) 6.441 17.101 ( 4.919 -12.857 0.000) 13.766 17.101 ( 4.919 12.857 0.000) 13.766 17.249 ( 0.084 -3.998 0.000) 3.999 17.249 ( 0.084 3.998 0.000) 3.999 17.885 ( 3.114 -21.700 0.000) 21.922 17.885 ( 3.114 21.700 0.000) 21.922 18.216 ( -4.304 -2.133 0.000) 4.804 18.216 ( -4.304 2.133 0.000) 4.804 18.367 ( 17.765 -6.005 0.000) 18.752 18.367 ( 17.765 6.005 0.000) 18.752 19.071 ( 0.505 -3.811 0.000) 3.845 19.071 ( 0.505 3.811 0.000) 3.845 20.034 ( -1.368 -7.099 0.000) 7.229 20.034 ( -1.368 7.099 0.000) 7.229 20.149 ( -14.384 -3.394 0.000) 14.779 20.149 ( -14.384 3.394 0.000) 14.779 20.455 ( -3.382 -1.465 0.000) 3.685 20.455 ( -3.382 1.465 0.000) 3.685 20.501 ( -1.713 -2.229 0.000) 2.811 20.501 ( -1.713 2.229 0.000) 2.811 25.404 ( 7.253 -0.860 0.000) 7.304 25.404 ( 7.253 0.860 0.000) 7.304 25.735 ( -0.854 -3.120 0.000) 3.235 25.735 ( -0.854 3.120 0.000) 3.235 26.565 ( 3.244 -6.945 0.000) 7.665 26.565 ( 3.244 6.945 0.000) 7.665 26.941 ( -2.899 -2.579 0.000) 3.880 26.941 ( -2.899 2.579 0.000) 3.880 27.677 ( 4.997 -3.451 0.000) 6.073 27.677 ( 4.997 3.451 0.000) 6.073 27.867 ( 0.797 -20.284 0.000) 20.300 27.867 ( 0.797 20.284 0.000) 20.300 29.649 ( -3.077 -3.459 0.000) 4.630 29.649 ( -3.077 3.459 0.000) 4.630 29.650 ( -1.984 -4.361 0.000) 4.791 29.650 ( -1.984 4.361 0.000) 4.791 ======================= Grid point 25 (15/96) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.741 ( 15.705 -33.002 0.000) 36.548 3.741 ( 15.705 33.002 0.000) 36.548 3.756 ( 24.786 -35.277 0.000) 43.114 3.756 ( 24.786 35.277 0.000) 43.114 4.410 ( -1.071 -10.418 0.000) 10.473 4.410 ( -1.071 10.418 0.000) 10.473 5.191 ( -31.037 -27.186 0.000) 41.260 5.191 ( -31.037 27.186 0.000) 41.260 5.501 ( 26.894 -33.046 0.000) 42.606 5.501 ( 26.894 33.046 0.000) 42.606 5.557 ( 7.437 -19.126 0.000) 20.521 5.557 ( 7.437 19.126 0.000) 20.521 6.341 ( -20.691 -10.065 0.000) 23.009 6.341 ( -20.691 10.065 0.000) 23.009 6.635 ( -14.308 -10.230 0.000) 17.588 6.635 ( -14.308 10.230 0.000) 17.588 7.531 ( -1.454 -16.038 0.000) 16.103 7.531 ( -1.454 16.038 0.000) 16.103 7.686 ( -11.146 -11.300 0.000) 15.872 7.686 ( -11.146 11.300 0.000) 15.872 8.500 ( 17.489 -21.474 0.000) 27.695 8.500 ( 17.489 21.474 0.000) 27.695 8.507 ( 15.545 -17.384 0.000) 23.321 8.507 ( 15.545 17.384 0.000) 23.321 9.094 ( -5.620 -14.044 0.000) 15.126 9.094 ( -5.620 14.044 0.000) 15.126 9.152 ( -2.045 -6.750 0.000) 7.052 9.152 ( -2.045 6.750 0.000) 7.052 9.706 ( 0.899 -8.675 0.000) 8.721 9.706 ( 0.899 8.675 0.000) 8.721 9.762 ( 12.267 -4.687 0.000) 13.132 9.762 ( 12.267 4.687 0.000) 13.132 9.894 ( 1.221 -4.967 0.000) 5.115 9.894 ( 1.221 4.967 0.000) 5.115 10.078 ( -11.425 -28.030 0.000) 30.269 10.078 ( -11.425 28.030 0.000) 30.269 10.703 ( 6.268 -23.208 0.000) 24.039 10.703 ( 6.268 23.208 0.000) 24.039 10.877 ( -16.489 -10.537 0.000) 19.569 10.877 ( -16.489 10.537 0.000) 19.569 11.028 ( -2.456 -5.106 0.000) 5.666 11.028 ( -2.456 5.106 0.000) 5.666 11.384 ( -3.261 -4.101 0.000) 5.239 11.384 ( -3.261 4.101 0.000) 5.239 12.276 ( 7.212 -27.350 0.000) 28.285 12.276 ( 7.212 27.350 0.000) 28.285 12.385 ( 5.824 -34.260 0.000) 34.752 12.385 ( 5.824 34.260 0.000) 34.752 13.055 ( 0.703 -0.804 0.000) 1.068 13.055 ( 0.703 0.804 0.000) 1.068 13.161 ( 17.930 -11.896 0.000) 21.517 13.161 ( 17.930 11.896 0.000) 21.517 13.492 ( -13.879 -10.233 0.000) 17.243 13.492 ( -13.879 10.233 0.000) 17.243 13.826 ( -5.062 -4.647 0.000) 6.871 13.826 ( -5.062 4.647 0.000) 6.871 14.134 ( 1.729 -21.243 0.000) 21.314 14.134 ( 1.729 21.243 0.000) 21.314 14.158 ( -9.521 -11.392 0.000) 14.847 14.158 ( -9.521 11.392 0.000) 14.847 15.142 ( -1.272 -13.306 0.000) 13.367 15.142 ( -1.272 13.306 0.000) 13.367 15.149 ( 1.824 -9.840 0.000) 10.008 15.149 ( 1.824 9.840 0.000) 10.008 15.734 ( 5.543 -23.558 0.000) 24.201 15.734 ( 5.543 23.558 0.000) 24.201 16.007 ( -7.999 -20.206 0.000) 21.732 16.007 ( -7.999 20.206 0.000) 21.732 16.222 ( 3.487 -7.581 0.000) 8.345 16.222 ( 3.487 7.581 0.000) 8.345 16.472 ( -8.066 -2.650 0.000) 8.490 16.472 ( -8.066 2.650 0.000) 8.490 17.239 ( 7.300 -10.871 0.000) 13.094 17.239 ( 7.300 10.871 0.000) 13.094 17.270 ( 2.260 -3.875 0.000) 4.486 17.270 ( 2.260 3.875 0.000) 4.486 17.941 ( 2.772 -12.198 0.000) 12.509 17.941 ( 2.772 12.198 0.000) 12.509 18.114 ( -6.085 -1.497 0.000) 6.266 18.114 ( -6.085 1.497 0.000) 6.266 18.734 ( 18.227 -12.758 0.000) 22.248 18.734 ( 18.227 12.758 0.000) 22.248 19.064 ( -1.712 -8.726 0.000) 8.893 19.064 ( -1.712 8.726 0.000) 8.893 19.892 ( -9.479 -7.232 0.000) 11.923 19.892 ( -9.479 7.232 0.000) 11.923 19.972 ( -5.621 -12.576 0.000) 13.775 19.972 ( -5.621 12.576 0.000) 13.775 20.398 ( -1.662 -3.973 0.000) 4.306 20.398 ( -1.662 3.973 0.000) 4.306 20.456 ( -2.809 -6.431 0.000) 7.018 20.456 ( -2.809 6.431 0.000) 7.018 25.547 ( 6.931 -1.207 0.000) 7.036 25.547 ( 6.931 1.207 0.000) 7.036 25.708 ( -2.050 -2.705 0.000) 3.394 25.708 ( -2.050 2.705 0.000) 3.394 26.649 ( 5.383 -7.202 0.000) 8.991 26.649 ( 5.383 7.202 0.000) 8.991 26.865 ( -5.039 -4.541 0.000) 6.783 26.865 ( -5.039 4.541 0.000) 6.783 27.784 ( 5.505 -9.551 0.000) 11.024 27.784 ( 5.505 9.551 0.000) 11.024 27.880 ( 0.231 -19.104 0.000) 19.105 27.880 ( 0.231 19.104 0.000) 19.105 29.590 ( -2.440 -6.155 0.000) 6.620 29.590 ( -2.440 6.155 0.000) 6.620 29.604 ( -2.481 -7.387 0.000) 7.793 29.604 ( -2.481 7.387 0.000) 7.793 ======================= Grid point 27 (16/96) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -5.435 -14.605 0.000) 15.584 3.976 ( 5.435 -14.605 0.000) 15.584 3.976 ( -5.435 14.605 0.000) 15.584 3.976 ( 5.435 14.605 0.000) 15.584 4.615 ( -25.932 -20.770 0.000) 33.224 4.615 ( 25.932 -20.770 0.000) 33.224 4.615 ( -25.932 20.770 0.000) 33.224 4.615 ( 25.932 20.770 0.000) 33.224 5.744 ( -7.800 -18.473 0.000) 20.052 5.744 ( 7.800 -18.473 0.000) 20.052 5.744 ( -7.800 18.473 0.000) 20.052 5.744 ( 7.800 18.473 0.000) 20.052 6.274 ( -18.642 -18.710 0.000) 26.412 6.274 ( 18.642 -18.710 0.000) 26.412 6.274 ( -18.642 18.710 0.000) 26.412 6.274 ( 18.642 18.710 0.000) 26.412 7.545 ( -3.599 -15.963 0.000) 16.364 7.545 ( 3.599 -15.963 0.000) 16.364 7.545 ( -3.599 15.963 0.000) 16.364 7.545 ( 3.599 15.963 0.000) 16.364 8.745 ( -0.113 -11.964 0.000) 11.965 8.745 ( 0.113 -11.964 0.000) 11.965 8.745 ( -0.113 11.964 0.000) 11.965 8.745 ( 0.113 11.964 0.000) 11.965 8.976 ( -3.332 -11.146 0.000) 11.633 8.976 ( 3.332 -11.146 0.000) 11.633 8.976 ( -3.332 11.146 0.000) 11.633 8.976 ( 3.332 11.146 0.000) 11.633 9.809 ( -8.575 -13.090 0.000) 15.649 9.809 ( 8.575 -13.090 0.000) 15.649 9.809 ( -8.575 13.090 0.000) 15.649 9.809 ( 8.575 13.090 0.000) 15.649 9.983 ( -1.093 -12.517 0.000) 12.565 9.983 ( 1.093 -12.517 0.000) 12.565 9.983 ( -1.093 12.517 0.000) 12.565 9.983 ( 1.093 12.517 0.000) 12.565 10.691 ( -0.625 -16.857 0.000) 16.869 10.691 ( 0.625 -16.857 0.000) 16.869 10.691 ( -0.625 16.857 0.000) 16.869 10.691 ( 0.625 16.857 0.000) 16.869 11.191 ( -14.131 -1.546 0.000) 14.216 11.191 ( -14.131 1.546 0.000) 14.216 11.191 ( 14.131 -1.546 0.000) 14.216 11.191 ( 14.131 1.546 0.000) 14.216 12.413 ( -4.631 -31.564 0.000) 31.902 12.413 ( 4.631 -31.564 0.000) 31.902 12.413 ( -4.631 31.564 0.000) 31.902 12.413 ( 4.631 31.564 0.000) 31.902 13.158 ( -10.721 -5.329 0.000) 11.972 13.158 ( -10.721 5.329 0.000) 11.972 13.158 ( 10.721 -5.329 0.000) 11.972 13.158 ( 10.721 5.329 0.000) 11.972 13.567 ( -16.531 -5.632 0.000) 17.464 13.567 ( -16.531 5.632 0.000) 17.464 13.567 ( 16.531 -5.632 0.000) 17.464 13.567 ( 16.531 5.632 0.000) 17.464 14.142 ( -1.477 -18.382 0.000) 18.441 14.142 ( 1.477 -18.382 0.000) 18.441 14.142 ( -1.477 18.382 0.000) 18.441 14.142 ( 1.477 18.382 0.000) 18.441 15.140 ( -0.826 -12.773 0.000) 12.800 15.140 ( 0.826 -12.773 0.000) 12.800 15.140 ( -0.826 12.773 0.000) 12.800 15.140 ( 0.826 12.773 0.000) 12.800 15.872 ( -7.156 -22.264 0.000) 23.386 15.872 ( 7.156 -22.264 0.000) 23.386 15.872 ( -7.156 22.264 0.000) 23.386 15.872 ( 7.156 22.264 0.000) 23.386 16.314 ( -7.106 -1.309 0.000) 7.225 16.314 ( -7.106 1.309 0.000) 7.225 16.314 ( 7.106 -1.309 0.000) 7.225 16.314 ( 7.106 1.309 0.000) 7.225 17.308 ( -0.264 -9.760 0.000) 9.763 17.308 ( 0.264 -9.760 0.000) 9.763 17.308 ( -0.264 9.760 0.000) 9.763 17.308 ( 0.264 9.760 0.000) 9.763 18.007 ( -4.696 -2.668 0.000) 5.401 18.007 ( 4.696 -2.668 0.000) 5.401 18.007 ( -4.696 2.668 0.000) 5.401 18.007 ( 4.696 2.668 0.000) 5.401 18.983 ( -7.837 -12.953 0.000) 15.140 18.983 ( 7.837 -12.953 0.000) 15.140 18.983 ( -7.837 12.953 0.000) 15.140 18.983 ( 7.837 12.953 0.000) 15.140 19.853 ( -4.562 -13.051 0.000) 13.825 19.853 ( 4.562 -13.051 0.000) 13.825 19.853 ( -4.562 13.051 0.000) 13.825 19.853 ( 4.562 13.051 0.000) 13.825 20.406 ( -2.098 -6.688 0.000) 7.010 20.406 ( 2.098 -6.688 0.000) 7.010 20.406 ( -2.098 6.688 0.000) 7.010 20.406 ( 2.098 6.688 0.000) 7.010 25.652 ( -4.114 -1.922 0.000) 4.540 25.652 ( -4.114 1.922 0.000) 4.540 25.652 ( 4.114 -1.922 0.000) 4.540 25.652 ( 4.114 1.922 0.000) 4.540 26.759 ( -5.961 -6.371 0.000) 8.725 26.759 ( 5.961 -6.371 0.000) 8.725 26.759 ( -5.961 6.371 0.000) 8.725 26.759 ( 5.961 6.371 0.000) 8.725 27.862 ( -2.442 -15.609 0.000) 15.799 27.862 ( 2.442 -15.609 0.000) 15.799 27.862 ( -2.442 15.609 0.000) 15.799 27.862 ( 2.442 15.609 0.000) 15.799 29.572 ( -0.577 -8.138 0.000) 8.158 29.572 ( 0.577 -8.138 0.000) 8.158 29.572 ( -0.577 8.138 0.000) 8.158 29.572 ( 0.577 8.138 0.000) 8.158 ======================= Grid point 49 (17/96) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 0.000 0.000 58.227) 58.227 1.145 ( 0.000 0.000 58.401) 58.401 1.674 ( 0.000 0.000 84.149) 84.149 4.486 ( 0.000 0.000 13.193) 13.193 4.817 ( 0.000 0.000 12.641) 12.641 4.988 ( 0.000 0.000 9.134) 9.134 5.197 ( 0.000 0.000 2.104) 2.104 5.219 ( 0.000 0.000 11.206) 11.206 5.443 ( 0.000 0.000 2.949) 2.949 5.508 ( 0.000 0.000 0.885) 0.885 6.036 ( 0.000 0.000 -15.257) 15.257 6.755 ( 0.000 0.000 -11.942) 11.942 6.862 ( 0.000 0.000 6.990) 6.990 6.974 ( 0.000 0.000 5.362) 5.362 7.000 ( 0.000 0.000 -1.354) 1.354 7.146 ( 0.000 0.000 1.283) 1.283 7.421 ( 0.000 0.000 -1.909) 1.909 7.779 ( 0.000 0.000 3.653) 3.653 7.780 ( 0.000 0.000 2.518) 2.518 8.107 ( 0.000 0.000 -8.121) 8.121 8.109 ( 0.000 0.000 10.293) 10.293 8.162 ( 0.000 0.000 -4.477) 4.477 8.258 ( 0.000 0.000 -13.240) 13.240 8.457 ( 0.000 0.000 1.827) 1.827 8.504 ( 0.000 0.000 3.339) 3.339 8.528 ( 0.000 0.000 -2.013) 2.013 8.792 ( 0.000 0.000 -1.096) 1.096 8.821 ( 0.000 0.000 0.653) 0.653 8.860 ( 0.000 0.000 -1.251) 1.251 9.268 ( 0.000 0.000 14.876) 14.876 9.408 ( 0.000 0.000 -6.357) 6.357 9.509 ( 0.000 0.000 -4.854) 4.854 9.527 ( 0.000 0.000 -2.316) 2.316 9.934 ( 0.000 0.000 0.868) 0.868 10.152 ( 0.000 0.000 -0.118) 0.118 10.197 ( 0.000 0.000 -7.594) 7.594 10.394 ( 0.000 0.000 -10.848) 10.848 10.797 ( 0.000 0.000 -12.726) 12.726 10.813 ( 0.000 0.000 -2.720) 2.720 10.886 ( 0.000 0.000 13.978) 13.978 11.137 ( 0.000 0.000 2.570) 2.570 11.141 ( 0.000 0.000 11.389) 11.389 11.538 ( 0.000 0.000 -1.793) 1.793 12.129 ( 0.000 0.000 -10.229) 10.229 12.508 ( 0.000 0.000 30.841) 30.841 12.712 ( 0.000 0.000 10.410) 10.410 12.948 ( 0.000 0.000 -5.145) 5.145 12.954 ( 0.000 0.000 -5.989) 5.989 12.961 ( 0.000 0.000 -7.228) 7.228 13.043 ( 0.000 0.000 -14.141) 14.141 13.426 ( 0.000 0.000 -23.156) 23.156 13.470 ( 0.000 0.000 -4.431) 4.431 13.480 ( 0.000 0.000 -19.853) 19.853 13.529 ( 0.000 0.000 -8.042) 8.042 13.957 ( 0.000 0.000 -19.966) 19.966 13.959 ( 0.000 0.000 -22.646) 22.646 14.226 ( 0.000 0.000 13.866) 13.866 14.335 ( 0.000 0.000 -12.836) 12.836 14.406 ( 0.000 0.000 3.635) 3.635 14.558 ( 0.000 0.000 28.109) 28.109 14.567 ( 0.000 0.000 -2.174) 2.174 14.769 ( 0.000 0.000 10.738) 10.738 15.004 ( 0.000 0.000 -11.834) 11.834 15.226 ( 0.000 0.000 16.187) 16.187 15.488 ( 0.000 0.000 -15.439) 15.439 15.577 ( 0.000 0.000 1.481) 1.481 15.590 ( 0.000 0.000 -15.640) 15.640 15.949 ( 0.000 0.000 9.540) 9.540 16.252 ( 0.000 0.000 15.495) 15.495 16.319 ( 0.000 0.000 -4.641) 4.641 16.413 ( 0.000 0.000 -2.142) 2.142 16.778 ( 0.000 0.000 18.330) 18.330 17.125 ( 0.000 0.000 13.158) 13.158 17.318 ( 0.000 0.000 -9.502) 9.502 17.361 ( 0.000 0.000 -3.550) 3.550 17.569 ( 0.000 0.000 24.170) 24.170 17.624 ( 0.000 0.000 -3.310) 3.310 17.790 ( 0.000 0.000 -4.069) 4.069 17.835 ( 0.000 0.000 3.126) 3.126 18.214 ( 0.000 0.000 0.232) 0.232 18.369 ( 0.000 0.000 4.721) 4.721 18.557 ( 0.000 0.000 4.611) 4.611 18.667 ( 0.000 0.000 9.039) 9.039 18.846 ( 0.000 0.000 -1.862) 1.862 19.751 ( 0.000 0.000 1.389) 1.389 19.820 ( 0.000 0.000 -25.620) 25.620 19.908 ( 0.000 0.000 -2.125) 2.125 20.237 ( 0.000 0.000 -2.972) 2.972 20.332 ( 0.000 0.000 -5.368) 5.368 20.842 ( 0.000 0.000 7.884) 7.884 20.896 ( 0.000 0.000 -2.011) 2.011 20.958 ( 0.000 0.000 12.598) 12.598 25.346 ( 0.000 0.000 2.156) 2.156 25.349 ( 0.000 0.000 1.791) 1.791 25.527 ( 0.000 0.000 2.495) 2.495 25.538 ( 0.000 0.000 2.153) 2.153 26.018 ( 0.000 0.000 -9.640) 9.640 26.463 ( 0.000 0.000 -17.246) 17.246 26.790 ( 0.000 0.000 -7.868) 7.868 26.979 ( 0.000 0.000 -4.441) 4.441 27.195 ( 0.000 0.000 -2.985) 2.985 27.680 ( 0.000 0.000 3.254) 3.254 27.977 ( 0.000 0.000 20.350) 20.350 28.768 ( 0.000 0.000 -0.351) 0.351 28.862 ( 0.000 0.000 -3.765) 3.765 29.511 ( 0.000 0.000 -6.994) 6.994 29.727 ( 0.000 0.000 4.469) 4.469 30.766 ( 0.000 0.000 -3.836) 3.836 ======================= Grid point 50 (18/96) ======================= q-point: ( 0.17 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 35.384 0.000 34.318) 49.292 1.510 ( 33.852 0.000 42.708) 54.497 2.541 ( 65.713 0.000 59.109) 88.386 4.422 ( -7.338 0.000 12.508) 14.501 4.734 ( -39.169 0.000 3.909) 39.363 4.825 ( 0.806 0.000 12.311) 12.337 4.974 ( -2.084 0.000 8.694) 8.941 5.186 ( -1.480 0.000 13.188) 13.271 5.299 ( 7.226 0.000 4.825) 8.688 5.767 ( -23.723 0.000 -9.078) 25.400 6.097 ( 30.767 0.000 -1.103) 30.787 6.738 ( -14.032 0.000 -5.166) 14.953 6.740 ( -8.774 0.000 5.950) 10.601 6.831 ( -2.256 0.000 -8.191) 8.496 6.990 ( -4.265 0.000 1.322) 4.466 7.145 ( -0.899 0.000 1.256) 1.545 7.327 ( -12.579 0.000 -2.766) 12.879 7.753 ( -0.026 0.000 -1.483) 1.483 7.787 ( 2.289 0.000 5.398) 5.863 8.046 ( -14.409 0.000 -7.180) 16.099 8.108 ( -1.546 0.000 9.043) 9.174 8.195 ( -1.082 0.000 -1.104) 1.545 8.259 ( 10.814 0.000 -7.943) 13.418 8.461 ( 0.912 0.000 0.608) 1.096 8.484 ( -1.935 0.000 1.912) 2.720 8.581 ( 3.494 0.000 -2.811) 4.485 8.894 ( -1.521 0.000 1.562) 2.181 8.926 ( 6.924 0.000 -4.166) 8.081 9.102 ( 20.742 0.000 -2.719) 20.920 9.252 ( 6.491 0.000 1.965) 6.782 9.505 ( -5.148 0.000 1.162) 5.278 9.557 ( 10.183 0.000 0.414) 10.191 9.557 ( 5.625 0.000 -4.535) 7.225 9.752 ( 2.623 0.000 -5.787) 6.353 10.219 ( 7.268 0.000 1.081) 7.348 10.262 ( 3.393 0.000 7.965) 8.657 10.343 ( -3.581 0.000 -8.853) 9.550 10.738 ( -7.554 0.000 -2.531) 7.966 10.789 ( -2.871 0.000 -3.964) 4.895 11.038 ( 13.657 0.000 11.191) 17.656 11.039 ( -6.122 0.000 -9.597) 11.384 11.347 ( 7.672 0.000 -7.741) 10.899 11.716 ( 19.885 0.000 1.828) 19.969 12.079 ( -6.711 0.000 -4.319) 7.980 12.446 ( -9.045 0.000 15.733) 18.147 12.571 ( -10.356 0.000 1.930) 10.534 12.731 ( -10.035 0.000 9.883) 14.085 12.939 ( -7.061 0.000 -20.887) 22.048 12.964 ( -10.425 0.000 0.922) 10.466 13.059 ( 5.267 0.000 -1.804) 5.567 13.225 ( -14.771 0.000 -13.567) 20.056 13.388 ( 3.653 0.000 -20.381) 20.705 13.415 ( -3.879 0.000 -12.595) 13.178 13.489 ( -10.306 0.000 -4.888) 11.406 13.874 ( -15.804 0.000 0.276) 15.806 14.021 ( 4.098 0.000 -1.880) 4.509 14.224 ( 10.363 0.000 -11.314) 15.343 14.283 ( -1.501 0.000 -3.266) 3.594 14.440 ( 1.318 0.000 17.222) 17.272 14.617 ( 13.982 0.000 0.114) 13.982 14.638 ( -26.912 0.000 -13.643) 30.172 14.803 ( -4.098 0.000 3.346) 5.291 14.846 ( 4.138 0.000 -2.994) 5.108 15.266 ( 6.877 0.000 20.816) 21.922 15.390 ( -2.355 0.000 16.527) 16.694 15.474 ( -2.056 0.000 -5.205) 5.596 15.770 ( 8.420 0.000 -3.665) 9.183 15.833 ( 24.676 0.000 -9.316) 26.375 16.068 ( -11.555 0.000 -6.633) 13.323 16.449 ( 3.162 0.000 -2.669) 4.138 16.713 ( -6.375 0.000 16.625) 17.805 16.814 ( 22.118 0.000 11.145) 24.768 17.187 ( 7.144 0.000 16.009) 17.531 17.268 ( -5.728 0.000 1.080) 5.829 17.294 ( -7.360 0.000 -3.361) 8.091 17.466 ( -13.280 0.000 3.864) 13.830 17.489 ( -2.145 0.000 22.799) 22.900 18.020 ( 16.153 0.000 -23.139) 28.219 18.115 ( -15.330 0.000 4.062) 15.859 18.221 ( -1.905 0.000 -0.429) 1.953 18.225 ( 18.789 0.000 -4.850) 19.405 18.354 ( -12.425 0.000 6.561) 14.051 18.729 ( -11.912 0.000 4.614) 12.774 18.876 ( 12.765 0.000 5.931) 14.076 19.738 ( -4.599 0.000 -16.172) 16.813 19.962 ( 2.012 0.000 -3.528) 4.062 20.023 ( 15.966 0.000 -9.563) 18.611 20.274 ( 4.182 0.000 -5.034) 6.545 20.330 ( -0.394 0.000 -5.985) 5.997 20.752 ( -7.156 0.000 2.634) 7.626 20.864 ( -2.148 0.000 6.218) 6.578 20.907 ( -5.269 0.000 11.089) 12.277 25.379 ( 7.013 0.000 -1.597) 7.193 25.528 ( 0.075 0.000 2.476) 2.477 25.537 ( -0.069 0.000 2.179) 2.180 25.610 ( 11.694 0.000 -7.655) 13.976 26.069 ( 5.016 0.000 -11.361) 12.419 26.470 ( 0.246 0.000 -17.109) 17.111 26.771 ( -1.453 0.000 -3.802) 4.070 26.958 ( -2.155 0.000 -5.400) 5.814 27.211 ( 1.866 0.000 -2.350) 3.001 27.612 ( -9.969 0.000 10.102) 14.193 27.955 ( 8.087 0.000 12.206) 14.642 28.873 ( 2.315 0.000 -10.550) 10.801 28.902 ( 4.145 0.000 -3.978) 5.745 29.463 ( -4.876 0.000 -6.770) 8.343 29.790 ( 5.655 0.000 3.959) 6.903 30.474 ( -19.168 0.000 14.395) 23.971 ======================= Grid point 51 (19/96) ======================= q-point: ( 0.33 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( 51.605 0.000 9.886) 52.543 2.266 ( 43.689 0.000 25.707) 50.691 3.636 ( 22.801 0.000 24.405) 33.399 3.949 ( -43.318 0.000 8.839) 44.211 4.310 ( 16.458 0.000 18.669) 24.888 4.848 ( 1.657 0.000 11.415) 11.534 4.931 ( -2.410 0.000 9.220) 9.529 5.170 ( -2.305 0.000 10.761) 11.005 5.378 ( -10.203 0.000 4.303) 11.073 5.509 ( 14.786 0.000 3.823) 15.272 6.296 ( -24.381 0.000 -0.316) 24.383 6.473 ( -25.820 0.000 17.895) 31.415 6.643 ( 24.720 0.000 -0.656) 24.728 6.855 ( -7.482 0.000 -4.131) 8.547 6.934 ( 8.604 0.000 -11.232) 14.148 6.973 ( -19.165 0.000 -3.298) 19.447 7.104 ( -3.410 0.000 -1.046) 3.566 7.677 ( -22.579 0.000 -6.716) 23.557 7.781 ( 2.422 0.000 -3.927) 4.613 7.866 ( 4.460 0.000 5.517) 7.094 8.025 ( -4.797 0.000 5.046) 6.963 8.237 ( 4.153 0.000 4.360) 6.021 8.296 ( -6.222 0.000 2.040) 6.548 8.419 ( -4.502 0.000 3.823) 5.906 8.552 ( 2.936 0.000 -4.180) 5.108 8.660 ( -9.339 0.000 2.866) 9.769 8.665 ( 5.554 0.000 -3.602) 6.620 8.911 ( -5.328 0.000 -2.439) 5.860 9.482 ( 18.753 0.000 -5.166) 19.452 9.527 ( 16.149 0.000 -9.218) 18.595 9.654 ( 12.511 0.000 -1.643) 12.619 9.713 ( 5.433 0.000 -2.371) 5.928 9.805 ( 20.715 0.000 3.172) 20.957 9.955 ( 14.007 0.000 -7.232) 15.764 10.266 ( -0.822 0.000 -8.673) 8.712 10.304 ( -1.737 0.000 6.593) 6.818 10.462 ( 7.932 0.000 3.247) 8.571 10.584 ( 0.288 0.000 -0.545) 0.617 10.648 ( -16.690 0.000 -8.267) 18.625 10.942 ( 6.704 0.000 -2.838) 7.279 11.243 ( 0.691 0.000 4.244) 4.300 11.482 ( 6.810 0.000 -8.594) 10.965 11.897 ( -15.291 0.000 -5.333) 16.194 11.915 ( -3.223 0.000 6.706) 7.440 12.177 ( -16.915 0.000 4.476) 17.497 12.385 ( -11.670 0.000 2.028) 11.845 12.526 ( 6.007 0.000 -0.894) 6.073 12.831 ( -0.135 0.000 -25.622) 25.622 12.952 ( -3.676 0.000 2.856) 4.655 13.052 ( 4.041 0.000 3.958) 5.656 13.211 ( 6.308 0.000 -3.323) 7.130 13.245 ( -10.859 0.000 -7.435) 13.160 13.307 ( -9.031 0.000 1.696) 9.189 13.461 ( 2.650 0.000 -11.234) 11.542 13.633 ( -9.850 0.000 3.163) 10.345 14.013 ( 0.923 0.000 -0.397) 1.004 14.088 ( -28.790 0.000 -9.503) 30.318 14.230 ( -6.191 0.000 0.160) 6.193 14.272 ( 2.267 0.000 7.602) 7.933 14.592 ( -8.980 0.000 -2.215) 9.249 14.721 ( 15.504 0.000 1.204) 15.550 14.915 ( 14.134 0.000 -4.120) 14.723 15.000 ( 14.224 0.000 -14.022) 19.974 15.295 ( -3.124 0.000 5.055) 5.943 15.453 ( -3.636 0.000 0.564) 3.679 15.553 ( 2.362 0.000 1.034) 2.579 15.885 ( 8.009 0.000 11.209) 13.776 16.055 ( 13.433 0.000 -7.894) 15.580 16.337 ( 23.097 0.000 -9.042) 24.804 16.420 ( -9.888 0.000 9.214) 13.515 16.662 ( 5.225 0.000 1.211) 5.363 16.894 ( -8.817 0.000 -6.354) 10.868 17.080 ( -13.459 0.000 -5.254) 14.448 17.252 ( -1.782 0.000 13.946) 14.059 17.377 ( 6.220 0.000 18.666) 19.675 17.378 ( 3.055 0.000 6.717) 7.379 17.507 ( 12.891 0.000 14.293) 19.247 17.802 ( -15.793 0.000 5.354) 16.676 17.967 ( -14.240 0.000 -1.638) 14.334 18.179 ( -4.322 0.000 2.034) 4.777 18.311 ( 2.585 0.000 0.299) 2.602 18.471 ( -11.202 0.000 8.765) 14.224 18.586 ( 17.542 0.000 -11.119) 20.769 19.005 ( -0.674 0.000 -5.401) 5.443 19.722 ( 3.675 0.000 -2.312) 4.342 19.946 ( -3.591 0.000 2.605) 4.436 20.219 ( 5.441 0.000 -8.481) 10.076 20.313 ( -1.396 0.000 -6.304) 6.456 20.397 ( 8.549 0.000 -5.363) 10.092 20.667 ( -0.634 0.000 1.740) 1.852 20.768 ( -9.108 0.000 6.574) 11.233 20.807 ( -4.009 0.000 5.249) 6.605 25.530 ( 0.129 0.000 2.420) 2.424 25.535 ( -0.123 0.000 2.249) 2.253 25.538 ( 8.570 0.000 -2.181) 8.843 25.713 ( 0.702 0.000 -4.515) 4.569 26.184 ( 6.853 0.000 -10.281) 12.355 26.439 ( -4.161 0.000 -13.028) 13.676 26.767 ( 1.619 0.000 -3.770) 4.102 26.902 ( -3.678 0.000 -7.587) 8.431 27.262 ( 3.258 0.000 -0.799) 3.355 27.436 ( -7.326 0.000 6.789) 9.988 28.209 ( 16.293 0.000 4.018) 16.781 28.785 ( -10.413 0.000 -7.008) 12.552 29.013 ( 7.418 0.000 -4.561) 8.708 29.337 ( -8.146 0.000 -6.167) 10.217 29.906 ( 6.259 0.000 4.767) 7.868 30.195 ( -10.918 0.000 13.553) 17.403 ======================= Grid point 52 (20/96) ======================= q-point: (-0.50 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.111 ( -45.056 0.000 15.510) 47.651 3.111 ( 45.056 0.000 15.510) 47.651 3.171 ( -45.015 0.000 5.654) 45.368 3.171 ( 45.015 0.000 5.654) 45.368 4.886 ( -2.291 0.000 10.239) 10.492 4.886 ( 2.291 0.000 10.239) 10.492 4.976 ( -20.744 0.000 4.297) 21.184 4.976 ( 20.744 0.000 4.297) 21.184 5.692 ( -44.312 0.000 31.212) 54.201 5.692 ( 44.312 0.000 31.212) 54.201 5.853 ( -21.362 0.000 2.083) 21.463 5.853 ( 21.362 0.000 2.083) 21.463 6.791 ( -2.004 0.000 -5.624) 5.970 6.791 ( 2.004 0.000 -5.624) 5.970 6.973 ( -9.013 0.000 -1.529) 9.142 6.973 ( 9.013 0.000 -1.529) 9.142 7.242 ( -21.773 0.000 -8.695) 23.445 7.242 ( 21.773 0.000 -8.695) 23.445 7.843 ( -4.121 0.000 -2.138) 4.643 7.843 ( 4.121 0.000 -2.138) 4.643 8.102 ( -10.470 0.000 7.972) 13.159 8.102 ( 10.470 0.000 7.972) 13.159 8.326 ( -5.007 0.000 5.193) 7.213 8.326 ( 5.007 0.000 5.193) 7.213 8.592 ( -3.127 0.000 -2.263) 3.860 8.592 ( 3.127 0.000 -2.263) 3.860 8.788 ( -7.019 0.000 -3.268) 7.743 8.788 ( 7.019 0.000 -3.268) 7.743 9.731 ( -4.480 0.000 -7.795) 8.990 9.731 ( 4.480 0.000 -7.795) 8.990 9.742 ( -5.683 0.000 -4.497) 7.247 9.742 ( 5.683 0.000 -4.497) 7.247 10.153 ( -12.628 0.000 4.055) 13.263 10.153 ( 12.628 0.000 4.055) 13.263 10.275 ( -20.215 0.000 -7.130) 21.435 10.275 ( 20.215 0.000 -7.130) 21.435 10.329 ( -7.904 0.000 -5.055) 9.382 10.329 ( 7.904 0.000 -5.055) 9.382 10.960 ( -24.074 0.000 3.141) 24.278 10.960 ( 24.074 0.000 3.141) 24.278 11.287 ( -26.281 0.000 -6.468) 27.066 11.287 ( 26.281 0.000 -6.468) 27.066 11.826 ( -16.901 0.000 0.422) 16.907 11.826 ( 16.901 0.000 0.422) 16.907 12.099 ( -16.777 0.000 7.124) 18.227 12.099 ( 16.777 0.000 7.124) 18.227 12.797 ( -13.118 0.000 -2.861) 13.426 12.797 ( 13.118 0.000 -2.861) 13.426 12.959 ( -12.344 0.000 -18.823) 22.509 12.959 ( 12.344 0.000 -18.823) 22.509 13.164 ( -5.713 0.000 9.383) 10.985 13.164 ( 5.713 0.000 9.383) 10.985 13.432 ( -11.611 0.000 2.192) 11.816 13.432 ( 11.611 0.000 2.192) 11.816 13.628 ( -17.797 0.000 -9.401) 20.127 13.628 ( 17.797 0.000 -9.401) 20.127 14.098 ( -6.780 0.000 -2.277) 7.152 14.098 ( 6.780 0.000 -2.277) 7.152 14.392 ( -9.570 0.000 4.962) 10.780 14.392 ( 9.570 0.000 4.962) 10.780 14.985 ( -8.921 0.000 -3.908) 9.739 14.985 ( 8.921 0.000 -3.908) 9.739 15.274 ( -13.100 0.000 -10.323) 16.678 15.274 ( 13.100 0.000 -10.323) 16.678 15.389 ( -13.791 0.000 0.320) 13.795 15.389 ( 13.791 0.000 0.320) 13.795 16.153 ( -16.576 0.000 16.118) 23.120 16.153 ( 16.576 0.000 16.118) 23.120 16.387 ( -16.478 0.000 -7.603) 18.148 16.387 ( 16.478 0.000 -7.603) 18.148 16.836 ( -11.693 0.000 -5.723) 13.019 16.836 ( 11.693 0.000 -5.723) 13.019 16.991 ( -18.704 0.000 -0.695) 18.717 16.991 ( 18.704 0.000 -0.695) 18.717 17.533 ( -12.149 0.000 6.252) 13.663 17.533 ( 12.149 0.000 6.252) 13.663 17.590 ( -11.532 0.000 11.328) 16.165 17.590 ( 11.532 0.000 11.328) 16.165 17.934 ( -14.893 0.000 15.325) 21.370 17.934 ( 14.893 0.000 15.325) 21.370 18.369 ( -2.879 0.000 1.002) 3.048 18.369 ( 2.879 0.000 1.002) 3.048 18.870 ( -12.075 0.000 -12.765) 17.571 18.870 ( 12.075 0.000 -12.765) 17.571 19.840 ( -7.075 0.000 5.165) 8.760 19.840 ( 7.075 0.000 5.165) 8.760 20.279 ( -2.141 0.000 -6.936) 7.259 20.279 ( 2.141 0.000 -6.936) 7.259 20.580 ( -10.293 0.000 -0.060) 10.293 20.580 ( 10.293 0.000 -0.060) 10.293 20.719 ( -4.790 0.000 2.751) 5.524 20.719 ( 4.790 0.000 2.751) 5.524 25.533 ( -0.145 0.000 2.339) 2.343 25.533 ( 0.145 0.000 2.339) 2.343 25.670 ( -4.930 0.000 -2.617) 5.582 25.670 ( 4.930 0.000 -2.617) 5.582 26.323 ( -7.417 0.000 -9.103) 11.742 26.323 ( 7.417 0.000 -9.103) 11.742 26.826 ( -4.044 0.000 -7.678) 8.678 26.826 ( 4.044 0.000 -7.678) 8.678 27.331 ( -4.265 0.000 2.072) 4.742 27.331 ( 4.265 0.000 2.072) 4.742 28.524 ( -16.180 0.000 -0.857) 16.203 28.524 ( 16.180 0.000 -0.857) 16.203 29.171 ( -8.968 0.000 -5.359) 10.448 29.171 ( 8.968 0.000 -5.359) 10.448 30.030 ( -7.205 0.000 8.185) 10.904 30.030 ( 7.205 0.000 8.185) 10.904 ======================= Grid point 56 (21/96) ======================= q-point: ( 0.00 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 36.693 35.914) 51.344 1.544 ( 0.000 35.018 42.360) 54.960 2.488 ( 0.000 61.422 57.823) 84.358 4.506 ( 0.000 1.637 12.975) 13.078 4.760 ( 0.000 -12.261 8.251) 14.779 4.833 ( 0.000 -9.135 11.606) 14.769 4.902 ( 0.000 -26.084 3.451) 26.312 5.234 ( 0.000 1.049 13.842) 13.882 5.557 ( 0.000 10.629 2.777) 10.985 5.585 ( 0.000 7.121 -1.211) 7.224 6.007 ( 0.000 -9.187 -11.443) 14.674 6.488 ( 0.000 -12.456 -6.927) 14.253 6.915 ( 0.000 -2.475 6.342) 6.808 6.925 ( 0.000 -3.662 -4.053) 5.462 7.048 ( 0.000 3.461 4.312) 5.529 7.109 ( 0.000 -1.230 2.071) 2.409 7.499 ( 0.000 -12.060 -5.124) 13.103 7.569 ( 0.000 3.190 1.348) 3.464 7.672 ( 0.000 -6.556 5.519) 8.570 7.963 ( 0.000 -2.064 9.478) 9.701 8.058 ( 0.000 -3.553 -9.809) 10.433 8.216 ( 0.000 2.517 -2.035) 3.237 8.379 ( 0.000 0.888 -0.487) 1.013 8.447 ( 0.000 0.891 2.802) 2.940 8.761 ( 0.000 5.117 -4.533) 6.836 8.776 ( 0.000 6.339 -3.164) 7.085 8.874 ( 0.000 7.967 -0.989) 8.028 8.882 ( 0.000 3.365 6.752) 7.545 8.961 ( 0.000 27.201 -11.126) 29.388 9.400 ( 0.000 11.790 4.291) 12.547 9.456 ( 0.000 4.187 -8.121) 9.137 9.494 ( 0.000 2.343 -3.550) 4.253 9.566 ( 0.000 4.674 1.506) 4.911 9.908 ( 0.000 -1.262 4.053) 4.245 10.165 ( 0.000 -2.507 -8.464) 8.828 10.278 ( 0.000 8.628 -0.404) 8.638 10.486 ( 0.000 8.900 -14.280) 16.827 10.650 ( 0.000 -4.155 -0.077) 4.156 10.699 ( 0.000 -7.395 1.553) 7.556 11.052 ( 0.000 7.107 11.838) 13.808 11.125 ( 0.000 -1.751 2.170) 2.789 11.313 ( 0.000 12.839 5.780) 14.080 11.503 ( 0.000 -2.194 -0.444) 2.238 11.792 ( 0.000 -19.312 -7.345) 20.661 12.609 ( 0.000 -7.641 9.242) 11.991 12.619 ( 0.000 -33.052 10.152) 34.576 12.771 ( 0.000 -3.856 8.416) 9.257 12.849 ( 0.000 -7.018 -9.476) 11.792 12.916 ( 0.000 5.890 0.311) 5.898 13.014 ( 0.000 -13.783 -22.659) 26.522 13.175 ( 0.000 -24.305 -7.507) 25.438 13.240 ( 0.000 3.887 4.884) 6.242 13.272 ( 0.000 -6.811 -19.394) 20.555 13.454 ( 0.000 -1.501 -13.810) 13.892 13.699 ( 0.000 -15.864 -3.959) 16.351 14.122 ( 0.000 6.147 -12.519) 13.947 14.315 ( 0.000 -1.535 8.835) 8.967 14.323 ( 0.000 0.832 -17.692) 17.711 14.368 ( 0.000 6.428 -5.642) 8.553 14.603 ( 0.000 3.825 2.752) 4.712 14.758 ( 0.000 -5.408 9.584) 11.005 15.028 ( 0.000 10.204 13.133) 16.631 15.072 ( 0.000 3.573 -3.169) 4.776 15.172 ( 0.000 4.514 3.641) 5.799 15.469 ( 0.000 -9.258 -15.558) 18.104 15.505 ( 0.000 6.387 6.572) 9.165 15.590 ( 0.000 6.797 -5.278) 8.606 15.907 ( 0.000 19.869 3.153) 20.117 16.346 ( 0.000 3.971 -1.692) 4.316 16.350 ( 0.000 7.557 8.508) 11.380 16.607 ( 0.000 -6.867 15.637) 17.079 16.652 ( 0.000 1.909 -0.534) 1.983 17.191 ( 0.000 2.216 4.071) 4.635 17.273 ( 0.000 -17.100 19.235) 25.737 17.363 ( 0.000 -2.602 7.542) 7.978 17.403 ( 0.000 -1.783 -0.858) 1.979 17.527 ( 0.000 -1.619 -2.873) 3.298 17.968 ( 0.000 8.860 2.421) 9.184 17.994 ( 0.000 6.322 -11.145) 12.813 18.209 ( 0.000 -0.004 -1.986) 1.986 18.346 ( 0.000 -1.178 4.509) 4.660 18.665 ( 0.000 10.022 1.829) 10.187 18.717 ( 0.000 1.635 7.185) 7.369 18.864 ( 0.000 -0.768 3.001) 3.098 19.747 ( 0.000 2.201 -7.826) 8.129 19.779 ( 0.000 -3.771 -25.098) 25.380 19.990 ( 0.000 5.843 -6.568) 8.791 20.335 ( 0.000 0.162 -5.482) 5.484 20.341 ( 0.000 4.246 -1.374) 4.462 20.765 ( 0.000 -6.878 4.296) 8.109 20.864 ( 0.000 -2.427 4.526) 5.136 20.964 ( 0.000 -0.176 15.827) 15.828 25.326 ( 0.000 -0.404 0.761) 0.862 25.343 ( 0.000 -0.425 1.388) 1.452 25.594 ( 0.000 5.086 2.883) 5.846 25.736 ( 0.000 8.827 -3.273) 9.414 26.107 ( 0.000 7.925 -12.919) 15.156 26.488 ( 0.000 2.275 -16.698) 16.852 26.786 ( 0.000 -0.341 -9.212) 9.218 26.976 ( 0.000 -0.707 -5.507) 5.552 27.203 ( 0.000 1.028 -3.639) 3.782 27.654 ( 0.000 -3.569 1.983) 4.083 27.979 ( 0.000 0.314 19.660) 19.662 28.385 ( 0.000 -13.935 -9.535) 16.885 29.317 ( 0.000 19.001 -5.237) 19.709 29.536 ( 0.000 2.426 -5.951) 6.427 29.725 ( 0.000 -0.130 4.306) 4.308 30.340 ( 0.000 -26.082 19.553) 32.597 ======================= Grid point 57 (22/96) ======================= q-point: ( 0.17 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 31.579 34.663 20.499) 51.175 1.932 ( 30.491 33.055 33.528) 56.093 2.999 ( 47.807 42.654 48.831) 80.556 4.456 ( -6.237 3.376 12.171) 14.087 4.743 ( -9.938 -12.715 4.853) 16.852 4.786 ( -2.499 -4.599 9.541) 10.882 4.905 ( -10.587 -2.757 5.754) 12.361 5.055 ( -6.035 -9.882 9.373) 14.897 5.241 ( 0.589 2.394 14.939) 15.141 5.809 ( -15.877 1.628 -9.440) 18.543 6.102 ( 20.937 -2.088 -0.018) 21.041 6.433 ( -3.450 -19.302 -9.444) 21.763 6.698 ( -19.562 -6.194 -3.142) 20.758 6.868 ( -5.236 -0.934 4.219) 6.788 6.991 ( -7.068 1.438 0.894) 7.268 7.150 ( 5.065 1.927 5.865) 7.986 7.412 ( -9.053 -1.681 -3.373) 9.806 7.535 ( -4.945 -10.706 4.704) 12.696 7.684 ( 1.554 -1.950 -1.243) 2.786 7.869 ( -5.529 -6.703 8.015) 11.821 8.138 ( -2.777 -4.302 -3.589) 6.253 8.196 ( 3.002 -0.278 -3.916) 4.942 8.431 ( 3.728 4.721 -2.667) 6.580 8.543 ( -1.931 17.608 -0.629) 17.725 8.604 ( 2.051 8.535 -0.933) 8.828 8.809 ( 4.057 -3.184 1.788) 5.458 8.980 ( 1.512 20.338 -7.671) 21.789 9.079 ( 15.350 1.707 -2.195) 15.600 9.151 ( 13.941 15.214 1.112) 20.666 9.387 ( 4.063 13.103 -3.033) 14.050 9.458 ( -4.159 -1.433 -0.655) 4.448 9.573 ( 3.589 3.658 -1.333) 5.295 9.638 ( 6.982 5.353 2.978) 9.289 9.706 ( -0.965 -2.426 -5.298) 5.906 10.100 ( 0.415 -6.993 7.688) 10.401 10.368 ( 2.027 6.875 -7.826) 10.612 10.480 ( 0.378 6.997 -5.247) 8.754 10.587 ( -4.589 -3.801 -1.205) 6.079 10.866 ( 14.291 -5.525 3.048) 15.622 10.977 ( -9.110 4.882 -2.794) 10.707 11.146 ( 1.972 6.570 3.922) 7.902 11.377 ( -1.810 1.409 -2.348) 3.282 11.663 ( 19.557 -6.853 4.002) 21.106 11.806 ( -2.515 -15.527 -8.419) 17.841 12.341 ( -18.036 -17.779 6.926) 26.255 12.440 ( -20.549 -15.185 7.561) 26.646 12.682 ( -9.266 -8.463 0.769) 12.572 12.778 ( -2.480 -13.042 -18.873) 23.074 12.995 ( 5.364 5.549 -0.578) 7.740 13.085 ( -1.160 -1.276 -10.604) 10.743 13.117 ( -2.370 -11.390 -7.882) 14.052 13.231 ( 8.502 -7.528 -14.535) 18.445 13.364 ( 2.188 3.597 0.651) 4.260 13.453 ( -0.637 1.061 -11.934) 11.998 13.717 ( -4.424 -15.659 -3.273) 16.598 13.943 ( -6.127 -3.631 2.350) 7.500 14.196 ( -0.040 9.978 -9.354) 13.677 14.421 ( 8.771 1.521 2.721) 9.308 14.521 ( -16.725 -4.021 -6.160) 18.271 14.693 ( 5.229 -1.097 6.609) 8.499 14.750 ( -4.260 -3.369 10.845) 12.129 14.864 ( -7.200 14.597 -7.663) 17.990 15.008 ( 5.069 9.269 3.453) 11.115 15.170 ( -1.632 0.688 4.577) 4.908 15.281 ( -0.369 5.005 4.089) 6.473 15.637 ( 7.139 -7.087 -9.733) 13.997 15.694 ( 5.850 4.946 -2.701) 8.123 15.863 ( -0.036 9.922 7.161) 12.236 16.172 ( -3.119 9.536 -9.644) 13.917 16.451 ( -3.523 -6.490 5.826) 9.406 16.716 ( 5.967 6.086 -0.005) 8.524 16.836 ( 18.514 2.638 13.410) 23.012 17.179 ( -9.494 -12.990 12.756) 20.533 17.263 ( -5.327 1.911 6.161) 8.365 17.285 ( 7.118 1.159 11.430) 13.515 17.387 ( -1.750 -5.120 6.494) 8.452 17.455 ( -4.799 0.453 1.737) 5.124 18.096 ( 1.184 -0.120 -2.766) 3.011 18.142 ( 4.130 1.809 -1.869) 4.880 18.183 ( 0.122 5.421 -6.208) 8.243 18.255 ( 2.998 -0.175 -0.546) 3.052 18.522 ( -9.316 14.264 -1.041) 17.068 18.784 ( -5.309 -0.033 3.218) 6.208 18.933 ( 10.855 5.419 4.536) 12.953 19.722 ( -3.639 -1.975 -17.664) 18.143 19.850 ( 8.114 -8.397 -9.342) 14.954 19.998 ( 1.119 4.077 -1.985) 4.670 20.323 ( -1.276 -0.632 -4.540) 4.758 20.364 ( 2.890 2.983 -1.520) 4.423 20.682 ( -7.326 -5.924 3.649) 10.104 20.803 ( -5.093 -4.581 4.810) 8.370 20.911 ( -5.334 -1.370 13.721) 14.785 25.379 ( 6.589 0.153 -0.892) 6.651 25.463 ( 7.143 -2.447 0.729) 7.586 25.593 ( -0.168 4.932 2.764) 5.656 25.743 ( 0.429 5.933 -3.331) 6.817 26.146 ( 3.876 6.905 -12.260) 14.595 26.502 ( 0.904 2.960 -17.447) 17.719 26.768 ( -1.397 -0.401 -5.432) 5.623 26.957 ( -2.009 -0.603 -6.148) 6.496 27.224 ( 2.390 1.654 -3.255) 4.364 27.670 ( -4.881 3.697 5.800) 8.434 27.909 ( 3.791 -3.659 9.648) 10.993 28.493 ( 6.289 -16.497 -7.971) 19.371 29.272 ( -3.776 15.428 -5.037) 16.662 29.497 ( -4.258 3.589 -4.601) 7.224 29.778 ( 4.574 -1.389 3.406) 5.869 30.235 ( -8.591 -17.754 18.786) 27.239 ======================= Grid point 58 (23/96) ======================= q-point: ( 0.33 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.476 ( 45.606 23.483 7.779) 51.884 2.591 ( 38.231 28.439 22.604) 52.738 3.814 ( 8.170 16.798 17.365) 25.504 4.150 ( -38.639 17.719 8.528) 43.355 4.412 ( 23.674 10.694 18.763) 32.045 4.797 ( 1.588 -7.465 9.666) 12.316 4.822 ( -0.827 -7.382 9.921) 12.394 5.176 ( 6.097 -9.077 8.288) 13.720 5.322 ( 10.911 -2.007 17.427) 20.659 5.489 ( -10.663 4.585 -2.968) 11.981 6.149 ( -24.584 -15.799 0.450) 29.227 6.388 ( -2.834 -7.610 5.311) 9.703 6.501 ( 1.224 -17.330 -8.118) 19.176 6.744 ( -4.206 -0.064 2.864) 5.089 6.807 ( -13.020 -5.222 -1.490) 14.107 7.111 ( -10.697 0.369 2.375) 10.963 7.317 ( 2.018 14.840 -6.032) 16.145 7.412 ( -5.607 -14.967 8.906) 18.297 7.694 ( 1.810 -8.657 4.870) 10.096 7.837 ( -0.055 -1.535 -4.679) 4.925 8.018 ( -5.038 -4.321 -1.942) 6.916 8.226 ( -2.938 14.075 -2.905) 14.669 8.306 ( -9.105 1.834 3.553) 9.944 8.554 ( 2.116 11.912 0.702) 12.119 8.673 ( -9.037 7.241 -0.767) 11.605 8.823 ( 6.134 12.562 -0.512) 13.989 9.011 ( 3.320 15.842 -4.968) 16.931 9.143 ( -1.953 20.680 1.394) 20.819 9.378 ( 13.062 1.649 -3.902) 13.732 9.540 ( 5.669 -0.898 -1.552) 5.946 9.606 ( 13.629 -9.477 -1.056) 16.633 9.737 ( 15.821 7.660 -3.072) 17.845 9.840 ( 13.097 1.253 0.140) 13.158 9.931 ( 15.881 -0.784 -4.108) 16.422 10.146 ( -2.431 -8.080 4.134) 9.396 10.324 ( 3.064 -3.922 -9.031) 10.311 10.500 ( -6.655 -0.957 -2.459) 7.159 10.631 ( 10.899 8.417 -1.884) 13.899 10.724 ( -10.279 3.109 -0.380) 10.746 11.048 ( 1.763 12.550 -3.855) 13.246 11.223 ( 7.525 -2.168 5.673) 9.670 11.394 ( 0.501 -6.398 -6.406) 9.068 11.600 ( -14.187 -21.922 -4.575) 26.510 11.763 ( -21.991 -17.262 -1.115) 27.978 12.046 ( -4.761 -12.309 11.863) 17.746 12.143 ( -8.429 -15.148 13.640) 22.058 12.559 ( 1.723 0.572 -17.277) 17.372 12.776 ( 2.245 -3.859 -22.269) 22.712 12.948 ( -5.393 -6.089 -18.316) 20.041 13.105 ( -7.419 6.787 -3.365) 10.603 13.198 ( 8.432 -3.800 -0.773) 9.281 13.340 ( 1.769 5.115 -4.873) 7.282 13.381 ( 5.264 0.481 -1.452) 5.482 13.448 ( 6.091 4.687 -2.978) 8.242 13.619 ( -3.497 -4.125 -2.366) 5.903 13.930 ( -3.293 3.490 9.860) 10.966 14.019 ( -20.225 -4.276 -2.670) 20.844 14.174 ( -10.620 -0.549 -1.019) 10.683 14.475 ( -3.969 -7.862 16.805) 18.973 14.598 ( -9.696 9.388 5.675) 14.640 14.783 ( 13.358 6.924 -13.821) 20.430 14.895 ( 9.652 5.549 -4.590) 12.043 15.173 ( 1.602 -4.444 0.587) 4.761 15.196 ( 3.187 4.342 -1.372) 5.558 15.355 ( 3.111 -4.217 2.078) 5.637 15.598 ( -5.074 -1.412 -8.781) 10.240 15.955 ( 15.663 0.013 5.323) 16.542 15.970 ( 12.090 -1.861 2.471) 12.479 16.183 ( 1.284 0.920 -11.988) 12.092 16.363 ( -2.835 -2.664 6.892) 7.914 16.823 ( 0.017 -5.366 0.714) 5.414 16.903 ( -15.308 -12.003 -0.337) 19.455 16.997 ( -0.741 16.186 0.587) 16.213 17.243 ( 2.290 -2.322 13.574) 13.960 17.356 ( 3.180 -1.202 9.615) 10.199 17.430 ( 3.609 3.494 6.257) 8.024 17.577 ( 18.437 4.999 15.549) 24.630 17.888 ( -11.813 7.023 1.718) 13.850 18.060 ( -13.920 4.899 3.186) 15.097 18.179 ( -7.689 0.640 0.808) 7.758 18.339 ( 4.499 4.350 -4.636) 7.788 18.450 ( -2.104 4.269 -1.816) 5.094 18.754 ( 6.845 10.064 -3.619) 12.698 19.051 ( -0.343 4.104 -4.067) 5.788 19.704 ( 3.262 -1.901 -3.554) 5.185 19.919 ( -2.514 -5.295 -1.288) 6.001 20.094 ( 8.608 -4.646 -3.690) 10.455 20.290 ( -2.238 -1.282 -4.377) 5.081 20.455 ( 6.332 1.458 -2.175) 6.852 20.564 ( -3.377 -8.741 3.268) 9.924 20.687 ( -6.942 -7.289 3.027) 10.512 20.781 ( -7.997 -3.190 8.697) 12.238 25.516 ( 5.768 -0.032 0.027) 5.768 25.563 ( 4.003 1.290 0.350) 4.220 25.591 ( 0.619 3.967 1.984) 4.478 25.736 ( -1.532 1.761 -2.698) 3.568 26.244 ( 6.351 5.819 -10.234) 13.377 26.485 ( -3.568 4.397 -14.549) 15.612 26.765 ( 1.785 -0.559 -4.212) 4.609 26.903 ( -3.579 -0.415 -7.552) 8.367 27.288 ( 4.190 3.091 -1.835) 5.521 27.511 ( -8.411 7.273 5.578) 12.440 28.124 ( 14.680 -8.302 0.527) 16.874 28.537 ( -2.501 -16.131 -6.330) 17.508 29.216 ( -0.878 12.033 -3.024) 12.438 29.386 ( -6.906 4.996 -2.986) 9.032 29.869 ( 4.860 -3.725 4.371) 7.523 30.081 ( -7.150 -9.843 13.671) 18.301 ======================= Grid point 59 (24/96) ======================= q-point: (-0.50 0.17 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.240 ( -10.241 14.431 10.095) 20.373 3.240 ( 10.241 14.431 10.095) 20.373 3.448 ( -13.066 23.576 9.789) 28.677 3.448 ( 13.066 23.576 9.789) 28.677 4.800 ( -1.797 -7.177 9.812) 12.289 4.800 ( 1.797 -7.177 9.812) 12.289 5.063 ( -17.902 7.143 2.974) 19.503 5.063 ( 17.902 7.143 2.974) 19.503 5.639 ( -12.035 -13.819 8.149) 20.056 5.639 ( 12.035 -13.819 8.149) 20.056 5.824 ( -30.283 5.821 24.341) 39.287 5.824 ( 30.283 5.821 24.341) 39.287 6.605 ( -6.827 -14.778 -10.484) 19.363 6.605 ( 6.827 -14.778 -10.484) 19.363 6.884 ( -12.481 -7.479 1.449) 14.622 6.884 ( 12.481 -7.479 1.449) 14.622 7.356 ( -1.924 0.312 1.759) 2.626 7.356 ( 1.924 0.312 1.759) 2.626 7.784 ( -5.584 1.192 -5.370) 7.839 7.784 ( 5.584 1.192 -5.370) 7.839 8.038 ( -7.607 3.512 3.122) 8.941 8.038 ( 7.607 3.512 3.122) 8.941 8.371 ( -9.352 4.884 3.083) 10.991 8.371 ( 9.352 4.884 3.083) 10.991 8.774 ( -7.759 12.394 -2.621) 14.855 8.774 ( 7.759 12.394 -2.621) 14.855 9.101 ( -3.659 21.979 -0.607) 22.290 9.101 ( 3.659 21.979 -0.607) 22.290 9.552 ( -4.160 -5.361 -3.239) 7.520 9.552 ( 4.160 -5.361 -3.239) 7.520 9.854 ( -9.718 -1.895 -5.969) 11.562 9.854 ( 9.718 -1.895 -5.969) 11.562 10.022 ( -4.804 -3.651 4.550) 7.557 10.022 ( 4.804 -3.651 4.550) 7.557 10.232 ( -17.659 -2.015 -7.638) 19.345 10.232 ( 17.659 -2.015 -7.638) 19.345 10.521 ( -11.132 6.666 -2.867) 13.288 10.521 ( 11.132 6.666 -2.867) 13.288 11.007 ( -21.844 4.527 -2.048) 22.402 11.007 ( 21.844 4.527 -2.048) 22.402 11.235 ( -22.149 -5.564 -4.924) 23.362 11.235 ( 22.149 -5.564 -4.924) 23.362 11.491 ( -5.546 -20.664 -0.110) 21.395 11.491 ( 5.546 -20.664 -0.110) 21.395 12.031 ( -3.802 -11.081 19.164) 22.461 12.031 ( 3.802 -11.081 19.164) 22.461 12.705 ( -10.364 -2.032 -24.287) 26.484 12.705 ( 10.364 -2.032 -24.287) 26.484 12.936 ( -4.482 -1.860 -13.648) 14.485 12.936 ( 4.482 -1.860 -13.648) 14.485 13.382 ( -9.260 9.030 3.324) 13.355 13.382 ( 9.260 9.030 3.324) 13.355 13.499 ( -7.130 1.171 -2.843) 7.765 13.499 ( 7.130 1.171 -2.843) 7.765 13.611 ( -14.695 2.948 -0.279) 14.990 13.611 ( 14.695 2.948 -0.279) 14.990 13.995 ( -7.462 -4.298 3.562) 9.319 13.995 ( 7.462 -4.298 3.562) 9.319 14.468 ( -3.145 3.538 9.341) 10.472 14.468 ( 3.145 3.538 9.341) 10.472 15.020 ( -3.405 3.712 -14.022) 14.899 15.020 ( 3.405 3.712 -14.022) 14.899 15.147 ( -1.579 -7.784 2.636) 8.368 15.147 ( 1.579 -7.784 2.636) 8.368 15.466 ( -8.370 1.454 -1.048) 8.559 15.466 ( 8.370 1.454 -1.048) 8.559 16.109 ( -5.400 -2.676 -3.945) 7.203 16.109 ( 5.400 -2.676 -3.945) 7.203 16.326 ( -11.972 -1.295 6.627) 13.745 16.326 ( 11.972 -1.295 6.627) 13.745 16.696 ( -3.180 -9.169 -2.533) 10.030 16.696 ( 3.180 -9.169 -2.533) 10.030 17.126 ( -9.544 4.660 3.786) 11.275 17.126 ( 9.544 4.660 3.786) 11.275 17.510 ( -1.379 1.544 5.808) 6.166 17.510 ( 1.379 1.544 5.808) 6.166 17.769 ( -5.665 12.772 5.348) 14.961 17.769 ( 5.665 12.772 5.348) 14.961 17.947 ( -14.912 1.044 14.171) 20.598 17.947 ( 14.912 1.044 14.171) 20.598 18.403 ( -2.482 4.468 -4.025) 6.506 18.403 ( 2.482 4.468 -4.025) 6.506 18.940 ( -9.667 6.050 -9.528) 14.861 18.940 ( 9.667 6.050 -9.528) 14.861 19.818 ( -7.062 -2.466 4.082) 8.522 19.818 ( 7.062 -2.466 4.082) 8.522 20.226 ( -4.929 -3.355 -5.106) 7.850 20.226 ( 4.929 -3.355 -5.106) 7.850 20.559 ( -5.313 -5.715 -0.341) 7.811 20.559 ( 5.313 -5.715 -0.341) 7.811 20.625 ( -7.764 -5.873 4.789) 10.849 20.625 ( 7.764 -5.873 4.789) 10.849 25.569 ( -1.170 2.924 2.012) 3.737 25.569 ( 1.170 2.924 2.012) 3.737 25.677 ( -4.803 0.502 -1.917) 5.196 25.677 ( 4.803 0.502 -1.917) 5.196 26.376 ( -7.083 5.259 -9.876) 13.242 26.376 ( 7.083 5.259 -9.876) 13.242 26.827 ( -4.117 -0.361 -7.509) 8.571 26.827 ( 4.117 -0.361 -7.509) 8.571 27.380 ( -5.629 5.257 1.066) 7.775 27.380 ( 5.629 5.257 1.066) 7.775 28.391 ( -12.197 -11.859 -3.186) 17.307 28.391 ( 12.197 -11.859 -3.186) 17.307 29.263 ( -5.349 7.863 -2.150) 9.750 29.263 ( 5.349 7.863 -2.150) 9.750 29.964 ( -5.441 -6.172 8.042) 11.505 29.964 ( 5.441 -6.172 8.042) 11.505 ======================= Grid point 63 (25/96) ======================= q-point: ( 0.00 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.360 ( 0.000 45.093 25.845) 51.975 2.364 ( 0.000 51.074 11.449) 52.342 3.728 ( 0.000 54.972 33.774) 64.518 4.189 ( 0.000 -34.294 10.174) 35.772 4.227 ( 0.000 -36.837 3.021) 36.961 4.611 ( 0.000 4.421 11.344) 12.175 4.740 ( 0.000 -4.539 13.374) 14.123 5.318 ( 0.000 7.560 13.713) 15.659 5.588 ( 0.000 -27.420 -7.513) 28.431 5.698 ( 0.000 0.174 0.924) 0.940 5.827 ( 0.000 15.555 2.374) 15.735 6.372 ( 0.000 -8.112 12.709) 15.077 6.780 ( 0.000 -4.483 -1.452) 4.712 6.825 ( 0.000 -5.665 -2.088) 6.038 6.977 ( 0.000 -9.405 0.514) 9.419 7.084 ( 0.000 -1.699 0.215) 1.713 7.459 ( 0.000 6.553 -5.546) 8.585 7.587 ( 0.000 -1.683 2.649) 3.139 7.690 ( 0.000 10.663 3.143) 11.116 7.987 ( 0.000 -2.710 -9.115) 9.509 8.054 ( 0.000 6.928 1.443) 7.077 8.182 ( 0.000 -5.863 3.241) 6.699 8.300 ( 0.000 -7.084 2.817) 7.624 8.508 ( 0.000 0.094 -0.628) 0.635 8.675 ( 0.000 -3.824 -1.334) 4.050 8.832 ( 0.000 -0.795 1.696) 1.873 8.919 ( 0.000 1.860 7.640) 7.864 8.972 ( 0.000 -0.056 -1.065) 1.067 9.466 ( 0.000 15.005 -5.407) 15.949 9.486 ( 0.000 1.808 -8.758) 8.942 9.552 ( 0.000 4.766 -2.144) 5.226 9.827 ( 0.000 5.081 4.147) 6.559 9.829 ( 0.000 20.981 -10.405) 23.419 9.888 ( 0.000 16.068 -0.334) 16.071 10.191 ( 0.000 7.174 -6.625) 9.765 10.406 ( 0.000 4.798 3.671) 6.041 10.563 ( 0.000 -3.411 2.344) 4.139 10.717 ( 0.000 9.390 8.419) 12.611 10.728 ( 0.000 11.459 -15.582) 19.342 10.988 ( 0.000 -10.229 5.880) 11.799 11.144 ( 0.000 1.469 4.599) 4.828 11.324 ( 0.000 -8.040 -7.163) 10.768 11.562 ( 0.000 -4.732 -7.123) 8.551 11.737 ( 0.000 20.604 2.879) 20.805 11.978 ( 0.000 -27.769 14.426) 31.293 12.189 ( 0.000 -24.553 -7.904) 25.794 12.552 ( 0.000 -26.381 -22.277) 34.529 12.635 ( 0.000 -4.845 14.020) 14.833 12.698 ( 0.000 -22.434 -8.272) 23.910 12.745 ( 0.000 -7.853 -4.037) 8.830 13.030 ( 0.000 0.728 -6.329) 6.370 13.217 ( 0.000 -13.112 0.951) 13.146 13.351 ( 0.000 9.962 -12.528) 16.006 13.449 ( 0.000 5.600 -7.747) 9.559 13.628 ( 0.000 10.702 -2.833) 11.070 14.081 ( 0.000 -4.296 -6.813) 8.054 14.147 ( 0.000 -8.234 5.218) 9.748 14.369 ( 0.000 -9.794 -5.584) 11.274 14.464 ( 0.000 0.640 -7.917) 7.943 14.508 ( 0.000 -6.322 -0.854) 6.379 14.768 ( 0.000 7.424 5.726) 9.376 15.051 ( 0.000 -0.810 -2.356) 2.492 15.270 ( 0.000 12.207 -15.355) 19.616 15.362 ( 0.000 0.709 -14.554) 14.571 15.460 ( 0.000 14.475 6.793) 15.990 15.639 ( 0.000 3.727 3.306) 4.982 15.773 ( 0.000 12.510 8.416) 15.078 16.236 ( 0.000 6.717 6.616) 9.428 16.366 ( 0.000 -1.508 9.786) 9.902 16.451 ( 0.000 2.586 -0.187) 2.592 16.704 ( 0.000 7.230 15.412) 17.023 16.719 ( 0.000 9.454 6.438) 11.438 16.881 ( 0.000 -15.016 11.526) 18.929 17.104 ( 0.000 -7.545 -4.725) 8.902 17.341 ( 0.000 -1.681 4.830) 5.115 17.345 ( 0.000 -5.338 -2.665) 5.966 17.543 ( 0.000 5.737 9.605) 11.188 18.026 ( 0.000 -3.284 -10.312) 10.823 18.118 ( 0.000 5.807 2.634) 6.376 18.210 ( 0.000 -0.034 -0.791) 0.791 18.337 ( 0.000 0.061 4.385) 4.385 18.533 ( 0.000 -13.698 11.200) 17.694 18.911 ( 0.000 12.822 -0.002) 12.822 18.982 ( 0.000 8.099 0.893) 8.148 19.701 ( 0.000 -3.100 -24.722) 24.915 19.770 ( 0.000 -1.578 -16.347) 16.423 20.142 ( 0.000 9.688 -3.255) 10.220 20.333 ( 0.000 -0.298 -4.541) 4.551 20.360 ( 0.000 -1.033 -1.360) 1.708 20.590 ( 0.000 -10.456 0.276) 10.459 20.835 ( 0.000 0.137 13.307) 13.307 20.936 ( 0.000 -2.640 18.523) 18.710 25.325 ( 0.000 0.096 0.314) 0.328 25.335 ( 0.000 -0.392 0.864) 0.949 25.705 ( 0.000 5.321 4.122) 6.731 25.814 ( 0.000 0.574 2.282) 2.353 26.276 ( 0.000 8.619 -11.168) 14.107 26.519 ( 0.000 -0.669 -12.191) 12.209 26.793 ( 0.000 1.906 -14.063) 14.191 26.941 ( 0.000 -2.843 -8.279) 8.753 27.253 ( 0.000 4.352 -6.207) 7.580 27.536 ( 0.000 -7.737 -5.205) 9.325 28.000 ( 0.000 2.092 17.033) 17.160 28.191 ( 0.000 -7.332 -4.410) 8.556 29.571 ( 0.000 7.682 -3.038) 8.261 29.600 ( 0.000 3.737 -3.243) 4.948 29.726 ( 0.000 0.345 4.158) 4.172 29.953 ( 0.000 -13.613 15.525) 20.648 ======================= Grid point 64 (26/96) ======================= q-point: ( 0.17 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.546 ( 21.601 46.773 9.286) 52.350 2.664 ( 25.621 39.989 22.200) 52.425 3.969 ( 23.252 43.515 27.751) 56.607 4.256 ( 4.417 -32.536 4.882) 33.196 4.323 ( 10.619 -31.614 8.128) 34.326 4.572 ( -2.372 8.085 11.851) 14.541 4.740 ( 0.025 -5.186 13.054) 14.047 5.290 ( -17.398 14.984 7.154) 24.050 5.389 ( -6.435 14.933 13.493) 21.130 5.625 ( 3.149 -22.698 -7.980) 24.265 5.935 ( 2.440 -9.119 3.021) 9.911 6.237 ( -17.646 -8.675 1.380) 19.711 6.606 ( -14.966 -3.821 -4.382) 16.055 6.694 ( -6.953 -7.504 4.818) 11.308 6.932 ( -7.805 -8.212 1.049) 11.378 7.087 ( 0.730 -9.044 5.458) 10.589 7.365 ( -9.464 4.769 -0.433) 10.606 7.597 ( 3.719 7.718 -4.115) 9.504 7.751 ( 5.918 8.785 2.482) 10.879 7.880 ( -12.121 5.532 2.609) 13.577 8.049 ( -4.103 -2.893 -1.390) 5.209 8.163 ( 1.465 -1.470 0.625) 2.168 8.447 ( 12.789 -5.773 -2.507) 14.254 8.573 ( 10.336 -8.698 0.659) 13.525 8.779 ( 11.498 4.250 2.839) 12.583 8.886 ( 0.851 10.087 -1.330) 10.210 9.058 ( 10.555 -1.791 -1.904) 10.874 9.219 ( 19.140 -4.514 1.989) 19.766 9.441 ( -3.639 19.798 -6.346) 21.106 9.502 ( 0.510 5.405 -3.860) 6.661 9.594 ( 3.349 2.763 -3.209) 5.400 9.700 ( -4.182 7.035 -0.474) 8.198 9.788 ( -3.833 11.871 -1.980) 12.630 9.899 ( 1.245 5.081 -1.702) 5.501 10.069 ( -4.538 18.872 2.077) 19.521 10.382 ( -10.558 -0.596 4.511) 11.496 10.537 ( 2.080 -0.984 -1.602) 2.804 10.638 ( -1.495 3.118 1.006) 3.601 10.903 ( 10.466 9.464 -5.711) 15.222 11.014 ( -2.721 -2.662 -7.276) 8.212 11.168 ( 2.840 -5.744 5.303) 8.318 11.272 ( -1.227 -9.516 -2.760) 9.984 11.562 ( -6.540 -15.120 -3.734) 16.892 11.689 ( -9.567 12.198 1.003) 15.535 11.880 ( -5.620 -23.495 7.751) 25.370 12.097 ( -2.791 -5.789 -1.592) 6.621 12.549 ( -4.026 -14.179 -15.572) 21.441 12.569 ( -1.287 -4.376 -3.684) 5.863 12.762 ( 4.719 -21.963 -13.137) 26.023 12.823 ( 5.755 -11.948 -10.395) 16.850 13.089 ( 6.388 -1.976 -0.671) 6.720 13.296 ( 2.570 -1.716 -3.150) 4.413 13.317 ( 5.943 -2.260 -5.127) 8.168 13.506 ( -0.752 1.317 -11.524) 11.623 13.656 ( 2.240 14.823 -0.890) 15.018 13.934 ( -7.372 2.879 -3.788) 8.774 14.161 ( 2.930 -11.582 17.697) 21.352 14.385 ( -3.974 -4.609 -0.069) 6.086 14.422 ( -12.222 -2.172 -4.875) 13.336 14.542 ( 2.689 -13.381 -0.989) 13.685 14.810 ( 7.076 9.572 -1.961) 12.064 15.083 ( 1.284 3.531 -5.116) 6.347 15.180 ( -0.901 4.772 -3.243) 5.839 15.315 ( -6.286 15.446 2.553) 16.870 15.516 ( 1.221 9.547 -12.755) 15.979 15.548 ( -6.747 -3.122 3.662) 8.287 15.671 ( -3.164 7.413 3.889) 8.949 16.109 ( -6.021 3.428 2.277) 7.293 16.341 ( -4.780 4.660 -1.703) 6.890 16.438 ( 0.167 5.704 4.221) 7.097 16.712 ( -0.991 -1.286 10.060) 10.190 16.824 ( -3.218 -18.022 16.303) 24.514 17.005 ( 16.544 8.868 7.076) 20.060 17.168 ( 6.414 -6.097 1.307) 8.945 17.309 ( -3.675 -2.147 -1.307) 4.452 17.349 ( 2.053 -3.301 4.128) 5.670 17.554 ( 3.695 12.981 9.569) 16.544 18.056 ( 1.798 -3.902 -3.648) 5.636 18.213 ( -2.597 3.263 2.064) 4.653 18.242 ( -1.021 0.790 0.585) 1.417 18.276 ( 6.708 3.006 -3.367) 8.085 18.613 ( 8.604 -12.698 4.472) 15.978 18.862 ( -5.115 15.570 -2.590) 16.593 19.054 ( 5.964 5.375 1.894) 8.249 19.669 ( -1.600 -2.391 -18.096) 18.324 19.755 ( -1.741 -3.447 -14.786) 15.282 20.127 ( -1.157 8.512 -0.776) 8.625 20.315 ( -1.126 0.166 -1.412) 1.814 20.365 ( 0.391 -1.932 -0.070) 1.972 20.540 ( -5.329 -8.272 0.084) 9.840 20.727 ( -9.446 -1.863 10.182) 14.013 20.846 ( -8.348 -4.704 16.584) 19.154 25.387 ( 6.554 0.662 -0.253) 6.592 25.428 ( 7.527 -1.364 0.349) 7.658 25.697 ( -0.850 4.896 3.637) 6.158 25.800 ( -1.544 0.343 1.674) 2.303 26.307 ( 3.260 8.753 -10.422) 13.995 26.551 ( 2.991 0.144 -13.160) 13.497 26.767 ( -2.473 1.425 -10.863) 11.232 26.921 ( -2.080 -3.055 -8.260) 9.049 27.293 ( 4.212 5.672 -6.237) 9.424 27.632 ( 8.850 -7.887 -5.044) 12.883 27.912 ( -6.943 4.808 9.767) 12.912 28.231 ( 2.319 -10.742 -0.879) 11.025 29.487 ( -5.001 7.378 -3.614) 9.618 29.611 ( -2.545 7.270 1.138) 7.787 29.727 ( 1.034 -3.992 2.275) 4.709 29.933 ( -2.162 -11.759 14.378) 18.699 ======================= Grid point 65 (27/96) ======================= q-point: ( 0.33 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.081 ( 32.317 35.506 5.966) 48.380 3.230 ( 32.349 33.728 17.818) 50.015 4.153 ( -12.064 10.538 7.981) 17.897 4.373 ( -5.896 -9.877 10.848) 15.811 4.526 ( 15.220 -17.502 7.181) 24.281 4.693 ( 7.433 11.028 7.730) 15.383 4.757 ( -5.839 -0.592 10.638) 12.150 4.922 ( 12.794 11.901 11.724) 21.042 5.498 ( 9.804 15.635 21.093) 28.027 5.613 ( -7.306 0.646 -3.869) 8.292 5.760 ( -24.781 -20.235 2.452) 32.087 5.950 ( 2.154 -20.095 -5.428) 20.927 6.419 ( -11.271 -6.364 -7.978) 15.205 6.553 ( -0.171 -15.293 2.279) 15.463 6.712 ( -18.007 -5.383 11.711) 22.144 6.976 ( -12.674 -11.522 9.560) 19.616 7.266 ( 0.998 7.547 3.293) 8.295 7.549 ( -13.306 5.537 2.004) 14.551 7.707 ( 1.976 -2.309 -2.886) 4.191 7.881 ( -8.611 -5.118 -2.512) 10.327 7.997 ( 16.348 19.285 1.153) 25.308 8.289 ( 9.414 6.741 2.695) 11.888 8.620 ( -1.445 9.139 -5.855) 10.949 8.764 ( -3.843 7.224 1.377) 8.298 8.848 ( 6.503 3.045 -0.117) 7.182 8.959 ( 7.253 7.483 1.442) 10.520 9.171 ( -4.616 -0.672 -4.242) 6.305 9.268 ( 1.455 -2.665 -3.159) 4.382 9.430 ( 4.301 9.321 -4.788) 11.327 9.626 ( 4.685 5.227 -1.307) 7.140 9.709 ( 12.412 7.051 3.559) 14.712 9.826 ( 11.731 -2.664 -1.580) 12.133 9.881 ( 8.787 2.223 -0.340) 9.070 10.009 ( 0.591 -5.253 0.310) 5.295 10.024 ( 6.418 -0.428 -0.371) 6.443 10.142 ( -5.510 12.867 3.048) 14.325 10.465 ( -6.508 -6.492 0.577) 9.211 10.727 ( -15.656 3.094 -2.776) 16.199 10.818 ( 14.858 5.353 -2.014) 15.921 11.071 ( -2.573 -13.496 -8.476) 16.143 11.201 ( -11.622 -20.837 -2.329) 23.972 11.263 ( -8.634 -5.030 2.507) 10.302 11.318 ( 2.857 -0.159 -3.902) 4.839 11.447 ( -12.933 -3.409 -3.279) 13.770 11.845 ( 0.631 -0.488 2.791) 2.902 12.000 ( -6.460 6.141 8.391) 12.242 12.513 ( 2.656 -8.620 -16.882) 19.140 12.698 ( 10.817 -0.895 -17.665) 20.733 12.761 ( -3.744 -15.271 -20.062) 25.489 13.003 ( 13.031 -14.625 -8.542) 21.370 13.194 ( -8.645 2.690 -5.874) 10.793 13.255 ( 4.121 -0.753 -2.707) 4.987 13.429 ( -0.993 -2.316 -12.345) 12.599 13.509 ( 10.528 -8.882 -1.424) 13.848 13.719 ( 3.190 15.884 3.066) 16.489 13.926 ( 3.006 6.829 9.997) 12.475 14.002 ( -23.286 -2.346 0.373) 23.407 14.123 ( -13.550 -5.310 14.169) 20.312 14.347 ( 6.523 -3.194 7.046) 10.119 14.619 ( 1.887 -15.388 8.169) 17.523 14.938 ( 4.950 6.517 -2.407) 8.530 15.009 ( -3.212 12.795 1.192) 13.246 15.205 ( -2.658 9.331 -6.129) 11.476 15.285 ( -2.336 2.083 2.645) 4.098 15.410 ( -1.916 11.979 -14.920) 19.229 15.467 ( -1.673 -8.429 0.316) 8.599 15.810 ( 11.993 -7.811 -8.752) 16.776 16.083 ( 3.086 1.641 -5.210) 6.273 16.280 ( -3.483 1.961 -2.137) 4.532 16.414 ( 1.519 4.762 8.950) 10.251 16.561 ( -11.639 -8.731 7.458) 16.349 16.765 ( -6.374 -6.936 14.949) 17.670 17.199 ( 1.238 2.142 0.674) 2.565 17.204 ( -1.877 3.423 6.739) 7.788 17.333 ( 10.153 -0.864 5.334) 11.502 17.462 ( 7.111 -4.214 2.030) 8.511 17.732 ( 13.585 12.196 11.438) 21.543 18.014 ( -6.028 2.927 0.227) 6.705 18.087 ( -5.251 1.209 0.028) 5.388 18.182 ( -8.478 -0.867 4.892) 9.827 18.437 ( 8.678 7.127 -6.497) 12.973 18.729 ( -6.737 18.420 -6.583) 20.688 18.839 ( 11.635 -3.276 -5.465) 13.266 19.125 ( -0.502 1.669 -2.392) 2.960 19.676 ( 3.127 0.316 -4.800) 5.737 19.765 ( 3.377 -6.344 -4.565) 8.514 20.113 ( -0.198 3.085 2.340) 3.877 20.291 ( -3.955 0.577 -3.179) 5.107 20.337 ( -3.028 -9.039 8.315) 12.649 20.460 ( 0.672 -3.296 -2.130) 3.981 20.538 ( -9.835 -5.489 5.223) 12.415 20.679 ( -8.308 -6.799 9.045) 14.038 25.526 ( 6.867 0.866 -0.080) 6.922 25.567 ( 6.635 -0.624 -0.121) 6.665 25.672 ( -1.775 3.750 2.510) 4.849 25.756 ( -3.106 -0.111 0.506) 3.149 26.395 ( 5.898 8.772 -9.307) 14.084 26.592 ( -0.581 5.135 -14.814) 15.689 26.730 ( 0.274 -2.524 -5.403) 5.970 26.866 ( -3.677 -3.483 -8.250) 9.680 27.402 ( 6.958 8.581 -5.055) 12.149 27.697 ( -6.390 10.132 3.193) 12.397 27.907 ( 10.137 -12.023 -5.560) 16.680 28.232 ( -2.906 -14.491 -1.776) 14.886 29.420 ( -1.504 8.923 -1.367) 9.152 29.527 ( -5.235 8.548 3.324) 10.560 29.759 ( 2.189 -7.271 3.297) 8.278 29.877 ( -3.472 -9.671 11.221) 15.215 ======================= Grid point 66 (28/96) ======================= q-point: (-0.50 0.33 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( -16.233 23.563 8.265) 29.783 3.635 ( 16.233 23.563 8.265) 29.783 3.966 ( -20.584 24.677 11.281) 34.057 3.966 ( 20.584 24.677 11.281) 34.057 4.619 ( -3.975 -9.740 8.691) 13.646 4.619 ( 3.975 -9.740 8.691) 13.646 5.156 ( -24.365 -14.383 7.895) 29.375 5.156 ( 24.365 -14.383 7.895) 29.375 5.330 ( -12.659 2.900 -3.678) 13.498 5.330 ( 12.659 2.900 -3.678) 13.498 5.977 ( -19.325 -1.115 11.020) 22.274 5.977 ( 19.325 -1.115 11.020) 22.274 6.267 ( -14.086 -8.775 2.204) 16.741 6.267 ( 14.086 -8.775 2.204) 16.741 6.723 ( -12.384 -10.663 5.922) 17.382 6.723 ( 12.384 -10.663 5.922) 17.382 7.348 ( -7.245 5.269 7.126) 11.447 7.348 ( 7.245 5.269 7.126) 11.447 7.762 ( -4.133 -7.153 -5.781) 10.083 7.762 ( 4.133 -7.153 -5.781) 10.083 8.325 ( -15.443 22.354 1.073) 27.191 8.325 ( 15.443 22.354 1.073) 27.191 8.559 ( -11.071 13.501 0.587) 17.470 8.559 ( 11.071 13.501 0.587) 17.470 9.013 ( -5.820 5.764 -2.464) 8.554 9.013 ( 5.820 5.764 -2.464) 8.554 9.197 ( -4.827 -5.425 -3.886) 8.237 9.197 ( 4.827 -5.425 -3.886) 8.237 9.609 ( -10.329 -6.502 -3.461) 12.686 9.609 ( 10.329 -6.502 -3.461) 12.686 9.831 ( -5.959 12.042 6.704) 15.016 9.831 ( 5.959 12.042 6.704) 15.016 9.980 ( -1.847 -3.501 2.267) 4.562 9.980 ( 1.847 -3.501 2.267) 4.562 10.207 ( -12.768 -0.541 -6.573) 14.370 10.207 ( 12.768 -0.541 -6.573) 14.370 10.485 ( -14.019 -4.435 0.093) 14.704 10.485 ( 14.019 -4.435 0.093) 14.704 10.925 ( -1.358 -11.863 -3.989) 12.590 10.925 ( 1.358 -11.863 -3.989) 12.590 11.146 ( -11.912 -1.683 -1.850) 12.171 11.146 ( 11.912 -1.683 -1.850) 12.171 11.322 ( -1.539 -4.685 -5.055) 7.061 11.322 ( 1.539 -4.685 -5.055) 7.061 11.905 ( -4.498 7.804 6.844) 11.313 11.905 ( 4.498 7.804 6.844) 11.313 12.633 ( -7.932 -9.407 -18.781) 22.453 12.633 ( 7.932 -9.407 -18.781) 22.453 12.921 ( -12.743 1.717 -13.520) 18.658 12.921 ( 12.743 1.717 -13.520) 18.658 13.255 ( -10.598 -13.046 -10.719) 19.935 13.255 ( 10.598 -13.046 -10.719) 19.935 13.582 ( -17.853 1.830 2.098) 18.068 13.582 ( 17.853 1.830 2.098) 18.068 13.690 ( -6.601 1.101 -0.760) 6.735 13.690 ( 6.601 1.101 -0.760) 6.735 13.965 ( -1.757 4.952 11.821) 12.936 13.965 ( 1.757 4.952 11.821) 12.936 14.521 ( -9.769 -4.369 13.815) 17.476 14.521 ( 9.769 -4.369 13.815) 17.476 15.019 ( -2.720 1.191 3.963) 4.952 15.019 ( 2.720 1.191 3.963) 4.952 15.167 ( -3.112 10.034 -12.942) 16.669 15.167 ( 3.112 10.034 -12.942) 16.669 15.441 ( -2.160 -1.265 -5.264) 5.829 15.441 ( 2.160 -1.265 -5.264) 5.829 16.043 ( -10.631 -11.724 -11.074) 19.316 16.043 ( 10.631 -11.724 -11.074) 19.316 16.320 ( -10.418 4.193 4.137) 11.968 16.320 ( 10.418 4.193 4.137) 11.968 16.576 ( -11.496 -3.011 14.017) 18.376 16.576 ( 11.496 -3.011 14.017) 18.376 17.191 ( -1.020 4.973 3.380) 6.099 17.191 ( 1.020 4.973 3.380) 6.099 17.505 ( -4.521 -4.196 3.985) 7.344 17.505 ( 4.521 -4.196 3.985) 7.344 17.961 ( -5.309 4.252 4.513) 8.163 17.961 ( 5.309 4.252 4.513) 8.163 17.997 ( -5.975 4.415 5.326) 9.141 17.997 ( 5.975 4.415 5.326) 9.141 18.592 ( -7.643 14.519 -8.067) 18.284 18.592 ( 7.643 14.519 -8.067) 18.284 19.032 ( -8.173 0.415 -6.930) 10.724 19.032 ( 8.173 0.415 -6.930) 10.724 19.775 ( -4.485 0.634 3.512) 5.732 19.775 ( 4.485 0.634 3.512) 5.732 20.157 ( -5.990 -7.599 -0.470) 9.687 20.157 ( 5.990 -7.599 -0.470) 9.687 20.375 ( -5.691 -4.911 4.287) 8.654 20.375 ( 5.691 -4.911 4.287) 8.654 20.543 ( -6.067 -4.989 1.979) 8.101 20.543 ( 6.067 -4.989 1.979) 8.101 25.623 ( -3.436 2.282 1.318) 4.330 25.623 ( 3.436 2.282 1.318) 4.330 25.680 ( -4.934 -0.376 -0.327) 4.959 25.680 ( 4.934 -0.376 -0.327) 4.959 26.514 ( -6.158 8.105 -10.221) 14.425 26.514 ( 6.158 8.105 -10.221) 14.425 26.787 ( -4.349 -3.991 -7.586) 9.612 26.787 ( 4.349 -3.991 -7.586) 9.612 27.546 ( -8.168 11.356 -1.536) 14.073 27.546 ( 8.168 11.356 -1.536) 14.073 28.112 ( -9.499 -15.313 -4.838) 18.658 28.112 ( 9.499 -15.313 -4.838) 18.658 29.440 ( -3.361 9.518 2.030) 10.296 29.440 ( 3.361 9.518 2.030) 10.296 29.811 ( -3.282 -8.772 7.024) 11.707 29.811 ( 3.282 -8.772 7.024) 11.707 ======================= Grid point 70 (29/96) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.271 ( 0.000 -45.339 16.413) 48.218 3.271 ( 0.000 45.339 16.413) 48.218 3.367 ( 0.000 -48.065 3.499) 48.193 3.367 ( 0.000 48.065 3.499) 48.193 4.610 ( 0.000 -12.222 15.060) 19.395 4.610 ( 0.000 12.222 15.060) 19.395 4.942 ( 0.000 -36.908 6.871) 37.542 4.942 ( 0.000 36.908 6.871) 37.542 5.532 ( 0.000 -13.267 12.163) 17.998 5.532 ( 0.000 13.267 12.163) 17.998 6.130 ( 0.000 -14.141 6.544) 15.582 6.130 ( 0.000 14.141 6.544) 15.582 6.746 ( 0.000 -0.897 -0.308) 0.948 6.746 ( 0.000 0.897 -0.308) 0.948 6.978 ( 0.000 -6.997 -0.811) 7.044 6.978 ( 0.000 6.997 -0.811) 7.044 7.561 ( 0.000 -2.850 -6.058) 6.695 7.561 ( 0.000 2.850 -6.058) 6.695 7.952 ( 0.000 -9.292 -4.709) 10.417 7.952 ( 0.000 9.292 -4.709) 10.417 8.051 ( 0.000 -1.468 6.479) 6.643 8.051 ( 0.000 1.468 6.479) 6.643 8.334 ( 0.000 -10.637 0.461) 10.647 8.334 ( 0.000 10.637 0.461) 10.647 8.751 ( 0.000 -6.098 1.308) 6.237 8.751 ( 0.000 6.098 1.308) 6.237 8.957 ( 0.000 -1.263 3.781) 3.987 8.957 ( 0.000 1.263 3.781) 3.987 9.525 ( 0.000 -1.206 -5.509) 5.640 9.525 ( 0.000 1.206 -5.509) 5.640 9.718 ( 0.000 -7.603 3.054) 8.193 9.718 ( 0.000 7.603 3.054) 8.193 10.120 ( 0.000 -3.670 -9.326) 10.022 10.120 ( 0.000 3.670 -9.326) 10.022 10.415 ( 0.000 -10.047 -5.670) 11.536 10.415 ( 0.000 10.047 -5.670) 11.536 10.676 ( 0.000 -14.418 15.825) 21.408 10.676 ( 0.000 14.418 15.825) 21.408 10.887 ( 0.000 -4.076 -13.491) 14.094 10.887 ( 0.000 4.076 -13.491) 14.094 11.201 ( 0.000 -3.824 -9.404) 10.152 11.201 ( 0.000 3.824 -9.404) 10.152 11.521 ( 0.000 -9.369 13.170) 16.162 11.521 ( 0.000 9.369 13.170) 16.162 12.076 ( 0.000 -13.321 -12.645) 18.367 12.076 ( 0.000 13.321 -12.645) 18.367 12.238 ( 0.000 -22.730 -2.916) 22.916 12.238 ( 0.000 22.730 -2.916) 22.916 12.615 ( 0.000 -3.488 7.497) 8.268 12.615 ( 0.000 3.488 7.497) 8.268 13.054 ( 0.000 -3.130 -2.996) 4.333 13.054 ( 0.000 3.130 -2.996) 4.333 13.490 ( 0.000 -2.547 -18.856) 19.027 13.490 ( 0.000 2.547 -18.856) 19.027 13.952 ( 0.000 -17.113 8.189) 18.971 13.952 ( 0.000 17.113 8.189) 18.971 14.075 ( 0.000 -3.126 -9.415) 9.920 14.075 ( 0.000 3.126 -9.415) 9.920 14.459 ( 0.000 -0.761 -5.505) 5.558 14.459 ( 0.000 0.761 -5.505) 5.558 14.953 ( 0.000 -8.871 4.006) 9.733 14.953 ( 0.000 8.871 4.006) 9.733 15.404 ( 0.000 -0.211 -17.741) 17.742 15.404 ( 0.000 0.211 -17.741) 17.742 15.645 ( 0.000 -3.572 1.305) 3.803 15.645 ( 0.000 3.572 1.305) 3.803 16.087 ( 0.000 -16.430 10.422) 19.457 16.087 ( 0.000 16.430 10.422) 19.457 16.442 ( 0.000 -10.685 18.280) 21.174 16.442 ( 0.000 10.685 18.280) 21.174 16.649 ( 0.000 -11.646 6.192) 13.190 16.649 ( 0.000 11.646 6.192) 13.190 17.103 ( 0.000 -12.458 -0.983) 12.496 17.103 ( 0.000 12.458 -0.983) 12.496 17.194 ( 0.000 -5.691 0.013) 5.691 17.194 ( 0.000 5.691 0.013) 5.691 17.818 ( 0.000 -16.480 -1.325) 16.534 17.818 ( 0.000 16.480 -1.325) 16.534 18.195 ( 0.000 -2.048 1.649) 2.630 18.195 ( 0.000 2.048 1.649) 2.630 18.358 ( 0.000 -3.299 8.228) 8.865 18.358 ( 0.000 3.299 8.228) 8.865 19.068 ( 0.000 -1.277 0.373) 1.330 19.068 ( 0.000 1.277 0.373) 1.330 19.700 ( 0.000 -3.359 -22.562) 22.810 19.700 ( 0.000 3.359 -22.562) 22.810 20.326 ( 0.000 -1.935 -0.469) 1.991 20.326 ( 0.000 1.935 -0.469) 1.991 20.373 ( 0.000 -9.247 -4.091) 10.111 20.373 ( 0.000 9.247 -4.091) 10.111 20.873 ( 0.000 -3.192 18.095) 18.375 20.873 ( 0.000 3.192 18.095) 18.375 25.328 ( 0.000 -0.277 0.494) 0.566 25.328 ( 0.000 0.277 0.494) 0.566 25.788 ( 0.000 -2.922 4.391) 5.274 25.788 ( 0.000 2.922 4.391) 5.274 26.436 ( 0.000 -6.990 -9.332) 11.660 26.436 ( 0.000 6.990 -9.332) 11.660 26.866 ( 0.000 -4.494 -13.465) 14.195 26.866 ( 0.000 4.494 -13.465) 14.195 27.376 ( 0.000 -7.738 -9.233) 12.046 27.376 ( 0.000 7.738 -9.233) 12.046 28.069 ( 0.000 -4.923 9.482) 10.684 28.069 ( 0.000 4.923 9.482) 10.684 29.649 ( 0.000 -0.333 -1.587) 1.621 29.649 ( 0.000 0.333 -1.587) 1.621 29.768 ( 0.000 -5.375 7.171) 8.962 29.768 ( 0.000 5.375 7.171) 8.962 ======================= Grid point 72 (30/96) ======================= q-point: ( 0.17 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.451 ( 16.675 -38.016 12.950) 43.485 3.451 ( 16.675 38.016 12.950) 43.485 3.500 ( 14.582 -38.297 6.431) 41.481 3.500 ( 14.582 38.297 6.431) 41.481 4.586 ( -2.632 -9.624 13.623) 16.886 4.586 ( -2.632 9.624 13.623) 16.886 5.058 ( 11.321 -34.099 3.095) 36.063 5.058 ( 11.321 34.099 3.095) 36.063 5.558 ( 0.206 -11.745 9.607) 15.176 5.558 ( 0.206 11.745 9.607) 15.176 5.903 ( -17.083 -18.141 12.723) 27.979 5.903 ( -17.083 18.141 12.723) 27.979 6.617 ( -17.991 -5.867 -7.150) 20.229 6.617 ( -17.991 5.867 -7.150) 20.229 6.903 ( -2.940 -7.305 5.666) 9.701 6.903 ( -2.940 7.305 5.666) 9.701 7.532 ( -3.012 -9.027 -4.327) 10.453 7.532 ( -3.012 9.027 -4.327) 10.453 7.942 ( -6.787 -4.428 2.692) 8.539 7.942 ( -6.787 4.428 2.692) 8.539 8.140 ( 9.399 -10.072 -3.330) 14.173 8.140 ( 9.399 10.072 -3.330) 14.173 8.340 ( 8.705 -7.124 4.690) 12.187 8.340 ( 8.705 7.124 4.690) 12.187 8.912 ( 12.017 -6.128 -3.683) 13.983 8.912 ( 12.017 6.128 -3.683) 13.983 9.104 ( 10.993 -6.298 4.076) 13.308 9.104 ( 10.993 6.298 4.076) 13.308 9.568 ( 4.805 -3.148 -4.678) 7.408 9.568 ( 4.805 3.148 -4.678) 7.408 9.693 ( -1.169 -8.302 2.681) 8.802 9.693 ( -1.169 8.302 2.681) 8.802 10.007 ( -11.035 -4.062 -6.789) 13.578 10.007 ( -11.035 4.062 -6.789) 13.578 10.350 ( -8.540 -17.059 -1.146) 19.112 10.350 ( -8.540 17.059 -1.146) 19.112 10.617 ( 1.325 -9.014 9.614) 13.245 10.617 ( 1.325 9.014 9.614) 13.245 10.965 ( 0.726 -7.225 -10.966) 13.152 10.965 ( 0.726 7.225 -10.966) 13.152 11.143 ( -5.709 -10.258 -8.629) 14.570 11.143 ( -5.709 10.258 -8.629) 14.570 11.424 ( -5.743 -12.655 9.726) 16.963 11.424 ( -5.743 12.655 9.726) 16.963 12.102 ( 1.399 -22.082 -10.179) 24.355 12.102 ( 1.399 22.082 -10.179) 24.355 12.308 ( 4.674 -18.772 -0.758) 19.360 12.308 ( 4.674 18.772 -0.758) 19.360 12.637 ( 3.812 -6.639 -7.870) 10.980 12.637 ( 3.812 6.639 -7.870) 10.980 13.112 ( 6.779 -4.778 2.844) 8.768 13.112 ( 6.779 4.778 2.844) 8.768 13.468 ( -4.052 -5.497 -19.441) 20.605 13.468 ( -4.052 5.497 -19.441) 20.605 13.946 ( 1.550 -11.563 9.167) 14.837 13.946 ( 1.550 11.563 9.167) 14.837 14.113 ( 3.460 -16.199 -1.541) 16.636 14.113 ( 3.460 16.199 -1.541) 16.636 14.404 ( -8.389 -1.208 -3.907) 9.333 14.404 ( -8.389 1.208 -3.907) 9.333 15.018 ( 5.947 -9.131 -0.584) 10.912 15.018 ( 5.947 9.131 -0.584) 10.912 15.318 ( -5.640 -9.107 -1.531) 10.820 15.318 ( -5.640 9.107 -1.531) 10.820 15.603 ( -3.250 -5.244 -7.498) 9.710 15.603 ( -3.250 5.244 -7.498) 9.710 15.974 ( -9.013 -18.018 4.168) 20.573 15.974 ( -9.013 18.018 4.168) 20.573 16.419 ( -3.268 -9.570 8.868) 13.450 16.419 ( -3.268 9.570 8.868) 13.450 16.671 ( 0.486 -4.341 10.140) 11.041 16.671 ( 0.486 4.341 10.140) 11.041 17.164 ( 6.044 -5.389 2.641) 8.517 17.164 ( 6.044 5.389 2.641) 8.517 17.229 ( 3.376 -1.900 1.905) 4.317 17.229 ( 3.376 1.900 1.905) 4.317 17.877 ( 4.586 -14.989 0.498) 15.683 17.877 ( 4.586 14.989 0.498) 15.683 18.246 ( -0.825 -0.409 1.939) 2.146 18.246 ( -0.825 0.409 1.939) 2.146 18.380 ( 8.477 -8.343 1.662) 12.010 18.380 ( 8.477 8.343 1.662) 12.010 19.080 ( 0.429 -4.541 0.317) 4.572 19.080 ( 0.429 4.541 0.317) 4.572 19.674 ( -1.738 -3.399 -18.824) 19.208 19.674 ( -1.738 3.399 -18.824) 19.208 20.287 ( -3.424 -5.404 2.125) 6.742 20.287 ( -3.424 5.404 2.125) 6.742 20.377 ( -0.284 -6.163 -3.995) 7.350 20.377 ( -0.284 6.163 -3.995) 7.350 20.752 ( -11.129 -3.949 16.132) 19.992 20.752 ( -11.129 3.949 16.132) 19.992 25.405 ( 7.024 -1.055 0.098) 7.103 25.405 ( 7.024 1.055 0.098) 7.103 25.773 ( -1.519 -2.735 3.638) 4.798 25.773 ( -1.519 2.735 3.638) 4.798 26.472 ( 3.616 -7.205 -9.007) 12.088 26.472 ( 3.616 7.205 -9.007) 12.088 26.840 ( -2.627 -4.784 -12.230) 13.393 26.840 ( -2.627 4.784 -12.230) 13.393 27.447 ( 7.081 -9.402 -9.367) 15.043 27.447 ( 7.081 9.402 -9.367) 15.043 28.046 ( -2.633 -8.162 7.459) 11.366 28.046 ( -2.633 8.162 7.459) 11.366 29.618 ( -2.409 -6.273 -0.532) 6.741 29.618 ( -2.409 6.273 -0.532) 6.741 29.756 ( -1.631 -7.219 7.098) 10.254 29.756 ( -1.631 7.219 7.098) 10.254 ======================= Grid point 74 (31/96) ======================= q-point: ( 0.33 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.781 ( 18.208 -23.773 6.142) 30.568 3.781 ( 18.208 23.773 6.142) 30.568 3.908 ( 23.360 -21.237 13.347) 34.276 3.908 ( 23.360 21.237 13.347) 34.276 4.520 ( -2.853 -10.827 10.957) 15.666 4.520 ( -2.853 10.827 10.957) 15.666 5.224 ( -20.081 -26.363 0.870) 33.151 5.224 ( -20.081 26.363 0.870) 33.151 5.347 ( 6.949 -22.721 0.087) 23.760 5.347 ( 6.949 22.721 0.087) 23.760 5.852 ( 2.991 -12.140 12.837) 17.920 5.852 ( 2.991 12.140 12.837) 17.920 6.256 ( -10.495 -5.672 -1.181) 11.988 6.256 ( -10.495 5.672 -1.181) 11.988 6.781 ( -12.102 -8.521 10.560) 18.182 6.781 ( -12.102 8.521 10.560) 18.182 7.487 ( -0.209 -12.106 -3.644) 12.644 7.487 ( -0.209 12.106 -3.644) 12.644 7.731 ( -11.726 -7.723 4.247) 14.669 7.731 ( -11.726 7.723 4.247) 14.669 8.424 ( 18.026 -12.442 -3.885) 22.245 8.424 ( 18.026 12.442 -3.885) 22.245 8.595 ( 15.602 -9.667 4.824) 18.978 8.595 ( 15.602 9.667 4.824) 18.978 9.027 ( -3.012 -11.734 -4.923) 13.076 9.027 ( -3.012 11.734 -4.923) 13.076 9.187 ( -5.261 -6.653 2.027) 8.721 9.187 ( -5.261 6.653 2.027) 8.721 9.650 ( -0.769 -4.323 -4.045) 5.970 9.650 ( -0.769 4.323 -4.045) 5.970 9.736 ( 6.631 -2.236 -3.420) 7.789 9.736 ( 6.631 2.236 -3.420) 7.789 9.892 ( 6.090 -5.766 1.055) 8.453 9.892 ( 6.090 5.766 1.055) 8.453 10.178 ( -6.553 -19.012 6.608) 21.168 10.178 ( -6.553 19.012 6.608) 21.168 10.672 ( -2.846 -21.170 -1.573) 21.419 10.672 ( -2.846 21.170 -1.573) 21.419 10.889 ( -6.593 -9.736 -1.312) 11.832 10.889 ( -6.593 9.736 -1.312) 11.832 10.987 ( -3.322 -9.457 -3.066) 10.482 10.987 ( -3.322 9.457 -3.066) 10.482 11.355 ( -5.215 -3.383 -3.381) 7.076 11.355 ( -5.215 3.383 -3.381) 7.076 12.163 ( 5.465 -21.116 -10.627) 24.263 12.163 ( 5.465 21.116 -10.627) 24.263 12.346 ( 0.107 -21.740 -2.988) 21.945 12.346 ( 0.107 21.740 -2.988) 21.945 12.776 ( 10.141 -7.823 -16.355) 20.774 12.776 ( 10.141 7.823 -16.355) 20.774 13.253 ( -1.759 -3.657 -4.327) 5.932 13.253 ( -1.759 3.657 -4.327) 5.932 13.371 ( 3.719 -3.652 -4.411) 6.828 13.371 ( 3.719 3.652 -4.411) 6.828 13.936 ( -11.225 -4.346 7.153) 14.002 13.936 ( -11.225 4.346 7.153) 14.002 14.160 ( 2.371 -3.851 4.371) 6.290 14.160 ( 2.371 3.851 4.371) 6.290 14.244 ( -0.334 -13.454 3.889) 14.009 14.244 ( -0.334 13.454 3.889) 14.009 15.117 ( 3.391 -8.423 -2.558) 9.434 15.117 ( 3.391 8.423 -2.558) 9.434 15.251 ( -3.007 -7.672 6.956) 10.783 15.251 ( -3.007 7.672 6.956) 10.783 15.573 ( 1.227 -13.441 -14.875) 20.086 15.573 ( 1.227 13.441 -14.875) 20.086 15.809 ( -7.827 -23.543 -5.284) 25.367 15.809 ( -7.827 23.543 -5.284) 25.367 16.376 ( 0.758 -7.736 6.687) 10.253 16.376 ( 0.758 7.736 6.687) 10.253 16.620 ( -5.883 -7.336 12.338) 15.513 16.620 ( -5.883 7.336 12.338) 15.513 17.268 ( 4.948 -4.718 0.421) 6.850 17.268 ( 4.948 4.718 0.421) 6.850 17.327 ( 5.139 -7.485 7.006) 11.468 17.327 ( 5.139 7.485 7.006) 11.468 17.948 ( 3.043 -7.937 1.964) 8.724 17.948 ( 3.043 7.937 1.964) 8.724 18.146 ( -7.087 -2.723 2.368) 7.953 18.146 ( -7.087 2.723 2.368) 7.953 18.648 ( 15.409 -12.650 -7.272) 21.221 18.648 ( 15.409 12.650 -7.272) 21.221 19.043 ( -5.060 -10.782 -3.390) 12.383 19.043 ( -5.060 10.782 -3.390) 12.383 19.703 ( 6.406 -1.545 -5.837) 8.803 19.703 ( 6.406 1.545 -5.837) 8.803 20.169 ( -10.543 -4.379 5.831) 12.819 20.169 ( -10.543 4.379 5.831) 12.819 20.375 ( 0.940 -4.717 -1.268) 4.974 20.375 ( 0.940 4.717 -1.268) 4.974 20.543 ( -8.941 -5.441 8.344) 13.385 20.543 ( -8.941 5.441 8.344) 13.385 25.547 ( 7.158 -1.181 -0.052) 7.255 25.547 ( 7.158 1.181 -0.052) 7.255 25.732 ( -2.915 -2.203 2.092) 4.210 25.732 ( -2.915 2.203 2.092) 4.210 26.562 ( 5.636 -7.189 -8.589) 12.538 26.562 ( 5.636 7.189 -8.589) 12.538 26.771 ( -4.552 -5.537 -10.181) 12.451 26.771 ( -4.552 5.537 -10.181) 12.451 27.618 ( 10.267 -12.510 -8.063) 18.081 27.618 ( 10.267 12.510 -8.063) 18.081 27.962 ( -6.312 -12.640 2.108) 14.284 27.962 ( -6.312 12.640 2.108) 14.284 29.592 ( 0.212 -8.433 2.038) 8.678 29.592 ( 0.212 8.433 2.038) 8.678 29.703 ( -3.793 -8.291 6.717) 11.325 29.703 ( -3.793 8.291 6.717) 11.325 ======================= Grid point 76 (32/96) ======================= q-point: (-0.50 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.074 ( -7.371 -16.494 9.780) 20.544 4.074 ( 4.758 -16.252 9.780) 19.556 4.074 ( -4.758 16.252 9.780) 19.556 4.074 ( 7.371 16.494 9.780) 20.544 4.705 ( -24.864 -21.433 8.765) 33.977 4.705 ( 23.691 -21.098 8.765) 32.912 4.705 ( -23.691 21.098 8.765) 32.912 4.705 ( 24.864 21.433 8.765) 33.977 5.634 ( -16.848 -20.478 -7.144) 27.463 5.634 ( 14.062 -19.945 -7.144) 25.428 5.634 ( -14.062 19.945 -7.144) 25.428 5.634 ( 16.848 20.478 -7.144) 27.463 6.454 ( -20.277 -15.308 14.203) 29.106 6.454 ( 20.245 -15.297 14.203) 29.079 6.454 ( -20.245 15.297 14.203) 29.079 6.454 ( 20.277 15.308 14.203) 29.106 7.551 ( -6.040 -12.457 0.914) 13.874 7.551 ( 4.689 -12.311 0.914) 13.205 7.551 ( -4.689 12.311 0.914) 13.205 7.551 ( 6.040 12.457 0.914) 13.874 8.749 ( -11.711 -9.904 -0.032) 15.338 8.749 ( 11.681 -9.895 -0.032) 15.309 8.749 ( -11.681 9.895 -0.032) 15.309 8.749 ( 11.711 9.904 -0.032) 15.338 8.964 ( -10.351 -10.174 -0.681) 14.530 8.964 ( 9.048 -9.858 -0.681) 13.398 8.964 ( -9.048 9.858 -0.681) 13.398 8.964 ( 10.351 10.174 -0.681) 14.530 9.723 ( -4.920 -15.219 -5.966) 17.071 9.723 ( 3.987 -15.151 -5.966) 16.764 9.723 ( -3.987 15.151 -5.966) 16.764 9.723 ( 4.920 15.219 -5.966) 17.071 10.090 ( -7.407 -8.678 7.377) 13.586 10.090 ( 5.136 -8.257 7.377) 12.206 10.090 ( -5.136 8.257 7.377) 12.206 10.090 ( 7.407 8.678 7.377) 13.586 10.656 ( -6.990 -16.337 -3.298) 18.073 10.656 ( 4.619 -16.125 -3.298) 17.095 10.656 ( -4.619 16.125 -3.298) 17.095 10.656 ( 6.990 16.337 -3.298) 18.073 11.171 ( -11.273 -5.080 -3.050) 12.735 11.171 ( -7.532 -2.868 -3.050) 8.617 11.171 ( 7.532 2.868 -3.050) 8.617 11.171 ( 11.273 5.080 -3.050) 12.735 12.287 ( -5.566 -23.157 -9.905) 25.794 12.287 ( 5.097 -23.130 -9.905) 25.673 12.287 ( -5.097 23.130 -9.905) 25.673 12.287 ( 5.566 23.157 -9.905) 25.794 13.027 ( -15.200 -8.801 -11.074) 20.764 13.027 ( 8.197 -6.041 -11.074) 15.044 13.027 ( -8.197 6.041 -11.074) 15.044 13.027 ( 15.200 8.801 -11.074) 20.764 13.621 ( -16.669 -3.894 3.221) 17.418 13.621 ( -16.660 3.886 3.221) 17.408 13.621 ( 16.660 -3.886 3.221) 17.408 13.621 ( 16.669 3.894 3.221) 17.418 14.243 ( -2.763 -18.157 7.880) 19.985 14.243 ( 2.731 -18.156 7.880) 19.980 14.243 ( -2.731 18.156 7.880) 19.980 14.243 ( 2.763 18.157 7.880) 19.985 15.174 ( -3.241 -8.509 1.913) 9.304 15.174 ( 2.303 -8.432 1.913) 8.948 15.174 ( -2.303 8.432 1.913) 8.948 15.174 ( 3.241 8.509 1.913) 9.304 15.665 ( -7.228 -21.306 -13.200) 26.085 15.665 ( 7.010 -21.288 -13.200) 26.011 15.665 ( -7.010 21.288 -13.200) 26.011 15.665 ( 7.228 21.306 -13.200) 26.085 16.473 ( -8.231 -7.907 10.921) 15.797 16.473 ( 7.902 -7.822 10.921) 15.586 16.473 ( -7.902 7.822 10.921) 15.586 16.473 ( 8.231 7.907 10.921) 15.797 17.352 ( -2.151 -9.731 3.941) 10.716 17.352 ( 1.838 -9.715 3.941) 10.643 17.352 ( -1.838 9.715 3.941) 10.643 17.352 ( 2.151 9.731 3.941) 10.716 18.021 ( -5.341 -1.676 1.479) 5.790 18.021 ( -4.760 1.159 1.479) 5.118 18.021 ( 4.760 -1.159 1.479) 5.118 18.021 ( 5.341 1.676 1.479) 5.790 18.894 ( -10.423 -13.334 -7.372) 18.460 18.894 ( 10.399 -13.329 -7.372) 18.443 18.894 ( -10.399 13.329 -7.372) 18.443 18.894 ( 10.423 13.334 -7.372) 18.460 19.913 ( -8.362 -10.981 4.395) 14.485 19.913 ( -5.881 -10.571 4.395) 12.870 19.913 ( 5.881 10.571 4.395) 12.870 19.913 ( 8.362 10.981 4.395) 14.485 20.425 ( -4.138 -6.089 2.098) 7.655 20.425 ( 3.825 -6.038 2.098) 7.449 20.425 ( -3.825 6.038 2.098) 7.449 20.425 ( 4.138 6.089 2.098) 7.655 25.660 ( -4.777 -1.522 0.703) 5.063 25.660 ( -4.569 1.353 0.703) 4.816 25.660 ( 4.569 -1.353 0.703) 4.816 25.660 ( 4.777 1.522 0.703) 5.063 26.672 ( -5.402 -7.261 -8.865) 12.668 26.672 ( 4.199 -7.059 -8.865) 12.085 26.672 ( -4.199 7.059 -8.865) 12.085 26.672 ( 5.402 7.261 -8.865) 12.668 27.810 ( -9.348 -14.724 -3.971) 17.887 27.810 ( 8.820 -14.643 -3.971) 17.549 27.810 ( -8.820 14.643 -3.971) 17.549 27.810 ( 9.348 14.724 -3.971) 17.887 29.629 ( -3.286 -9.469 4.977) 11.191 29.629 ( 3.121 -9.455 4.977) 11.132 29.629 ( -3.121 9.455 4.977) 11.132 29.629 ( 3.286 9.469 4.977) 11.191 ======================= Grid point 98 (33/96) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.256 ( 0.000 0.000 55.404) 55.404 2.267 ( 0.000 0.000 56.483) 56.483 3.232 ( 0.000 0.000 74.102) 74.102 4.830 ( 0.000 0.000 20.925) 20.925 5.147 ( 0.000 0.000 18.196) 18.196 5.226 ( 0.000 0.000 15.746) 15.746 5.269 ( 0.000 0.000 5.537) 5.537 5.518 ( 0.000 0.000 4.612) 4.612 5.523 ( 0.000 0.000 1.135) 1.135 5.539 ( 0.000 0.000 21.792) 21.792 5.766 ( 0.000 0.000 -11.507) 11.507 6.486 ( 0.000 0.000 -14.187) 14.187 6.820 ( 0.000 0.000 -7.288) 7.288 6.968 ( 0.000 0.000 -1.695) 1.695 7.096 ( 0.000 0.000 5.723) 5.723 7.184 ( 0.000 0.000 3.109) 3.109 7.527 ( 0.000 0.000 3.696) 3.696 7.805 ( 0.000 0.000 4.565) 4.565 7.875 ( 0.000 0.000 3.643) 3.643 7.894 ( 0.000 0.000 -10.295) 10.295 7.943 ( 0.000 0.000 -16.769) 16.769 8.024 ( 0.000 0.000 -9.947) 9.947 8.315 ( 0.000 0.000 8.814) 8.814 8.495 ( 0.000 0.000 1.436) 1.436 8.521 ( 0.000 0.000 0.344) 0.344 8.574 ( 0.000 0.000 2.952) 2.952 8.798 ( 0.000 0.000 0.594) 0.594 8.805 ( 0.000 0.000 -1.744) 1.744 8.830 ( 0.000 0.000 -0.986) 0.986 9.231 ( 0.000 0.000 -11.625) 11.625 9.457 ( 0.000 0.000 0.383) 0.383 9.527 ( 0.000 0.000 4.091) 4.091 9.554 ( 0.000 0.000 14.419) 14.419 9.933 ( 0.000 0.000 -1.043) 1.043 10.043 ( 0.000 0.000 -7.815) 7.815 10.081 ( 0.000 0.000 -17.338) 17.338 10.180 ( 0.000 0.000 0.860) 0.860 10.605 ( 0.000 0.000 -7.382) 7.382 10.743 ( 0.000 0.000 -4.420) 4.420 11.125 ( 0.000 0.000 5.749) 5.749 11.180 ( 0.000 0.000 1.540) 1.540 11.357 ( 0.000 0.000 3.048) 3.048 11.490 ( 0.000 0.000 1.650) 1.650 12.056 ( 0.000 0.000 6.017) 6.017 12.520 ( 0.000 0.000 -26.214) 26.214 12.761 ( 0.000 0.000 -21.567) 21.567 12.787 ( 0.000 0.000 -10.184) 10.184 12.792 ( 0.000 0.000 -10.532) 10.532 12.829 ( 0.000 0.000 0.848) 0.848 13.031 ( 0.000 0.000 2.011) 2.011 13.167 ( 0.000 0.000 -11.784) 11.784 13.275 ( 0.000 0.000 4.252) 4.252 13.306 ( 0.000 0.000 -13.577) 13.577 13.373 ( 0.000 0.000 10.332) 10.332 13.572 ( 0.000 0.000 -12.584) 12.584 13.587 ( 0.000 0.000 -20.574) 20.574 14.122 ( 0.000 0.000 -4.157) 4.157 14.368 ( 0.000 0.000 -15.382) 15.382 14.489 ( 0.000 0.000 3.139) 3.139 14.531 ( 0.000 0.000 17.144) 17.144 14.652 ( 0.000 0.000 -17.459) 17.459 14.797 ( 0.000 0.000 -8.272) 8.272 15.001 ( 0.000 0.000 14.360) 14.360 15.292 ( 0.000 0.000 -5.652) 5.652 15.394 ( 0.000 0.000 -1.788) 1.788 15.596 ( 0.000 0.000 19.774) 19.774 15.643 ( 0.000 0.000 6.506) 6.506 16.037 ( 0.000 0.000 -0.372) 0.372 16.345 ( 0.000 0.000 -4.841) 4.841 16.522 ( 0.000 0.000 11.140) 11.140 16.540 ( 0.000 0.000 22.887) 22.887 16.920 ( 0.000 0.000 -23.201) 23.201 17.122 ( 0.000 0.000 15.212) 15.212 17.263 ( 0.000 0.000 -6.294) 6.294 17.448 ( 0.000 0.000 17.138) 17.138 17.692 ( 0.000 0.000 -5.487) 5.487 17.768 ( 0.000 0.000 14.008) 14.008 17.947 ( 0.000 0.000 8.825) 8.825 17.958 ( 0.000 0.000 14.376) 14.376 18.206 ( 0.000 0.000 -1.682) 1.682 18.483 ( 0.000 0.000 6.155) 6.155 18.608 ( 0.000 0.000 0.272) 0.272 18.835 ( 0.000 0.000 1.618) 1.618 18.917 ( 0.000 0.000 16.243) 16.243 19.269 ( 0.000 0.000 -28.895) 28.895 19.777 ( 0.000 0.000 0.986) 0.986 19.845 ( 0.000 0.000 -4.364) 4.364 20.153 ( 0.000 0.000 -5.538) 5.538 20.236 ( 0.000 0.000 -4.768) 4.768 20.822 ( 0.000 0.000 -6.086) 6.086 20.929 ( 0.000 0.000 -0.373) 0.373 21.151 ( 0.000 0.000 6.350) 6.350 25.390 ( 0.000 0.000 2.270) 2.270 25.408 ( 0.000 0.000 4.124) 4.124 25.596 ( 0.000 0.000 4.376) 4.376 25.597 ( 0.000 0.000 3.881) 3.881 25.810 ( 0.000 0.000 -10.148) 10.148 26.121 ( 0.000 0.000 -14.581) 14.581 26.649 ( 0.000 0.000 -6.984) 6.984 26.841 ( 0.000 0.000 -9.387) 9.387 27.173 ( 0.000 0.000 -0.184) 0.184 27.735 ( 0.000 0.000 1.381) 1.381 28.302 ( 0.000 0.000 12.403) 12.403 28.761 ( 0.000 0.000 -6.240) 6.240 28.767 ( 0.000 0.000 0.522) 0.522 29.321 ( 0.000 0.000 -12.075) 12.075 29.859 ( 0.000 0.000 8.694) 8.694 30.667 ( 0.000 0.000 -5.947) 5.947 ======================= Grid point 99 (34/96) ======================= q-point: ( 0.17 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 7.484 0.000 52.239) 52.773 2.434 ( 18.161 0.000 49.387) 52.621 3.725 ( 39.635 0.000 58.086) 70.320 4.753 ( -8.115 0.000 20.564) 22.108 4.834 ( -33.135 0.000 5.985) 33.671 5.149 ( -0.221 0.000 18.756) 18.757 5.204 ( -1.686 0.000 15.152) 15.246 5.431 ( 6.395 0.000 8.607) 10.723 5.508 ( -5.419 0.000 14.169) 15.170 5.665 ( -5.670 0.000 5.972) 8.235 6.066 ( 28.746 0.000 -1.903) 28.809 6.528 ( 3.605 0.000 -13.282) 13.762 6.669 ( -8.873 0.000 -10.974) 14.113 6.747 ( -17.866 0.000 -1.589) 17.936 7.030 ( -9.741 0.000 2.967) 10.183 7.164 ( -3.807 0.000 0.751) 3.880 7.404 ( -10.159 0.000 4.294) 11.029 7.734 ( -4.651 0.000 1.123) 4.785 7.873 ( -9.491 0.000 -10.309) 14.013 7.932 ( 4.645 0.000 6.345) 7.864 8.098 ( 13.934 0.000 -4.156) 14.540 8.104 ( 8.031 0.000 -7.534) 11.012 8.330 ( 0.404 0.000 10.725) 10.733 8.442 ( -2.731 0.000 -1.896) 3.324 8.515 ( -0.726 0.000 0.956) 1.200 8.580 ( 0.017 0.000 2.352) 2.352 8.864 ( 5.341 0.000 -2.997) 6.125 8.940 ( 4.063 0.000 3.153) 5.143 9.041 ( 19.345 0.000 -4.634) 19.892 9.162 ( -2.043 0.000 -9.932) 10.140 9.488 ( 6.322 0.000 -1.355) 6.466 9.528 ( -7.254 0.000 2.345) 7.624 9.615 ( 3.744 0.000 4.449) 5.815 9.663 ( 0.987 0.000 -2.498) 2.686 10.053 ( -2.385 0.000 -17.020) 17.187 10.315 ( 13.366 0.000 6.288) 14.771 10.322 ( 11.672 0.000 -2.080) 11.855 10.647 ( 3.026 0.000 -7.978) 8.533 10.670 ( -7.483 0.000 -4.352) 8.656 10.958 ( -14.485 0.000 -0.599) 14.498 11.205 ( 7.040 0.000 2.197) 7.375 11.304 ( -3.445 0.000 0.176) 3.449 11.750 ( 16.709 0.000 0.322) 16.712 12.106 ( 2.826 0.000 8.136) 8.612 12.326 ( -13.335 0.000 -22.950) 26.543 12.531 ( -13.849 0.000 -3.894) 14.386 12.616 ( -21.392 0.000 -21.408) 30.264 12.645 ( -14.744 0.000 -9.295) 17.429 12.868 ( 3.663 0.000 -11.342) 11.919 13.084 ( -14.470 0.000 -8.729) 16.899 13.103 ( 6.243 0.000 4.470) 7.678 13.226 ( 5.794 0.000 1.345) 5.948 13.258 ( 7.520 0.000 -4.653) 8.843 13.388 ( 0.453 0.000 1.099) 1.188 13.757 ( 3.132 0.000 -10.812) 11.257 13.857 ( 6.067 0.000 -12.701) 14.075 14.015 ( -0.101 0.000 -8.831) 8.832 14.213 ( 2.146 0.000 -4.756) 5.218 14.339 ( -15.959 0.000 -7.985) 17.845 14.472 ( -7.869 0.000 -0.481) 7.884 14.797 ( 0.692 0.000 0.707) 0.989 14.870 ( 6.789 0.000 1.695) 6.997 14.997 ( 2.027 0.000 18.514) 18.624 15.411 ( 1.061 0.000 1.559) 1.886 15.440 ( 7.155 0.000 -10.196) 12.456 15.615 ( 1.645 0.000 11.338) 11.457 15.782 ( -3.463 0.000 10.819) 11.360 15.806 ( 14.251 0.000 8.266) 16.475 16.052 ( -16.743 0.000 1.069) 16.777 16.369 ( 2.671 0.000 -5.170) 5.819 16.923 ( 2.259 0.000 -4.807) 5.312 17.018 ( -9.887 0.000 12.860) 16.221 17.199 ( -8.470 0.000 -6.080) 10.426 17.237 ( 24.310 0.000 -2.724) 24.462 17.500 ( 8.767 0.000 15.850) 18.113 17.568 ( -5.808 0.000 5.720) 8.152 17.812 ( -1.043 0.000 5.053) 5.159 17.894 ( -2.693 0.000 17.283) 17.491 18.118 ( 11.280 0.000 -1.008) 11.324 18.223 ( 0.402 0.000 0.639) 0.755 18.291 ( -14.208 0.000 10.561) 17.703 18.441 ( -8.070 0.000 1.310) 8.175 18.861 ( -2.379 0.000 8.717) 9.036 18.883 ( -4.257 0.000 -10.319) 11.162 19.482 ( 17.405 0.000 -3.324) 17.720 19.887 ( 4.208 0.000 -4.624) 6.252 19.917 ( 11.127 0.000 -3.203) 11.579 20.162 ( 1.514 0.000 -6.628) 6.798 20.222 ( -1.335 0.000 -5.240) 5.407 20.718 ( -7.391 0.000 -5.490) 9.207 20.936 ( -1.498 0.000 -0.486) 1.575 21.081 ( -7.361 0.000 5.840) 9.396 25.382 ( 3.831 0.000 2.028) 4.335 25.556 ( 8.448 0.000 -0.349) 8.456 25.596 ( 0.026 0.000 4.340) 4.340 25.598 ( 0.005 0.000 3.937) 3.937 25.848 ( 4.325 0.000 -10.567) 11.418 26.127 ( 0.675 0.000 -14.756) 14.771 26.646 ( -0.475 0.000 -7.738) 7.752 26.810 ( -3.395 0.000 -9.511) 10.099 27.204 ( 3.271 0.000 0.698) 3.344 27.718 ( -3.976 0.000 1.845) 4.383 28.214 ( -3.313 0.000 12.294) 12.732 28.787 ( -0.461 0.000 -1.273) 1.354 28.795 ( 3.530 0.000 -6.630) 7.511 29.279 ( -4.238 0.000 -11.675) 12.420 29.911 ( 5.098 0.000 8.081) 9.555 30.572 ( -8.805 0.000 -0.736) 8.836 ======================= Grid point 100 (35/96) ======================= q-point: ( 0.33 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.660 ( 33.685 0.000 32.669) 46.924 2.897 ( 29.604 0.000 36.780) 47.214 4.063 ( -20.455 0.000 19.709) 28.405 4.180 ( -35.483 0.000 14.026) 38.155 4.808 ( 23.691 0.000 27.754) 36.490 5.148 ( 0.121 0.000 17.745) 17.746 5.175 ( -1.299 0.000 15.489) 15.543 5.323 ( -9.467 0.000 7.671) 12.185 5.614 ( 12.739 0.000 6.818) 14.449 5.785 ( 19.663 0.000 34.958) 40.109 6.286 ( -19.531 0.000 -0.918) 19.552 6.573 ( -1.441 0.000 -10.469) 10.568 6.626 ( 24.470 0.000 -4.613) 24.901 6.691 ( 9.524 0.000 -8.055) 12.474 6.797 ( -12.681 0.000 -1.777) 12.805 7.043 ( -8.411 0.000 -5.068) 9.820 7.100 ( -24.650 0.000 16.744) 29.799 7.578 ( -20.781 0.000 -2.728) 20.960 7.698 ( 1.405 0.000 -3.166) 3.463 7.962 ( -6.148 0.000 3.332) 6.993 8.159 ( 1.168 0.000 8.995) 9.071 8.275 ( 9.088 0.000 -1.965) 9.298 8.391 ( 0.645 0.000 0.198) 0.675 8.473 ( 5.527 0.000 2.616) 6.115 8.487 ( -2.159 0.000 2.510) 3.311 8.603 ( 2.865 0.000 -1.357) 3.170 8.768 ( -12.599 0.000 8.870) 15.408 8.840 ( -6.748 0.000 -5.040) 8.423 9.304 ( 13.689 0.000 -12.779) 18.727 9.405 ( 15.889 0.000 -3.223) 16.213 9.547 ( 10.582 0.000 -9.073) 13.939 9.642 ( -1.709 0.000 -5.146) 5.422 9.795 ( 9.901 0.000 -4.041) 10.694 9.836 ( 22.094 0.000 -3.721) 22.405 10.046 ( 3.423 0.000 -12.828) 13.276 10.352 ( -8.737 0.000 -4.870) 10.003 10.461 ( -12.350 0.000 -3.732) 12.901 10.583 ( -11.713 0.000 5.029) 12.747 10.646 ( 18.854 0.000 6.584) 19.971 10.844 ( 6.225 0.000 -4.954) 7.956 11.276 ( -3.882 0.000 -1.728) 4.249 11.374 ( 11.813 0.000 -3.351) 12.279 11.757 ( -20.885 0.000 -8.578) 22.578 11.981 ( -5.795 0.000 -10.762) 12.223 12.212 ( -17.451 0.000 -2.188) 17.588 12.273 ( -8.167 0.000 -10.157) 13.033 12.439 ( 7.201 0.000 -7.985) 10.752 12.481 ( 8.764 0.000 -1.054) 8.827 12.809 ( -10.979 0.000 -12.798) 16.862 13.031 ( 10.805 0.000 -18.085) 21.067 13.214 ( -15.560 0.000 8.104) 17.544 13.281 ( 11.877 0.000 5.958) 13.288 13.342 ( 2.670 0.000 4.593) 5.313 13.412 ( 3.622 0.000 3.250) 4.867 13.641 ( -4.444 0.000 -3.586) 5.710 13.715 ( -15.151 0.000 -17.292) 22.991 14.028 ( -8.786 0.000 -2.302) 9.082 14.171 ( 5.319 0.000 -12.200) 13.309 14.293 ( -7.958 0.000 -15.837) 17.724 14.349 ( -6.735 0.000 13.726) 15.289 14.841 ( 6.023 0.000 -2.838) 6.658 14.884 ( 10.119 0.000 4.311) 10.999 15.085 ( 5.361 0.000 15.943) 16.820 15.394 ( -11.490 0.000 -6.842) 13.373 15.420 ( -0.097 0.000 6.895) 6.895 15.586 ( -5.559 0.000 5.200) 7.612 15.922 ( 12.358 0.000 -3.350) 12.804 16.120 ( 18.003 0.000 8.402) 19.867 16.188 ( 24.055 0.000 -5.664) 24.713 16.445 ( 5.088 0.000 -3.992) 6.467 16.771 ( -11.677 0.000 -5.728) 13.006 16.798 ( -12.173 0.000 10.507) 16.080 16.940 ( -16.758 0.000 -9.171) 19.104 17.460 ( -24.972 0.000 0.477) 24.977 17.567 ( 5.059 0.000 12.231) 13.236 17.587 ( 14.924 0.000 4.401) 15.559 17.800 ( 13.330 0.000 14.727) 19.864 17.977 ( -14.557 0.000 12.774) 19.367 17.999 ( 5.619 0.000 8.688) 10.346 18.257 ( 4.712 0.000 6.942) 8.390 18.374 ( -1.485 0.000 5.233) 5.440 18.377 ( 12.052 0.000 -8.925) 14.997 18.722 ( -11.281 0.000 15.013) 18.779 18.764 ( -7.945 0.000 -17.173) 18.922 19.771 ( 11.301 0.000 5.378) 12.515 19.957 ( 1.133 0.000 -0.818) 1.398 20.079 ( 5.119 0.000 -6.214) 8.051 20.191 ( -2.022 0.000 -5.883) 6.221 20.274 ( 12.204 0.000 -7.263) 14.202 20.639 ( 0.502 0.000 -4.557) 4.585 20.859 ( -6.196 0.000 -1.014) 6.278 20.879 ( -13.768 0.000 4.009) 14.340 25.501 ( 7.428 0.000 -0.789) 7.469 25.596 ( 0.039 0.000 4.262) 4.262 25.598 ( -0.008 0.000 4.055) 4.055 25.652 ( 1.318 0.000 -2.286) 2.639 25.976 ( 8.370 0.000 -10.402) 13.351 26.144 ( 0.655 0.000 -14.064) 14.079 26.626 ( -1.368 0.000 -10.078) 10.170 26.715 ( -6.140 0.000 -10.472) 12.139 27.290 ( 5.514 0.000 2.865) 6.214 27.567 ( -9.667 0.000 5.561) 11.153 28.293 ( 10.007 0.000 4.987) 11.181 28.708 ( -7.744 0.000 -1.898) 7.974 28.890 ( 6.355 0.000 -7.690) 9.975 29.170 ( -7.062 0.000 -10.594) 12.731 30.033 ( 7.582 0.000 7.669) 10.784 30.382 ( -10.469 0.000 5.463) 11.809 ======================= Grid point 101 (36/96) ======================= q-point: (-0.50 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.399 ( -41.319 0.000 18.441) 45.247 3.399 ( 41.319 0.000 18.441) 45.247 3.512 ( -34.633 0.000 24.309) 42.313 3.512 ( 34.633 0.000 24.309) 42.313 5.156 ( -9.919 0.000 13.129) 16.454 5.156 ( 6.089 0.000 14.535) 15.759 5.156 ( -1.525 0.000 16.211) 16.282 5.156 ( 5.355 0.000 14.806) 15.744 5.910 ( -18.394 0.000 3.634) 18.749 5.910 ( 18.394 0.000 3.634) 18.749 6.394 ( -36.709 0.000 37.491) 52.470 6.394 ( 36.709 0.000 37.491) 52.470 6.649 ( -7.452 0.000 -7.703) 10.718 6.649 ( 7.452 0.000 -7.703) 10.718 6.864 ( -10.068 0.000 -10.261) 14.375 6.864 ( 10.068 0.000 -10.261) 14.375 7.131 ( -25.646 0.000 -0.475) 25.651 7.131 ( 25.646 0.000 -0.475) 25.651 7.788 ( -8.001 0.000 -1.929) 8.230 7.788 ( 8.001 0.000 -1.929) 8.230 8.279 ( -8.618 0.000 4.909) 9.918 8.279 ( 8.618 0.000 4.909) 9.918 8.418 ( -5.586 0.000 2.929) 6.307 8.418 ( 5.586 0.000 2.929) 6.307 8.602 ( -7.154 0.000 7.439) 10.321 8.602 ( 7.154 0.000 7.439) 10.321 8.698 ( -7.058 0.000 -5.395) 8.884 8.698 ( 7.058 0.000 -5.395) 8.884 9.536 ( -9.393 0.000 -11.430) 14.795 9.536 ( 9.393 0.000 -11.430) 14.795 9.630 ( -6.544 0.000 -7.387) 9.869 9.630 ( 6.544 0.000 -7.387) 9.869 10.001 ( -10.898 0.000 -13.476) 17.331 10.001 ( 10.898 0.000 -13.476) 17.331 10.207 ( -12.654 0.000 -7.274) 14.595 10.207 ( 12.654 0.000 -7.274) 14.595 10.319 ( -13.256 0.000 6.911) 14.950 10.319 ( 13.256 0.000 6.911) 14.950 11.024 ( -19.390 0.000 2.326) 19.529 11.024 ( 19.390 0.000 2.326) 19.529 11.161 ( -25.827 0.000 -4.889) 26.286 11.161 ( 25.827 0.000 -4.889) 26.286 11.816 ( -22.515 0.000 -2.174) 22.620 11.816 ( 22.515 0.000 -2.174) 22.620 12.053 ( -10.537 0.000 -13.883) 17.429 12.053 ( 10.537 0.000 -13.883) 17.429 12.635 ( -9.302 0.000 -13.909) 16.733 12.635 ( 9.302 0.000 -13.909) 16.733 12.821 ( -22.077 0.000 8.077) 23.508 12.821 ( 22.077 0.000 8.077) 23.508 13.280 ( -12.873 0.000 -22.735) 26.126 13.280 ( 12.873 0.000 -22.735) 26.126 13.468 ( -4.781 0.000 15.994) 16.693 13.468 ( 4.781 0.000 15.994) 16.693 13.511 ( -10.860 0.000 4.588) 11.789 13.511 ( 10.860 0.000 4.588) 11.789 14.084 ( -12.740 0.000 3.461) 13.202 14.084 ( 12.740 0.000 3.461) 13.202 14.209 ( -2.401 0.000 -15.893) 16.073 14.209 ( 2.401 0.000 -15.893) 16.073 15.094 ( -7.155 0.000 6.281) 9.521 15.094 ( 7.155 0.000 6.281) 9.521 15.110 ( -16.658 0.000 -7.422) 18.237 15.110 ( 16.658 0.000 -7.422) 18.237 15.452 ( -5.505 0.000 8.289) 9.950 15.452 ( 5.505 0.000 8.289) 9.950 16.240 ( -16.772 0.000 -5.328) 17.598 16.240 ( 16.772 0.000 -5.328) 17.598 16.440 ( -12.658 0.000 10.184) 16.246 16.440 ( 12.658 0.000 10.184) 16.246 16.680 ( -6.699 0.000 -8.446) 10.780 16.680 ( 6.699 0.000 -8.446) 10.780 16.938 ( -27.262 0.000 -4.137) 27.574 16.938 ( 27.262 0.000 -4.137) 27.574 17.728 ( -11.370 0.000 13.698) 17.802 17.728 ( 11.370 0.000 13.698) 17.802 17.821 ( -8.662 0.000 9.221) 12.651 17.821 ( 8.662 0.000 9.221) 12.651 18.186 ( -11.413 0.000 8.528) 14.247 18.186 ( 11.413 0.000 8.528) 14.247 18.492 ( -11.688 0.000 13.268) 17.682 18.492 ( 11.688 0.000 13.268) 17.682 18.590 ( -10.369 0.000 -14.497) 17.823 18.590 ( 10.369 0.000 -14.497) 17.823 19.916 ( -4.863 0.000 1.859) 5.206 19.916 ( 4.863 0.000 1.859) 5.206 20.143 ( -2.770 0.000 -6.699) 7.249 20.143 ( 2.770 0.000 -6.699) 7.249 20.577 ( -17.475 0.000 -0.248) 17.477 20.577 ( 17.475 0.000 -0.248) 17.477 20.725 ( -7.118 0.000 -2.613) 7.582 20.725 ( 7.118 0.000 -2.613) 7.582 25.597 ( -0.030 0.000 4.168) 4.168 25.597 ( 0.030 0.000 4.168) 4.168 25.619 ( -4.389 0.000 -2.187) 4.903 25.619 ( 4.389 0.000 -2.187) 4.903 26.114 ( -4.836 0.000 -11.074) 12.084 26.114 ( 4.836 0.000 -11.074) 12.084 26.624 ( -2.230 0.000 -11.834) 12.042 26.624 ( 2.230 0.000 -11.834) 12.042 27.408 ( -7.102 0.000 5.088) 8.737 27.408 ( 7.102 0.000 5.088) 8.737 28.514 ( -12.015 0.000 0.078) 12.015 28.514 ( 12.015 0.000 0.078) 12.015 29.026 ( -7.735 0.000 -9.136) 11.971 29.026 ( 7.735 0.000 -9.136) 11.971 30.194 ( -9.328 0.000 7.534) 11.991 30.194 ( 9.328 0.000 7.534) 11.991 ======================= Grid point 105 (37/96) ======================= q-point: ( 0.00 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.353 ( 0.000 13.469 51.713) 53.439 2.475 ( 0.000 20.178 50.672) 54.541 3.662 ( 0.000 36.876 58.493) 69.146 4.847 ( 0.000 1.248 20.844) 20.881 4.943 ( 0.000 -22.839 9.457) 24.719 5.025 ( 0.000 -21.604 9.155) 23.463 5.165 ( 0.000 -3.194 21.572) 21.808 5.519 ( 0.000 3.194 -5.201) 6.103 5.574 ( 0.000 4.137 16.389) 16.903 5.651 ( 0.000 10.076 11.816) 15.529 5.880 ( 0.000 0.836 -0.974) 1.284 6.310 ( 0.000 -6.128 -8.960) 10.855 6.836 ( 0.000 -6.391 -4.625) 7.888 6.936 ( 0.000 5.632 -7.537) 9.409 7.140 ( 0.000 -3.776 4.895) 6.182 7.161 ( 0.000 0.816 6.342) 6.394 7.385 ( 0.000 -12.636 -6.253) 14.099 7.672 ( 0.000 2.548 5.926) 6.450 7.782 ( 0.000 -7.274 -13.930) 15.715 7.818 ( 0.000 -3.718 4.004) 5.464 8.157 ( 0.000 -7.382 9.125) 11.737 8.160 ( 0.000 8.662 -3.272) 9.260 8.355 ( 0.000 10.352 -1.843) 10.515 8.497 ( 0.000 0.628 1.873) 1.975 8.626 ( 0.000 15.821 -8.784) 18.096 8.692 ( 0.000 2.050 -2.133) 2.959 8.831 ( 0.000 3.662 -3.556) 5.105 8.838 ( 0.000 8.978 -2.210) 9.246 9.010 ( 0.000 13.208 2.523) 13.447 9.248 ( 0.000 2.020 -10.938) 11.123 9.437 ( 0.000 -2.417 4.652) 5.243 9.510 ( 0.000 9.274 2.353) 9.568 9.688 ( 0.000 4.960 9.694) 10.889 9.939 ( 0.000 0.378 -1.435) 1.484 10.017 ( 0.000 -1.834 -6.997) 7.234 10.189 ( 0.000 10.546 -13.208) 16.902 10.279 ( 0.000 6.931 -1.384) 7.068 10.584 ( 0.000 1.956 -4.143) 4.581 10.709 ( 0.000 -2.898 -0.899) 3.034 11.142 ( 0.000 -3.869 -0.508) 3.902 11.269 ( 0.000 10.829 -0.786) 10.858 11.412 ( 0.000 -7.747 -1.655) 7.921 11.464 ( 0.000 10.576 0.362) 10.583 11.800 ( 0.000 -21.930 15.764) 27.008 12.369 ( 0.000 -17.370 -20.707) 27.028 12.576 ( 0.000 -20.012 -15.878) 25.546 12.700 ( 0.000 -4.468 -12.295) 13.082 12.735 ( 0.000 -7.576 -13.256) 15.268 12.799 ( 0.000 -0.381 -8.364) 8.372 12.827 ( 0.000 -25.124 0.623) 25.132 13.104 ( 0.000 -13.395 1.373) 13.466 13.133 ( 0.000 -8.679 -0.925) 8.728 13.143 ( 0.000 5.020 -13.871) 14.751 13.231 ( 0.000 -4.495 -12.941) 13.699 13.603 ( 0.000 -0.579 -0.960) 1.121 13.879 ( 0.000 -1.862 -13.600) 13.727 14.040 ( 0.000 18.727 -2.568) 18.902 14.260 ( 0.000 -7.238 3.058) 7.858 14.459 ( 0.000 0.213 -4.518) 4.523 14.570 ( 0.000 9.278 -9.284) 13.125 14.918 ( 0.000 6.752 8.020) 10.484 15.038 ( 0.000 -6.307 3.040) 7.001 15.104 ( 0.000 -16.647 -7.499) 18.258 15.131 ( 0.000 20.815 -6.136) 21.701 15.277 ( 0.000 -3.845 3.058) 4.913 15.629 ( 0.000 -4.820 5.240) 7.120 15.689 ( 0.000 8.389 12.941) 15.422 16.001 ( 0.000 20.478 6.703) 21.547 16.444 ( 0.000 3.451 5.671) 6.638 16.516 ( 0.000 -2.889 4.456) 5.311 16.690 ( 0.000 7.631 6.384) 9.950 16.791 ( 0.000 -0.716 2.298) 2.406 17.222 ( 0.000 1.226 4.882) 5.033 17.293 ( 0.000 1.080 -5.730) 5.831 17.560 ( 0.000 -11.545 3.323) 12.014 17.572 ( 0.000 0.656 11.326) 11.345 17.649 ( 0.000 0.752 14.877) 14.896 17.939 ( 0.000 -3.060 7.094) 7.726 18.068 ( 0.000 7.597 7.510) 10.683 18.170 ( 0.000 -0.328 -1.755) 1.786 18.452 ( 0.000 -1.695 5.785) 6.029 18.684 ( 0.000 7.650 -0.192) 7.653 18.853 ( 0.000 4.731 1.550) 4.978 18.960 ( 0.000 -3.754 12.119) 12.687 19.254 ( 0.000 -1.367 -26.400) 26.435 19.668 ( 0.000 -5.160 -1.325) 5.327 19.900 ( 0.000 5.211 -4.046) 6.597 20.245 ( 0.000 0.809 -4.248) 4.324 20.287 ( 0.000 6.782 -4.090) 7.920 20.800 ( 0.000 -10.783 -1.837) 10.939 20.846 ( 0.000 3.213 -5.417) 6.298 21.192 ( 0.000 1.894 6.568) 6.836 25.367 ( 0.000 -1.945 3.455) 3.965 25.378 ( 0.000 -0.927 2.127) 2.321 25.665 ( 0.000 6.091 3.697) 7.125 25.724 ( 0.000 9.146 0.140) 9.147 25.870 ( 0.000 5.818 -9.559) 11.190 26.137 ( 0.000 1.692 -15.557) 15.649 26.627 ( 0.000 -2.483 -7.531) 7.930 26.800 ( 0.000 -4.348 -11.598) 12.386 27.181 ( 0.000 1.104 0.222) 1.127 27.700 ( 0.000 -4.648 1.696) 4.947 28.273 ( 0.000 -2.645 10.047) 10.390 28.317 ( 0.000 -16.915 -0.320) 16.918 29.217 ( 0.000 19.106 -5.050) 19.762 29.379 ( 0.000 5.532 -9.661) 11.132 29.851 ( 0.000 -0.664 8.291) 8.318 30.492 ( 0.000 -15.251 0.378) 15.256 ======================= Grid point 106 (38/96) ======================= q-point: ( 0.17 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.384 ( 11.566 17.182 44.668) 49.236 2.720 ( 19.354 23.164 44.579) 53.837 3.987 ( 27.759 24.551 47.802) 60.484 4.775 ( -7.212 1.280 19.363) 20.702 4.864 ( -16.277 -5.341 8.379) 19.070 4.987 ( 0.499 -14.892 10.129) 18.017 5.164 ( -5.172 0.699 18.955) 19.660 5.279 ( 0.940 -8.596 13.328) 15.888 5.619 ( -0.245 6.592 17.459) 18.664 5.700 ( -4.014 2.089 6.127) 7.616 6.085 ( 17.027 1.548 -2.230) 17.242 6.228 ( -3.468 -17.827 -8.412) 20.014 6.631 ( -18.213 -6.686 -3.311) 19.682 6.897 ( -2.975 10.177 -10.637) 15.019 6.935 ( -11.380 -5.692 1.489) 12.811 7.258 ( 0.437 5.245 5.719) 7.773 7.368 ( -2.701 -7.603 -1.978) 8.307 7.599 ( -3.445 -2.047 2.018) 4.487 7.780 ( -1.876 -7.485 8.275) 11.314 7.989 ( -0.292 -7.074 -2.181) 7.408 8.014 ( 4.288 2.274 -7.031) 8.543 8.170 ( -5.766 -3.569 5.962) 9.030 8.403 ( 4.054 8.540 -0.006) 9.453 8.488 ( -4.596 16.091 -4.499) 17.329 8.591 ( 7.917 4.821 -0.954) 9.319 8.825 ( 6.118 10.279 -3.390) 12.433 8.863 ( 1.417 5.089 0.636) 5.321 9.058 ( 15.498 2.092 -2.569) 15.848 9.130 ( 13.240 10.644 -4.261) 17.514 9.224 ( -0.968 8.403 -9.320) 12.586 9.477 ( -3.591 2.047 1.094) 4.276 9.539 ( 6.724 2.597 -0.467) 7.224 9.662 ( -4.648 2.287 0.667) 5.223 9.735 ( 3.009 7.042 5.515) 9.437 10.080 ( -1.583 0.377 -14.119) 14.212 10.261 ( 5.693 1.687 3.619) 6.954 10.419 ( 9.854 4.604 -2.757) 11.220 10.565 ( -3.906 -1.962 -0.660) 4.420 10.764 ( 7.598 3.884 -7.520) 11.374 10.932 ( -13.894 -2.111 -2.506) 14.276 11.292 ( 2.487 5.527 -1.787) 6.319 11.368 ( -7.565 6.587 2.973) 10.462 11.608 ( 8.271 -12.887 -5.708) 16.342 11.906 ( 8.592 -17.763 16.242) 25.557 12.189 ( -16.518 -13.755 -20.515) 29.714 12.428 ( -14.054 -13.326 -11.161) 22.353 12.477 ( -10.968 -14.337 -8.127) 19.797 12.620 ( -13.401 -2.060 -6.886) 15.207 12.707 ( -5.608 -9.679 -11.940) 16.362 12.913 ( 2.639 -17.474 -14.507) 22.864 13.048 ( 3.349 -3.225 -4.637) 6.566 13.146 ( 6.026 -1.418 -4.383) 7.585 13.187 ( -1.580 -3.507 -5.791) 6.952 13.416 ( 11.170 1.618 0.221) 11.288 13.615 ( -3.776 -9.120 -3.824) 10.586 13.847 ( 4.745 0.255 -13.540) 14.349 14.137 ( 3.412 9.026 -1.734) 9.804 14.336 ( -4.970 2.314 -1.539) 5.694 14.428 ( 0.873 10.397 -6.372) 12.225 14.645 ( 1.002 12.578 -4.152) 13.284 14.745 ( -2.499 7.685 -3.643) 8.865 14.911 ( -0.298 -8.199 5.210) 9.719 15.151 ( -4.039 -20.329 2.635) 20.894 15.255 ( 1.099 12.412 8.447) 15.054 15.337 ( 8.147 -6.479 0.777) 10.438 15.587 ( -5.503 -2.241 6.021) 8.459 15.754 ( 5.539 6.413 7.751) 11.484 15.994 ( 5.002 15.865 3.423) 16.984 16.118 ( -12.517 7.689 5.562) 15.707 16.497 ( -1.019 1.536 -0.214) 1.856 16.672 ( -3.211 -2.072 -4.170) 5.656 17.089 ( 8.002 -5.918 9.134) 13.509 17.199 ( -8.642 1.815 -4.887) 10.093 17.363 ( 7.804 6.807 1.746) 10.502 17.496 ( 2.924 -4.169 12.197) 13.218 17.586 ( 4.026 3.264 10.351) 11.576 17.710 ( 1.964 -13.789 17.201) 22.132 17.954 ( 2.792 9.580 -1.937) 10.165 18.126 ( 3.059 3.203 2.446) 5.060 18.197 ( -2.067 -0.515 2.020) 2.935 18.290 ( -7.824 -0.633 5.986) 9.872 18.526 ( -8.139 8.153 -0.808) 11.549 18.863 ( -4.586 1.103 -1.295) 4.891 18.978 ( -0.689 3.553 1.256) 3.831 19.424 ( 16.229 -4.394 -6.783) 18.130 19.755 ( 7.033 -8.206 -1.993) 10.990 19.937 ( 3.904 4.110 -4.075) 6.981 20.232 ( -1.227 1.139 -4.381) 4.690 20.307 ( 2.165 6.683 -4.549) 8.369 20.695 ( -7.736 -3.930 -3.235) 9.260 20.831 ( -3.414 -5.327 -2.018) 6.641 21.116 ( -7.746 0.898 6.185) 9.953 25.383 ( 4.476 0.265 1.647) 4.777 25.479 ( 6.267 -3.014 0.854) 7.007 25.654 ( -0.856 5.225 2.769) 5.975 25.731 ( 0.162 7.520 1.420) 7.654 25.909 ( 4.329 6.078 -10.859) 13.176 26.146 ( 0.991 2.015 -15.572) 15.733 26.630 ( 0.039 -1.996 -8.141) 8.382 26.776 ( -2.608 -3.626 -11.449) 12.290 27.213 ( 3.400 1.224 0.882) 3.720 27.723 ( -0.049 -0.832 0.554) 1.001 28.094 ( -7.026 -9.610 8.288) 14.506 28.447 ( 4.730 -12.765 0.145) 13.614 29.170 ( -3.467 15.923 -5.508) 17.202 29.372 ( -1.694 9.051 -7.887) 12.124 29.889 ( 3.834 -2.230 7.693) 8.880 30.427 ( -6.238 -12.951 3.021) 14.689 ======================= Grid point 107 (39/96) ======================= q-point: ( 0.33 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 33.287 17.558 27.951) 46.878 3.160 ( 26.692 23.189 33.732) 48.868 4.150 ( -19.845 9.823 17.512) 28.231 4.369 ( -32.476 15.864 13.098) 38.444 4.865 ( 20.248 4.780 23.939) 31.716 5.025 ( 2.571 -12.314 13.105) 18.166 5.108 ( -0.515 -3.909 18.215) 18.637 5.402 ( -2.848 0.035 13.378) 13.678 5.475 ( 4.453 -7.171 5.538) 10.095 5.870 ( 20.732 7.384 35.078) 41.410 6.132 ( -10.483 -19.220 -4.035) 22.261 6.291 ( -7.580 -11.893 -7.501) 15.974 6.399 ( 6.087 -12.941 -2.879) 14.588 6.716 ( -3.422 -7.061 -3.996) 8.805 6.934 ( -1.346 5.991 3.301) 6.971 7.164 ( -10.016 9.852 -0.963) 14.082 7.219 ( -9.901 8.153 5.200) 13.840 7.551 ( -3.503 -8.919 3.160) 10.090 7.670 ( -7.585 4.392 -3.978) 9.625 7.918 ( -6.361 -8.920 10.737) 15.340 8.030 ( -0.160 -5.777 2.738) 6.395 8.161 ( 3.771 6.353 -2.870) 7.926 8.359 ( -4.100 1.008 1.314) 4.421 8.556 ( 8.720 12.145 -0.339) 14.955 8.691 ( -14.013 9.328 2.634) 17.038 8.811 ( 0.733 8.427 -0.575) 8.478 8.896 ( 8.971 13.136 -6.284) 17.104 9.140 ( -0.641 12.275 -2.345) 12.513 9.286 ( 7.081 7.038 -6.724) 12.037 9.416 ( 11.751 4.691 -6.231) 14.103 9.624 ( 8.798 -3.767 -3.635) 10.237 9.651 ( 9.108 7.386 -3.819) 12.332 9.788 ( 11.319 0.092 -4.337) 12.122 9.865 ( 11.945 4.640 -2.184) 12.999 10.072 ( 2.523 1.589 -12.242) 12.600 10.278 ( -2.327 -6.959 5.328) 9.068 10.395 ( -13.149 0.629 -6.531) 14.695 10.633 ( 8.351 2.169 0.601) 8.649 10.746 ( -2.593 -0.211 1.530) 3.018 10.916 ( 6.265 11.991 -4.857) 14.374 11.262 ( -9.043 -4.520 -2.236) 10.355 11.323 ( 4.777 -3.418 -2.758) 6.489 11.509 ( -14.003 -16.921 -5.180) 22.566 11.792 ( -16.866 -19.944 -1.050) 26.141 12.151 ( 0.772 -18.529 -10.314) 21.220 12.201 ( 0.312 -12.818 -6.555) 14.400 12.358 ( -7.704 5.691 -3.773) 10.294 12.434 ( 1.148 -0.964 -4.621) 4.859 12.622 ( -2.076 -14.044 -11.059) 17.995 12.893 ( -6.936 -3.954 -18.812) 20.436 13.124 ( 0.213 -3.610 -3.629) 5.124 13.201 ( 7.709 -11.677 -7.839) 16.038 13.330 ( 12.099 0.711 0.383) 12.126 13.547 ( 4.535 7.420 7.378) 11.404 13.576 ( -0.688 -4.295 -2.641) 5.089 13.870 ( -9.028 -3.355 -15.064) 17.880 13.969 ( -6.803 10.632 -7.070) 14.468 14.221 ( -13.197 0.476 7.194) 15.038 14.479 ( 1.311 13.527 -7.201) 15.381 14.557 ( 0.291 17.214 -3.991) 17.673 14.758 ( -3.281 -0.827 1.659) 3.769 14.994 ( -0.611 7.654 4.629) 8.966 15.106 ( 8.659 -7.611 8.432) 14.283 15.280 ( 2.253 -9.317 2.112) 9.816 15.414 ( 1.113 -4.178 4.603) 6.315 15.540 ( -0.336 -2.255 2.955) 3.732 15.928 ( 8.517 -2.424 -5.344) 10.342 15.966 ( 2.006 2.341 0.251) 3.093 16.204 ( 7.218 -2.006 7.893) 10.882 16.471 ( 2.413 1.574 5.163) 5.912 16.713 ( 4.827 7.783 -10.101) 13.634 16.876 ( -14.496 -8.339 -1.913) 16.833 17.051 ( -11.122 11.969 2.160) 16.481 17.415 ( -9.119 -2.872 1.681) 9.707 17.562 ( 7.870 -1.579 12.729) 15.049 17.672 ( 0.735 -1.208 14.638) 14.706 17.876 ( 13.409 5.502 11.401) 18.440 18.009 ( -5.836 4.221 11.013) 13.160 18.039 ( 1.480 8.564 -1.645) 8.845 18.152 ( 2.545 -3.321 -0.952) 4.291 18.282 ( -0.865 -3.155 -0.072) 3.272 18.490 ( 1.235 1.941 3.168) 3.915 18.738 ( -5.700 4.109 -2.053) 7.320 18.910 ( -5.858 8.949 -3.346) 11.207 19.719 ( 12.267 -4.536 2.646) 13.344 19.860 ( 3.078 -8.291 -2.404) 9.165 20.042 ( 6.656 0.714 -3.221) 7.429 20.206 ( -1.700 1.690 -3.766) 4.464 20.377 ( 5.747 4.707 -5.617) 9.313 20.591 ( -1.485 -4.607 -1.365) 5.029 20.721 ( -7.635 -8.499 -0.252) 11.427 20.918 ( -12.521 -0.642 4.325) 13.262 25.507 ( 7.307 0.517 -0.505) 7.343 25.573 ( 3.573 -0.911 0.165) 3.691 25.637 ( -0.981 3.577 2.368) 4.401 25.713 ( -2.194 3.941 0.630) 4.554 26.027 ( 7.426 5.275 -11.277) 14.496 26.169 ( 0.907 2.574 -14.697) 14.948 26.622 ( -0.743 -0.975 -10.244) 10.317 26.701 ( -4.927 -1.801 -11.703) 12.825 27.305 ( 6.085 1.875 2.629) 6.889 27.611 ( -9.703 4.413 4.058) 11.406 28.133 ( 9.025 -13.753 1.640) 16.532 28.463 ( -3.358 -14.430 -2.689) 15.057 29.136 ( 0.674 14.336 -4.860) 15.153 29.303 ( -5.240 11.746 -5.567) 14.015 29.988 ( 6.406 -4.567 7.274) 10.715 30.283 ( -8.407 -9.216 6.419) 14.029 ======================= Grid point 108 (40/96) ======================= q-point: (-0.50 0.17 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.509 ( -28.893 12.468 18.153) 36.329 3.509 ( 28.893 12.468 18.153) 36.329 3.764 ( -22.545 22.000 21.355) 38.056 3.764 ( 22.545 22.000 21.355) 38.056 5.053 ( -1.447 -7.624 15.018) 16.904 5.053 ( 1.447 -7.624 15.018) 16.904 5.223 ( -10.665 3.927 12.524) 16.912 5.223 ( 10.665 3.927 12.524) 16.912 5.772 ( -19.704 -13.784 7.554) 25.205 5.772 ( 19.704 -13.784 7.554) 25.205 6.304 ( -11.843 -14.749 -0.080) 18.915 6.304 ( 11.843 -14.749 -0.080) 18.915 6.507 ( -29.755 0.696 20.926) 36.383 6.507 ( 29.755 0.696 20.926) 36.383 6.905 ( -12.101 -2.817 0.995) 12.465 6.905 ( 12.101 -2.817 0.995) 12.465 7.326 ( -13.959 14.923 -3.603) 20.749 7.326 ( 13.959 14.923 -3.603) 20.749 7.729 ( -9.107 -5.832 -0.241) 10.817 7.729 ( 9.108 -5.832 -0.241) 10.817 8.127 ( -5.926 -0.145 5.082) 7.808 8.127 ( 5.926 -0.145 5.082) 7.808 8.428 ( -10.618 3.141 2.948) 11.458 8.428 ( 10.618 3.141 2.948) 11.458 8.719 ( -7.669 10.742 -2.541) 13.441 8.719 ( 7.669 10.742 -2.541) 13.441 9.083 ( -6.429 18.475 -1.472) 19.617 9.083 ( 6.429 18.475 -1.472) 19.617 9.445 ( -7.057 0.211 -7.811) 10.529 9.445 ( 7.057 0.211 -7.811) 10.529 9.717 ( -2.364 3.462 -8.323) 9.319 9.717 ( 2.364 3.462 -8.323) 9.319 10.001 ( -6.483 -0.801 -10.389) 12.272 10.001 ( 6.483 -0.801 -10.389) 12.272 10.138 ( -6.756 -0.301 2.621) 7.253 10.138 ( 6.756 -0.301 2.621) 7.253 10.448 ( -18.794 5.137 -3.606) 19.814 10.448 ( 18.794 5.137 -3.606) 19.814 10.952 ( -16.465 -6.330 -4.691) 18.253 10.952 ( 16.465 -6.330 -4.691) 18.253 11.167 ( -19.615 0.273 0.799) 19.633 11.167 ( 19.615 0.273 0.799) 19.633 11.528 ( -11.539 -19.370 1.417) 22.591 11.528 ( 11.539 -19.370 1.417) 22.591 12.159 ( -2.106 -6.283 -20.118) 21.181 12.159 ( 2.106 -6.283 -20.118) 21.181 12.412 ( -6.276 -10.770 5.779) 13.740 12.412 ( 6.276 -10.770 5.779) 13.740 12.692 ( -9.363 -1.761 -11.467) 14.908 12.692 ( 9.363 -1.761 -11.467) 14.908 13.220 ( -6.058 -7.176 -12.144) 15.352 13.220 ( 6.058 -7.176 -12.144) 15.352 13.489 ( -3.968 2.831 -1.486) 5.095 13.489 ( 3.968 2.831 -1.486) 5.095 13.746 ( -9.297 3.656 10.290) 14.342 13.746 ( 9.297 3.656 10.290) 14.342 13.924 ( -8.735 2.038 -6.119) 10.858 13.924 ( 8.735 2.038 -6.119) 10.858 14.509 ( -3.191 17.612 -7.214) 19.297 14.509 ( 3.191 17.612 -7.214) 19.297 14.869 ( -10.205 -2.754 -0.100) 10.571 14.869 ( 10.205 -2.754 -0.100) 10.571 15.267 ( -6.119 -9.855 8.138) 14.170 15.267 ( 6.119 -9.855 8.138) 14.170 15.486 ( -6.230 5.689 2.760) 8.877 15.486 ( 6.230 5.689 2.760) 8.877 15.997 ( -4.527 -8.414 -2.561) 9.892 15.997 ( 4.527 -8.414 -2.561) 9.892 16.416 ( -17.430 -7.406 -1.286) 18.982 16.416 ( 17.430 -7.406 -1.286) 18.982 16.719 ( -13.690 6.910 4.755) 16.056 16.719 ( 13.690 6.910 4.755) 16.056 17.111 ( -17.455 7.798 -4.654) 19.676 17.111 ( 17.455 7.798 -4.654) 19.676 17.707 ( -4.673 -1.642 13.569) 14.445 17.707 ( 4.673 -1.642 13.569) 14.445 17.898 ( -3.249 7.692 7.075) 10.945 17.898 ( 3.249 7.692 7.075) 10.945 18.196 ( -6.237 0.384 5.171) 8.112 18.196 ( 6.237 0.384 5.171) 8.112 18.351 ( -13.166 -5.454 2.677) 14.500 18.351 ( 13.166 -5.454 2.677) 14.500 18.779 ( -7.160 10.720 -4.257) 13.576 18.779 ( 7.160 10.720 -4.257) 13.576 19.860 ( -3.248 -4.701 -0.330) 5.724 19.860 ( 3.248 -4.701 -0.330) 5.724 20.151 ( -4.342 1.004 -3.144) 5.454 20.151 ( 4.342 1.004 -3.144) 5.454 20.535 ( -9.570 -4.859 -1.603) 10.852 20.535 ( 9.570 -4.859 -1.603) 10.852 20.691 ( -9.365 -2.950 1.145) 9.885 20.691 ( 9.365 -2.950 1.145) 9.885 25.605 ( -2.028 1.090 0.049) 2.303 25.605 ( 2.028 1.090 0.049) 2.303 25.648 ( -4.255 2.061 0.643) 4.771 25.648 ( 4.255 2.061 0.643) 4.771 26.147 ( -4.045 3.520 -12.219) 13.344 26.147 ( 4.045 3.520 -12.219) 13.344 26.626 ( -2.065 -0.458 -12.112) 12.295 26.626 ( 2.065 -0.458 -12.112) 12.295 27.438 ( -8.077 3.360 4.351) 9.770 27.438 ( 8.077 3.360 4.351) 9.770 28.329 ( -9.969 -14.498 -2.647) 17.793 28.329 ( 9.969 -14.498 -2.647) 17.793 29.197 ( -5.238 13.231 -4.448) 14.909 29.197 ( 5.238 13.231 -4.448) 14.909 30.125 ( -8.025 -6.582 7.429) 12.764 30.125 ( 8.025 -6.582 7.429) 12.764 ======================= Grid point 112 (41/96) ======================= q-point: ( 0.00 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.825 ( 0.000 32.690 34.247) 47.345 3.012 ( 0.000 32.591 38.996) 50.822 4.338 ( 0.000 -36.419 8.836) 37.476 4.412 ( 0.000 -6.711 29.145) 29.907 4.479 ( 0.000 10.975 22.604) 25.128 4.917 ( 0.000 4.081 19.312) 19.738 5.090 ( 0.000 -4.546 21.492) 21.968 5.499 ( 0.000 -11.926 -1.984) 12.090 5.653 ( 0.000 4.481 16.909) 17.493 5.754 ( 0.000 -2.782 4.398) 5.204 5.936 ( 0.000 17.958 11.895) 21.540 6.402 ( 0.000 7.462 -4.138) 8.533 6.772 ( 0.000 -0.604 -2.893) 2.955 6.921 ( 0.000 -12.321 0.393) 12.327 6.967 ( 0.000 -3.358 5.710) 6.625 7.096 ( 0.000 -6.613 1.530) 6.788 7.379 ( 0.000 5.994 0.674) 6.032 7.632 ( 0.000 -7.801 -5.484) 9.536 7.662 ( 0.000 0.633 -4.675) 4.718 7.776 ( 0.000 -0.638 -5.109) 5.148 8.156 ( 0.000 5.466 6.365) 8.390 8.271 ( 0.000 1.593 5.624) 5.845 8.353 ( 0.000 -4.058 2.362) 4.695 8.491 ( 0.000 -5.424 -1.334) 5.585 8.643 ( 0.000 1.818 -1.959) 2.673 8.844 ( 0.000 3.589 -0.367) 3.607 8.953 ( 0.000 6.213 -0.732) 6.256 9.109 ( 0.000 -1.325 9.426) 9.518 9.302 ( 0.000 4.274 -9.497) 10.415 9.309 ( 0.000 23.210 -8.482) 24.712 9.490 ( 0.000 8.402 -3.278) 9.019 9.743 ( 0.000 6.529 1.403) 6.678 9.844 ( 0.000 17.583 -3.245) 17.879 9.910 ( 0.000 -3.403 1.674) 3.792 10.052 ( 0.000 6.381 -7.388) 9.763 10.370 ( 0.000 2.383 -5.128) 5.655 10.462 ( 0.000 13.258 -9.355) 16.226 10.683 ( 0.000 4.331 4.792) 6.459 10.698 ( 0.000 4.828 -4.033) 6.291 11.027 ( 0.000 -7.333 -4.494) 8.601 11.166 ( 0.000 -17.490 -8.574) 19.478 11.257 ( 0.000 -15.654 -5.291) 16.524 11.604 ( 0.000 10.144 17.724) 20.422 11.727 ( 0.000 11.706 -5.269) 12.837 11.970 ( 0.000 -15.657 -16.794) 22.961 12.031 ( 0.000 -29.628 -6.700) 30.376 12.307 ( 0.000 -21.839 4.441) 22.286 12.473 ( 0.000 -16.457 -14.198) 21.735 12.682 ( 0.000 -0.074 -4.821) 4.822 12.799 ( 0.000 -1.037 -2.908) 3.087 12.974 ( 0.000 -3.160 -1.542) 3.517 13.051 ( 0.000 1.495 -8.986) 9.110 13.059 ( 0.000 -5.974 -20.076) 20.946 13.279 ( 0.000 -3.645 -5.458) 6.563 13.623 ( 0.000 10.385 3.503) 10.960 13.816 ( 0.000 -0.221 -16.365) 16.367 14.126 ( 0.000 -8.575 -0.922) 8.624 14.335 ( 0.000 1.613 1.426) 2.153 14.492 ( 0.000 -4.964 0.188) 4.967 14.565 ( 0.000 -16.109 3.787) 16.548 14.728 ( 0.000 -0.808 -11.481) 11.509 14.825 ( 0.000 -0.403 -28.632) 28.635 15.137 ( 0.000 6.525 9.468) 11.499 15.141 ( 0.000 1.614 6.167) 6.375 15.602 ( 0.000 13.186 3.890) 13.748 15.708 ( 0.000 6.053 2.920) 6.721 15.961 ( 0.000 18.921 6.804) 20.107 16.399 ( 0.000 15.791 4.591) 16.445 16.482 ( 0.000 -1.923 7.833) 8.065 16.490 ( 0.000 2.965 6.272) 6.938 16.803 ( 0.000 4.990 -2.172) 5.442 16.880 ( 0.000 7.206 3.205) 7.887 17.102 ( 0.000 -12.550 10.017) 16.057 17.241 ( 0.000 -8.483 5.889) 10.327 17.313 ( 0.000 -7.650 12.057) 14.279 17.492 ( 0.000 -3.897 8.331) 9.198 17.739 ( 0.000 3.278 10.428) 10.931 17.886 ( 0.000 -1.958 -2.996) 3.579 18.195 ( 0.000 4.565 4.919) 6.710 18.208 ( 0.000 2.694 1.066) 2.897 18.452 ( 0.000 1.698 7.194) 7.392 18.753 ( 0.000 -13.540 11.070) 17.489 18.910 ( 0.000 13.577 -0.149) 13.578 18.974 ( 0.000 5.949 -1.626) 6.167 19.233 ( 0.000 0.421 -20.787) 20.791 19.575 ( 0.000 -6.836 -3.741) 7.793 20.046 ( 0.000 9.590 -6.172) 11.405 20.263 ( 0.000 0.927 -3.207) 3.338 20.330 ( 0.000 -1.271 -2.217) 2.556 20.552 ( 0.000 -13.649 -4.809) 14.471 20.958 ( 0.000 7.207 -0.650) 7.236 21.187 ( 0.000 -2.561 6.370) 6.865 25.348 ( 0.000 -0.245 2.276) 2.289 25.361 ( 0.000 -0.720 1.927) 2.058 25.800 ( 0.000 6.488 4.575) 7.939 25.865 ( 0.000 4.098 1.473) 4.354 26.031 ( 0.000 9.985 -11.513) 15.240 26.194 ( 0.000 3.918 -17.617) 18.047 26.542 ( 0.000 -5.598 -10.729) 12.102 26.666 ( 0.000 -8.812 -17.022) 19.168 27.233 ( 0.000 4.330 1.838) 4.704 27.536 ( 0.000 -10.286 3.714) 10.936 28.148 ( 0.000 -1.839 -1.130) 2.159 28.214 ( 0.000 -2.984 5.264) 6.051 29.503 ( 0.000 9.885 -3.719) 10.562 29.516 ( 0.000 7.487 -5.137) 9.079 29.841 ( 0.000 0.147 7.270) 7.272 30.166 ( 0.000 -15.881 5.963) 16.963 ======================= Grid point 113 (42/96) ======================= q-point: ( 0.17 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.918 ( 13.124 34.687 28.773) 46.939 3.253 ( 20.624 29.874 35.805) 50.989 4.400 ( 5.519 -28.318 11.040) 30.891 4.514 ( 8.480 -28.993 17.261) 34.792 4.578 ( 9.355 23.965 24.462) 35.499 4.881 ( -2.609 6.256 18.898) 20.077 5.084 ( -0.388 -6.003 21.433) 22.262 5.424 ( -14.306 12.666 6.210) 20.091 5.569 ( -1.427 -13.337 2.617) 13.666 5.773 ( 6.510 5.186 20.560) 22.181 6.018 ( 2.890 1.677 8.275) 8.924 6.160 ( -20.742 4.075 -4.975) 21.716 6.557 ( -15.952 -1.451 -1.066) 16.053 6.742 ( -16.400 -11.577 -1.121) 20.106 7.003 ( 2.524 -0.573 0.404) 2.619 7.180 ( 7.056 -10.937 6.243) 14.435 7.357 ( -3.888 2.934 1.448) 5.082 7.560 ( -9.275 -0.059 2.079) 9.505 7.737 ( 11.124 4.812 -3.498) 12.615 7.911 ( 4.703 -1.200 -4.276) 6.468 8.082 ( -1.343 5.443 3.396) 6.554 8.158 ( -10.292 0.431 2.895) 10.700 8.436 ( 7.086 -0.188 1.066) 7.169 8.577 ( 10.572 -6.510 0.052) 12.416 8.809 ( 10.794 -1.085 -0.998) 10.895 8.865 ( 2.211 14.088 -0.256) 14.263 9.056 ( 9.687 -4.685 1.603) 10.879 9.222 ( 7.166 7.455 -2.041) 10.540 9.280 ( -0.499 19.966 -9.684) 22.196 9.424 ( 8.850 5.728 -3.841) 11.219 9.528 ( 5.524 3.259 -4.125) 7.625 9.634 ( -11.234 11.362 -2.561) 16.182 9.800 ( 1.469 5.559 2.810) 6.400 9.911 ( 0.885 6.223 0.898) 6.350 10.008 ( -3.442 0.565 -7.968) 8.698 10.469 ( 4.251 8.123 0.204) 9.170 10.493 ( 2.057 8.925 -4.216) 10.083 10.584 ( -3.105 6.069 1.849) 7.063 10.822 ( 8.083 0.388 -4.429) 9.225 10.853 ( -12.046 -5.510 -8.944) 15.983 11.193 ( -1.391 -19.899 -4.206) 20.386 11.255 ( -0.507 -15.102 -4.425) 15.745 11.572 ( -5.167 5.548 4.278) 8.705 11.668 ( -10.997 -2.265 1.084) 11.280 11.884 ( -9.393 -11.140 -10.753) 18.110 12.072 ( -6.879 -13.783 -8.946) 17.814 12.129 ( 6.912 -18.814 -6.096) 20.950 12.491 ( -1.213 -12.852 -10.128) 16.408 12.583 ( -5.412 -2.230 -3.787) 6.972 12.694 ( -8.872 -4.098 -6.631) 11.810 13.037 ( 1.033 0.468 -11.696) 11.750 13.087 ( 7.526 -3.112 -15.387) 17.409 13.144 ( 4.785 -1.019 -2.063) 5.310 13.352 ( 5.551 -8.814 -3.450) 10.972 13.656 ( 3.898 13.782 -1.654) 14.418 13.868 ( 6.825 4.188 -5.635) 9.791 14.249 ( -11.162 2.032 -10.649) 15.561 14.292 ( 10.448 -7.763 3.206) 13.405 14.519 ( 4.013 -17.997 4.001) 18.868 14.592 ( -3.770 -16.630 2.615) 17.251 14.727 ( 4.780 3.079 -8.242) 10.013 14.818 ( 3.825 4.881 -21.326) 22.209 15.072 ( -5.477 13.615 3.132) 15.006 15.228 ( 5.677 -1.855 3.311) 6.829 15.555 ( -3.420 11.804 4.735) 13.170 15.663 ( -5.411 4.531 7.602) 10.373 15.889 ( -9.510 8.966 13.917) 19.092 16.247 ( -7.912 10.257 0.394) 12.960 16.313 ( -10.231 7.500 8.637) 15.347 16.482 ( 1.551 2.057 0.863) 2.717 16.843 ( 0.117 1.153 2.707) 2.944 16.901 ( -1.565 2.703 -2.837) 4.219 17.226 ( -0.481 -1.912 -4.386) 4.808 17.243 ( 6.226 -19.730 13.357) 24.626 17.426 ( 9.115 -4.041 15.498) 18.429 17.481 ( 1.949 0.030 10.028) 10.216 17.750 ( 5.434 8.796 10.079) 14.439 18.011 ( 8.076 -2.540 -1.590) 8.614 18.212 ( 1.142 4.206 -0.584) 4.397 18.252 ( 3.179 2.913 1.846) 4.690 18.300 ( -10.653 2.915 7.066) 13.112 18.731 ( -3.180 -13.957 4.928) 15.139 18.783 ( -8.038 16.443 -4.586) 18.869 19.048 ( 2.767 3.779 -3.488) 5.839 19.387 ( 14.044 0.656 -6.756) 15.599 19.614 ( 4.059 -7.589 -1.590) 8.752 20.054 ( 0.754 7.791 -5.902) 9.804 20.260 ( -0.199 1.679 -2.887) 3.346 20.353 ( 2.424 -1.143 -2.347) 3.562 20.507 ( -4.446 -12.534 -3.900) 13.859 20.852 ( -10.164 5.256 1.424) 11.531 21.086 ( -9.993 -3.867 6.912) 12.751 25.394 ( 5.331 0.761 1.160) 5.509 25.438 ( 6.281 -1.517 0.609) 6.490 25.771 ( -2.626 5.584 2.544) 6.674 25.839 ( -2.684 2.942 1.772) 4.359 26.077 ( 4.439 10.149 -11.493) 15.962 26.211 ( 1.714 4.389 -17.689) 18.306 26.556 ( 0.996 -5.165 -10.603) 11.836 26.660 ( -0.919 -7.977 -16.129) 18.017 27.271 ( 4.072 4.880 1.928) 6.642 27.605 ( 6.817 -10.339 1.939) 12.535 28.012 ( -10.160 2.312 2.404) 10.693 28.253 ( 0.241 -8.000 0.593) 8.026 29.422 ( -3.401 10.813 -2.892) 11.698 29.581 ( 1.802 9.555 -3.752) 10.422 29.830 ( -0.442 -2.991 7.382) 7.977 30.140 ( -2.802 -14.494 6.277) 16.042 ======================= Grid point 114 (43/96) ======================= q-point: ( 0.33 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.326 ( 28.263 31.140 19.520) 46.363 3.690 ( 24.122 28.194 27.820) 46.376 4.393 ( -11.599 9.230 16.599) 22.254 4.645 ( -5.020 -8.689 16.006) 18.891 4.673 ( 3.401 -10.539 7.290) 13.258 4.897 ( 3.445 4.927 13.020) 14.341 5.079 ( 1.160 -8.231 20.492) 22.114 5.212 ( 3.475 4.933 17.328) 18.349 5.571 ( -5.011 0.326 3.060) 5.880 5.725 ( -16.577 -12.475 -5.172) 21.381 5.873 ( -4.789 -17.324 6.015) 18.954 6.101 ( 8.391 1.860 20.611) 22.332 6.281 ( -8.978 -2.006 1.624) 9.342 6.576 ( 3.237 -5.335 0.795) 6.291 6.966 ( -8.896 -0.411 9.322) 12.892 7.140 ( -16.126 -7.663 8.617) 19.825 7.350 ( 9.059 -2.963 4.262) 10.441 7.455 ( 0.372 5.554 -5.818) 8.052 7.783 ( -9.881 2.065 2.716) 10.453 7.896 ( -14.366 -0.200 7.578) 16.243 8.029 ( 16.947 13.937 2.162) 22.048 8.280 ( 14.139 5.705 -4.481) 15.892 8.526 ( -0.987 11.546 -2.371) 11.829 8.782 ( 3.350 -1.682 0.241) 3.756 8.859 ( 2.855 11.896 0.577) 12.247 8.956 ( 1.450 10.418 -1.217) 10.589 9.114 ( -9.585 1.029 -2.127) 9.872 9.181 ( -1.471 5.299 -5.008) 7.438 9.340 ( 9.497 -1.564 -3.758) 10.332 9.574 ( 5.455 4.581 -4.754) 8.564 9.681 ( 12.795 7.430 -10.630) 18.218 9.773 ( 15.560 1.266 0.112) 15.612 9.875 ( 3.918 5.591 0.420) 6.840 9.929 ( 1.758 4.309 -4.731) 6.637 9.998 ( 8.247 -10.393 -4.550) 14.026 10.326 ( -10.975 17.243 12.347) 23.879 10.447 ( -10.760 3.285 -4.096) 11.973 10.642 ( -4.825 -6.514 -4.217) 9.138 10.754 ( 11.118 6.242 -3.960) 13.351 10.922 ( -1.977 -10.985 -6.846) 13.094 11.132 ( -9.907 -21.581 -3.140) 23.953 11.228 ( -2.286 -5.134 -2.393) 6.108 11.258 ( -15.718 -5.532 -7.128) 18.124 11.401 ( -11.646 -7.961 0.299) 14.110 11.808 ( 2.599 -6.470 -7.344) 10.127 12.059 ( -3.583 -0.982 -6.957) 7.887 12.253 ( 4.527 -12.108 -7.613) 15.002 12.457 ( 4.888 0.848 -3.626) 6.145 12.491 ( -4.503 -4.676 -10.486) 12.333 12.718 ( 8.099 -12.034 -18.203) 23.276 13.015 ( -5.237 -3.491 -9.026) 11.004 13.091 ( -1.234 -3.706 -10.427) 11.134 13.330 ( 11.347 -0.003 -0.452) 11.356 13.478 ( 8.565 -4.868 -2.047) 10.062 13.741 ( -0.819 13.548 -2.139) 13.740 13.917 ( -11.286 7.774 -8.967) 16.377 14.022 ( 2.893 1.578 -1.190) 3.504 14.205 ( -17.377 -3.196 -1.902) 17.771 14.623 ( 9.727 -16.759 10.994) 22.278 14.712 ( 10.842 -21.279 0.253) 23.883 14.806 ( 2.548 9.082 -13.385) 16.375 14.942 ( -0.304 14.178 0.446) 14.188 14.985 ( 4.563 3.774 -9.582) 11.264 15.293 ( -3.273 0.414 2.704) 4.266 15.386 ( -11.142 15.080 7.486) 20.190 15.542 ( -4.517 -4.065 6.632) 8.995 15.827 ( 3.613 -6.714 8.884) 11.707 16.119 ( -5.790 2.661 9.160) 11.158 16.226 ( 0.255 8.137 -3.418) 8.829 16.572 ( 8.768 1.522 6.161) 10.824 16.652 ( -14.180 -4.159 1.827) 14.890 16.951 ( 1.340 12.357 1.533) 12.524 17.210 ( -1.187 -2.812 -2.722) 4.090 17.274 ( -5.728 -4.416 5.632) 9.166 17.475 ( 8.463 -4.895 6.470) 11.724 17.629 ( 5.066 -3.047 14.351) 15.521 17.942 ( 9.045 4.195 8.673) 13.215 18.086 ( -0.557 2.154 1.191) 2.524 18.124 ( -1.919 -1.131 9.520) 9.777 18.239 ( -7.572 1.194 0.420) 7.677 18.287 ( 5.715 7.714 -5.963) 11.301 18.638 ( -7.607 15.776 -2.414) 17.680 18.739 ( 6.255 -5.968 -3.710) 9.407 19.038 ( -4.000 2.523 -3.823) 6.082 19.670 ( 13.622 0.525 1.241) 13.689 19.722 ( 6.955 -4.837 0.775) 8.508 20.071 ( 1.263 1.799 -5.189) 5.635 20.250 ( -1.994 2.027 -2.073) 3.519 20.383 ( -1.764 -4.984 -4.768) 7.120 20.458 ( 4.046 -6.642 2.718) 8.238 20.627 ( -12.310 0.650 3.573) 12.835 20.851 ( -13.691 -5.768 6.619) 16.264 25.522 ( 7.253 0.996 -0.244) 7.325 25.561 ( 6.228 -0.652 -0.678) 6.299 25.714 ( -3.285 3.648 0.957) 5.002 25.770 ( -4.397 1.441 0.819) 4.699 26.178 ( 5.638 9.389 -12.463) 16.591 26.250 ( 2.011 5.611 -16.974) 17.990 26.566 ( 0.038 -4.765 -11.597) 12.538 26.623 ( -2.820 -6.243 -14.623) 16.148 27.384 ( 7.738 6.434 2.273) 10.317 27.720 ( -2.154 2.965 -0.232) 3.672 27.861 ( 1.623 -8.917 2.104) 9.304 28.196 ( -6.246 -12.566 -2.372) 14.232 29.402 ( 1.478 12.819 -0.594) 12.918 29.560 ( -3.820 12.893 -0.687) 13.465 29.858 ( 3.631 -8.326 6.467) 11.150 30.062 ( -5.307 -12.171 6.659) 14.854 ======================= Grid point 115 (44/96) ======================= q-point: (-0.50 0.33 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.871 ( -22.688 22.749 15.885) 35.842 3.871 ( 22.688 22.749 15.885) 35.842 4.270 ( -18.916 25.730 18.707) 37.011 4.270 ( 18.916 25.730 18.707) 37.011 4.838 ( -7.844 -13.347 12.750) 20.056 4.838 ( 7.844 -13.347 12.750) 20.056 5.306 ( -16.689 -1.461 7.619) 18.404 5.306 ( 16.689 -1.461 7.619) 18.404 5.430 ( -15.946 -12.834 12.838) 24.162 5.430 ( 15.946 -12.834 12.838) 24.162 5.935 ( -11.471 -20.467 -6.418) 24.324 5.935 ( 11.471 -20.467 -6.418) 24.324 6.585 ( -19.902 5.784 20.043) 28.832 6.585 ( 19.902 5.784 20.043) 28.832 6.831 ( -11.498 -4.465 5.844) 13.649 6.831 ( 11.498 -4.465 5.844) 13.649 7.507 ( -3.030 4.198 7.278) 8.932 7.507 ( 3.030 4.198 7.278) 8.932 7.665 ( -4.872 -1.309 -1.912) 5.395 7.665 ( 4.872 -1.309 -1.912) 5.395 8.348 ( -15.227 19.488 0.719) 24.742 8.348 ( 15.227 19.488 0.719) 24.742 8.573 ( -16.216 11.243 1.442) 19.785 8.573 ( 16.216 11.243 1.442) 19.785 8.965 ( -5.748 9.067 -2.264) 10.972 8.965 ( 5.748 9.067 -2.264) 10.972 9.096 ( -5.983 -5.035 -6.263) 10.018 9.096 ( 5.983 -5.035 -6.263) 10.018 9.530 ( -8.532 -4.811 -4.974) 10.985 9.530 ( 8.532 -4.811 -4.974) 10.985 9.882 ( -4.410 4.264 -3.949) 7.295 9.882 ( 4.410 4.264 -3.949) 7.295 9.965 ( -5.398 7.046 -6.816) 11.191 9.965 ( 5.398 7.046 -6.816) 11.191 10.182 ( -1.223 1.724 8.672) 8.926 10.182 ( 1.223 1.724 8.672) 8.926 10.443 ( -22.368 -0.896 -4.490) 22.831 10.443 ( 22.368 -0.896 -4.490) 22.831 10.794 ( -4.187 -11.051 -7.980) 14.259 10.794 ( 4.187 -11.051 -7.980) 14.259 11.110 ( -9.981 -6.529 -4.895) 12.892 11.110 ( 9.981 -6.529 -4.895) 12.892 11.246 ( -4.629 -7.515 1.391) 8.935 11.246 ( 4.629 -7.515 1.391) 8.935 11.919 ( -8.172 -2.609 -6.994) 11.068 11.919 ( 8.172 -2.609 -6.994) 11.068 12.370 ( -6.718 -6.190 -10.026) 13.563 12.370 ( 6.718 -6.190 -10.026) 13.563 12.679 ( -12.665 1.638 -11.441) 17.146 12.679 ( 12.665 1.638 -11.441) 17.146 13.028 ( -6.216 -11.702 -8.215) 15.591 13.028 ( 6.216 -11.702 -8.215) 15.591 13.532 ( -11.486 2.911 -6.383) 13.458 13.532 ( 11.486 2.911 -6.383) 13.458 13.724 ( -16.534 -1.032 3.281) 16.888 13.724 ( 16.534 -1.032 3.281) 16.888 14.037 ( -3.348 7.505 -5.413) 9.841 14.037 ( 3.348 7.505 -5.413) 9.841 14.753 ( -3.102 -10.369 -0.083) 10.823 14.753 ( 3.102 -10.369 -0.083) 10.823 14.942 ( -5.116 4.223 -0.472) 6.651 14.942 ( 5.116 4.223 -0.472) 6.651 15.067 ( -8.802 12.596 1.396) 15.430 15.067 ( 8.802 12.596 1.396) 15.430 15.415 ( -7.146 -6.723 3.497) 10.416 15.415 ( 7.146 -6.723 3.497) 10.416 15.971 ( -9.856 -10.365 3.978) 14.846 15.971 ( 9.856 -10.365 3.978) 14.846 16.364 ( -13.249 10.477 1.089) 16.926 16.364 ( 13.249 10.477 1.089) 16.926 16.825 ( -13.723 -0.593 10.008) 16.995 16.825 ( 13.723 -0.593 10.008) 16.995 17.197 ( -1.113 6.274 -3.527) 7.283 17.197 ( 1.113 6.274 -3.527) 7.283 17.641 ( -5.047 -6.549 9.620) 12.685 17.641 ( 5.047 -6.549 9.620) 12.685 18.032 ( -6.500 3.505 5.182) 9.022 18.032 ( 6.500 3.505 5.182) 9.022 18.127 ( -2.777 -5.006 3.062) 6.492 18.127 ( 2.777 -5.006 3.062) 6.492 18.462 ( -10.747 14.891 -2.271) 18.504 18.462 ( 10.747 14.891 -2.271) 18.504 18.908 ( -9.172 0.228 -4.508) 10.223 18.908 ( 9.172 0.228 -4.508) 10.223 19.813 ( -1.020 2.201 0.104) 2.428 19.813 ( 1.020 2.201 0.104) 2.428 20.143 ( -7.006 -4.504 -2.190) 8.612 20.143 ( 7.006 -4.504 -2.190) 8.612 20.430 ( -7.273 -2.295 2.071) 7.902 20.430 ( 7.273 -2.295 2.071) 7.902 20.610 ( -10.898 -5.387 3.918) 12.772 20.610 ( 10.898 -5.387 3.918) 12.772 25.636 ( -3.951 1.782 -0.774) 4.402 25.636 ( 3.951 1.782 -0.774) 4.402 25.677 ( -4.826 0.529 0.421) 4.873 25.677 ( 4.826 0.529 0.421) 4.873 26.258 ( -1.945 7.640 -14.620) 16.611 26.258 ( 1.945 7.640 -14.620) 16.611 26.575 ( -1.575 -5.159 -13.444) 14.486 26.575 ( 1.575 -5.159 -13.444) 14.486 27.554 ( -9.987 8.424 2.364) 13.278 27.554 ( 9.987 8.424 2.364) 13.278 28.031 ( -10.508 -14.707 -2.564) 18.257 28.031 ( 10.508 -14.707 -2.564) 18.257 29.469 ( -4.930 13.562 0.514) 14.439 29.469 ( 4.930 13.562 0.514) 14.439 29.952 ( -5.864 -10.432 6.484) 13.611 29.952 ( 5.864 -10.432 6.484) 13.611 ======================= Grid point 119 (45/96) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.561 ( 0.000 -38.233 17.412) 42.011 3.561 ( 0.000 38.233 17.412) 42.011 3.718 ( 0.000 -35.424 28.252) 45.311 3.718 ( 0.000 35.424 28.252) 45.311 4.982 ( 0.000 -7.586 22.207) 23.467 4.982 ( 0.000 7.586 22.207) 23.467 5.120 ( 0.000 -22.930 9.936) 24.991 5.120 ( 0.000 22.930 9.936) 24.991 5.733 ( 0.000 -2.535 7.304) 7.731 5.733 ( 0.000 2.535 7.304) 7.731 6.314 ( 0.000 -17.104 10.035) 19.831 6.314 ( 0.000 17.104 10.035) 19.831 6.783 ( 0.000 -1.345 5.201) 5.372 6.783 ( 0.000 1.345 5.201) 5.372 6.960 ( 0.000 -4.516 -1.290) 4.696 6.960 ( 0.000 4.516 -1.290) 4.696 7.488 ( 0.000 -6.161 -0.575) 6.188 7.488 ( 0.000 6.161 -0.575) 6.188 7.748 ( 0.000 -3.956 -11.476) 12.138 7.748 ( 0.000 3.956 -11.476) 12.138 8.248 ( 0.000 -2.573 9.414) 9.760 8.248 ( 0.000 2.573 9.414) 9.760 8.342 ( 0.000 -5.434 0.282) 5.441 8.342 ( 0.000 5.434 0.282) 5.441 8.782 ( 0.000 -8.619 1.515) 8.751 8.782 ( 0.000 8.619 1.515) 8.751 9.036 ( 0.000 -2.542 3.888) 4.645 9.036 ( 0.000 2.542 3.888) 4.645 9.412 ( 0.000 -4.810 -4.690) 6.718 9.412 ( 0.000 4.810 -4.690) 6.718 9.766 ( 0.000 -11.145 0.794) 11.173 9.766 ( 0.000 11.145 0.794) 11.173 9.967 ( 0.000 -7.274 -6.904) 10.029 9.967 ( 0.000 7.274 -6.904) 10.029 10.292 ( 0.000 -14.046 -6.047) 15.293 10.292 ( 0.000 14.046 -6.047) 15.293 10.628 ( 0.000 -7.423 -12.450) 14.495 10.628 ( 0.000 7.423 -12.450) 14.495 10.911 ( 0.000 -0.064 -9.669) 9.669 10.911 ( 0.000 0.064 -9.669) 9.669 10.980 ( 0.000 -17.600 5.739) 18.512 10.980 ( 0.000 17.600 5.739) 18.512 11.673 ( 0.000 -0.006 -10.826) 10.826 11.673 ( 0.000 0.006 -10.826) 10.826 11.887 ( 0.000 -14.801 6.678) 16.237 11.887 ( 0.000 14.801 6.678) 16.237 12.150 ( 0.000 -14.111 -5.884) 15.288 12.150 ( 0.000 14.111 -5.884) 15.288 12.729 ( 0.000 -4.475 2.561) 5.156 12.729 ( 0.000 4.475 2.561) 5.156 12.977 ( 0.000 -2.515 -19.882) 20.040 12.977 ( 0.000 2.515 -19.882) 20.040 13.138 ( 0.000 -6.765 -0.015) 6.765 13.138 ( 0.000 6.765 -0.015) 6.765 13.862 ( 0.000 -0.282 -9.870) 9.874 13.862 ( 0.000 0.282 -9.870) 9.874 14.055 ( 0.000 -14.509 1.343) 14.571 14.055 ( 0.000 14.509 1.343) 14.571 14.414 ( 0.000 -0.583 -0.469) 0.749 14.414 ( 0.000 0.583 -0.469) 0.749 14.821 ( 0.000 -3.650 -23.872) 24.149 14.821 ( 0.000 3.650 -23.872) 24.149 15.199 ( 0.000 -0.822 8.582) 8.622 15.199 ( 0.000 0.822 8.582) 8.622 15.749 ( 0.000 -2.526 5.252) 5.828 15.749 ( 0.000 2.526 5.252) 5.828 16.298 ( 0.000 -13.532 6.733) 15.114 16.298 ( 0.000 13.532 6.733) 15.114 16.637 ( 0.000 -4.893 7.070) 8.598 16.637 ( 0.000 4.893 7.070) 8.598 16.796 ( 0.000 -8.772 -0.082) 8.772 16.796 ( 0.000 8.772 -0.082) 8.772 17.082 ( 0.000 -8.518 8.046) 11.717 17.082 ( 0.000 8.518 8.046) 11.717 17.344 ( 0.000 -8.944 11.037) 14.205 17.344 ( 0.000 8.944 11.037) 14.205 17.827 ( 0.000 -4.490 2.365) 5.075 17.827 ( 0.000 4.490 2.365) 5.075 18.239 ( 0.000 -0.018 2.808) 2.808 18.239 ( 0.000 0.018 2.808) 2.808 18.533 ( 0.000 -7.396 9.346) 11.918 18.533 ( 0.000 7.396 9.346) 11.918 19.052 ( 0.000 -0.680 -3.050) 3.124 19.052 ( 0.000 0.680 -3.050) 3.124 19.368 ( 0.000 -12.465 -9.221) 15.505 19.368 ( 0.000 12.465 -9.221) 15.505 20.263 ( 0.000 -7.945 -6.266) 10.118 20.263 ( 0.000 7.945 -6.266) 10.118 20.305 ( 0.000 -3.542 -2.925) 4.594 20.305 ( 0.000 3.542 -2.925) 4.594 21.097 ( 0.000 -6.235 4.253) 7.547 21.097 ( 0.000 6.235 4.253) 7.547 25.350 ( 0.000 -0.391 1.926) 1.965 25.350 ( 0.000 0.391 1.926) 1.965 25.886 ( 0.000 -1.767 4.422) 4.762 25.886 ( 0.000 1.767 4.422) 4.762 26.211 ( 0.000 -5.577 -12.596) 13.775 26.211 ( 0.000 5.577 -12.596) 13.775 26.502 ( 0.000 -4.901 -19.372) 19.983 26.502 ( 0.000 4.901 -19.372) 19.983 27.353 ( 0.000 -7.772 3.695) 8.605 27.353 ( 0.000 7.772 3.695) 8.605 28.162 ( 0.000 -2.126 0.819) 2.279 28.162 ( 0.000 2.126 0.819) 2.279 29.608 ( 0.000 -0.245 -2.551) 2.563 29.608 ( 0.000 0.245 -2.551) 2.563 29.911 ( 0.000 -8.612 6.576) 10.835 29.911 ( 0.000 8.612 6.576) 10.835 ======================= Grid point 121 (46/96) ======================= q-point: ( 0.17 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.674 ( 11.826 -39.730 15.899) 44.397 3.674 ( 11.826 39.730 15.899) 44.397 3.880 ( 15.858 -32.688 26.113) 44.742 3.880 ( 15.858 32.688 26.113) 44.742 4.935 ( -4.614 -8.030 21.207) 23.141 4.935 ( -4.614 8.030 21.207) 23.141 5.176 ( 4.860 -20.330 7.855) 22.330 5.176 ( 4.860 20.330 7.855) 22.330 5.700 ( -5.827 -10.414 5.920) 13.321 5.700 ( -5.827 10.414 5.920) 13.321 6.186 ( -10.037 -6.606 10.598) 16.022 6.186 ( -10.037 6.606 10.598) 16.022 6.553 ( -18.341 -3.986 2.476) 18.932 6.553 ( -18.341 3.986 2.476) 18.932 7.004 ( 4.150 -3.684 5.441) 7.771 7.004 ( 4.150 3.684 5.441) 7.771 7.471 ( -4.369 -7.147 -0.211) 8.379 7.471 ( -4.369 7.147 -0.211) 8.379 7.878 ( 10.257 -4.398 -7.978) 13.719 7.878 ( 10.257 4.398 -7.978) 13.719 8.174 ( -5.798 -1.028 4.099) 7.175 8.174 ( -5.799 1.028 4.099) 7.175 8.433 ( 11.082 -3.307 5.068) 12.626 8.433 ( 11.082 3.307 5.068) 12.626 8.858 ( 7.203 -6.574 -1.378) 9.849 8.858 ( 7.203 6.574 -1.378) 9.849 9.171 ( 9.223 -10.432 2.352) 14.122 9.171 ( 9.223 10.432 2.352) 14.122 9.465 ( 5.974 -6.621 -5.272) 10.360 9.465 ( 5.974 6.621 -5.272) 10.360 9.729 ( -3.353 -12.326 0.331) 12.778 9.729 ( -3.353 12.326 0.331) 12.778 9.891 ( -6.729 -5.080 -5.492) 10.062 9.891 ( -6.729 5.080 -5.492) 10.062 10.276 ( -2.314 -21.455 -4.992) 22.149 10.276 ( -2.314 21.455 -4.992) 22.149 10.676 ( 4.991 -11.426 -7.460) 14.530 10.676 ( 4.991 11.426 -7.460) 14.530 10.828 ( -7.443 -5.916 -9.679) 13.567 10.828 ( -7.443 5.916 -9.679) 13.567 10.997 ( 1.176 -15.336 4.128) 15.925 10.997 ( 1.176 15.336 4.128) 15.925 11.586 ( -14.725 -7.240 3.584) 16.796 11.586 ( -14.725 7.240 3.584) 16.796 11.826 ( 1.092 -9.430 -13.503) 16.506 11.826 ( 1.092 9.430 -13.503) 16.506 12.192 ( 4.869 -15.082 -9.379) 18.415 12.192 ( 4.869 15.082 -9.379) 18.415 12.618 ( -8.841 -3.703 3.166) 10.095 12.618 ( -8.841 3.703 3.166) 10.095 13.043 ( 2.466 -1.277 -21.025) 21.207 13.043 ( 2.466 1.277 -21.025) 21.207 13.192 ( 6.976 -5.953 3.441) 9.795 13.192 ( 6.976 5.953 3.441) 9.795 13.995 ( 12.350 -12.574 -7.763) 19.258 13.995 ( 12.350 12.574 -7.763) 19.258 14.083 ( 2.986 -16.376 2.094) 16.777 14.083 ( 2.986 16.376 2.094) 16.777 14.354 ( -8.814 -7.618 -1.942) 11.811 14.354 ( -8.814 7.618 -1.942) 11.811 14.845 ( 4.008 -2.957 -19.854) 20.469 14.845 ( 4.008 2.957 -19.854) 20.469 15.226 ( 2.160 -1.284 5.798) 6.319 15.226 ( 2.160 1.284 5.798) 6.319 15.670 ( -7.051 -3.331 7.032) 10.500 15.670 ( -7.051 3.331 7.032) 10.500 16.171 ( -12.396 -16.658 11.530) 23.750 16.171 ( -12.396 16.658 11.530) 23.750 16.494 ( -8.527 -9.799 1.451) 13.071 16.494 ( -8.527 9.799 1.451) 13.071 16.846 ( 3.922 -13.704 4.614) 14.983 16.846 ( 3.922 13.704 4.614) 14.983 17.144 ( 2.818 -8.433 0.465) 8.904 17.144 ( 2.818 8.433 0.465) 8.904 17.423 ( 6.746 -3.896 13.718) 15.776 17.423 ( 6.746 3.896 13.718) 15.776 17.919 ( 7.936 -6.759 2.841) 10.804 17.919 ( 7.936 6.759 2.841) 10.804 18.266 ( 1.706 -0.956 0.738) 2.090 18.266 ( 1.706 0.956 0.738) 2.090 18.447 ( -5.621 -12.182 5.539) 14.515 18.447 ( -5.621 12.182 5.539) 14.515 19.043 ( -2.295 -6.707 -4.266) 8.273 19.043 ( -2.295 6.707 -4.266) 8.273 19.453 ( 9.031 -6.790 -3.312) 11.774 19.453 ( 9.031 6.790 -3.312) 11.774 20.246 ( -2.259 -10.204 -6.234) 12.169 20.246 ( -2.259 10.204 -6.234) 12.169 20.314 ( 1.303 -1.401 -2.180) 2.900 20.314 ( 1.303 1.401 -2.180) 2.900 20.977 ( -11.635 -6.582 5.846) 14.590 20.977 ( -11.635 6.582 5.846) 14.590 25.412 ( 5.944 -1.097 0.829) 6.101 25.412 ( 5.944 1.097 0.829) 6.101 25.848 ( -3.544 -1.885 2.924) 4.966 25.848 ( -3.544 1.885 2.924) 4.966 26.248 ( 3.591 -4.310 -13.021) 14.178 26.248 ( 3.591 4.310 -13.021) 14.178 26.510 ( 0.364 -4.124 -17.887) 18.360 26.510 ( 0.364 4.124 -17.887) 18.360 27.406 ( 5.613 -8.719 2.972) 10.787 27.406 ( 5.613 8.719 2.972) 10.787 28.111 ( -5.395 -6.470 0.130) 8.425 28.111 ( -5.395 6.470 0.130) 8.425 29.608 ( 0.431 -6.937 -0.780) 6.994 29.608 ( 0.431 6.937 -0.780) 6.994 29.891 ( -2.245 -9.903 6.039) 11.815 29.891 ( -2.245 9.903 6.039) 11.815 ======================= Grid point 123 (47/96) ======================= q-point: ( 0.33 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.982 ( 19.591 -31.076 14.316) 39.427 3.982 ( 19.591 31.076 14.316) 39.427 4.247 ( 19.942 -21.147 20.554) 35.600 4.247 ( 19.942 21.147 20.554) 35.600 4.816 ( -6.864 -13.207 18.686) 23.889 4.816 ( -6.864 13.207 18.686) 23.889 5.235 ( -4.099 -20.039 2.328) 20.586 5.235 ( -4.099 20.039 2.328) 20.586 5.491 ( -9.245 -17.364 10.883) 22.481 5.491 ( -9.245 17.364 10.883) 22.481 5.901 ( -20.174 -14.454 -2.202) 24.915 5.901 ( -20.174 14.454 -2.202) 24.915 6.444 ( 8.807 -10.033 14.128) 19.438 6.444 ( 8.807 10.033 14.128) 19.438 6.988 ( -8.996 -4.552 11.117) 15.008 6.988 ( -8.996 4.552 11.117) 15.008 7.424 ( 3.728 -6.149 -1.938) 7.448 7.424 ( 3.728 6.149 -1.938) 7.448 7.836 ( -11.553 -3.464 6.194) 13.559 7.836 ( -11.553 3.464 6.194) 13.559 8.333 ( 18.928 -7.236 -6.345) 21.234 8.333 ( 18.928 7.236 -6.345) 21.234 8.693 ( 15.207 -4.911 4.962) 16.732 8.693 ( 15.207 4.911 4.962) 16.732 8.936 ( -2.815 -9.134 -3.451) 10.162 8.936 ( -2.815 9.134 -3.451) 10.162 9.219 ( -6.102 -8.100 1.255) 10.219 9.219 ( -6.102 8.100 1.255) 10.219 9.560 ( 0.842 -7.479 -5.568) 9.362 9.560 ( 0.842 7.479 -5.568) 9.362 9.665 ( -2.113 -9.449 -3.194) 10.196 9.665 ( -2.113 9.449 -3.194) 10.196 9.907 ( 13.072 -2.584 -0.312) 13.328 9.907 ( 13.072 2.584 -0.312) 13.328 10.233 ( 0.040 -21.496 -2.525) 21.644 10.233 ( 0.040 21.496 -2.525) 21.644 10.604 ( -12.021 -3.621 -7.849) 14.806 10.604 ( -12.021 3.621 -7.849) 14.806 10.846 ( 1.578 -5.958 -0.408) 6.177 10.846 ( 1.578 5.958 -0.408) 6.177 10.934 ( -4.774 -16.838 -1.930) 17.607 10.934 ( -4.774 16.838 -1.930) 17.607 11.273 ( -12.311 -7.217 -3.097) 14.603 11.273 ( -12.311 7.217 -3.097) 14.603 11.930 ( 8.225 -13.851 -11.534) 19.813 11.930 ( 8.225 13.851 -11.534) 19.813 12.259 ( -2.863 -14.530 -8.824) 17.239 12.259 ( -2.863 14.530 -8.824) 17.239 12.544 ( 6.525 -6.323 -5.353) 10.546 12.544 ( 6.525 6.323 -5.353) 10.546 13.004 ( -6.091 -2.806 -14.981) 16.414 13.004 ( -6.091 2.806 -14.981) 16.414 13.384 ( 11.799 -4.625 0.409) 12.680 13.384 ( 11.799 4.625 0.409) 12.680 13.993 ( -18.033 -7.902 -2.212) 19.813 13.993 ( -18.033 7.902 -2.212) 19.813 14.229 ( 5.245 -17.104 -4.025) 18.337 14.229 ( 5.245 17.104 -4.025) 18.337 14.252 ( 9.824 -11.738 1.415) 15.372 14.252 ( 9.824 11.738 1.415) 15.372 14.966 ( 7.827 -3.502 -13.222) 15.759 14.966 ( 7.827 3.502 -13.222) 15.759 15.234 ( -1.829 -6.290 0.171) 6.553 15.234 ( -1.829 6.290 0.171) 6.553 15.557 ( -3.515 -9.359 9.630) 13.881 15.557 ( -3.515 9.359 9.630) 13.881 15.870 ( -17.623 -21.782 9.369) 29.543 15.870 ( -17.623 21.782 9.369) 29.543 16.463 ( 5.759 -11.698 2.850) 13.347 16.463 ( 5.759 11.698 2.850) 13.347 16.847 ( -5.872 -17.121 9.773) 20.570 16.847 ( -5.872 17.121 9.773) 20.570 17.234 ( 8.618 -7.303 -3.784) 11.913 17.234 ( 8.618 7.303 -3.784) 11.913 17.511 ( 0.972 -8.011 10.730) 13.426 17.511 ( 0.972 8.011 10.730) 13.426 18.029 ( 2.797 -4.280 4.548) 6.843 18.029 ( 2.797 4.280 4.548) 6.843 18.177 ( -8.334 -4.120 1.362) 9.396 18.177 ( -8.334 4.120 1.362) 9.396 18.529 ( 12.101 -13.300 -2.684) 18.181 18.529 ( 12.101 13.300 -2.684) 18.181 18.949 ( -7.400 -11.825 -4.579) 14.682 18.949 ( -7.400 11.825 -4.579) 14.682 19.684 ( 14.452 -0.559 1.881) 14.585 19.684 ( 14.452 0.559 1.881) 14.585 20.161 ( -7.248 -7.996 -4.985) 11.888 20.161 ( -7.248 7.996 -4.985) 11.888 20.366 ( 4.349 -3.864 0.113) 5.819 20.366 ( 4.349 3.864 0.113) 5.819 20.716 ( -14.322 -6.919 7.304) 17.502 20.716 ( -14.322 6.919 7.304) 17.502 25.543 ( 7.181 -1.075 -0.379) 7.271 25.543 ( 7.181 1.075 -0.379) 7.271 25.768 ( -4.755 -1.589 0.978) 5.108 25.768 ( -4.755 1.589 0.978) 5.108 26.333 ( 5.112 -2.220 -14.355) 15.399 26.333 ( 5.112 2.220 -14.355) 15.399 26.496 ( -2.126 -2.607 -15.827) 16.180 26.496 ( -2.126 2.607 -15.827) 16.180 27.557 ( 9.911 -10.689 1.304) 14.635 27.557 ( 9.911 10.689 1.304) 14.635 27.965 ( -9.666 -10.636 -0.707) 14.389 27.965 ( -9.666 10.636 -0.707) 14.389 29.641 ( 3.221 -10.570 2.225) 11.272 29.641 ( 3.221 10.570 2.225) 11.272 29.824 ( -4.697 -11.264 5.174) 13.256 29.824 ( -4.697 11.264 5.174) 13.256 ======================= Grid point 125 (48/96) ======================= q-point: (-0.50 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.335 ( -12.120 -20.706 16.060) 28.872 4.335 ( 8.216 -20.221 16.060) 27.099 4.335 ( -8.216 20.221 16.060) 27.099 4.335 ( 12.120 20.706 16.060) 28.872 4.917 ( -19.935 -23.242 11.737) 32.793 4.917 ( 19.642 -23.180 11.737) 32.571 4.917 ( -19.642 23.180 11.737) 32.571 4.917 ( 19.935 23.242 11.737) 32.793 5.573 ( -12.519 -14.644 2.262) 19.399 5.573 ( 11.125 -14.360 2.262) 18.306 5.573 ( -11.125 14.360 2.262) 18.306 5.573 ( 12.519 14.644 2.262) 19.399 6.716 ( -15.808 -6.166 11.452) 20.471 6.716 ( -10.107 -1.045 11.452) 15.310 6.716 ( 10.107 1.045 11.452) 15.310 6.716 ( 15.808 6.166 11.452) 20.471 7.598 ( -11.437 -4.430 4.297) 12.995 7.598 ( -7.571 -1.122 4.297) 8.777 7.598 ( 7.571 1.122 4.297) 8.777 7.598 ( 11.437 4.430 4.297) 12.995 8.708 ( -17.296 -8.648 -5.005) 19.974 8.708 ( -6.435 -3.217 -5.005) 8.764 8.708 ( 6.435 3.217 -5.005) 8.764 8.708 ( 17.296 8.648 -5.005) 19.974 8.989 ( -14.319 -11.486 3.927) 18.772 8.989 ( 7.061 -9.651 3.927) 12.586 8.989 ( -7.061 9.651 3.927) 12.586 8.989 ( 14.319 11.486 3.927) 18.772 9.612 ( -3.011 -16.534 -5.298) 17.622 9.612 ( 2.601 -16.517 -5.298) 17.540 9.612 ( -2.601 16.517 -5.298) 17.540 9.612 ( 3.011 16.534 -5.298) 17.622 10.196 ( -11.509 -4.023 1.969) 12.350 10.196 ( -11.507 4.022 1.969) 12.348 10.196 ( 11.507 -4.022 1.969) 12.348 10.196 ( 11.509 4.023 1.969) 12.350 10.550 ( -11.396 -10.791 -7.912) 17.576 10.550 ( -1.182 -9.182 -7.912) 12.178 10.550 ( 1.182 9.182 -7.912) 12.178 10.550 ( 11.396 10.791 -7.912) 17.576 11.093 ( -9.491 -5.664 -2.183) 11.266 11.093 ( 2.056 -3.259 -2.183) 4.428 11.093 ( -2.056 3.259 -2.183) 4.428 11.093 ( 9.491 5.664 -2.183) 11.266 12.108 ( -9.812 -16.332 -9.167) 21.144 12.108 ( 9.396 -16.271 -9.167) 20.906 12.108 ( -9.396 16.271 -9.167) 20.906 12.108 ( 9.812 16.332 -9.167) 21.144 12.800 ( -13.531 -9.343 -10.694) 19.615 12.800 ( -1.292 -6.475 -10.694) 12.568 12.800 ( 1.292 6.475 -10.694) 12.568 12.800 ( 13.531 9.343 -10.694) 19.615 13.641 ( -16.260 -6.562 -1.993) 17.647 13.641 ( -16.178 6.511 -1.993) 17.552 13.641 ( 16.178 -6.511 -1.993) 17.552 13.641 ( 16.260 6.562 -1.993) 17.647 14.327 ( -2.119 -21.028 -1.395) 21.181 14.327 ( 1.985 -21.025 -1.395) 21.164 14.327 ( -1.985 21.025 -1.395) 21.164 14.327 ( 2.119 21.028 -1.395) 21.181 15.134 ( -7.496 -8.633 -3.834) 12.059 15.134 ( 1.725 -7.825 -3.834) 8.883 15.134 ( -1.725 7.825 -3.834) 8.883 15.134 ( 7.496 8.633 -3.834) 12.059 15.596 ( -8.768 -22.217 6.521) 24.759 15.596 ( 8.311 -22.173 6.521) 24.561 15.596 ( -8.311 22.173 6.521) 24.561 15.596 ( 8.768 22.217 6.521) 24.759 16.656 ( -12.305 -14.043 7.380) 20.077 16.656 ( 12.168 -14.014 7.380) 19.973 16.656 ( -12.168 14.014 7.380) 19.973 16.656 ( 12.305 14.043 7.380) 20.077 17.426 ( -8.032 -13.635 2.695) 16.053 17.426 ( 5.075 -13.275 2.695) 14.465 17.426 ( -5.075 13.275 2.695) 14.465 17.426 ( 8.032 13.635 2.695) 16.053 18.068 ( -2.791 -1.390 3.538) 4.716 18.068 ( -0.973 -0.472 3.538) 3.700 18.068 ( 0.973 0.472 3.538) 3.700 18.068 ( 2.791 1.390 3.538) 4.716 18.768 ( -11.668 -13.170 -4.314) 18.116 18.768 ( 11.641 -13.164 -4.314) 18.094 18.768 ( -11.641 13.164 -4.314) 18.094 18.768 ( 11.668 13.170 -4.314) 18.116 19.960 ( -10.112 -9.960 -0.323) 14.197 19.960 ( -3.277 -8.736 -0.323) 9.336 19.960 ( 3.277 8.736 -0.323) 9.336 19.960 ( 10.112 9.960 -0.323) 14.197 20.489 ( -9.094 -6.091 4.142) 11.703 20.489 ( 9.084 -6.087 4.142) 11.694 20.489 ( -9.084 6.087 4.142) 11.694 20.489 ( 9.094 6.091 4.142) 11.703 25.668 ( -5.811 -1.143 -0.185) 5.925 25.668 ( -5.542 0.737 -0.185) 5.594 25.668 ( 5.542 -0.737 -0.185) 5.594 25.668 ( 5.811 1.143 -0.185) 5.925 26.429 ( -1.834 -8.570 -15.100) 17.459 26.429 ( -0.525 -8.525 -15.100) 17.348 26.429 ( 0.525 8.525 -15.100) 17.348 26.429 ( 1.834 8.570 -15.100) 17.459 27.762 ( -11.138 -12.256 -0.235) 16.563 27.762 ( 10.090 -12.027 -0.235) 15.701 27.762 ( -10.090 12.027 -0.235) 15.701 27.762 ( 11.138 12.256 -0.235) 16.563 29.725 ( -5.126 -12.286 4.153) 13.945 29.725 ( 4.840 -12.257 4.153) 13.817 29.725 ( -4.840 12.257 4.153) 13.817 29.725 ( 5.126 12.286 4.153) 13.945 ======================= Grid point 147 (49/96) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( 0.000 0.000 49.206) 49.206 3.335 ( 0.000 0.000 52.905) 52.905 4.468 ( 0.000 0.000 50.069) 50.069 5.257 ( 0.000 0.000 21.830) 21.830 5.304 ( 0.000 0.000 -1.260) 1.260 5.413 ( 0.000 0.000 9.031) 9.031 5.607 ( 0.000 0.000 -4.631) 4.631 5.617 ( 0.000 0.000 12.378) 12.378 5.622 ( 0.000 0.000 6.234) 6.234 5.670 ( 0.000 0.000 22.411) 22.411 6.097 ( 0.000 0.000 36.607) 36.607 6.260 ( 0.000 0.000 -7.124) 7.124 6.689 ( 0.000 0.000 -5.346) 5.346 6.942 ( 0.000 0.000 -0.765) 0.765 7.083 ( 0.000 0.000 -10.760) 10.760 7.264 ( 0.000 0.000 4.126) 4.126 7.418 ( 0.000 0.000 -11.584) 11.584 7.646 ( 0.000 0.000 -13.058) 13.058 7.732 ( 0.000 0.000 -0.166) 0.166 7.763 ( 0.000 0.000 -16.943) 16.943 7.951 ( 0.000 0.000 6.126) 6.126 7.974 ( 0.000 0.000 2.491) 2.491 8.420 ( 0.000 0.000 2.304) 2.304 8.499 ( 0.000 0.000 -0.268) 0.268 8.524 ( 0.000 0.000 0.078) 0.078 8.584 ( 0.000 0.000 -2.850) 2.850 8.804 ( 0.000 0.000 0.215) 0.215 8.850 ( 0.000 0.000 7.930) 7.930 8.867 ( 0.000 0.000 5.275) 5.275 8.968 ( 0.000 0.000 -14.720) 14.720 9.525 ( 0.000 0.000 6.086) 6.086 9.676 ( 0.000 0.000 9.569) 9.569 9.706 ( 0.000 0.000 -18.835) 18.835 9.826 ( 0.000 0.000 13.327) 13.327 9.877 ( 0.000 0.000 -9.391) 9.391 9.900 ( 0.000 0.000 -2.116) 2.116 10.282 ( 0.000 0.000 9.241) 9.241 10.468 ( 0.000 0.000 -8.042) 8.042 10.643 ( 0.000 0.000 -5.809) 5.809 11.065 ( 0.000 0.000 -8.786) 8.786 11.156 ( 0.000 0.000 -6.050) 6.050 11.198 ( 0.000 0.000 -11.307) 11.307 11.571 ( 0.000 0.000 -2.626) 2.626 12.010 ( 0.000 0.000 -25.651) 25.651 12.321 ( 0.000 0.000 -19.328) 19.328 12.326 ( 0.000 0.000 15.478) 15.478 12.517 ( 0.000 0.000 -17.019) 17.019 12.590 ( 0.000 0.000 -6.649) 6.649 12.788 ( 0.000 0.000 -6.424) 6.424 12.938 ( 0.000 0.000 -23.513) 23.513 12.941 ( 0.000 0.000 -8.102) 8.102 13.108 ( 0.000 0.000 -1.640) 1.640 13.139 ( 0.000 0.000 -17.951) 17.951 13.150 ( 0.000 0.000 6.470) 6.470 13.478 ( 0.000 0.000 1.026) 1.026 13.884 ( 0.000 0.000 16.003) 16.003 14.116 ( 0.000 0.000 -4.376) 4.376 14.236 ( 0.000 0.000 13.067) 13.067 14.265 ( 0.000 0.000 -15.835) 15.835 14.536 ( 0.000 0.000 -15.591) 15.591 14.680 ( 0.000 0.000 9.947) 9.947 14.858 ( 0.000 0.000 11.922) 11.922 15.105 ( 0.000 0.000 2.411) 2.411 15.239 ( 0.000 0.000 0.954) 0.954 15.471 ( 0.000 0.000 7.329) 7.329 15.798 ( 0.000 0.000 5.112) 5.112 15.958 ( 0.000 0.000 17.209) 17.209 16.015 ( 0.000 0.000 -1.577) 1.577 16.251 ( 0.000 0.000 -3.079) 3.079 16.390 ( 0.000 0.000 -21.477) 21.477 16.819 ( 0.000 0.000 11.389) 11.389 17.013 ( 0.000 0.000 23.456) 23.456 17.123 ( 0.000 0.000 -7.939) 7.939 17.315 ( 0.000 0.000 3.237) 3.237 17.598 ( 0.000 0.000 -3.510) 3.510 17.720 ( 0.000 0.000 9.339) 9.339 18.131 ( 0.000 0.000 -4.179) 4.179 18.132 ( 0.000 0.000 23.081) 23.081 18.155 ( 0.000 0.000 5.901) 5.901 18.182 ( 0.000 0.000 14.567) 14.567 18.472 ( 0.000 0.000 -14.101) 14.101 18.573 ( 0.000 0.000 -3.441) 3.441 18.875 ( 0.000 0.000 -3.046) 3.046 18.898 ( 0.000 0.000 3.625) 3.625 19.266 ( 0.000 0.000 17.795) 17.795 19.740 ( 0.000 0.000 -6.133) 6.133 19.789 ( 0.000 0.000 0.562) 0.562 20.036 ( 0.000 0.000 -5.548) 5.548 20.118 ( 0.000 0.000 -8.282) 8.282 20.642 ( 0.000 0.000 -12.577) 12.577 20.814 ( 0.000 0.000 -10.694) 10.694 21.191 ( 0.000 0.000 -2.390) 2.390 25.439 ( 0.000 0.000 3.014) 3.014 25.497 ( 0.000 0.000 4.555) 4.555 25.670 ( 0.000 0.000 -3.424) 3.424 25.683 ( 0.000 0.000 4.681) 4.681 25.690 ( 0.000 0.000 5.038) 5.038 25.935 ( 0.000 0.000 -5.022) 5.022 26.509 ( 0.000 0.000 -7.489) 7.489 26.634 ( 0.000 0.000 -11.275) 11.275 27.182 ( 0.000 0.000 1.193) 1.193 27.709 ( 0.000 0.000 -4.196) 4.196 28.478 ( 0.000 0.000 6.577) 6.577 28.634 ( 0.000 0.000 -6.384) 6.384 28.790 ( 0.000 0.000 1.586) 1.586 29.061 ( 0.000 0.000 -13.982) 13.982 30.040 ( 0.000 0.000 9.160) 9.160 30.548 ( 0.000 0.000 -5.984) 5.984 ======================= Grid point 148 (50/96) ======================= q-point: ( 0.17 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.280 ( -1.134 0.000 52.244) 52.257 3.370 ( 9.250 0.000 45.452) 46.384 4.659 ( 10.479 0.000 35.936) 37.433 4.945 ( -25.480 0.000 4.700) 25.909 5.191 ( -4.501 0.000 23.222) 23.654 5.443 ( 1.000 0.000 13.377) 13.414 5.524 ( -1.303 0.000 11.047) 11.124 5.574 ( -3.267 0.000 2.168) 3.921 5.696 ( 3.264 0.000 20.889) 21.143 6.025 ( 22.385 0.000 -2.411) 22.515 6.208 ( 11.511 0.000 38.800) 40.471 6.320 ( 5.953 0.000 -6.128) 8.544 6.434 ( -13.141 0.000 -11.006) 17.141 6.755 ( -13.671 0.000 2.826) 13.960 7.031 ( -14.925 0.000 -4.602) 15.618 7.169 ( -10.121 0.000 -0.739) 10.148 7.351 ( 1.206 0.000 -7.757) 7.850 7.664 ( 1.114 0.000 -10.743) 10.801 7.802 ( -8.580 0.000 3.904) 9.426 7.923 ( 11.877 0.000 -10.667) 15.964 7.966 ( 14.991 0.000 0.716) 15.008 8.093 ( 7.717 0.000 -1.449) 7.852 8.445 ( 0.373 0.000 3.085) 3.108 8.517 ( 2.401 0.000 7.772) 8.134 8.519 ( -0.391 0.000 -0.731) 0.829 8.616 ( 1.274 0.000 -0.568) 1.395 8.796 ( -0.145 0.000 -3.445) 3.448 8.924 ( -2.014 0.000 -13.174) 13.327 8.983 ( 14.087 0.000 1.627) 14.181 9.032 ( 8.927 0.000 6.754) 11.194 9.455 ( -5.965 0.000 -4.846) 7.685 9.587 ( -6.392 0.000 4.710) 7.940 9.651 ( -6.914 0.000 -10.055) 12.203 9.717 ( 3.627 0.000 7.908) 8.700 9.761 ( -0.800 0.000 -1.860) 2.024 10.205 ( 9.827 0.000 -8.362) 12.903 10.480 ( 14.906 0.000 9.033) 17.430 10.503 ( 6.820 0.000 -7.817) 10.373 10.572 ( -7.307 0.000 -5.250) 8.997 10.938 ( -9.780 0.000 -2.389) 10.068 11.123 ( 5.489 0.000 -7.538) 9.324 11.294 ( -2.180 0.000 -2.134) 3.051 11.676 ( 9.454 0.000 -9.515) 13.413 11.813 ( -16.153 0.000 -26.061) 30.661 12.226 ( -12.371 0.000 -16.953) 20.986 12.306 ( -4.373 0.000 4.203) 6.065 12.384 ( -11.799 0.000 -9.230) 14.980 12.517 ( -1.715 0.000 -21.688) 21.756 12.599 ( -6.526 0.000 5.251) 8.376 12.772 ( -13.472 0.000 -18.864) 23.180 13.126 ( 8.531 0.000 -1.379) 8.642 13.270 ( 15.702 0.000 5.653) 16.689 13.290 ( 13.867 0.000 3.430) 14.285 13.358 ( 14.259 0.000 -23.843) 27.782 13.440 ( -7.065 0.000 3.030) 7.688 13.611 ( -12.139 0.000 -9.583) 15.466 14.092 ( -14.482 0.000 14.477) 20.477 14.168 ( -3.638 0.000 -6.154) 7.148 14.368 ( 7.884 0.000 10.962) 13.502 14.408 ( -7.399 0.000 -8.106) 10.975 14.889 ( 17.172 0.000 0.018) 17.172 14.909 ( 0.538 0.000 11.313) 11.326 15.154 ( 5.015 0.000 -2.178) 5.468 15.327 ( 5.737 0.000 2.073) 6.100 15.496 ( 2.498 0.000 7.246) 7.664 15.817 ( 1.868 0.000 5.364) 5.680 15.908 ( -2.808 0.000 -1.604) 3.234 15.971 ( 1.156 0.000 8.894) 8.969 16.150 ( -27.526 0.000 8.283) 28.746 16.297 ( 5.362 0.000 -0.187) 5.366 16.699 ( 7.381 0.000 -9.953) 12.391 17.022 ( -11.178 0.000 -9.764) 14.842 17.204 ( -10.433 0.000 2.945) 10.841 17.277 ( 3.822 0.000 3.326) 5.067 17.647 ( 5.393 0.000 2.134) 5.800 17.775 ( 12.146 0.000 11.995) 17.070 18.023 ( -13.224 0.000 11.785) 17.713 18.145 ( -0.066 0.000 7.575) 7.575 18.211 ( 2.774 0.000 10.659) 11.014 18.288 ( 9.539 0.000 7.866) 12.364 18.440 ( -2.136 0.000 1.060) 2.385 18.460 ( -1.430 0.000 -10.064) 10.165 18.609 ( -17.197 0.000 3.977) 17.651 19.028 ( 5.194 0.000 7.547) 9.162 19.605 ( 23.451 0.000 10.975) 25.892 19.774 ( 4.541 0.000 -7.069) 8.402 19.856 ( 5.841 0.000 -3.569) 6.845 20.024 ( -1.159 0.000 -6.485) 6.587 20.104 ( -1.039 0.000 -7.465) 7.537 20.553 ( -6.372 0.000 -11.139) 12.833 20.823 ( -0.939 0.000 -10.604) 10.646 21.118 ( -7.636 0.000 -2.144) 7.931 25.436 ( 1.677 0.000 2.944) 3.388 25.564 ( 4.292 0.000 1.344) 4.497 25.684 ( 0.086 0.000 4.724) 4.725 25.690 ( -0.002 0.000 5.033) 5.033 25.692 ( 2.957 0.000 -4.882) 5.707 25.945 ( 0.926 0.000 -4.476) 4.571 26.483 ( -2.838 0.000 -8.851) 9.295 26.606 ( -3.104 0.000 -10.810) 11.247 27.230 ( 4.946 0.000 1.969) 5.323 27.701 ( -1.539 0.000 -3.412) 3.743 28.415 ( -4.083 0.000 8.580) 9.502 28.659 ( 2.614 0.000 -6.896) 7.375 28.777 ( -2.370 0.000 -0.013) 2.370 29.029 ( -3.311 0.000 -13.470) 13.871 30.079 ( 3.911 0.000 8.388) 9.255 30.518 ( -3.159 0.000 -3.957) 5.063 ======================= Grid point 149 (51/96) ======================= q-point: ( 0.33 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 16.807 0.000 43.160) 46.317 3.622 ( 17.052 0.000 35.917) 39.759 4.457 ( -25.483 0.000 13.463) 28.821 4.467 ( -27.393 0.000 22.879) 35.691 5.275 ( 9.826 0.000 19.797) 22.101 5.462 ( 1.117 0.000 15.073) 15.114 5.503 ( -3.866 0.000 9.623) 10.371 5.505 ( -0.978 0.000 14.211) 14.244 5.798 ( 7.759 0.000 13.548) 15.612 6.234 ( -8.391 0.000 -5.585) 10.080 6.309 ( 2.526 0.000 -13.462) 13.697 6.427 ( 9.906 0.000 -6.969) 12.112 6.605 ( 25.231 0.000 42.660) 49.563 6.707 ( -15.724 0.000 -5.775) 16.751 6.751 ( 16.162 0.000 7.749) 17.923 6.942 ( -11.662 0.000 -3.700) 12.234 7.345 ( -3.944 0.000 4.228) 5.781 7.556 ( -13.758 0.000 -0.555) 13.770 7.683 ( -2.035 0.000 2.121) 2.939 8.090 ( -2.694 0.000 9.965) 10.323 8.152 ( 12.220 0.000 -9.443) 15.444 8.215 ( 0.098 0.000 -6.255) 6.256 8.339 ( -8.417 0.000 3.332) 9.052 8.498 ( -2.612 0.000 -2.627) 3.704 8.613 ( -0.247 0.000 0.613) 0.661 8.674 ( 13.416 0.000 10.388) 16.968 8.716 ( -6.467 0.000 -5.930) 8.774 8.963 ( -6.357 0.000 10.297) 12.101 9.057 ( 13.381 0.000 -12.203) 18.110 9.325 ( 17.422 0.000 -4.400) 17.969 9.407 ( -1.854 0.000 -5.001) 5.334 9.499 ( -8.759 0.000 -9.864) 13.192 9.683 ( 5.075 0.000 -5.240) 7.295 9.823 ( 9.840 0.000 3.392) 10.409 9.825 ( 7.569 0.000 -8.137) 11.113 10.245 ( 1.480 0.000 -2.974) 3.322 10.352 ( -14.871 0.000 -7.163) 16.507 10.720 ( 10.779 0.000 1.442) 10.875 10.753 ( 12.894 0.000 1.905) 13.034 10.793 ( -8.444 0.000 3.481) 9.133 11.172 ( -4.802 0.000 -8.820) 10.043 11.310 ( 12.335 0.000 -3.335) 12.777 11.619 ( -21.769 0.000 -4.865) 22.306 11.620 ( 1.351 0.000 -16.543) 16.598 12.031 ( -4.718 0.000 -16.671) 17.325 12.099 ( -15.003 0.000 -4.171) 15.572 12.188 ( -6.133 0.000 -17.890) 18.913 12.416 ( -13.642 0.000 -26.360) 29.680 12.656 ( 7.215 0.000 -16.129) 17.669 12.682 ( 13.230 0.000 9.378) 16.217 13.164 ( -16.144 0.000 -13.349) 20.948 13.261 ( 1.325 0.000 -2.729) 3.034 13.466 ( 4.582 0.000 -6.614) 8.047 13.478 ( -0.366 0.000 -14.371) 14.376 13.562 ( 8.425 0.000 18.548) 20.372 13.709 ( 7.841 0.000 13.543) 15.649 13.869 ( -0.831 0.000 -2.473) 2.609 13.963 ( -1.677 0.000 -1.384) 2.174 14.294 ( -7.277 0.000 6.162) 9.535 14.642 ( 14.236 0.000 8.457) 16.559 14.912 ( 3.933 0.000 1.328) 4.152 14.931 ( -15.809 0.000 14.686) 21.578 15.215 ( -15.680 0.000 -8.121) 17.659 15.220 ( -0.928 0.000 -3.334) 3.461 15.566 ( 5.310 0.000 9.293) 10.703 15.801 ( -4.489 0.000 12.439) 13.224 15.920 ( 9.234 0.000 0.245) 9.237 16.058 ( 9.536 0.000 -11.692) 15.087 16.132 ( 19.795 0.000 0.720) 19.808 16.464 ( 11.931 0.000 5.296) 13.054 16.685 ( -7.414 0.000 -2.879) 7.954 16.707 ( -20.504 0.000 -14.130) 24.902 16.978 ( -12.999 0.000 5.966) 14.302 17.269 ( -9.160 0.000 -12.885) 15.809 17.746 ( -3.655 0.000 8.566) 9.313 17.799 ( 10.359 0.000 9.140) 13.815 18.086 ( -0.745 0.000 10.011) 10.039 18.091 ( 10.167 0.000 5.186) 11.414 18.240 ( -5.217 0.000 8.160) 9.685 18.339 ( -5.138 0.000 10.379) 11.581 18.420 ( 1.690 0.000 4.839) 5.126 18.432 ( -2.737 0.000 -13.082) 13.365 18.553 ( 11.814 0.000 15.230) 19.275 19.002 ( -7.392 0.000 13.255) 15.176 19.817 ( 4.663 0.000 -2.794) 5.436 19.947 ( 3.319 0.000 -8.096) 8.750 19.961 ( -1.087 0.000 0.069) 1.089 20.078 ( -2.584 0.000 -6.247) 6.761 20.139 ( 22.754 0.000 -3.728) 23.057 20.504 ( 2.560 0.000 -8.794) 9.159 20.755 ( -5.991 0.000 -9.312) 11.073 20.905 ( -14.783 0.000 -1.512) 14.860 25.506 ( 4.932 0.000 0.641) 4.973 25.610 ( 0.541 0.000 -1.745) 1.827 25.686 ( 0.126 0.000 4.826) 4.828 25.689 ( -0.043 0.000 5.005) 5.005 25.795 ( 7.241 0.000 -7.493) 10.421 25.963 ( 0.417 0.000 -4.938) 4.956 26.413 ( -3.483 0.000 -10.651) 11.206 26.515 ( -6.235 0.000 -9.658) 11.496 27.353 ( 7.537 0.000 3.318) 8.235 27.629 ( -5.971 0.000 0.586) 5.999 28.408 ( 3.854 0.000 6.557) 7.606 28.686 ( -7.010 0.000 -0.464) 7.025 28.730 ( 4.776 0.000 -8.290) 9.567 28.943 ( -5.473 0.000 -12.077) 13.259 30.177 ( 6.274 0.000 6.578) 9.090 30.431 ( -5.891 0.000 0.208) 5.894 ======================= Grid point 150 (52/96) ======================= q-point: (-0.50 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( -30.420 0.000 30.432) 43.029 3.884 ( 30.420 0.000 30.432) 43.029 4.000 ( -22.551 0.000 24.252) 33.116 4.000 ( 22.551 0.000 24.252) 33.116 5.420 ( -5.455 0.000 13.087) 14.178 5.420 ( 5.455 0.000 13.087) 14.178 5.485 ( -1.185 0.000 15.806) 15.850 5.485 ( 1.185 0.000 15.806) 15.850 5.993 ( -12.687 0.000 4.944) 13.616 5.993 ( 12.687 0.000 4.944) 13.616 6.439 ( -10.798 0.000 -10.784) 15.261 6.439 ( 10.798 0.000 -10.784) 15.261 6.663 ( -13.411 0.000 -8.066) 15.650 6.663 ( 13.411 0.000 -8.066) 15.650 7.110 ( -21.948 0.000 29.115) 36.461 7.110 ( 21.948 0.000 29.115) 36.461 7.192 ( -22.707 0.000 5.829) 23.443 7.192 ( 22.707 0.000 5.829) 23.443 7.812 ( -15.880 0.000 5.993) 16.973 7.812 ( 15.880 0.000 5.993) 16.973 8.253 ( -3.868 0.000 -3.581) 5.271 8.253 ( 3.868 0.000 -3.581) 5.271 8.373 ( -10.342 0.000 -8.592) 13.445 8.373 ( 10.342 0.000 -8.592) 13.445 8.633 ( -2.414 0.000 -0.326) 2.435 8.633 ( 2.414 0.000 -0.326) 2.435 8.874 ( -6.044 0.000 14.685) 15.880 8.874 ( 6.044 0.000 14.685) 15.880 9.308 ( -11.885 0.000 -11.787) 16.739 9.308 ( 11.885 0.000 -11.787) 16.739 9.438 ( -4.129 0.000 -10.760) 11.525 9.438 ( 4.129 0.000 -10.760) 11.525 9.812 ( -10.270 0.000 -4.171) 11.084 9.812 ( 10.270 0.000 -4.171) 11.084 10.049 ( -15.454 0.000 -8.677) 17.723 10.049 ( 15.454 0.000 -8.677) 17.723 10.467 ( -18.308 0.000 8.542) 20.203 10.467 ( 18.308 0.000 8.542) 20.203 10.983 ( -11.897 0.000 -7.898) 14.280 10.983 ( 11.897 0.000 -7.898) 14.280 11.109 ( -26.255 0.000 -1.095) 26.277 11.109 ( 26.255 0.000 -1.095) 26.277 11.715 ( -23.989 0.000 -8.379) 25.411 11.715 ( 23.989 0.000 -8.379) 25.411 11.810 ( -14.582 0.000 -5.630) 15.631 11.810 ( 14.582 0.000 -5.630) 15.631 12.235 ( -6.176 0.000 -26.622) 27.329 12.235 ( 6.176 0.000 -26.622) 27.329 12.871 ( -14.282 0.000 -17.073) 22.259 12.871 ( 14.282 0.000 -17.073) 22.259 13.016 ( -19.971 0.000 2.909) 20.182 13.016 ( 19.971 0.000 2.909) 20.182 13.552 ( -6.118 0.000 2.294) 6.534 13.552 ( 6.118 0.000 2.294) 6.534 13.581 ( -8.664 0.000 -4.183) 9.621 13.581 ( 8.664 0.000 -4.183) 9.621 14.071 ( -15.031 0.000 5.507) 16.008 14.071 ( 15.031 0.000 5.507) 16.008 14.369 ( -30.381 0.000 23.488) 38.402 14.369 ( 30.381 0.000 23.488) 38.402 14.955 ( -13.096 0.000 -7.607) 15.145 14.955 ( 13.096 0.000 -7.607) 15.145 15.087 ( -11.369 0.000 -5.292) 12.540 15.087 ( 11.369 0.000 -5.292) 12.540 15.688 ( -6.773 0.000 12.703) 14.396 15.688 ( 6.773 0.000 12.703) 14.396 16.192 ( -14.230 0.000 -0.873) 14.256 16.192 ( 14.230 0.000 -0.873) 14.256 16.325 ( -18.219 0.000 -16.191) 24.374 16.325 ( 18.219 0.000 -16.191) 24.374 16.718 ( -14.179 0.000 6.957) 15.793 16.718 ( 14.179 0.000 6.957) 15.793 16.861 ( -25.723 0.000 -3.113) 25.910 16.861 ( 25.723 0.000 -3.113) 25.910 17.905 ( -12.385 0.000 0.491) 12.395 17.905 ( 12.385 0.000 0.491) 12.395 18.021 ( -12.712 0.000 12.862) 18.084 18.021 ( 12.712 0.000 12.862) 18.084 18.338 ( -9.675 0.000 7.917) 12.501 18.338 ( 9.675 0.000 7.917) 12.501 18.374 ( -3.412 0.000 -4.323) 5.508 18.374 ( 3.412 0.000 -4.323) 5.508 18.799 ( -12.841 0.000 16.156) 20.637 18.799 ( 12.841 0.000 16.156) 20.637 19.900 ( -4.130 0.000 -3.518) 5.425 19.900 ( 4.130 0.000 -3.518) 5.425 20.009 ( -3.791 0.000 -7.430) 8.341 20.009 ( 3.791 0.000 -7.430) 8.341 20.567 ( -20.798 0.000 -0.896) 20.817 20.567 ( 20.798 0.000 -0.896) 20.817 20.618 ( -7.807 0.000 -8.060) 11.221 20.618 ( 7.807 0.000 -8.060) 11.221 25.587 ( -2.987 0.000 -1.305) 3.260 25.587 ( 2.987 0.000 -1.305) 3.260 25.688 ( -0.102 0.000 4.934) 4.935 25.688 ( 0.102 0.000 4.934) 4.935 25.924 ( -5.149 0.000 -8.120) 9.615 25.924 ( 5.149 0.000 -8.120) 9.615 26.407 ( -3.604 0.000 -9.502) 10.162 26.407 ( 3.604 0.000 -9.502) 10.162 27.497 ( -7.492 0.000 3.496) 8.267 27.497 ( 7.492 0.000 3.496) 8.267 28.533 ( -8.327 0.000 1.984) 8.560 28.533 ( 8.327 0.000 1.984) 8.560 28.833 ( -5.913 0.000 -10.184) 11.776 28.833 ( 5.913 0.000 -10.184) 11.776 30.306 ( -7.026 0.000 3.941) 8.056 30.306 ( 7.026 0.000 3.941) 8.056 ======================= Grid point 154 (53/96) ======================= q-point: ( 0.00 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.348 ( 0.000 7.235 48.845) 49.378 3.464 ( 0.000 12.740 50.031) 51.628 4.617 ( 0.000 13.714 36.318) 38.821 5.109 ( 0.000 -23.867 7.817) 25.114 5.260 ( 0.000 -13.397 15.751) 20.678 5.276 ( 0.000 0.730 21.194) 21.206 5.394 ( 0.000 1.300 -5.760) 5.905 5.645 ( 0.000 -1.188 24.064) 24.094 5.739 ( 0.000 10.225 8.716) 13.436 5.948 ( 0.000 7.545 7.404) 10.571 6.178 ( 0.000 5.963 34.475) 34.987 6.179 ( 0.000 -0.858 -3.609) 3.709 6.754 ( 0.000 4.216 -9.215) 10.134 6.764 ( 0.000 -7.910 -1.911) 8.138 7.191 ( 0.000 4.335 -9.534) 10.474 7.208 ( 0.000 -11.268 -2.071) 11.457 7.289 ( 0.000 1.576 -0.453) 1.640 7.476 ( 0.000 -13.647 -9.313) 16.522 7.671 ( 0.000 2.384 -6.595) 7.012 7.896 ( 0.000 1.288 0.612) 1.426 8.104 ( 0.000 12.027 -2.817) 12.352 8.284 ( 0.000 6.061 2.304) 6.484 8.340 ( 0.000 9.058 2.304) 9.347 8.495 ( 0.000 1.831 -4.884) 5.216 8.510 ( 0.000 1.102 0.328) 1.150 8.668 ( 0.000 2.921 -2.738) 4.004 8.755 ( 0.000 -2.544 -3.117) 4.023 8.873 ( 0.000 3.812 6.554) 7.582 8.990 ( 0.000 14.863 -2.743) 15.114 9.033 ( 0.000 3.626 -10.002) 10.639 9.574 ( 0.000 5.614 4.161) 6.988 9.624 ( 0.000 -4.037 12.081) 12.738 9.788 ( 0.000 6.253 -12.677) 14.135 9.861 ( 0.000 -0.222 -8.950) 8.952 9.906 ( 0.000 1.369 11.543) 11.624 10.009 ( 0.000 11.455 -4.898) 12.458 10.325 ( 0.000 2.795 6.389) 6.974 10.500 ( 0.000 5.735 -5.275) 7.792 10.679 ( 0.000 2.737 -1.442) 3.094 11.018 ( 0.000 -4.828 -12.554) 13.450 11.153 ( 0.000 -1.511 -6.972) 7.134 11.210 ( 0.000 -2.321 -13.357) 13.557 11.447 ( 0.000 -4.919 -8.476) 9.800 12.005 ( 0.000 -9.685 -17.667) 20.147 12.103 ( 0.000 -16.624 -4.860) 17.320 12.373 ( 0.000 -3.290 9.985) 10.513 12.437 ( 0.000 -17.227 -16.775) 24.045 12.467 ( 0.000 -0.678 -11.795) 11.814 12.628 ( 0.000 -4.650 -5.289) 7.043 12.759 ( 0.000 -13.713 -8.788) 16.287 12.940 ( 0.000 -13.376 -7.349) 15.262 12.958 ( 0.000 -6.680 -13.438) 15.006 13.053 ( 0.000 -3.970 3.960) 5.607 13.058 ( 0.000 2.183 -8.093) 8.382 13.638 ( 0.000 9.308 3.258) 9.862 13.664 ( 0.000 -15.671 -6.696) 17.041 14.184 ( 0.000 16.460 8.310) 18.438 14.203 ( 0.000 -4.632 -12.724) 13.541 14.332 ( 0.000 -1.586 -9.331) 9.464 14.475 ( 0.000 -8.783 11.702) 14.632 14.924 ( 0.000 15.731 -8.684) 17.968 15.015 ( 0.000 -11.123 -3.004) 11.521 15.093 ( 0.000 -4.605 1.519) 4.849 15.178 ( 0.000 16.749 12.464) 20.878 15.404 ( 0.000 -3.074 9.629) 10.108 15.671 ( 0.000 -7.196 -0.162) 7.198 15.978 ( 0.000 3.027 15.063) 15.364 16.157 ( 0.000 16.691 7.907) 18.469 16.441 ( 0.000 6.590 -8.734) 10.942 16.456 ( 0.000 13.259 -2.793) 13.549 16.855 ( 0.000 1.715 4.944) 5.233 16.892 ( 0.000 -9.081 9.702) 13.289 17.165 ( 0.000 0.789 -6.603) 6.650 17.379 ( 0.000 4.577 7.293) 8.611 17.579 ( 0.000 -0.077 3.381) 3.382 17.715 ( 0.000 -4.683 1.931) 5.065 18.024 ( 0.000 -4.079 21.691) 22.071 18.068 ( 0.000 -6.612 0.173) 6.614 18.189 ( 0.000 3.726 5.990) 7.054 18.243 ( 0.000 3.251 9.094) 9.657 18.524 ( 0.000 2.327 0.499) 2.379 18.624 ( 0.000 8.759 -6.574) 10.952 18.890 ( 0.000 1.253 3.159) 3.398 18.911 ( 0.000 3.009 -2.977) 4.233 19.219 ( 0.000 -8.459 12.403) 15.013 19.652 ( 0.000 -3.880 -1.679) 4.228 19.839 ( 0.000 3.875 -0.614) 3.924 20.142 ( 0.000 2.161 -7.273) 7.587 20.183 ( 0.000 8.793 -6.413) 10.883 20.668 ( 0.000 4.059 -12.578) 13.217 20.680 ( 0.000 -11.922 -10.008) 15.566 21.215 ( 0.000 0.950 -3.821) 3.937 25.429 ( 0.000 -0.802 3.290) 3.387 25.458 ( 0.000 -3.046 5.700) 6.463 25.648 ( 0.000 3.090 -5.127) 5.986 25.710 ( 0.000 2.976 0.721) 3.062 25.828 ( 0.000 7.477 2.244) 7.807 25.946 ( 0.000 0.852 -4.320) 4.403 26.481 ( 0.000 -3.333 -7.604) 8.302 26.559 ( 0.000 -7.425 -12.412) 14.464 27.203 ( 0.000 2.545 2.160) 3.338 27.689 ( 0.000 -2.246 -2.997) 3.746 28.323 ( 0.000 -15.311 0.456) 15.317 28.389 ( 0.000 -7.250 2.741) 7.751 29.129 ( 0.000 18.512 -3.840) 18.907 29.183 ( 0.000 10.456 -9.778) 14.316 30.022 ( 0.000 -1.683 8.537) 8.701 30.447 ( 0.000 -9.506 -3.786) 10.232 ======================= Grid point 155 (54/96) ======================= q-point: ( 0.17 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.310 ( 1.616 7.454 48.231) 48.830 3.593 ( 10.303 17.263 43.686) 48.090 4.706 ( 1.960 6.249 24.248) 25.117 5.053 ( -14.524 3.784 9.210) 17.609 5.138 ( 2.812 -13.964 15.511) 21.059 5.242 ( -1.767 -3.709 18.631) 19.078 5.470 ( 1.380 -3.301 11.158) 11.717 5.613 ( -0.250 -2.012 16.024) 16.152 5.728 ( -0.220 3.016 11.736) 12.120 6.016 ( -7.092 -0.272 -2.665) 7.581 6.176 ( 11.299 -7.777 3.546) 14.168 6.271 ( 9.489 4.279 32.839) 34.450 6.577 ( -11.723 -4.792 -3.512) 13.143 6.677 ( -4.128 10.646 -5.607) 12.721 6.945 ( -14.279 -6.686 -0.354) 15.771 7.277 ( -2.307 0.711 -3.412) 4.180 7.346 ( 2.981 6.111 -3.697) 7.739 7.573 ( 1.093 -7.331 -3.774) 8.318 7.817 ( 14.033 -0.924 -8.895) 16.640 7.895 ( -4.958 -0.774 1.883) 5.360 7.965 ( 0.164 -0.347 -0.175) 0.422 8.336 ( -3.301 -5.943 7.226) 9.921 8.364 ( 0.969 21.450 -5.507) 22.167 8.445 ( 1.333 0.436 1.439) 2.010 8.578 ( 5.408 4.445 0.448) 7.015 8.773 ( 6.222 7.577 -1.748) 9.959 8.860 ( 4.617 -0.704 -4.779) 6.682 8.957 ( 4.580 9.918 -5.566) 12.260 9.036 ( 12.005 4.849 -4.497) 13.706 9.108 ( 7.812 6.681 0.422) 10.288 9.470 ( -9.717 1.332 -1.986) 10.007 9.612 ( -3.640 0.048 5.713) 6.774 9.653 ( -3.540 3.824 -2.108) 5.621 9.758 ( -2.150 5.736 -8.763) 10.692 9.901 ( 0.042 7.732 4.688) 9.042 10.240 ( 10.090 3.526 -6.398) 12.457 10.433 ( 8.561 0.763 2.876) 9.064 10.552 ( -1.097 2.014 -1.336) 2.654 10.664 ( 4.899 6.864 -1.267) 8.528 10.860 ( -8.119 -6.075 -4.979) 11.297 11.130 ( 1.258 -1.508 -9.832) 10.026 11.346 ( 1.102 4.083 -6.509) 7.763 11.453 ( 0.959 -13.563 -13.085) 18.871 11.858 ( -13.006 -6.425 -13.287) 19.672 12.073 ( -4.378 -14.421 -10.888) 18.593 12.263 ( -8.733 -16.673 -11.633) 22.127 12.326 ( -6.012 -8.217 7.683) 12.755 12.389 ( -17.977 -0.749 -11.284) 21.238 12.468 ( -1.861 -4.967 -16.847) 17.663 12.683 ( -5.535 -8.569 -4.754) 11.254 12.923 ( 3.705 -10.977 -6.300) 13.188 13.111 ( 8.794 -12.081 -0.179) 14.944 13.200 ( 8.618 -3.382 2.860) 9.690 13.260 ( 14.295 -5.086 -12.991) 19.974 13.544 ( -5.103 -3.310 -5.307) 8.072 13.679 ( 5.740 10.565 0.395) 12.030 13.987 ( -11.855 0.226 -5.393) 13.026 14.216 ( -7.607 -2.356 -11.667) 14.125 14.506 ( 9.591 0.990 -0.500) 9.655 14.615 ( 13.754 -0.746 11.353) 17.850 14.725 ( -11.677 21.570 0.968) 24.548 15.049 ( 0.702 -10.966 2.273) 11.221 15.116 ( 4.312 -15.167 0.710) 15.783 15.363 ( 11.452 15.156 2.552) 19.167 15.432 ( 2.985 -2.225 9.062) 9.797 15.686 ( 1.359 -3.123 0.827) 3.505 15.954 ( -5.572 2.007 10.658) 12.193 16.064 ( -16.045 3.886 6.729) 17.827 16.271 ( 0.736 22.433 5.778) 23.177 16.469 ( -0.485 7.577 -0.973) 7.655 16.643 ( -4.924 -1.556 2.620) 5.791 17.043 ( -10.770 1.408 -10.352) 15.005 17.146 ( 6.416 -10.651 -2.097) 12.610 17.348 ( -6.344 7.104 -3.963) 10.316 17.637 ( 1.377 -0.800 2.204) 2.719 17.784 ( 15.908 -0.175 11.135) 19.418 18.055 ( 3.644 -8.847 17.896) 20.293 18.100 ( -4.890 1.591 8.751) 10.150 18.173 ( -0.926 1.632 2.442) 3.080 18.271 ( 1.232 3.679 7.600) 8.533 18.480 ( -9.409 -0.342 10.681) 14.238 18.488 ( -1.537 3.561 -2.082) 4.402 18.669 ( -4.834 8.449 -7.151) 12.078 19.096 ( 1.119 2.484 7.208) 7.705 19.434 ( 18.394 -11.191 2.654) 21.694 19.743 ( 8.845 -3.470 -1.049) 9.559 19.861 ( 1.920 1.829 -1.363) 2.981 20.132 ( -0.007 4.458 -6.631) 7.990 20.192 ( 0.555 7.554 -6.889) 10.238 20.559 ( -5.781 -0.144 -10.035) 11.582 20.716 ( -0.690 -6.819 -9.610) 11.804 21.142 ( -7.590 0.789 -3.231) 8.287 25.436 ( 2.035 -0.054 3.099) 3.708 25.502 ( 3.190 -3.601 1.982) 5.203 25.667 ( 1.205 1.314 -1.768) 2.511 25.729 ( 2.609 3.999 -2.463) 5.372 25.802 ( -2.259 5.590 1.113) 6.131 25.963 ( 1.453 1.701 -3.753) 4.369 26.457 ( -2.612 -3.387 -9.554) 10.468 26.544 ( -1.866 -5.990 -11.619) 13.204 27.249 ( 4.806 2.389 2.878) 6.090 27.697 ( 0.073 -0.604 -3.061) 3.121 28.226 ( -5.434 -12.987 5.231) 15.019 28.436 ( 1.264 -11.591 -1.406) 11.744 29.069 ( -3.387 16.519 -4.613) 17.482 29.210 ( 0.335 14.560 -8.150) 16.689 30.049 ( 2.769 -2.960 7.925) 8.901 30.422 ( -2.662 -9.089 -2.349) 9.758 ======================= Grid point 156 (55/96) ======================= q-point: ( 0.33 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.498 ( 18.533 9.664 38.683) 43.969 3.832 ( 14.723 18.169 33.593) 40.931 4.513 ( -18.437 8.540 18.326) 27.362 4.639 ( -28.617 12.829 15.549) 35.004 5.267 ( 6.412 -2.104 16.577) 17.898 5.278 ( 5.198 -14.242 12.228) 19.477 5.469 ( 0.143 -1.656 16.971) 17.052 5.600 ( -4.202 3.934 10.459) 11.938 5.750 ( 5.945 -4.400 17.750) 19.230 5.966 ( 4.204 -18.674 -9.251) 21.260 6.236 ( -14.940 -3.297 0.491) 15.307 6.330 ( -5.909 -18.930 -2.828) 20.031 6.553 ( 11.897 1.895 9.518) 15.353 6.730 ( 16.098 3.970 23.497) 28.758 6.919 ( 9.625 9.678 2.301) 13.842 7.129 ( -10.277 12.128 -2.637) 16.114 7.346 ( -3.530 1.087 2.639) 4.539 7.562 ( 1.103 -6.173 -0.347) 6.280 7.649 ( -15.045 4.732 1.058) 15.807 8.086 ( 9.380 -0.791 0.349) 9.420 8.096 ( 7.625 -2.595 0.812) 8.095 8.153 ( -15.194 -6.596 8.799) 18.756 8.337 ( -0.278 7.612 -3.878) 8.548 8.577 ( 8.635 6.040 2.129) 10.751 8.681 ( -3.058 13.312 -5.117) 14.586 8.794 ( 1.631 10.698 -2.178) 11.039 8.847 ( -0.854 -0.680 2.692) 2.905 9.073 ( -1.264 1.815 -2.930) 3.671 9.131 ( 8.609 14.063 -6.738) 17.813 9.311 ( 9.511 1.619 -5.457) 11.084 9.498 ( -3.200 8.731 -9.491) 13.288 9.542 ( 2.568 -1.951 -7.228) 7.914 9.677 ( 7.343 3.739 -5.414) 9.859 9.832 ( 11.952 2.633 -3.232) 12.658 9.920 ( 2.119 5.912 0.159) 6.282 10.286 ( -1.537 3.242 0.035) 3.588 10.368 ( -12.113 2.640 -1.959) 12.552 10.614 ( 9.022 -1.585 -2.287) 9.442 10.765 ( -2.928 -3.282 3.409) 5.564 10.932 ( 12.276 7.011 0.577) 14.148 11.115 ( -10.703 -5.552 -11.421) 16.607 11.261 ( 2.037 -4.754 -2.480) 5.736 11.436 ( 0.378 -6.481 -1.791) 6.735 11.649 ( -10.544 -11.859 -8.450) 17.978 11.914 ( -11.868 -11.592 -12.389) 20.705 12.016 ( -12.586 -8.781 -9.340) 17.965 12.199 ( -2.606 -2.740 -18.300) 18.687 12.242 ( -4.562 -9.821 -16.894) 20.067 12.479 ( 3.119 -8.119 -15.619) 17.877 12.592 ( -2.804 -10.340 2.988) 11.122 13.022 ( 4.732 -8.355 -4.384) 10.555 13.184 ( 3.807 -5.112 -8.247) 10.423 13.314 ( 3.160 -1.014 -2.428) 4.112 13.529 ( 7.562 -8.625 -11.566) 16.289 13.541 ( -7.939 2.198 -0.479) 8.252 13.737 ( 8.875 -4.965 9.366) 13.825 13.858 ( 2.345 4.457 1.913) 5.388 14.083 ( -2.205 2.036 -9.742) 10.194 14.512 ( -9.027 22.645 -0.629) 24.386 14.615 ( -4.695 -12.689 -2.122) 13.695 14.778 ( 3.963 10.363 15.945) 19.425 15.055 ( -3.116 -1.931 4.563) 5.853 15.218 ( 4.299 -2.766 -6.681) 8.412 15.385 ( -3.329 0.699 11.619) 12.106 15.512 ( 5.398 -8.672 5.220) 11.471 15.666 ( -4.475 -0.594 7.216) 8.512 15.871 ( 7.812 8.077 -2.278) 11.466 16.007 ( 4.476 0.349 5.426) 7.043 16.329 ( -1.119 8.667 3.226) 9.316 16.535 ( -2.100 1.278 -1.627) 2.948 16.589 ( 7.754 5.038 2.743) 9.646 16.758 ( -10.080 2.096 -9.469) 13.988 17.055 ( -13.039 0.414 -1.970) 13.194 17.329 ( -4.769 3.385 -9.523) 11.176 17.699 ( 6.685 -1.899 2.059) 7.248 17.946 ( -2.328 10.449 11.869) 15.984 18.076 ( 9.055 -1.047 8.550) 12.498 18.104 ( -5.419 1.580 0.226) 5.649 18.161 ( 7.743 -10.794 10.197) 16.747 18.251 ( -5.039 0.894 6.980) 8.655 18.336 ( -3.370 -0.525 9.973) 10.540 18.570 ( -0.347 2.055 3.857) 4.384 18.638 ( 6.897 7.777 1.014) 10.444 19.033 ( -7.028 1.886 10.182) 12.515 19.700 ( 8.862 -7.188 -4.498) 12.265 19.861 ( -0.635 -5.566 -0.018) 5.602 19.950 ( 8.362 -0.164 -6.183) 10.401 20.141 ( -2.174 3.624 -3.722) 5.631 20.255 ( 10.679 5.746 -5.125) 13.166 20.514 ( 1.737 1.550 -6.049) 6.481 20.656 ( -5.107 -7.045 -6.481) 10.850 20.938 ( -13.646 1.025 -2.147) 13.852 25.507 ( 4.794 0.197 0.202) 4.802 25.559 ( 2.500 -2.374 -1.074) 3.611 25.677 ( 0.181 -0.286 1.888) 1.918 25.748 ( -2.789 3.079 2.341) 4.769 25.821 ( 6.030 2.710 -8.659) 10.894 25.985 ( 0.124 1.987 -5.161) 5.532 26.396 ( -2.877 -2.733 -11.733) 12.386 26.480 ( -4.717 -3.514 -10.734) 12.240 27.372 ( 7.685 2.353 3.996) 8.976 27.651 ( -5.290 2.427 0.116) 5.822 28.197 ( 2.802 -14.510 4.252) 15.377 28.408 ( -4.146 -14.396 -2.772) 15.235 29.044 ( 1.058 17.911 -4.234) 18.435 29.178 ( -3.426 17.003 -6.825) 18.639 30.125 ( 5.181 -5.207 6.266) 9.655 30.347 ( -5.198 -8.114 0.778) 9.668 ======================= Grid point 157 (56/96) ======================= q-point: (-0.50 0.17 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.953 ( -23.250 8.975 26.600) 36.451 3.953 ( 23.250 8.975 26.600) 36.451 4.213 ( -11.902 18.242 23.304) 31.899 4.213 ( 11.902 18.242 23.304) 31.899 5.331 ( -1.297 -8.275 12.468) 15.020 5.331 ( 1.297 -8.275 12.468) 15.020 5.511 ( -4.223 1.763 15.733) 16.385 5.511 ( 4.223 1.763 15.733) 16.385 5.942 ( -13.228 -6.892 9.413) 17.637 5.942 ( 13.228 -6.892 9.413) 17.637 6.127 ( -10.700 -18.263 -9.267) 23.106 6.127 ( 10.700 -18.263 -9.267) 23.106 6.817 ( -14.247 3.599 -1.003) 14.729 6.817 ( 14.247 3.599 -1.003) 14.729 7.102 ( -15.322 -2.820 19.510) 24.967 7.102 ( 15.322 -2.820 19.510) 24.967 7.309 ( -15.917 12.934 3.276) 20.769 7.309 ( 15.917 12.934 3.276) 20.769 7.786 ( -18.884 -2.122 6.720) 20.156 7.786 ( 18.884 -2.122 6.720) 20.156 8.171 ( -1.642 1.157 0.277) 2.027 8.171 ( 1.642 1.157 0.277) 2.027 8.463 ( -12.441 6.097 -2.164) 14.023 8.463 ( 12.441 6.097 -2.164) 14.023 8.720 ( -6.369 7.423 3.781) 10.486 8.720 ( 6.369 7.423 3.781) 10.486 9.021 ( -8.852 4.246 -5.422) 11.215 9.021 ( 8.852 4.246 -5.422) 11.215 9.287 ( -7.660 6.722 -6.998) 12.362 9.287 ( 7.660 6.722 -6.998) 12.362 9.497 ( -4.931 2.428 -12.272) 13.447 9.497 ( 4.931 2.428 -12.272) 13.447 9.870 ( -8.401 4.631 -2.759) 9.982 9.870 ( 8.401 4.631 -2.759) 9.982 10.110 ( -12.886 6.650 -6.195) 15.769 10.110 ( 12.886 6.650 -6.195) 15.769 10.474 ( -19.497 0.022 7.285) 20.814 10.474 ( 19.497 0.022 7.285) 20.814 10.834 ( -12.299 -9.346 -7.087) 16.995 10.834 ( 12.299 -9.346 -7.087) 16.995 11.227 ( -16.829 5.216 2.592) 17.808 11.227 ( 16.829 5.216 2.592) 17.808 11.501 ( -13.712 -16.853 -2.877) 21.917 11.501 ( 13.712 -16.853 -2.877) 21.917 11.818 ( -7.684 -4.173 -12.327) 15.114 11.818 ( 7.684 -4.173 -12.327) 15.114 12.192 ( -1.095 -5.044 -24.702) 25.235 12.192 ( 1.095 -5.044 -24.702) 25.235 12.547 ( -3.117 -14.991 -5.638) 16.316 12.547 ( 3.117 -14.991 -5.638) 16.316 13.174 ( -12.806 1.432 3.443) 13.338 13.174 ( 12.806 1.432 3.443) 13.338 13.307 ( -5.483 -1.325 -17.487) 18.374 13.307 ( 5.483 -1.325 -17.487) 18.374 13.741 ( -10.471 -6.398 -1.430) 12.354 13.741 ( 10.471 -6.398 -1.430) 12.354 14.067 ( -13.084 -3.856 11.800) 18.036 14.067 ( 13.084 -3.856 11.800) 18.036 14.411 ( -5.071 8.834 0.530) 10.200 14.411 ( 5.071 8.834 0.530) 10.200 14.886 ( -8.323 8.517 2.606) 12.191 14.886 ( 8.323 8.517 2.606) 12.191 15.374 ( -7.332 0.593 0.832) 7.403 15.374 ( 7.332 0.593 0.832) 7.403 15.566 ( -1.778 -5.369 6.337) 8.494 15.566 ( 1.778 -5.369 6.337) 8.494 16.055 ( -6.960 0.923 5.909) 9.177 16.055 ( 6.960 0.923 5.909) 9.177 16.315 ( -10.970 -3.781 -7.571) 13.855 16.315 ( 10.970 -3.781 -7.571) 13.855 16.781 ( -14.589 7.201 0.231) 16.271 16.781 ( 14.589 7.201 0.231) 16.271 17.015 ( -21.742 6.923 -3.258) 23.049 17.015 ( 21.742 6.923 -3.258) 23.049 17.914 ( -11.900 0.989 1.386) 12.022 17.914 ( 11.900 0.989 1.386) 12.022 18.050 ( -7.923 2.604 9.287) 12.482 18.050 ( 7.923 2.604 9.287) 12.482 18.216 ( -2.297 -5.810 5.922) 8.608 18.216 ( 2.297 -5.810 5.922) 8.608 18.440 ( -9.973 1.595 3.484) 10.684 18.440 ( 9.973 1.595 3.484) 10.684 18.851 ( -11.588 4.363 10.189) 16.035 18.851 ( 11.588 4.363 10.189) 16.035 19.813 ( -3.996 -5.015 -4.181) 7.655 19.813 ( 3.996 -5.015 -4.181) 7.655 20.066 ( -4.863 2.515 -6.192) 8.265 20.066 ( 4.863 2.515 -6.192) 8.265 20.498 ( -9.719 -3.942 -2.482) 10.778 20.498 ( 9.719 -3.942 -2.482) 10.778 20.668 ( -12.140 2.024 -3.078) 12.687 20.668 ( 12.140 2.024 -3.078) 12.687 25.575 ( -1.408 -0.372 -1.894) 2.389 25.575 ( 1.408 -0.372 -1.894) 2.389 25.695 ( -2.206 0.250 2.890) 3.645 25.695 ( 2.206 0.250 2.890) 3.645 25.938 ( -5.193 1.548 -8.886) 10.408 25.938 ( 5.193 1.548 -8.886) 10.408 26.395 ( -3.118 -2.029 -10.834) 11.455 26.395 ( 3.118 -2.029 -10.834) 11.455 27.521 ( -7.795 2.782 3.658) 9.049 27.521 ( 7.795 2.782 3.658) 9.049 28.299 ( -6.665 -15.073 -0.439) 16.486 28.299 ( 6.665 -15.073 -0.439) 16.486 29.100 ( -4.221 18.166 -5.191) 19.359 29.100 ( 4.221 18.166 -5.191) 19.359 30.236 ( -6.220 -6.886 3.856) 10.048 30.236 ( 6.220 -6.886 3.856) 10.048 ======================= Grid point 161 (57/96) ======================= q-point: ( 0.00 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.588 ( 0.000 17.212 41.213) 44.663 3.817 ( 0.000 21.984 42.315) 47.685 4.581 ( 0.000 -27.770 15.930) 32.015 4.822 ( 0.000 -15.618 19.815) 25.230 4.989 ( 0.000 8.758 21.066) 22.814 5.334 ( 0.000 4.192 22.789) 23.171 5.399 ( 0.000 -2.826 -1.184) 3.064 5.601 ( 0.000 -4.873 22.172) 22.701 5.865 ( 0.000 -5.217 6.475) 8.315 5.884 ( 0.000 1.680 10.239) 10.376 6.298 ( 0.000 7.669 16.326) 18.037 6.368 ( 0.000 11.237 1.768) 11.375 6.788 ( 0.000 9.008 9.365) 12.995 6.794 ( 0.000 0.010 -9.091) 9.091 7.030 ( 0.000 -4.748 -0.265) 4.756 7.141 ( 0.000 -12.329 2.417) 12.564 7.298 ( 0.000 -0.152 -21.579) 21.580 7.436 ( 0.000 9.760 -2.483) 10.071 7.629 ( 0.000 -5.627 3.981) 6.893 7.874 ( 0.000 -3.347 7.924) 8.602 8.243 ( 0.000 2.348 3.712) 4.393 8.305 ( 0.000 5.260 -5.819) 7.844 8.373 ( 0.000 -3.177 -0.334) 3.195 8.489 ( 0.000 -5.477 2.839) 6.169 8.617 ( 0.000 3.775 0.260) 3.784 8.841 ( 0.000 6.698 -0.506) 6.718 8.934 ( 0.000 11.530 -2.270) 11.752 9.041 ( 0.000 21.406 -8.736) 23.120 9.133 ( 0.000 8.823 -6.845) 11.167 9.341 ( 0.000 15.322 0.458) 15.328 9.490 ( 0.000 -6.749 7.393) 10.010 9.727 ( 0.000 7.771 -6.993) 10.455 9.816 ( 0.000 -2.512 -0.021) 2.512 9.882 ( 0.000 1.142 -5.002) 5.130 9.938 ( 0.000 4.622 0.784) 4.688 10.263 ( 0.000 8.725 -5.209) 10.162 10.396 ( 0.000 6.730 2.442) 7.159 10.609 ( 0.000 -2.156 -5.569) 5.971 10.710 ( 0.000 -2.736 -0.894) 2.879 10.894 ( 0.000 -8.973 -6.587) 11.131 10.971 ( 0.000 -12.958 -12.054) 17.698 11.080 ( 0.000 -0.833 -11.434) 11.464 11.520 ( 0.000 -1.489 -12.256) 12.346 11.688 ( 0.000 -4.638 -12.824) 13.637 11.723 ( 0.000 -20.359 -4.461) 20.842 12.081 ( 0.000 -10.281 -10.024) 14.359 12.214 ( 0.000 -13.922 0.674) 13.939 12.473 ( 0.000 -15.753 8.689) 17.991 12.547 ( 0.000 5.510 -9.166) 10.695 12.588 ( 0.000 -0.395 -7.655) 7.665 12.693 ( 0.000 -7.606 -13.280) 15.304 12.849 ( 0.000 -4.256 -1.029) 4.379 13.093 ( 0.000 5.384 -11.526) 12.721 13.134 ( 0.000 3.250 -1.649) 3.644 13.548 ( 0.000 4.503 -8.094) 9.262 13.750 ( 0.000 3.742 7.719) 8.578 14.114 ( 0.000 -6.280 -6.874) 9.311 14.228 ( 0.000 -9.101 -19.561) 21.575 14.369 ( 0.000 -2.316 0.528) 2.375 14.421 ( 0.000 4.831 -3.198) 5.794 14.613 ( 0.000 -18.838 2.033) 18.948 14.644 ( 0.000 -18.902 -1.113) 18.935 15.348 ( 0.000 6.605 12.268) 13.932 15.436 ( 0.000 7.001 17.389) 18.746 15.554 ( 0.000 17.137 -5.786) 18.087 15.708 ( 0.000 7.758 -3.148) 8.372 16.103 ( 0.000 9.751 8.370) 12.851 16.378 ( 0.000 2.719 -3.642) 4.545 16.650 ( 0.000 10.778 9.245) 14.200 16.702 ( 0.000 -2.235 2.176) 3.119 16.760 ( 0.000 9.893 6.462) 11.817 16.833 ( 0.000 -1.946 -4.703) 5.090 17.151 ( 0.000 -0.852 -7.318) 7.367 17.408 ( 0.000 -7.397 14.766) 16.515 17.548 ( 0.000 -3.558 -3.920) 5.295 17.600 ( 0.000 0.529 10.505) 10.518 17.944 ( 0.000 -3.872 7.403) 8.355 17.982 ( 0.000 -2.245 15.536) 15.697 18.267 ( 0.000 3.382 4.986) 6.025 18.292 ( 0.000 1.591 4.689) 4.951 18.600 ( 0.000 4.643 7.404) 8.739 18.883 ( 0.000 13.278 -2.159) 13.452 18.936 ( 0.000 -5.438 3.504) 6.469 18.972 ( 0.000 -5.849 6.289) 8.588 19.001 ( 0.000 8.865 -1.653) 9.018 19.571 ( 0.000 -7.269 1.494) 7.420 19.924 ( 0.000 5.909 -5.426) 8.022 20.189 ( 0.000 2.318 -5.165) 5.662 20.260 ( 0.000 -0.293 -5.062) 5.071 20.399 ( 0.000 -15.417 -10.260) 18.519 20.838 ( 0.000 11.592 -10.586) 15.698 21.188 ( 0.000 -4.071 -5.569) 6.898 25.415 ( 0.000 -0.587 3.597) 3.645 25.415 ( 0.000 -1.094 4.543) 4.673 25.767 ( 0.000 7.944 -7.845) 11.165 25.807 ( 0.000 6.692 -5.551) 8.694 25.950 ( 0.000 4.656 -0.525) 4.685 25.960 ( 0.000 0.412 -4.666) 4.684 26.361 ( 0.000 -11.355 -13.280) 17.472 26.362 ( 0.000 -8.422 -8.112) 11.693 27.295 ( 0.000 6.718 4.512) 8.092 27.604 ( 0.000 -6.466 2.249) 6.846 28.131 ( 0.000 -3.843 -0.433) 3.867 28.244 ( 0.000 -6.711 -0.971) 6.781 29.410 ( 0.000 11.171 -5.421) 12.417 29.432 ( 0.000 11.523 -3.471) 12.035 29.983 ( 0.000 -1.681 6.718) 6.925 30.215 ( 0.000 -12.647 0.013) 12.647 ======================= Grid point 162 (58/96) ======================= q-point: ( 0.17 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.593 ( 4.451 20.422 38.118) 43.472 3.986 ( 13.630 21.722 37.818) 45.693 4.652 ( 7.379 -27.623 14.247) 31.945 4.815 ( -1.082 -7.270 15.629) 17.271 5.039 ( 3.888 4.110 19.179) 19.996 5.278 ( -5.760 4.140 21.562) 22.699 5.450 ( 4.156 -3.180 4.107) 6.653 5.576 ( -3.552 -4.127 20.376) 21.091 5.712 ( -8.459 0.064 10.682) 13.626 5.985 ( 2.685 -7.861 5.768) 10.113 6.096 ( -19.852 6.504 2.540) 21.044 6.335 ( -0.932 2.296 9.125) 9.456 6.583 ( -8.564 1.567 1.524) 8.839 6.733 ( -14.170 -5.247 4.905) 15.887 6.961 ( 8.507 8.896 2.314) 12.525 7.242 ( 5.432 -3.158 0.985) 6.360 7.474 ( -4.334 0.832 4.126) 6.042 7.531 ( 9.513 8.663 -8.699) 15.531 7.699 ( 6.371 -9.664 1.666) 11.694 7.825 ( 7.941 -2.393 -1.190) 8.379 8.065 ( -11.272 6.851 -1.418) 13.267 8.290 ( -6.543 -1.182 4.588) 8.078 8.452 ( 5.920 1.362 0.298) 6.082 8.609 ( 9.648 -1.030 4.479) 10.687 8.742 ( 8.737 1.298 -4.839) 10.071 8.865 ( 4.226 15.521 -0.261) 16.088 9.060 ( 2.789 18.426 -6.745) 19.819 9.073 ( 10.698 0.787 -5.751) 12.171 9.203 ( 7.059 9.521 -0.354) 11.858 9.321 ( -0.659 13.470 -6.408) 14.931 9.459 ( -4.019 -1.863 -2.706) 5.191 9.641 ( -5.906 5.868 2.098) 8.586 9.775 ( -2.546 5.383 -9.437) 11.158 9.860 ( -1.688 1.443 -4.203) 4.754 9.942 ( 1.289 -1.119 4.842) 5.134 10.382 ( 4.593 8.143 -5.939) 11.075 10.465 ( 9.027 1.081 0.635) 9.113 10.618 ( -2.087 -3.993 -5.475) 7.091 10.710 ( -9.428 2.658 -0.557) 9.812 10.748 ( 4.935 -8.824 -2.371) 10.384 11.068 ( 2.932 -9.024 -11.200) 14.679 11.087 ( 2.213 -6.788 -7.728) 10.521 11.502 ( -4.916 -2.341 -7.054) 8.911 11.612 ( -10.407 -2.156 -11.323) 15.529 11.725 ( -2.240 -16.076 -5.452) 17.123 11.929 ( -11.119 -12.082 -2.153) 16.561 12.138 ( -8.896 -12.367 -8.267) 17.333 12.210 ( -3.866 -16.245 -7.711) 18.393 12.474 ( -7.188 5.774 -8.799) 12.745 12.648 ( -7.170 3.161 -0.002) 7.836 12.794 ( 1.076 -4.687 -12.153) 13.070 12.873 ( 10.765 -10.529 -1.667) 15.150 13.171 ( 4.469 -1.065 -3.283) 5.647 13.201 ( 8.704 0.375 -10.157) 13.382 13.569 ( 1.888 7.003 -2.384) 7.634 13.840 ( 9.911 7.651 2.656) 12.799 14.036 ( -9.408 4.110 -11.140) 15.149 14.186 ( -7.587 -3.071 -21.187) 22.713 14.381 ( 5.153 -12.515 0.584) 13.546 14.556 ( 10.449 -10.472 -0.732) 14.811 14.662 ( 4.336 -17.337 -0.876) 17.893 14.704 ( 6.443 -11.623 2.804) 13.582 15.252 ( -8.783 16.921 8.125) 20.724 15.403 ( -0.461 2.519 13.258) 13.503 15.623 ( 3.909 9.677 3.984) 11.172 15.773 ( 3.651 4.660 2.131) 6.292 16.099 ( 0.472 10.221 4.726) 11.271 16.208 ( -20.333 9.705 3.752) 22.841 16.488 ( 3.608 -0.496 0.478) 3.674 16.621 ( -10.490 10.307 16.543) 22.135 16.840 ( 2.537 15.714 -1.002) 15.949 16.864 ( -3.877 -14.484 -1.174) 15.040 17.082 ( -3.201 1.728 -9.682) 10.343 17.439 ( 2.125 -1.206 2.201) 3.288 17.478 ( -3.774 -10.179 -2.805) 11.213 17.777 ( 13.242 -0.975 12.272) 18.080 17.938 ( 2.630 0.119 8.347) 8.753 18.080 ( 4.622 -3.944 10.309) 11.966 18.252 ( -1.613 4.344 4.809) 6.678 18.339 ( 3.861 0.763 7.600) 8.558 18.492 ( -8.739 2.325 11.537) 14.659 18.669 ( -11.375 10.250 -3.889) 15.798 18.798 ( -5.040 2.731 1.750) 5.994 19.037 ( 3.365 -3.026 3.975) 6.023 19.357 ( 19.315 2.580 0.202) 19.487 19.637 ( 6.269 -7.505 2.426) 10.075 19.923 ( 0.029 4.983 -6.725) 8.370 20.202 ( 1.144 2.586 -2.959) 4.093 20.252 ( -0.798 -1.632 -8.762) 8.948 20.400 ( 1.050 -11.936 -6.111) 13.451 20.785 ( -5.427 9.989 -7.593) 13.670 21.111 ( -7.849 -4.192 -3.840) 9.692 25.436 ( 2.923 0.118 2.957) 4.159 25.456 ( 3.485 -1.237 1.471) 3.980 25.740 ( -2.072 5.749 -4.481) 7.578 25.836 ( 2.029 5.959 -6.681) 9.179 25.881 ( -4.058 2.954 -3.831) 6.314 26.004 ( 2.270 2.149 -4.298) 5.315 26.325 ( -2.137 -8.948 -12.927) 15.867 26.393 ( 0.765 -8.796 -10.452) 13.682 27.340 ( 4.693 6.780 5.012) 9.650 27.647 ( 4.105 -5.367 1.400) 6.900 28.054 ( -6.624 -2.997 2.345) 7.639 28.232 ( -2.189 -8.902 -2.139) 9.414 29.372 ( -0.971 13.917 -2.393) 14.154 29.490 ( 2.878 11.830 -5.096) 13.198 29.973 ( -0.705 -3.926 6.630) 7.737 30.196 ( -2.070 -12.618 0.306) 12.790 ======================= Grid point 163 (59/96) ======================= q-point: ( 0.33 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.815 ( 18.797 21.680 29.189) 40.931 4.247 ( 12.599 22.177 27.712) 37.663 4.749 ( -6.488 9.803 12.741) 17.336 4.825 ( 3.494 -10.025 14.678) 18.115 4.962 ( -11.340 -1.265 15.217) 19.020 5.171 ( -0.943 -4.087 14.613) 15.203 5.479 ( -3.252 -3.095 17.596) 18.160 5.553 ( 6.926 -5.534 13.056) 15.782 5.621 ( -3.515 -13.524 3.810) 14.484 5.757 ( -10.339 5.825 12.043) 16.907 5.966 ( -6.999 -14.747 3.329) 16.660 6.139 ( -17.168 -9.507 0.087) 19.625 6.567 ( 8.966 1.672 3.828) 9.892 6.728 ( 11.116 -2.893 16.348) 19.980 7.100 ( -2.112 7.113 9.890) 12.364 7.265 ( -11.102 1.274 2.982) 11.566 7.422 ( 1.557 4.630 3.473) 5.994 7.440 ( 7.452 -3.783 4.221) 9.363 7.813 ( -11.521 10.281 -0.122) 15.442 8.017 ( 17.430 1.685 -3.317) 17.823 8.063 ( -7.965 -3.883 6.609) 11.055 8.204 ( 15.022 3.616 -1.985) 15.578 8.504 ( -1.427 9.909 -1.072) 10.069 8.799 ( 8.035 2.709 3.164) 9.050 8.833 ( 3.525 10.733 -4.016) 11.989 8.938 ( -0.573 11.326 -0.456) 11.350 9.027 ( -8.072 4.076 -5.231) 10.447 9.134 ( -9.312 15.178 -0.533) 17.815 9.276 ( 8.367 -2.293 -5.359) 10.197 9.437 ( 7.458 7.127 -10.017) 14.379 9.465 ( 4.130 1.347 -6.697) 7.983 9.713 ( 4.256 11.309 -12.168) 17.148 9.756 ( 12.640 1.860 -3.353) 13.209 9.869 ( 4.111 -2.524 -6.220) 7.871 9.963 ( 0.080 -1.357 2.851) 3.158 10.323 ( -5.088 0.769 -4.269) 6.686 10.545 ( -7.756 10.932 4.523) 14.146 10.579 ( 0.421 -15.951 -3.690) 16.378 10.696 ( 7.363 7.354 -1.189) 10.474 10.782 ( -5.704 -11.123 -4.666) 13.343 11.130 ( -14.264 -23.079 2.739) 27.269 11.143 ( -4.264 -6.969 -1.101) 8.244 11.211 ( 8.448 6.474 -2.043) 10.837 11.378 ( -12.235 -7.232 -1.003) 14.248 11.659 ( -1.015 -6.420 -8.323) 10.560 11.851 ( -1.652 -5.565 -9.682) 11.289 12.050 ( -3.602 -9.279 -14.723) 17.772 12.163 ( -3.863 -6.133 -21.974) 23.139 12.395 ( -0.496 1.453 -9.009) 9.139 12.502 ( -3.183 1.119 -2.686) 4.313 12.836 ( 4.801 -10.158 -9.341) 14.611 13.028 ( 4.234 -15.389 0.911) 15.986 13.270 ( 5.627 0.318 -5.308) 7.742 13.386 ( 10.772 -3.997 -10.680) 15.686 13.674 ( 6.570 4.337 -0.865) 7.920 13.725 ( -16.719 13.411 -7.117) 22.584 13.921 ( -8.917 3.971 -15.285) 18.136 14.081 ( -1.493 -2.746 -1.115) 3.319 14.481 ( 4.176 -8.555 -10.529) 14.195 14.699 ( -1.656 -14.598 -3.864) 15.191 14.764 ( 11.993 -13.377 3.277) 18.262 14.904 ( 14.093 -1.256 3.999) 14.703 15.135 ( -2.020 10.397 10.693) 15.050 15.404 ( 0.777 -0.353 8.739) 8.781 15.552 ( -13.870 13.779 7.603) 20.977 15.722 ( -6.944 2.545 11.568) 13.730 16.011 ( 0.021 -3.737 4.701) 6.006 16.176 ( 7.832 14.699 2.023) 16.778 16.378 ( -13.405 0.928 14.776) 19.972 16.618 ( -4.458 2.365 -1.055) 5.156 16.681 ( 3.893 0.222 1.488) 4.174 16.905 ( 4.399 16.708 -3.278) 17.586 17.089 ( 0.404 4.257 -8.378) 9.406 17.312 ( -13.035 -2.790 -3.266) 13.725 17.568 ( 10.605 -12.032 0.220) 16.040 17.934 ( 2.117 -7.106 16.554) 18.139 18.051 ( 4.938 -1.695 -5.087) 7.289 18.116 ( 1.523 -0.235 7.228) 7.391 18.183 ( -5.284 5.155 3.848) 8.325 18.317 ( -6.192 2.380 8.990) 11.173 18.403 ( 0.568 6.666 11.571) 13.366 18.610 ( 1.363 6.255 0.411) 6.415 18.733 ( 1.413 1.077 3.001) 3.488 19.035 ( -4.060 -2.102 3.164) 5.560 19.650 ( 10.788 1.774 -2.724) 11.267 19.768 ( 5.577 -3.016 1.371) 6.487 19.941 ( 3.030 -0.166 -7.802) 8.371 20.163 ( -4.971 -3.332 -8.009) 9.998 20.307 ( 6.845 1.696 -1.157) 7.146 20.470 ( 6.633 -5.703 -1.180) 8.826 20.648 ( -8.488 6.289 -1.516) 10.672 20.910 ( -12.816 -3.955 -0.532) 13.423 25.517 ( 5.095 0.759 -0.553) 5.181 25.538 ( 4.923 -0.189 -1.306) 5.097 25.697 ( -2.423 2.496 -2.067) 4.046 25.781 ( -5.207 0.222 -0.031) 5.212 25.907 ( 4.242 5.973 -12.152) 14.189 26.037 ( 0.529 3.400 -7.115) 7.904 26.283 ( -1.601 -7.911 -15.131) 17.149 26.372 ( -3.009 -7.497 -11.956) 14.429 27.464 ( 7.975 6.980 5.492) 11.937 27.713 ( 0.314 2.215 -0.128) 2.241 27.950 ( -1.635 -8.458 5.760) 10.363 28.153 ( -5.993 -11.341 -1.677) 12.937 29.389 ( 2.611 16.488 -0.910) 16.718 29.510 ( -1.105 15.550 -3.779) 16.041 29.980 ( 1.951 -9.011 5.415) 10.692 30.135 ( -4.261 -12.493 1.354) 13.269 ======================= Grid point 164 (60/96) ======================= q-point: (-0.50 0.33 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.238 ( -20.967 18.875 20.848) 35.079 4.238 ( 20.967 18.875 20.848) 35.079 4.633 ( -6.382 22.040 16.942) 28.522 4.633 ( 6.382 22.040 16.942) 28.522 5.092 ( -8.873 -15.337 13.367) 22.195 5.092 ( 8.873 -15.337 13.367) 22.195 5.505 ( -5.834 -8.562 10.861) 15.010 5.505 ( 5.834 -8.562 10.861) 15.010 5.685 ( -3.683 -8.710 11.397) 14.810 5.685 ( 3.683 -8.710 11.397) 14.810 5.888 ( -4.611 -8.911 3.837) 10.742 5.888 ( 4.611 -8.911 3.837) 10.742 6.840 ( -17.269 1.171 6.624) 18.533 6.840 ( 17.269 1.171 6.624) 18.533 7.000 ( -15.330 -5.973 10.597) 19.570 7.000 ( 15.330 -5.973 10.597) 19.570 7.570 ( -12.052 10.195 1.413) 15.849 7.570 ( 12.052 10.195 1.413) 15.849 7.763 ( -18.469 -0.814 8.662) 20.415 7.763 ( 18.469 -0.814 8.662) 20.415 8.320 ( -12.034 11.711 -2.862) 17.034 8.320 ( 12.034 11.711 -2.862) 17.034 8.628 ( -19.527 8.201 1.682) 21.246 8.628 ( 19.527 8.201 1.682) 21.246 8.910 ( -4.945 4.626 -4.887) 8.351 8.910 ( 4.945 4.626 -4.887) 8.351 8.999 ( -6.835 8.132 0.091) 10.624 8.999 ( 6.835 8.132 0.091) 10.624 9.410 ( -4.726 -2.731 -7.694) 9.434 9.410 ( 4.726 -2.731 -7.694) 9.434 9.637 ( -8.243 12.445 -14.707) 20.955 9.637 ( 8.243 12.445 -14.707) 20.955 9.910 ( -4.857 -1.236 -2.305) 5.516 9.910 ( 4.857 -1.236 -2.305) 5.516 10.256 ( -16.683 3.219 -7.090) 18.411 10.256 ( 16.683 3.219 -7.090) 18.411 10.433 ( -8.392 -2.980 6.735) 11.165 10.433 ( 8.392 -2.980 6.735) 11.165 10.683 ( -8.854 -9.594 -1.130) 13.104 10.683 ( 8.854 -9.594 -1.130) 13.104 11.037 ( -9.381 -11.353 -0.323) 14.730 11.037 ( 9.381 -11.353 -0.323) 14.730 11.334 ( -3.905 -5.719 6.020) 9.176 11.334 ( 3.905 -5.719 6.020) 9.176 11.722 ( -8.916 0.918 -12.616) 15.476 11.722 ( 8.916 0.918 -12.616) 15.476 12.067 ( -5.859 -7.254 -20.546) 22.562 12.067 ( 5.859 -7.254 -20.546) 22.562 12.451 ( -5.228 3.185 -10.633) 12.269 12.451 ( 5.228 3.185 -10.633) 12.269 12.986 ( -8.455 -17.175 -1.744) 19.222 12.986 ( 8.455 -17.175 -1.744) 19.222 13.406 ( -10.185 5.070 -4.884) 12.381 13.406 ( 10.185 5.070 -4.884) 12.381 13.639 ( -15.009 -1.910 -15.078) 21.361 13.639 ( 15.009 -1.910 -15.078) 21.361 13.931 ( -12.947 0.468 0.567) 12.968 13.931 ( 12.947 0.468 0.567) 12.968 14.593 ( -7.442 -4.174 -8.432) 11.996 14.593 ( 7.442 -4.174 -8.432) 11.996 15.013 ( -11.397 -2.084 4.338) 12.372 15.013 ( 11.397 -2.084 4.338) 12.372 15.221 ( -15.879 5.139 11.738) 20.404 15.221 ( 15.879 5.139 11.738) 20.404 15.541 ( -10.427 1.377 7.920) 13.166 15.541 ( 10.427 1.377 7.920) 13.166 16.107 ( -10.210 -11.566 5.623) 16.420 16.107 ( 10.210 -11.566 5.623) 16.420 16.402 ( -11.615 19.795 4.773) 23.443 16.402 ( 11.615 19.795 4.773) 23.443 16.945 ( -10.525 0.383 2.475) 10.819 16.945 ( 10.525 0.383 2.475) 10.819 17.064 ( -3.772 8.674 -8.448) 12.682 17.064 ( 3.772 8.674 -8.448) 12.682 17.814 ( -13.174 -13.774 3.991) 19.474 17.814 ( 13.174 -13.774 3.991) 19.474 18.100 ( -3.406 2.843 1.584) 4.711 18.100 ( 3.406 2.843 1.584) 4.711 18.193 ( -5.190 1.088 8.668) 10.161 18.193 ( 5.190 1.088 8.668) 10.161 18.515 ( -8.012 8.916 5.277) 13.097 18.515 ( 8.012 8.916 5.277) 13.097 18.892 ( -10.204 -2.194 3.108) 10.890 18.892 ( 10.204 -2.194 3.108) 10.890 19.780 ( -3.535 2.645 -3.359) 5.547 19.780 ( 3.535 2.645 -3.359) 5.547 20.049 ( -6.738 -4.913 -7.238) 11.042 20.049 ( 6.738 -4.913 -7.238) 11.042 20.470 ( -9.333 2.151 1.739) 9.734 20.470 ( 9.333 2.151 1.739) 9.734 20.661 ( -12.358 -2.958 0.961) 12.743 20.661 ( 12.358 -2.958 0.961) 12.743 25.594 ( -1.633 2.227 -3.055) 4.118 25.594 ( 1.633 2.227 -3.055) 4.118 25.686 ( -3.547 -1.215 0.211) 3.755 25.686 ( 3.547 -1.215 0.211) 3.755 25.997 ( -4.470 4.795 -11.373) 13.127 25.997 ( 4.470 4.795 -11.373) 13.127 26.301 ( -3.420 -7.391 -13.773) 16.001 26.301 ( 3.420 -7.391 -13.773) 16.001 27.621 ( -7.973 7.286 3.989) 11.514 27.621 ( 7.973 7.286 3.989) 11.514 28.023 ( -6.949 -12.555 1.504) 14.428 28.023 ( 6.949 -12.555 1.504) 14.428 29.456 ( -3.921 17.380 -1.595) 17.888 29.456 ( 3.921 17.380 -1.595) 17.888 30.046 ( -4.656 -11.849 3.163) 13.118 30.046 ( 4.656 -11.849 3.163) 13.118 ======================= Grid point 168 (61/96) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 0.000 -22.660 26.567) 34.918 4.008 ( 0.000 22.660 26.567) 34.918 4.344 ( 0.000 -23.777 35.226) 42.499 4.344 ( 0.000 23.777 35.226) 42.499 5.260 ( 0.000 -11.527 3.322) 11.996 5.260 ( 0.000 11.527 3.322) 11.996 5.449 ( 0.000 -7.739 24.990) 26.161 5.449 ( 0.000 7.739 24.990) 26.161 5.856 ( 0.000 -2.305 6.392) 6.795 5.856 ( 0.000 2.305 6.392) 6.795 6.446 ( 0.000 -4.384 3.906) 5.872 6.446 ( 0.000 4.384 3.906) 5.872 6.874 ( 0.000 -9.625 -0.591) 9.643 6.874 ( 0.000 9.625 -0.591) 9.643 6.966 ( 0.000 -4.012 4.353) 5.920 6.966 ( 0.000 4.012 4.353) 5.920 7.385 ( 0.000 -8.365 -11.009) 13.827 7.385 ( 0.000 8.365 -11.009) 13.827 7.739 ( 0.000 -10.520 10.672) 14.985 7.739 ( 0.000 10.520 10.672) 14.985 8.302 ( 0.000 -1.966 -3.140) 3.705 8.302 ( 0.000 1.966 -3.140) 3.705 8.379 ( 0.000 -4.611 2.361) 5.180 8.379 ( 0.000 4.611 2.361) 5.180 8.797 ( 0.000 -8.770 -0.273) 8.774 8.797 ( 0.000 8.770 -0.273) 8.774 9.108 ( 0.000 -9.052 3.955) 9.878 9.108 ( 0.000 9.052 3.955) 9.878 9.377 ( 0.000 -8.963 0.390) 8.972 9.377 ( 0.000 8.963 0.390) 8.972 9.720 ( 0.000 -15.932 -5.176) 16.751 9.720 ( 0.000 15.932 -5.176) 16.751 9.818 ( 0.000 -0.735 -8.922) 8.952 9.818 ( 0.000 0.735 -8.922) 8.952 10.210 ( 0.000 -22.667 -2.262) 22.780 10.210 ( 0.000 22.667 -2.262) 22.780 10.431 ( 0.000 -8.000 -7.040) 10.656 10.431 ( 0.000 8.000 -7.040) 10.656 10.657 ( 0.000 -11.608 -9.156) 14.785 10.657 ( 0.000 11.608 -9.156) 14.785 11.094 ( 0.000 -8.562 -2.143) 8.827 11.094 ( 0.000 8.562 -2.143) 8.827 11.395 ( 0.000 -4.082 -9.063) 9.940 11.395 ( 0.000 4.082 -9.063) 9.940 11.897 ( 0.000 -14.419 -13.141) 19.509 11.897 ( 0.000 14.419 -13.141) 19.509 12.146 ( 0.000 -12.633 3.434) 13.092 12.146 ( 0.000 12.633 3.434) 13.092 12.606 ( 0.000 -2.135 -7.902) 8.186 12.606 ( 0.000 2.135 -7.902) 8.186 12.719 ( 0.000 -8.961 -4.193) 9.894 12.719 ( 0.000 8.961 -4.193) 9.894 13.159 ( 0.000 -0.653 -6.247) 6.281 13.159 ( 0.000 0.653 -6.247) 6.281 13.772 ( 0.000 -11.482 1.773) 11.618 13.772 ( 0.000 11.482 1.773) 11.618 13.995 ( 0.000 -7.566 -6.781) 10.160 13.995 ( 0.000 7.566 -6.781) 10.160 14.366 ( 0.000 -3.352 -4.453) 5.574 14.366 ( 0.000 3.352 -4.453) 5.574 14.477 ( 0.000 -0.436 -6.181) 6.196 14.477 ( 0.000 0.436 -6.181) 6.196 15.460 ( 0.000 -3.497 15.682) 16.068 15.460 ( 0.000 3.497 15.682) 16.068 15.777 ( 0.000 -3.912 -2.886) 4.861 15.777 ( 0.000 3.912 -2.886) 4.861 16.312 ( 0.000 -8.497 -2.126) 8.759 16.312 ( 0.000 8.497 -2.126) 8.759 16.658 ( 0.000 -2.318 -5.461) 5.933 16.658 ( 0.000 2.318 -5.461) 5.933 16.915 ( 0.000 -1.230 13.249) 13.306 16.915 ( 0.000 1.230 13.249) 13.306 17.193 ( 0.000 -7.689 -0.478) 7.704 17.193 ( 0.000 7.689 -0.478) 7.704 17.573 ( 0.000 -2.432 10.432) 10.712 17.573 ( 0.000 2.432 10.432) 10.712 17.935 ( 0.000 -1.890 10.095) 10.270 17.935 ( 0.000 1.890 10.095) 10.270 18.305 ( 0.000 -0.425 4.151) 4.172 18.305 ( 0.000 0.425 4.151) 4.172 18.714 ( 0.000 -8.209 8.653) 11.928 18.714 ( 0.000 8.209 8.653) 11.928 18.990 ( 0.000 -0.896 -0.664) 1.115 18.990 ( 0.000 0.896 -0.664) 1.115 19.320 ( 0.000 -17.174 1.469) 17.237 19.320 ( 0.000 17.174 1.469) 17.237 20.109 ( 0.000 -12.677 -9.235) 15.684 20.109 ( 0.000 12.677 -9.235) 15.684 20.231 ( 0.000 -1.879 -4.613) 4.981 20.231 ( 0.000 1.879 -4.613) 4.981 21.054 ( 0.000 -9.261 -7.641) 12.006 21.054 ( 0.000 9.261 -7.641) 12.006 25.407 ( 0.000 -0.098 3.927) 3.928 25.407 ( 0.000 0.098 3.927) 3.928 25.892 ( 0.000 -2.188 -4.931) 5.395 25.892 ( 0.000 2.188 -4.931) 5.395 25.988 ( 0.000 -2.557 -9.848) 10.175 25.988 ( 0.000 2.557 -9.848) 10.175 26.220 ( 0.000 -1.659 -8.340) 8.503 26.220 ( 0.000 1.659 -8.340) 8.503 27.451 ( 0.000 -8.402 5.611) 10.103 27.451 ( 0.000 8.402 5.611) 10.103 28.139 ( 0.000 -3.559 -2.285) 4.229 28.139 ( 0.000 3.559 -2.285) 4.229 29.551 ( 0.000 -0.804 -3.229) 3.328 29.551 ( 0.000 0.804 -3.229) 3.328 30.010 ( 0.000 -6.148 3.556) 7.103 30.010 ( 0.000 6.148 3.556) 7.103 ======================= Grid point 170 (62/96) ======================= q-point: ( 0.17 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.079 ( 7.944 -27.265 24.226) 37.328 4.079 ( 7.944 27.265 24.226) 37.328 4.446 ( 9.938 -22.419 30.987) 39.517 4.446 ( 9.938 22.419 30.987) 39.517 5.274 ( 0.573 -11.736 4.945) 12.748 5.274 ( 0.573 11.736 4.945) 12.748 5.409 ( -4.159 -6.588 22.889) 24.179 5.409 ( -4.159 6.588 22.889) 24.179 5.825 ( -3.997 -7.659 7.314) 11.320 5.825 ( -3.997 7.659 7.314) 11.320 6.277 ( -17.889 -8.603 2.094) 19.960 6.277 ( -17.889 8.603 2.094) 19.960 6.626 ( -8.413 -5.132 1.080) 9.913 6.626 ( -8.413 5.132 1.080) 9.913 7.144 ( 9.955 -7.639 8.770) 15.309 7.144 ( 9.955 7.639 8.770) 15.309 7.529 ( -2.143 -5.227 1.493) 5.843 7.529 ( -2.143 5.227 1.493) 5.843 7.730 ( 11.720 -7.552 -3.233) 14.312 7.730 ( 11.720 7.552 -3.233) 14.312 8.207 ( -8.854 -6.915 -0.991) 11.278 8.207 ( -8.854 6.915 -0.991) 11.278 8.518 ( 12.045 -5.201 3.172) 13.498 8.518 ( 12.045 5.201 3.172) 13.498 8.873 ( 6.862 -10.277 2.429) 12.593 8.873 ( 6.862 10.277 2.429) 12.593 9.181 ( 5.639 -7.912 -1.073) 9.775 9.181 ( 5.639 7.912 -1.073) 9.775 9.384 ( 1.370 -7.181 -3.259) 8.004 9.384 ( 1.370 7.181 -3.259) 8.004 9.684 ( -3.082 -14.659 -4.861) 15.748 9.684 ( -3.082 14.659 -4.861) 15.748 9.776 ( -3.253 -2.855 -6.627) 7.916 9.776 ( -3.253 2.855 -6.627) 7.916 10.179 ( -3.479 -25.154 -4.225) 25.743 10.179 ( -3.479 25.154 -4.225) 25.743 10.538 ( 5.880 -6.547 -6.093) 10.703 10.538 ( 5.880 6.547 -6.093) 10.703 10.599 ( -0.611 -12.342 -7.897) 14.665 10.599 ( -0.611 12.342 -7.897) 14.665 11.117 ( 1.106 -10.659 1.109) 10.774 11.117 ( 1.106 10.659 1.109) 10.774 11.429 ( 0.227 -8.106 -8.744) 11.925 11.429 ( 0.227 8.106 -8.744) 11.925 11.785 ( -16.397 -5.680 -0.589) 17.363 11.785 ( -16.397 5.680 -0.589) 17.363 11.976 ( -1.274 -2.585 -11.194) 11.558 11.976 ( -1.274 2.585 -11.194) 11.558 12.640 ( -7.070 -9.759 -5.291) 13.161 12.640 ( -7.070 9.759 -5.291) 13.161 12.725 ( 3.677 -4.454 -7.292) 9.302 12.725 ( 3.677 4.454 -7.292) 9.302 13.189 ( 4.627 -1.606 -5.947) 7.704 13.189 ( 4.627 1.606 -5.947) 7.704 13.838 ( 6.047 -17.735 -6.986) 19.998 13.838 ( 6.047 17.735 -6.986) 19.998 14.088 ( 8.192 -12.554 -0.522) 14.999 14.088 ( 8.192 12.554 -0.522) 14.999 14.257 ( -9.050 -10.911 -6.108) 15.436 14.257 ( -9.050 10.911 -6.108) 15.436 14.582 ( 8.367 -3.170 -4.549) 10.038 14.582 ( 8.367 3.170 -4.549) 10.038 15.438 ( -2.575 -2.060 12.576) 13.001 15.438 ( -2.575 2.060 12.576) 13.001 15.766 ( -1.284 -4.129 3.030) 5.280 15.766 ( -1.284 4.129 3.030) 5.280 16.286 ( -2.159 -7.026 0.125) 7.352 16.286 ( -2.159 7.026 0.125) 7.352 16.551 ( -11.445 -12.435 3.221) 17.205 16.551 ( -11.445 12.435 3.221) 17.205 16.917 ( 4.438 -10.781 5.204) 12.767 16.917 ( 4.438 10.781 5.204) 12.767 17.153 ( -4.253 -8.838 -0.858) 9.845 17.153 ( -4.253 8.838 -0.858) 9.845 17.653 ( 5.223 -11.825 5.656) 14.110 17.653 ( 5.223 11.825 5.656) 14.110 17.991 ( 4.800 -4.200 8.184) 10.375 17.991 ( 4.800 4.200 8.184) 10.375 18.320 ( 0.946 -2.327 4.836) 5.449 18.320 ( 0.946 2.327 4.836) 5.449 18.590 ( -8.322 -7.814 8.286) 14.106 18.590 ( -8.322 7.814 8.286) 14.106 18.983 ( -1.981 -7.468 -0.337) 7.733 18.983 ( -1.981 7.468 -0.337) 7.734 19.466 ( 12.650 -8.222 2.231) 15.251 19.466 ( 12.650 8.222 2.231) 15.251 20.084 ( -2.403 -10.869 -9.730) 14.785 20.084 ( -2.403 10.869 -9.730) 14.785 20.265 ( 3.538 -3.000 -2.915) 5.479 20.265 ( 3.538 3.000 -2.915) 5.479 20.980 ( -7.471 -8.742 -4.856) 12.483 20.980 ( -7.471 8.742 -4.856) 12.483 25.441 ( 3.490 -0.425 2.162) 4.128 25.441 ( 3.490 0.425 2.162) 4.128 25.850 ( -4.153 -3.625 -2.850) 6.206 25.850 ( -4.153 3.625 -2.850) 6.206 25.994 ( 1.265 -5.328 -12.421) 13.574 25.994 ( 1.265 5.328 -12.421) 13.574 26.238 ( 0.825 -3.895 -9.548) 10.345 26.238 ( 0.825 3.895 -9.548) 10.345 27.499 ( 4.975 -8.575 5.655) 11.413 27.499 ( 4.975 8.575 5.655) 11.413 28.089 ( -5.024 -5.273 -1.555) 7.447 28.089 ( -5.024 5.273 -1.555) 7.447 29.580 ( 3.053 -4.776 -2.082) 6.039 29.580 ( 3.053 4.776 -2.082) 6.039 29.980 ( -3.114 -7.018 3.119) 8.287 29.980 ( -3.114 7.018 3.119) 8.287 ======================= Grid point 172 (63/96) ======================= q-point: ( 0.33 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.314 ( 16.546 -27.336 18.602) 36.974 4.314 ( 16.546 27.336 18.602) 36.974 4.666 ( 10.952 -17.932 21.155) 29.817 4.666 ( 10.952 17.932 21.155) 29.817 5.197 ( -9.734 -16.864 16.476) 25.507 5.197 ( -9.734 16.864 16.476) 25.507 5.314 ( -6.454 -11.844 7.815) 15.589 5.314 ( -6.454 11.844 7.815) 15.589 5.711 ( -5.140 -10.439 11.534) 16.384 5.711 ( -5.140 10.439 11.534) 16.384 5.927 ( -15.253 -10.180 5.353) 19.103 5.927 ( -15.253 10.180 5.353) 19.103 6.640 ( 8.619 -5.026 6.263) 11.780 6.640 ( 8.619 5.026 6.263) 11.780 7.217 ( -13.126 -4.878 11.157) 17.905 7.217 ( -13.126 4.878 11.157) 17.905 7.441 ( 9.943 -2.050 3.876) 10.867 7.441 ( 9.943 2.050 3.876) 10.867 7.967 ( -9.594 -5.456 6.964) 13.051 7.967 ( -9.594 5.456 6.964) 13.051 8.152 ( 20.177 -8.178 -11.890) 24.807 8.152 ( 20.177 8.178 -11.890) 24.807 8.727 ( 6.189 -10.951 -2.179) 12.767 8.727 ( 6.189 10.951 -2.179) 12.767 8.963 ( 1.344 -9.792 6.220) 11.678 8.963 ( 1.344 9.792 6.220) 11.678 9.219 ( -2.901 -10.440 -2.237) 11.064 9.219 ( -2.901 10.440 -2.237) 11.064 9.427 ( 3.275 -11.312 -7.673) 14.056 9.427 ( 3.275 11.312 -7.673) 14.056 9.613 ( -4.546 -15.634 -2.604) 16.488 9.613 ( -4.546 15.634 -2.604) 16.488 9.847 ( 13.689 -3.690 -6.625) 15.649 9.847 ( 13.689 3.690 -6.625) 15.649 10.112 ( -2.371 -21.263 -6.165) 22.265 10.112 ( -2.371 21.263 -6.165) 22.265 10.422 ( -7.415 -10.410 -7.873) 15.011 10.422 ( -7.415 10.410 -7.873) 15.011 10.827 ( 8.320 -2.969 -1.559) 8.970 10.827 ( 8.320 2.969 -1.559) 8.970 10.962 ( -15.647 -8.073 3.625) 17.976 10.962 ( -15.647 8.073 3.625) 17.976 11.293 ( -7.485 -4.380 4.155) 9.616 11.293 ( -7.485 4.380 4.155) 9.616 11.711 ( 6.744 -10.641 -11.153) 16.825 11.711 ( 6.744 10.641 -11.153) 16.825 12.002 ( -0.895 -7.100 -15.248) 16.843 12.002 ( -0.895 7.100 -15.248) 16.843 12.505 ( -1.355 -6.109 -3.065) 6.968 12.505 ( -1.355 6.109 -3.065) 6.968 12.748 ( -1.773 -7.499 -10.347) 12.901 12.748 ( -1.773 7.499 -10.347) 12.901 13.316 ( 8.174 -3.161 -7.628) 11.619 13.316 ( 8.174 3.161 -7.628) 11.619 13.834 ( -12.975 -10.250 -11.945) 20.398 13.834 ( -12.975 10.250 -11.945) 20.398 14.102 ( 2.680 -21.874 -7.339) 23.228 14.102 ( 2.680 21.874 -7.339) 23.228 14.260 ( 3.321 -20.131 0.198) 20.404 14.260 ( 3.321 20.131 0.198) 20.404 14.804 ( 16.511 -6.985 -1.334) 17.977 14.804 ( 16.511 6.985 -1.334) 17.977 15.363 ( -5.685 -7.308 10.054) 13.668 15.363 ( -5.685 7.308 10.054) 13.668 15.728 ( -1.822 -6.120 7.545) 9.884 15.728 ( -1.822 6.120 7.545) 9.884 16.090 ( -18.925 -15.754 11.063) 26.995 16.090 ( -18.925 15.754 11.063) 26.995 16.502 ( 9.655 -11.274 1.677) 14.938 16.502 ( 9.655 11.274 1.677) 14.938 16.985 ( -7.900 -17.280 3.728) 19.363 16.985 ( -7.900 17.280 3.728) 19.363 17.145 ( 12.347 -12.223 -4.014) 17.831 17.145 ( 12.347 12.223 -4.014) 17.831 17.658 ( -6.192 -18.691 1.515) 19.749 17.658 ( -6.192 18.691 1.515) 19.749 18.076 ( 4.204 -2.859 4.568) 6.835 18.076 ( 4.204 2.859 4.568) 6.835 18.273 ( -5.746 -4.220 7.092) 10.056 18.273 ( -5.746 4.220 7.092) 10.056 18.572 ( 6.937 -8.572 6.003) 12.555 18.572 ( 6.937 8.572 6.003) 12.555 18.904 ( -6.381 -11.440 0.304) 13.103 18.904 ( -6.381 11.440 0.304) 13.103 19.711 ( 12.096 -3.592 -0.128) 12.619 19.711 ( 12.096 3.592 -0.128) 12.619 20.020 ( -4.595 -8.155 -8.800) 12.848 20.020 ( -4.595 8.155 -8.800) 12.848 20.372 ( 8.038 -4.370 0.667) 9.173 20.372 ( 8.038 4.370 0.667) 9.173 20.793 ( -11.726 -7.321 0.557) 13.835 20.793 ( -11.726 7.321 0.557) 13.835 25.532 ( 5.811 -0.596 -0.761) 5.890 25.532 ( 5.811 0.596 -0.761) 5.890 25.756 ( -5.447 -2.620 -2.051) 6.383 25.756 ( -5.447 2.620 -2.051) 6.383 26.043 ( 3.855 -6.226 -14.068) 15.860 26.043 ( 3.855 6.226 -14.068) 15.860 26.218 ( -3.166 -5.596 -12.364) 13.936 26.218 ( -3.166 5.596 -12.364) 13.936 27.629 ( 8.384 -8.721 5.183) 13.161 27.629 ( 8.384 8.721 5.183) 13.161 27.963 ( -8.008 -7.403 0.672) 10.927 27.963 ( -8.008 7.403 0.672) 10.927 29.662 ( 5.469 -7.809 -0.059) 9.534 29.662 ( 5.469 7.809 -0.059) 9.534 29.896 ( -5.597 -8.406 2.242) 10.345 29.896 ( -5.597 8.406 2.242) 10.345 ======================= Grid point 174 (64/96) ======================= q-point: (-0.50 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.650 ( -14.877 -20.631 14.656) 29.356 4.650 ( 13.362 -20.370 14.656) 28.431 4.650 ( -13.362 20.370 14.656) 28.431 4.650 ( 14.877 20.631 14.656) 29.356 5.140 ( -8.149 -21.170 11.907) 25.619 5.140 ( 7.994 -21.155 11.907) 25.558 5.140 ( -7.994 21.155 11.907) 25.558 5.140 ( 8.149 21.170 11.907) 25.619 5.727 ( -5.780 -6.637 12.042) 14.915 5.727 ( 3.648 -6.247 12.042) 14.048 5.727 ( -3.648 6.247 12.042) 14.048 5.727 ( 5.780 6.637 12.042) 14.915 6.896 ( -16.965 -4.330 7.868) 19.195 6.896 ( -16.866 4.232 7.868) 19.086 6.896 ( 16.866 -4.232 7.868) 19.086 6.896 ( 16.965 4.330 7.868) 19.195 7.709 ( -15.045 -4.688 6.099) 16.897 7.709 ( -14.000 3.793 6.099) 15.735 7.709 ( 14.000 -3.793 6.099) 15.735 7.709 ( 15.045 4.688 6.099) 16.897 8.566 ( -18.995 -11.017 -8.468) 23.535 8.566 ( 1.243 -5.618 -8.468) 10.238 8.566 ( -1.243 5.618 -8.468) 10.238 8.566 ( 18.995 11.017 -8.468) 23.535 9.081 ( -9.575 -10.450 3.293) 14.551 9.081 ( 8.709 -10.259 3.293) 13.854 9.081 ( -8.709 10.259 3.293) 13.854 9.081 ( 9.575 10.450 3.293) 14.551 9.524 ( -5.281 -18.309 -3.304) 19.339 9.524 ( 5.251 -18.306 -3.304) 19.329 9.524 ( -5.251 18.306 -3.304) 19.329 9.524 ( 5.281 18.309 -3.304) 19.339 10.086 ( -3.918 -16.618 -11.778) 20.742 10.086 ( 3.779 -16.610 -11.778) 20.710 10.086 ( -3.779 16.610 -11.778) 20.710 10.086 ( 3.918 16.618 -11.778) 20.742 10.465 ( -18.225 -6.586 1.344) 19.425 10.465 ( -17.984 6.419 1.344) 19.143 10.465 ( 17.984 -6.419 1.344) 19.143 10.465 ( 18.225 6.586 1.344) 19.425 11.128 ( -10.383 -11.729 4.127) 16.199 11.128 ( 5.364 -10.854 4.127) 12.791 11.128 ( -5.364 10.854 4.127) 12.791 11.128 ( 10.383 11.729 4.127) 16.199 11.878 ( -9.373 -11.150 -14.190) 20.336 11.878 ( 8.129 -10.903 -14.190) 19.655 11.878 ( -8.129 10.903 -14.190) 19.655 11.878 ( 9.373 11.150 -14.190) 20.336 12.633 ( -7.512 -14.639 -7.278) 17.992 12.633 ( 3.136 -14.235 -7.278) 16.292 12.633 ( -3.136 14.235 -7.278) 16.292 12.633 ( 7.512 14.639 -7.278) 17.992 13.525 ( -14.554 -7.151 -9.231) 18.659 13.525 ( -3.688 -1.255 -9.231) 10.020 13.525 ( 3.688 1.255 -9.231) 10.020 13.525 ( 14.554 7.151 -9.231) 18.659 14.218 ( -6.219 -22.870 -7.354) 24.815 14.218 ( 6.219 -22.870 -7.354) 24.815 14.218 ( -6.219 22.870 -7.354) 24.815 14.218 ( 6.219 22.870 -7.354) 24.815 15.156 ( -16.873 -9.806 6.063) 20.435 15.156 ( 3.459 -5.289 6.063) 8.758 15.156 ( -3.459 5.289 6.063) 8.758 15.156 ( 16.873 9.806 6.063) 20.435 15.786 ( -8.009 -18.038 10.431) 22.323 15.786 ( 4.966 -17.762 10.431) 21.189 15.786 ( -4.966 17.762 10.431) 21.189 15.786 ( 8.009 18.038 10.431) 22.323 16.755 ( -14.276 -14.383 2.878) 20.468 16.755 ( 13.180 -14.119 2.878) 19.528 16.755 ( -13.180 14.119 2.878) 19.528 16.755 ( 14.276 14.383 2.878) 20.468 17.436 ( -14.036 -21.817 -1.505) 25.986 17.436 ( 9.978 -21.251 -1.505) 23.525 17.436 ( -9.978 21.251 -1.505) 23.525 17.436 ( 14.036 21.817 -1.505) 25.986 18.165 ( -5.245 -3.085 6.207) 8.692 18.165 ( 2.431 -2.029 6.207) 6.968 18.165 ( -2.431 2.029 6.207) 6.968 18.165 ( 5.245 3.085 6.207) 8.692 18.747 ( -9.493 -11.414 2.147) 15.000 18.747 ( 8.392 -11.196 2.147) 14.156 18.747 ( -8.392 11.196 2.147) 14.156 18.747 ( 9.493 11.414 2.147) 15.000 19.902 ( -6.843 -8.048 -5.228) 11.787 19.902 ( 2.168 -7.365 -5.228) 9.289 19.902 ( -2.168 7.365 -5.228) 9.289 19.902 ( 6.843 8.048 -5.228) 11.787 20.564 ( -11.612 -5.897 3.106) 13.388 20.564 ( -1.427 -1.254 3.106) 3.641 20.564 ( 1.427 1.254 3.106) 3.641 20.564 ( 11.612 5.897 3.106) 13.388 25.647 ( -5.388 -2.220 -1.956) 6.147 25.647 ( -3.671 -1.019 -1.956) 4.282 25.647 ( 3.671 1.019 -1.956) 4.282 25.647 ( 5.388 2.220 -1.956) 6.147 26.132 ( -4.389 -8.434 -14.229) 17.114 26.132 ( 2.789 -8.262 -14.229) 16.689 26.132 ( -2.789 8.262 -14.229) 16.689 26.132 ( 4.389 8.434 -14.229) 17.114 27.798 ( -8.343 -10.128 3.406) 13.556 27.798 ( 5.040 -9.566 3.406) 11.337 27.798 ( -5.040 9.566 3.406) 11.337 27.798 ( 8.343 10.128 3.406) 13.556 29.778 ( -4.608 -14.867 1.319) 15.620 29.778 ( 2.742 -14.751 1.319) 15.061 29.778 ( -2.742 14.751 1.319) 15.061 29.778 ( 4.608 14.867 1.319) 15.620 ======================= Grid point 196 (65/96) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.136 ( 0.000 0.000 37.390) 37.390 4.314 ( 0.000 0.000 47.161) 47.161 5.158 ( 0.000 0.000 23.072) 23.072 5.203 ( 0.000 0.000 -7.661) 7.661 5.575 ( 0.000 0.000 0.476) 0.476 5.610 ( 0.000 0.000 10.853) 10.853 5.635 ( 0.000 0.000 15.408) 15.408 5.770 ( 0.000 0.000 9.073) 9.073 5.834 ( 0.000 0.000 9.443) 9.443 5.976 ( 0.000 0.000 4.696) 4.696 6.349 ( 0.000 0.000 17.325) 17.325 6.607 ( 0.000 0.000 -4.069) 4.069 6.715 ( 0.000 0.000 -23.078) 23.078 6.919 ( 0.000 0.000 42.830) 42.830 6.943 ( 0.000 0.000 0.776) 0.776 7.183 ( 0.000 0.000 -9.573) 9.573 7.266 ( 0.000 0.000 -5.646) 5.646 7.382 ( 0.000 0.000 -21.005) 21.005 7.494 ( 0.000 0.000 -0.486) 0.486 7.795 ( 0.000 0.000 -0.521) 0.521 7.990 ( 0.000 0.000 3.355) 3.355 8.018 ( 0.000 0.000 1.811) 1.811 8.405 ( 0.000 0.000 -16.796) 16.796 8.423 ( 0.000 0.000 -2.295) 2.295 8.538 ( 0.000 0.000 1.682) 1.682 8.542 ( 0.000 0.000 5.825) 5.825 8.726 ( 0.000 0.000 -7.974) 7.974 8.823 ( 0.000 0.000 2.261) 2.261 9.026 ( 0.000 0.000 10.917) 10.917 9.050 ( 0.000 0.000 8.871) 8.871 9.377 ( 0.000 0.000 -15.044) 15.044 9.671 ( 0.000 0.000 8.475) 8.475 9.671 ( 0.000 0.000 -9.443) 9.443 9.860 ( 0.000 0.000 -1.530) 1.530 9.876 ( 0.000 0.000 9.496) 9.496 10.062 ( 0.000 0.000 10.559) 10.559 10.263 ( 0.000 0.000 -12.451) 12.451 10.497 ( 0.000 0.000 -1.484) 1.484 10.567 ( 0.000 0.000 12.142) 12.142 10.874 ( 0.000 0.000 -22.788) 22.788 10.899 ( 0.000 0.000 -6.176) 6.176 11.067 ( 0.000 0.000 -1.470) 1.470 11.296 ( 0.000 0.000 -21.351) 21.351 11.548 ( 0.000 0.000 -20.840) 20.840 12.052 ( 0.000 0.000 -7.728) 7.728 12.255 ( 0.000 0.000 -9.098) 9.098 12.306 ( 0.000 0.000 -30.367) 30.367 12.412 ( 0.000 0.000 -28.384) 28.384 12.519 ( 0.000 0.000 1.560) 1.560 12.652 ( 0.000 0.000 11.738) 11.738 12.798 ( 0.000 0.000 -6.724) 6.724 13.189 ( 0.000 0.000 6.633) 6.633 13.301 ( 0.000 0.000 24.792) 24.792 13.319 ( 0.000 0.000 10.704) 10.704 13.588 ( 0.000 0.000 9.465) 9.465 13.819 ( 0.000 0.000 -8.755) 8.755 13.965 ( 0.000 0.000 -15.097) 15.097 14.184 ( 0.000 0.000 -16.561) 16.561 14.227 ( 0.000 0.000 1.150) 1.150 14.598 ( 0.000 0.000 19.316) 19.316 14.755 ( 0.000 0.000 -16.096) 16.096 14.921 ( 0.000 0.000 14.554) 14.554 15.369 ( 0.000 0.000 11.560) 11.560 15.380 ( 0.000 0.000 17.997) 17.997 15.633 ( 0.000 0.000 8.733) 8.733 15.738 ( 0.000 0.000 -8.439) 8.439 15.971 ( 0.000 0.000 -3.198) 3.198 15.995 ( 0.000 0.000 -18.337) 18.337 16.262 ( 0.000 0.000 2.767) 2.767 16.267 ( 0.000 0.000 14.596) 14.596 16.958 ( 0.000 0.000 -9.098) 9.098 17.090 ( 0.000 0.000 15.883) 15.883 17.200 ( 0.000 0.000 -15.463) 15.463 17.396 ( 0.000 0.000 14.705) 14.705 17.582 ( 0.000 0.000 2.291) 2.291 17.825 ( 0.000 0.000 2.246) 2.246 18.018 ( 0.000 0.000 -6.054) 6.054 18.086 ( 0.000 0.000 -16.206) 16.206 18.276 ( 0.000 0.000 5.655) 5.655 18.487 ( 0.000 0.000 -4.191) 4.191 18.536 ( 0.000 0.000 18.426) 18.426 18.621 ( 0.000 0.000 25.082) 25.082 18.953 ( 0.000 0.000 2.807) 2.807 19.012 ( 0.000 0.000 11.390) 11.390 19.439 ( 0.000 0.000 -4.338) 4.338 19.639 ( 0.000 0.000 -4.821) 4.821 19.806 ( 0.000 0.000 0.512) 0.512 19.890 ( 0.000 0.000 -15.010) 15.010 20.051 ( 0.000 0.000 11.343) 11.343 20.351 ( 0.000 0.000 -15.773) 15.773 20.565 ( 0.000 0.000 -13.504) 13.504 21.061 ( 0.000 0.000 -10.777) 10.777 25.516 ( 0.000 0.000 4.855) 4.855 25.576 ( 0.000 0.000 4.065) 4.065 25.676 ( 0.000 0.000 2.687) 2.687 25.771 ( 0.000 0.000 4.053) 4.053 25.781 ( 0.000 0.000 4.004) 4.004 25.883 ( 0.000 0.000 -1.567) 1.567 26.360 ( 0.000 0.000 -7.314) 7.314 26.425 ( 0.000 0.000 -9.628) 9.628 27.224 ( 0.000 0.000 3.192) 3.192 27.586 ( 0.000 0.000 -7.752) 7.752 28.532 ( 0.000 0.000 -3.644) 3.644 28.591 ( 0.000 0.000 5.490) 5.490 28.799 ( 0.000 0.000 -12.346) 12.346 28.811 ( 0.000 0.000 0.108) 0.108 30.195 ( 0.000 0.000 6.519) 6.519 30.443 ( 0.000 0.000 -4.679) 4.679 ======================= Grid point 197 (66/96) ======================= q-point: ( 0.17 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( 2.450 0.000 34.165) 34.253 4.254 ( -3.611 0.000 47.140) 47.278 4.990 ( -16.971 0.000 -0.522) 16.979 5.191 ( -0.799 0.000 21.337) 21.352 5.580 ( -0.756 0.000 12.460) 12.482 5.644 ( 1.519 0.000 7.242) 7.400 5.672 ( -1.857 0.000 8.425) 8.627 5.715 ( 4.033 0.000 11.729) 12.403 5.961 ( 5.474 0.000 -0.249) 5.480 6.044 ( 6.764 0.000 6.251) 9.210 6.170 ( -20.896 0.000 -13.490) 24.872 6.382 ( 3.120 0.000 14.005) 14.348 6.810 ( -11.719 0.000 -16.856) 20.529 6.867 ( -2.597 0.000 8.401) 8.793 7.046 ( 13.446 0.000 31.856) 34.577 7.109 ( -10.846 0.000 -5.999) 12.395 7.223 ( 6.545 0.000 1.921) 6.821 7.465 ( 5.940 0.000 -9.020) 10.800 7.715 ( 15.418 0.000 -9.516) 18.118 7.824 ( -3.775 0.000 -2.198) 4.368 7.976 ( 8.059 0.000 2.194) 8.352 8.114 ( 8.231 0.000 4.449) 9.356 8.384 ( -2.499 0.000 -16.832) 17.016 8.510 ( -2.445 0.000 4.494) 5.116 8.565 ( 2.348 0.000 -0.279) 2.365 8.608 ( 13.237 0.000 0.620) 13.251 8.710 ( -0.562 0.000 -6.700) 6.724 8.796 ( -2.236 0.000 2.468) 3.330 9.094 ( 7.824 0.000 8.912) 11.859 9.155 ( 6.818 0.000 -1.504) 6.982 9.361 ( -2.098 0.000 -14.557) 14.708 9.405 ( -15.316 0.000 6.319) 16.568 9.730 ( 0.995 0.000 9.067) 9.122 9.844 ( 4.230 0.000 3.314) 5.374 9.885 ( -12.014 0.000 9.445) 15.282 10.082 ( 9.127 0.000 -2.268) 9.404 10.328 ( 9.405 0.000 -9.536) 13.394 10.433 ( -8.170 0.000 -7.290) 10.950 10.623 ( 3.488 0.000 2.169) 4.108 10.824 ( -1.873 0.000 -12.220) 12.362 11.028 ( 5.507 0.000 -3.041) 6.291 11.185 ( 8.307 0.000 -7.342) 11.087 11.337 ( 4.620 0.000 -22.420) 22.891 11.381 ( -5.693 0.000 -12.838) 14.044 11.992 ( -8.877 0.000 -6.453) 10.974 12.170 ( -8.843 0.000 -12.601) 15.394 12.329 ( -7.748 0.000 -1.191) 7.839 12.335 ( -11.223 0.000 -18.001) 21.213 12.355 ( -16.985 0.000 0.996) 17.014 12.531 ( 6.374 0.000 -14.995) 16.293 12.829 ( 4.350 0.000 -18.068) 18.584 13.278 ( -6.467 0.000 -7.370) 9.805 13.336 ( 6.376 0.000 14.887) 16.195 13.408 ( -16.195 0.000 -0.405) 16.200 13.534 ( 17.360 0.000 19.436) 26.061 13.713 ( 13.930 0.000 12.893) 18.981 13.986 ( -4.976 0.000 -9.085) 10.358 14.190 ( 2.184 0.000 -12.893) 13.077 14.452 ( -13.248 0.000 20.729) 24.600 14.525 ( 16.744 0.000 -0.105) 16.744 14.892 ( 11.593 0.000 -14.917) 18.893 14.911 ( 2.981 0.000 6.665) 7.302 15.288 ( -9.780 0.000 16.976) 19.592 15.518 ( 10.663 0.000 12.786) 16.649 15.613 ( -3.221 0.000 -1.689) 3.637 15.735 ( 1.570 0.000 -2.408) 2.875 15.795 ( -4.752 0.000 -7.760) 9.099 16.178 ( 1.906 0.000 -4.914) 5.271 16.187 ( -4.522 0.000 7.334) 8.615 16.380 ( 8.395 0.000 9.288) 12.520 16.722 ( -15.747 0.000 10.669) 19.021 16.784 ( -16.994 0.000 -14.745) 22.499 17.146 ( -5.113 0.000 -8.741) 10.127 17.291 ( -17.139 0.000 -2.420) 17.309 17.682 ( 9.272 0.000 2.505) 9.605 17.973 ( 15.623 0.000 8.238) 17.662 18.113 ( 2.270 0.000 -14.138) 14.319 18.167 ( -6.150 0.000 2.395) 6.600 18.260 ( 0.745 0.000 7.167) 7.206 18.355 ( 1.060 0.000 -0.056) 1.061 18.530 ( -0.526 0.000 17.986) 17.993 18.679 ( 6.884 0.000 19.735) 20.902 18.870 ( -10.682 0.000 14.370) 17.905 19.141 ( 11.979 0.000 4.374) 12.753 19.601 ( 9.260 0.000 -10.144) 13.735 19.692 ( 7.503 0.000 -6.033) 9.628 19.758 ( -3.123 0.000 -7.670) 8.281 19.928 ( 2.379 0.000 -9.700) 9.988 20.066 ( 2.581 0.000 13.665) 13.907 20.312 ( -2.407 0.000 -12.131) 12.367 20.568 ( -0.450 0.000 -14.090) 14.097 21.000 ( -6.429 0.000 -9.848) 11.761 25.494 ( -0.609 0.000 3.404) 3.458 25.611 ( 1.129 0.000 3.465) 3.644 25.656 ( -0.238 0.000 0.083) 0.252 25.772 ( 0.149 0.000 4.072) 4.075 25.781 ( 0.014 0.000 4.029) 4.029 25.901 ( 1.038 0.000 -1.610) 1.915 26.318 ( -3.809 0.000 -7.214) 8.158 26.412 ( -1.699 0.000 -8.653) 8.818 27.281 ( 5.658 0.000 3.287) 6.543 27.599 ( 0.947 0.000 -6.510) 6.578 28.546 ( 1.497 0.000 -4.234) 4.491 28.559 ( -2.531 0.000 6.470) 6.948 28.777 ( -2.208 0.000 -11.768) 11.973 28.778 ( -3.481 0.000 -0.229) 3.489 30.219 ( 2.432 0.000 5.826) 6.313 30.439 ( -0.605 0.000 -3.893) 3.939 ======================= Grid point 198 (67/96) ======================= q-point: ( 0.33 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.237 ( 6.287 0.000 25.968) 26.719 4.274 ( 7.164 0.000 43.180) 43.771 4.668 ( -16.103 0.000 7.408) 17.725 4.963 ( -21.964 0.000 27.494) 35.190 5.580 ( 2.061 0.000 11.287) 11.473 5.658 ( 1.367 0.000 5.637) 5.801 5.659 ( -0.629 0.000 6.094) 6.126 5.765 ( -0.257 0.000 13.213) 13.216 6.028 ( 4.262 0.000 -15.236) 15.821 6.039 ( 3.327 0.000 -0.160) 3.331 6.118 ( 0.312 0.000 2.293) 2.314 6.458 ( 5.998 0.000 10.514) 12.104 6.501 ( -17.359 0.000 -13.915) 22.247 6.849 ( -9.862 0.000 1.983) 10.060 7.031 ( 12.161 0.000 12.634) 17.535 7.298 ( 5.723 0.000 -5.465) 7.913 7.332 ( 8.213 0.000 18.899) 20.607 7.517 ( -2.755 0.000 -3.971) 4.833 7.792 ( 5.273 0.000 13.157) 14.174 7.956 ( 9.941 0.000 -9.801) 13.960 8.116 ( 6.489 0.000 1.950) 6.776 8.296 ( -6.990 0.000 -16.912) 18.300 8.323 ( 7.184 0.000 11.425) 13.496 8.389 ( -10.797 0.000 -0.565) 10.812 8.602 ( 1.975 0.000 -0.108) 1.978 8.704 ( -2.305 0.000 1.973) 3.034 8.781 ( 5.494 0.000 3.649) 6.595 8.840 ( 9.781 0.000 -9.082) 13.347 9.197 ( -7.239 0.000 8.682) 11.304 9.225 ( 4.831 0.000 -9.734) 10.867 9.271 ( -7.841 0.000 -12.672) 14.902 9.296 ( 9.555 0.000 2.305) 9.829 9.752 ( -0.701 0.000 9.638) 9.663 9.760 ( 0.237 0.000 1.166) 1.189 9.930 ( 2.511 0.000 6.711) 7.165 10.191 ( -16.443 0.000 -9.158) 18.822 10.270 ( 15.562 0.000 5.568) 16.528 10.611 ( 18.112 0.000 -8.585) 20.044 10.683 ( 3.305 0.000 -6.983) 7.725 10.867 ( 4.530 0.000 -2.600) 5.223 10.906 ( -9.985 0.000 -16.456) 19.248 11.280 ( 2.368 0.000 -0.932) 2.545 11.455 ( 3.601 0.000 -17.917) 18.275 11.566 ( 16.276 0.000 9.902) 19.051 11.707 ( -16.005 0.000 -7.820) 17.814 11.843 ( -20.412 0.000 -13.512) 24.479 11.987 ( -16.872 0.000 -13.221) 21.435 12.115 ( -12.993 0.000 4.807) 13.853 12.346 ( 6.228 0.000 -16.742) 17.863 12.646 ( 7.121 0.000 -10.857) 12.984 12.904 ( 0.122 0.000 -26.669) 26.670 12.911 ( -20.351 0.000 -14.384) 24.921 13.364 ( 1.664 0.000 -2.011) 2.611 13.508 ( 11.369 0.000 13.552) 17.690 13.686 ( -14.376 0.000 -9.355) 17.152 13.922 ( 22.210 0.000 17.522) 28.290 14.100 ( -16.648 0.000 19.577) 25.699 14.191 ( 25.155 0.000 16.348) 30.001 14.353 ( 7.454 0.000 -0.439) 7.467 14.740 ( 8.130 0.000 2.307) 8.451 14.974 ( -0.401 0.000 -1.812) 1.856 15.040 ( -13.732 0.000 8.178) 15.983 15.059 ( 1.069 0.000 -6.852) 6.935 15.407 ( -24.077 0.000 16.156) 28.995 15.589 ( 5.156 0.000 -17.173) 17.930 15.800 ( 4.183 0.000 2.716) 4.988 15.886 ( 11.888 0.000 -1.028) 11.932 16.090 ( -5.201 0.000 8.333) 9.823 16.194 ( 8.973 0.000 3.188) 9.522 16.388 ( -22.090 0.000 -16.839) 27.776 16.580 ( 11.473 0.000 5.811) 12.861 16.662 ( -0.630 0.000 0.610) 0.877 17.010 ( -9.267 0.000 -2.697) 9.652 17.033 ( -7.141 0.000 -10.964) 13.084 17.886 ( 11.292 0.000 1.774) 11.431 17.892 ( -11.177 0.000 6.403) 12.881 18.082 ( -6.619 0.000 -1.089) 6.708 18.139 ( -0.376 0.000 -9.456) 9.463 18.344 ( 8.830 0.000 11.337) 14.370 18.484 ( 4.401 0.000 2.640) 5.132 18.525 ( 0.285 0.000 17.122) 17.124 18.681 ( -8.762 0.000 17.409) 19.490 18.870 ( 12.489 0.000 16.437) 20.643 19.239 ( -2.523 0.000 11.378) 11.654 19.706 ( 4.502 0.000 -7.500) 8.747 19.753 ( 3.186 0.000 -11.765) 12.189 19.820 ( 1.586 0.000 -11.548) 11.656 19.928 ( -2.909 0.000 -9.445) 9.882 20.227 ( 14.982 0.000 9.283) 17.625 20.327 ( 4.462 0.000 -8.194) 9.330 20.530 ( -3.604 0.000 -12.558) 13.065 20.821 ( -12.335 0.000 -6.945) 14.155 25.514 ( 2.456 0.000 0.545) 2.516 25.594 ( -1.339 0.000 -0.119) 1.344 25.700 ( 3.709 0.000 -2.507) 4.477 25.776 ( 0.206 0.000 4.109) 4.114 25.781 ( -0.042 0.000 4.083) 4.083 25.888 ( -3.103 0.000 -4.354) 5.347 26.255 ( -1.547 0.000 -4.608) 4.861 26.356 ( -4.015 0.000 -6.288) 7.461 27.412 ( 7.384 0.000 2.696) 7.861 27.599 ( -1.473 0.000 -3.113) 3.444 28.534 ( 0.611 0.000 6.085) 6.116 28.587 ( 2.854 0.000 -5.841) 6.501 28.688 ( -5.590 0.000 0.479) 5.610 28.721 ( -3.566 0.000 -10.187) 10.793 30.280 ( 3.788 0.000 3.926) 5.455 30.412 ( -2.314 0.000 -1.707) 2.875 ======================= Grid point 199 (68/96) ======================= q-point: (-0.50 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -11.494 0.000 16.205) 19.868 4.404 ( 11.494 0.000 16.205) 19.868 4.537 ( -19.975 0.000 35.146) 40.426 4.537 ( 19.975 0.000 35.146) 40.426 5.629 ( -2.359 0.000 7.876) 8.221 5.629 ( 2.359 0.000 7.876) 8.221 5.715 ( -3.948 0.000 7.099) 8.123 5.715 ( 3.948 0.000 7.099) 8.123 6.092 ( -2.301 0.000 4.416) 4.980 6.092 ( 2.301 0.000 4.416) 4.980 6.207 ( -13.191 0.000 -13.514) 18.885 6.207 ( 13.191 0.000 -13.514) 18.885 6.629 ( -11.400 0.000 5.879) 12.826 6.629 ( 11.400 0.000 5.879) 12.826 7.331 ( -15.419 0.000 7.509) 17.150 7.331 ( 15.419 0.000 7.509) 17.150 7.368 ( -2.856 0.000 -1.179) 3.090 7.368 ( 2.856 0.000 -1.179) 3.090 8.063 ( -18.260 0.000 12.977) 22.401 8.063 ( 18.260 0.000 12.977) 22.401 8.134 ( -9.437 0.000 -14.181) 17.034 8.134 ( 9.437 0.000 -14.181) 17.034 8.280 ( -6.836 0.000 10.668) 12.670 8.280 ( 6.836 0.000 10.668) 12.670 8.651 ( -2.893 0.000 1.546) 3.281 8.651 ( 2.893 0.000 1.546) 3.281 8.984 ( -13.702 0.000 -2.100) 13.862 8.984 ( 13.702 0.000 -2.100) 13.862 9.074 ( -12.578 0.000 -12.224) 17.539 9.074 ( 12.578 0.000 -12.224) 17.539 9.352 ( -5.059 0.000 0.959) 5.149 9.352 ( 5.059 0.000 0.959) 5.149 9.832 ( -9.226 0.000 5.115) 10.549 9.832 ( 9.226 0.000 5.115) 10.549 9.892 ( -12.904 0.000 -6.723) 14.551 9.892 ( 12.904 0.000 -6.723) 14.551 10.657 ( -18.954 0.000 10.065) 21.461 10.657 ( 18.954 0.000 10.065) 21.461 10.762 ( -5.484 0.000 -12.082) 13.269 10.762 ( 5.484 0.000 -12.082) 13.269 11.086 ( -23.493 0.000 -1.900) 23.570 11.086 ( 23.493 0.000 -1.900) 23.570 11.523 ( -14.184 0.000 -10.062) 17.391 11.523 ( 14.184 0.000 -10.062) 17.391 11.720 ( -9.741 0.000 -21.415) 23.527 11.720 ( 9.741 0.000 -21.415) 23.527 11.857 ( -14.345 0.000 8.459) 16.653 11.857 ( 14.345 0.000 8.459) 16.653 12.559 ( -15.972 0.000 -17.206) 23.477 12.559 ( 15.972 0.000 -17.206) 23.477 12.810 ( -8.685 0.000 -18.408) 20.354 12.810 ( 8.685 0.000 -18.408) 20.354 13.455 ( -8.541 0.000 -6.122) 10.509 13.455 ( 8.541 0.000 -6.122) 10.509 13.766 ( -16.038 0.000 16.420) 22.952 13.766 ( 16.038 0.000 16.420) 22.952 14.323 ( -15.315 0.000 16.138) 22.248 14.323 ( 15.315 0.000 16.138) 22.248 14.686 ( -22.088 0.000 0.651) 22.097 14.686 ( 22.088 0.000 0.651) 22.097 14.948 ( -6.774 0.000 -7.016) 9.753 14.948 ( 6.774 0.000 -7.016) 9.753 14.993 ( -10.709 0.000 17.823) 20.793 14.993 ( 10.709 0.000 17.823) 20.793 15.798 ( -9.475 0.000 -9.825) 13.650 15.798 ( 9.475 0.000 -9.825) 13.650 16.058 ( -6.973 0.000 -2.483) 7.402 16.058 ( 6.973 0.000 -2.483) 7.402 16.153 ( -13.595 0.000 -3.781) 14.111 16.153 ( 13.595 0.000 -3.781) 14.111 16.807 ( -11.835 0.000 1.899) 11.987 16.807 ( 11.835 0.000 1.899) 11.987 16.828 ( -16.442 0.000 -0.460) 16.449 16.828 ( 16.442 0.000 -0.460) 16.449 17.894 ( -9.575 0.000 -0.806) 9.609 17.894 ( 9.575 0.000 -0.806) 9.609 18.070 ( -7.209 0.000 -3.035) 7.822 18.070 ( 7.209 0.000 -3.035) 7.822 18.479 ( -4.412 0.000 6.158) 7.575 18.479 ( 4.412 0.000 6.158) 7.575 18.559 ( -3.870 0.000 17.493) 17.916 18.559 ( 3.870 0.000 17.493) 17.916 19.100 ( -10.721 0.000 14.730) 18.219 19.100 ( 10.721 0.000 14.730) 18.219 19.787 ( -3.734 0.000 -7.753) 8.605 19.787 ( 3.734 0.000 -7.753) 8.605 19.843 ( -5.323 0.000 -9.781) 11.136 19.843 ( 5.323 0.000 -9.781) 11.136 20.437 ( -5.980 0.000 -9.509) 11.233 20.437 ( 5.980 0.000 -9.509) 11.233 20.543 ( -16.621 0.000 -1.359) 16.676 20.543 ( 16.621 0.000 -1.359) 16.676 25.564 ( -2.231 0.000 -1.021) 2.454 25.564 ( 2.231 0.000 -1.021) 2.454 25.779 ( -0.148 0.000 4.118) 4.121 25.779 ( 0.148 0.000 4.118) 4.121 25.792 ( -5.875 0.000 -5.657) 8.156 25.792 ( 5.875 0.000 -5.657) 8.156 26.279 ( -3.466 0.000 -3.607) 5.002 26.279 ( 3.466 0.000 -3.607) 5.002 27.535 ( -5.220 0.000 0.570) 5.251 27.535 ( 5.220 0.000 0.570) 5.251 28.587 ( -4.616 0.000 3.118) 5.571 28.587 ( 4.616 0.000 3.118) 5.571 28.651 ( -3.707 0.000 -8.021) 8.836 28.651 ( 3.707 0.000 -8.021) 8.836 30.353 ( -3.744 0.000 1.200) 3.932 30.353 ( 3.744 0.000 1.200) 3.932 ======================= Grid point 203 (69/96) ======================= q-point: ( 0.00 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.201 ( 0.000 5.727 37.411) 37.847 4.399 ( 0.000 8.303 45.288) 46.043 5.083 ( 0.000 -3.155 14.647) 14.983 5.225 ( 0.000 -4.454 -2.139) 4.941 5.293 ( 0.000 -11.318 1.468) 11.413 5.559 ( 0.000 -5.857 14.107) 15.275 5.666 ( 0.000 2.956 17.277) 17.528 5.952 ( 0.000 -0.675 5.098) 5.142 5.957 ( 0.000 14.371 12.589) 19.105 6.138 ( 0.000 17.074 6.947) 18.433 6.292 ( 0.000 -5.246 19.488) 20.182 6.594 ( 0.000 -13.776 -4.004) 14.346 6.598 ( 0.000 -0.195 -6.894) 6.897 6.829 ( 0.000 0.358 -12.894) 12.899 7.058 ( 0.000 6.122 31.618) 32.206 7.115 ( 0.000 -5.821 -4.074) 7.104 7.297 ( 0.000 2.272 -2.396) 3.302 7.327 ( 0.000 -5.536 -11.352) 12.630 7.506 ( 0.000 3.345 -6.498) 7.308 7.885 ( 0.000 6.700 -2.326) 7.092 8.026 ( 0.000 2.983 -4.405) 5.320 8.244 ( 0.000 18.495 -3.629) 18.847 8.385 ( 0.000 -2.765 -3.114) 4.164 8.455 ( 0.000 2.846 -17.375) 17.606 8.505 ( 0.000 -2.369 8.390) 8.718 8.566 ( 0.000 4.205 5.701) 7.085 8.716 ( 0.000 1.881 -0.708) 2.010 8.933 ( 0.000 12.132 -2.025) 12.300 8.989 ( 0.000 -0.774 5.685) 5.737 9.038 ( 0.000 -2.028 6.627) 6.931 9.532 ( 0.000 10.643 -12.066) 16.089 9.662 ( 0.000 -1.402 -9.977) 10.075 9.687 ( 0.000 -0.009 6.353) 6.353 9.843 ( 0.000 -2.459 9.748) 10.053 9.934 ( 0.000 10.293 -2.126) 10.510 10.121 ( 0.000 0.373 8.274) 8.282 10.372 ( 0.000 12.910 -6.322) 14.375 10.508 ( 0.000 -0.163 7.399) 7.401 10.669 ( 0.000 7.629 3.161) 8.258 10.779 ( 0.000 -4.896 -12.218) 13.163 10.908 ( 0.000 -2.697 -16.140) 16.363 10.999 ( 0.000 -10.223 -9.536) 13.980 11.182 ( 0.000 -1.022 -11.176) 11.223 11.628 ( 0.000 -0.507 -20.527) 20.533 11.926 ( 0.000 -12.078 -8.471) 14.753 12.096 ( 0.000 -17.495 -16.926) 24.342 12.268 ( 0.000 2.431 -8.469) 8.811 12.319 ( 0.000 -6.985 -18.160) 19.457 12.594 ( 0.000 -14.767 -6.400) 16.095 12.622 ( 0.000 2.511 -3.861) 4.606 12.751 ( 0.000 9.693 -2.928) 10.126 12.886 ( 0.000 -19.303 0.969) 19.327 13.140 ( 0.000 -13.973 18.045) 22.822 13.298 ( 0.000 -8.689 17.445) 19.489 13.555 ( 0.000 -11.399 -2.645) 11.702 13.709 ( 0.000 10.103 2.667) 10.449 13.932 ( 0.000 -3.547 -13.606) 14.060 14.189 ( 0.000 -8.249 -4.909) 9.599 14.296 ( 0.000 5.648 0.182) 5.651 14.661 ( 0.000 -7.579 1.029) 7.649 14.804 ( 0.000 15.704 -2.032) 15.835 14.963 ( 0.000 -3.166 2.787) 4.218 15.183 ( 0.000 -13.104 5.936) 14.385 15.292 ( 0.000 -1.318 -3.739) 3.964 15.644 ( 0.000 2.103 14.337) 14.490 15.754 ( 0.000 6.395 11.874) 13.487 16.216 ( 0.000 7.695 3.855) 8.607 16.261 ( 0.000 3.995 2.230) 4.575 16.324 ( 0.000 15.657 3.119) 15.965 16.383 ( 0.000 25.709 -3.960) 26.012 16.907 ( 0.000 -6.704 -7.132) 9.788 16.931 ( 0.000 -8.075 1.184) 8.161 17.105 ( 0.000 -16.048 0.221) 16.050 17.338 ( 0.000 3.765 -13.187) 13.714 17.726 ( 0.000 -6.684 3.169) 7.397 17.753 ( 0.000 7.292 11.982) 14.026 18.027 ( 0.000 1.539 -1.514) 2.159 18.241 ( 0.000 9.553 -2.386) 9.846 18.307 ( 0.000 2.820 4.893) 5.647 18.445 ( 0.000 -0.528 9.488) 9.503 18.583 ( 0.000 5.293 8.473) 9.990 18.671 ( 0.000 4.342 16.142) 16.715 18.963 ( 0.000 1.355 4.031) 4.252 19.024 ( 0.000 1.067 9.721) 9.779 19.366 ( 0.000 -9.847 0.944) 9.892 19.557 ( 0.000 -2.227 -7.136) 7.476 19.918 ( 0.000 3.656 2.518) 4.439 19.938 ( 0.000 4.240 -13.477) 14.128 20.085 ( 0.000 4.204 1.807) 4.576 20.391 ( 0.000 5.540 -13.520) 14.611 20.456 ( 0.000 -10.083 -11.660) 15.415 21.060 ( 0.000 -0.786 -11.709) 11.736 25.510 ( 0.000 -0.620 4.782) 4.822 25.581 ( 0.000 -4.281 6.221) 7.552 25.603 ( 0.000 1.438 0.854) 1.673 25.723 ( 0.000 -3.051 1.392) 3.354 25.863 ( 0.000 4.316 0.655) 4.365 25.904 ( 0.000 1.049 -1.680) 1.981 26.328 ( 0.000 -3.803 -7.950) 8.813 26.336 ( 0.000 -8.183 -9.968) 12.896 27.268 ( 0.000 4.650 4.482) 6.458 27.597 ( 0.000 1.102 -5.829) 5.932 28.328 ( 0.000 -12.306 0.194) 12.308 28.406 ( 0.000 -11.268 -0.661) 11.288 29.026 ( 0.000 15.304 -5.628) 16.306 29.065 ( 0.000 16.921 -2.942) 17.174 30.164 ( 0.000 -2.968 5.846) 6.556 30.371 ( 0.000 -6.910 -3.654) 7.817 ======================= Grid point 204 (70/96) ======================= q-point: ( 0.17 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.183 ( -0.656 3.572 38.635) 38.805 4.391 ( 0.223 12.009 38.439) 40.272 4.973 ( -10.793 0.068 5.100) 11.937 5.233 ( 0.401 -0.758 9.946) 9.983 5.357 ( 6.254 -13.677 5.728) 16.093 5.610 ( -4.320 1.003 15.997) 16.600 5.676 ( 5.229 -4.312 12.665) 14.364 5.800 ( -6.210 7.033 8.988) 12.993 5.998 ( -14.529 2.669 0.725) 14.789 6.044 ( -0.748 -0.220 8.931) 8.965 6.294 ( 1.590 6.002 2.928) 6.865 6.437 ( 1.559 6.402 2.570) 7.072 6.529 ( -8.179 -16.286 0.200) 18.226 6.928 ( -7.498 -5.961 0.486) 9.591 7.018 ( 6.719 2.622 -0.733) 7.250 7.220 ( 3.483 5.741 7.392) 9.987 7.250 ( 8.448 5.646 10.682) 14.743 7.492 ( 0.560 0.983 -5.645) 5.757 7.642 ( 16.811 -3.162 -9.102) 19.376 7.879 ( -2.612 3.805 -2.226) 5.125 8.011 ( 6.139 1.633 3.985) 7.499 8.269 ( -1.608 11.764 -3.906) 12.499 8.317 ( -2.633 -3.864 -12.106) 12.977 8.455 ( -1.836 0.680 1.652) 2.562 8.660 ( 5.235 9.381 7.362) 13.024 8.686 ( 15.295 3.582 -7.877) 17.573 8.746 ( 3.822 4.507 -2.401) 6.378 8.903 ( -1.171 10.680 -0.011) 10.744 9.014 ( 6.900 -4.350 4.648) 9.388 9.178 ( 8.146 0.464 -1.348) 8.269 9.420 ( -15.109 1.809 1.134) 15.260 9.513 ( -4.648 10.068 -9.689) 14.726 9.700 ( 0.872 -1.752 4.652) 5.047 9.751 ( -5.987 -4.156 5.439) 9.093 10.034 ( -1.810 8.927 6.753) 11.339 10.151 ( 9.429 4.520 -1.315) 10.539 10.378 ( 4.239 5.043 -6.772) 9.448 10.487 ( -5.768 5.394 -5.396) 9.565 10.687 ( 1.722 5.113 -1.809) 5.690 10.782 ( 0.347 -3.805 -5.738) 6.893 10.965 ( 1.942 -5.713 -7.570) 9.681 11.099 ( 10.286 -9.269 -13.709) 19.484 11.232 ( 6.579 0.323 -3.587) 7.500 11.521 ( -5.262 2.884 -21.282) 22.112 11.906 ( -5.630 -11.046 -4.096) 13.057 12.056 ( -3.809 -18.152 -9.455) 20.819 12.155 ( -12.253 -1.645 -10.947) 16.513 12.230 ( -12.222 -6.395 -8.442) 16.172 12.396 ( -16.059 -4.867 2.139) 16.916 12.605 ( -0.801 5.345 -8.690) 10.234 12.795 ( 9.918 -4.317 -18.848) 21.731 12.871 ( 0.282 -19.040 -2.203) 19.169 13.141 ( -10.754 -17.258 -2.187) 20.452 13.407 ( 9.059 -3.897 13.763) 16.932 13.593 ( 0.628 -5.342 3.300) 6.311 13.747 ( 16.123 7.965 10.277) 20.712 13.847 ( -3.218 -4.303 -6.622) 8.528 14.142 ( -7.710 -8.456 3.228) 11.889 14.531 ( 7.870 -5.205 -0.551) 9.452 14.646 ( 2.562 -2.284 -4.018) 5.284 14.736 ( 1.366 18.062 -2.302) 18.259 15.084 ( 6.414 -11.351 4.789) 13.890 15.219 ( 2.970 -8.364 5.778) 10.591 15.347 ( 7.474 3.391 -7.095) 10.849 15.612 ( -4.139 3.952 11.087) 12.476 15.764 ( 0.832 4.399 9.872) 10.840 16.059 ( -12.412 10.217 0.813) 16.097 16.215 ( -2.603 4.798 6.507) 8.493 16.384 ( -0.496 22.951 6.251) 23.793 16.470 ( 6.602 6.749 1.659) 9.586 16.732 ( -6.532 0.754 4.139) 7.770 16.798 ( -14.768 1.289 -14.639) 20.834 17.077 ( -4.622 -11.774 -4.171) 13.319 17.214 ( -9.759 -0.279 -9.748) 13.797 17.666 ( 2.751 -2.977 2.505) 4.765 17.907 ( 5.013 -4.435 -1.978) 6.980 18.124 ( 9.961 2.004 5.440) 11.525 18.262 ( -3.286 1.673 5.010) 6.221 18.339 ( -10.215 7.200 2.892) 12.828 18.453 ( 13.676 10.875 0.878) 17.495 18.532 ( -2.980 1.624 17.809) 18.129 18.667 ( 2.637 -0.480 14.858) 15.098 18.816 ( -7.841 -2.181 14.207) 16.373 19.212 ( 7.228 3.706 4.150) 9.121 19.432 ( 6.635 -13.363 -2.957) 15.209 19.630 ( 7.490 0.955 -8.544) 11.402 19.865 ( -4.385 -2.157 -8.206) 9.551 19.993 ( 3.990 7.884 -7.211) 11.405 20.118 ( 3.747 3.620 6.009) 7.953 20.348 ( -1.438 3.957 -9.907) 10.765 20.490 ( 1.363 -5.570 -12.209) 13.488 21.005 ( -5.808 -0.226 -10.522) 12.020 25.489 ( -0.838 -0.504 2.802) 2.967 25.570 ( -0.893 -3.885 4.183) 5.779 25.642 ( 2.979 0.964 0.595) 3.187 25.726 ( 0.310 -3.017 1.716) 3.485 25.830 ( -2.134 2.631 0.882) 3.500 25.923 ( 0.592 1.393 -2.111) 2.598 26.270 ( -4.181 -6.101 -8.779) 11.479 26.341 ( -1.176 -5.852 -9.136) 10.913 27.324 ( 5.502 4.487 4.622) 8.472 27.616 ( 1.533 1.711 -4.904) 5.416 28.297 ( -2.401 -12.455 2.149) 12.865 28.401 ( -1.004 -12.144 -2.017) 12.351 28.994 ( -1.883 17.487 -2.940) 17.832 29.079 ( 0.170 17.430 -4.990) 18.131 30.179 ( 1.528 -3.944 5.288) 6.771 30.365 ( -0.775 -7.153 -3.095) 7.832 ======================= Grid point 205 (71/96) ======================= q-point: ( 0.33 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.241 ( 7.975 3.403 34.013) 35.101 4.428 ( 3.630 12.250 27.803) 30.598 4.754 ( -11.080 7.498 7.931) 15.553 5.047 ( -21.836 7.737 23.787) 33.204 5.457 ( 3.554 -14.493 5.774) 16.000 5.514 ( 0.958 -5.006 8.294) 9.735 5.728 ( 1.064 1.516 8.286) 8.491 5.801 ( -3.734 -1.421 1.051) 4.131 5.835 ( 6.430 -3.397 7.497) 10.445 6.073 ( 1.377 -1.707 10.907) 11.125 6.203 ( -9.309 -0.035 -4.539) 10.357 6.301 ( -12.980 -11.689 -1.015) 17.497 6.571 ( 9.747 7.741 5.152) 13.471 6.946 ( -2.175 -0.711 -0.958) 2.481 7.080 ( 9.949 9.145 5.172) 14.470 7.305 ( 0.992 1.980 3.349) 4.016 7.354 ( 5.165 2.842 8.550) 10.385 7.553 ( 3.267 -0.039 -0.547) 3.312 7.710 ( -2.647 -1.180 5.215) 5.966 8.008 ( 8.813 2.340 -2.164) 9.371 8.162 ( -4.137 -3.190 -7.942) 9.506 8.195 ( 7.888 -0.832 5.708) 9.772 8.316 ( 0.692 4.993 3.333) 6.043 8.485 ( 6.266 4.744 -8.649) 11.687 8.650 ( -6.248 7.320 -1.428) 9.729 8.807 ( 3.423 9.765 1.943) 10.529 8.845 ( 5.257 6.781 0.452) 8.592 9.009 ( -0.797 9.148 0.051) 9.183 9.152 ( 4.240 -3.483 1.228) 5.623 9.220 ( 1.852 1.288 -5.785) 6.209 9.232 ( -3.463 0.466 -7.484) 8.260 9.455 ( -0.173 9.935 -4.013) 10.716 9.656 ( -0.479 -4.015 3.623) 5.429 9.802 ( 8.606 -0.105 0.836) 8.647 9.978 ( -4.286 3.020 3.278) 6.183 10.239 ( -14.408 3.724 -8.944) 17.362 10.359 ( 13.064 7.902 5.867) 16.357 10.552 ( 7.716 -0.763 -3.587) 8.543 10.771 ( 3.779 -0.349 -7.959) 8.817 10.823 ( 0.924 -1.072 -7.980) 8.104 10.922 ( 3.600 3.622 -6.675) 8.405 11.263 ( 2.444 -1.851 -5.124) 5.971 11.436 ( 12.556 -2.966 0.531) 12.912 11.518 ( 1.142 -7.717 -4.988) 9.259 11.684 ( -11.551 -3.344 -7.740) 14.300 11.784 ( -21.217 -3.906 -10.012) 23.783 11.922 ( -15.746 -6.770 -7.575) 18.739 11.972 ( -7.131 -13.125 -1.735) 15.037 12.289 ( 1.823 -5.093 -7.890) 9.566 12.564 ( -4.923 -8.947 -7.170) 12.478 12.852 ( -3.005 0.661 -24.452) 24.645 12.914 ( 2.549 -12.118 -12.208) 17.390 13.023 ( 2.166 -4.315 -7.399) 8.835 13.402 ( -10.631 -9.700 -11.717) 18.558 13.713 ( 4.372 -3.439 14.130) 15.186 13.858 ( 13.024 -9.492 6.387) 17.335 13.994 ( -5.033 -17.744 5.243) 19.174 14.149 ( 20.534 2.647 16.583) 26.526 14.499 ( -7.438 2.383 -1.751) 8.004 14.587 ( -2.086 2.920 3.176) 4.792 15.013 ( 14.912 8.051 -6.733) 18.235 15.135 ( -0.229 0.490 7.150) 7.170 15.177 ( -9.238 -7.956 10.860) 16.328 15.492 ( -5.869 2.984 2.450) 7.025 15.568 ( 10.993 7.454 -10.620) 17.006 15.712 ( -1.625 2.310 6.096) 6.719 15.916 ( -5.898 -4.450 6.246) 9.675 16.146 ( 1.023 16.904 7.599) 18.561 16.340 ( -10.475 10.781 -3.836) 15.513 16.462 ( -11.879 5.382 -7.222) 14.908 16.609 ( 2.695 3.365 1.425) 4.541 16.707 ( 8.915 3.894 4.880) 10.884 16.986 ( -9.660 -3.671 -4.467) 11.258 17.116 ( 1.300 5.336 -11.240) 12.510 17.731 ( 2.830 -7.123 2.066) 7.938 17.977 ( 1.607 -5.325 -6.185) 8.318 18.092 ( -5.697 10.129 4.086) 12.319 18.192 ( -6.454 3.987 -0.460) 7.600 18.339 ( 8.579 -3.025 7.978) 12.100 18.498 ( -0.557 -1.164 19.321) 19.364 18.580 ( -0.627 6.078 1.410) 6.271 18.667 ( -7.562 0.373 16.758) 18.389 18.842 ( 13.790 -2.031 14.851) 20.368 19.225 ( -4.406 -2.745 8.702) 10.133 19.582 ( 7.623 -5.492 -7.182) 11.826 19.775 ( -0.037 -0.606 -7.560) 7.584 19.796 ( 3.682 -1.726 -10.375) 11.144 19.994 ( -3.327 2.710 -10.062) 10.939 20.276 ( 11.402 3.357 5.181) 12.967 20.388 ( 5.798 6.643 -5.178) 10.225 20.488 ( -1.350 -2.814 -9.745) 10.233 20.844 ( -11.038 1.413 -7.170) 13.238 25.501 ( 2.014 -1.086 -0.179) 2.295 25.558 ( -0.332 -2.549 0.577) 2.634 25.698 ( 3.051 -0.608 -1.476) 3.443 25.737 ( 1.068 -2.235 1.701) 3.005 25.794 ( -1.791 0.631 2.190) 2.899 25.897 ( -3.786 0.760 -5.050) 6.357 26.205 ( -1.637 -6.269 -7.206) 9.690 26.292 ( -3.687 -5.670 -8.331) 10.731 27.452 ( 7.288 4.262 4.052) 9.365 27.629 ( -0.821 3.139 -1.999) 3.811 28.270 ( 0.104 -13.036 2.832) 13.341 28.362 ( -2.958 -13.301 -1.972) 13.768 28.980 ( 0.610 20.002 -2.170) 20.129 29.060 ( -2.093 19.504 -4.901) 20.218 30.221 ( 2.879 -5.814 3.619) 7.428 30.336 ( -2.292 -7.436 -1.374) 7.902 ======================= Grid point 206 (72/96) ======================= q-point: (-0.50 0.17 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.446 ( -8.421 5.274 19.635) 22.006 4.446 ( 8.421 5.274 19.635) 22.006 4.672 ( -10.315 11.540 25.666) 29.972 4.672 ( 10.315 11.540 25.666) 29.972 5.516 ( -1.953 -8.506 6.167) 10.686 5.516 ( 1.953 -8.506 6.167) 10.686 5.762 ( -1.906 1.198 7.832) 8.149 5.762 ( 1.906 1.198 7.832) 8.149 5.989 ( -10.208 -9.052 -1.984) 13.787 5.989 ( 10.208 -9.052 -1.984) 13.787 6.132 ( -4.514 -3.976 6.803) 9.081 6.132 ( 4.514 -3.976 6.803) 9.081 6.780 ( -11.439 10.074 0.259) 15.245 6.780 ( 11.439 10.074 0.259) 15.245 7.325 ( -2.705 -4.145 4.631) 6.778 7.325 ( 2.705 -4.145 4.631) 6.778 7.404 ( -10.640 6.820 4.806) 13.521 7.404 ( 10.640 6.820 4.806) 13.521 7.877 ( -13.103 -6.621 -2.065) 14.825 7.877 ( 13.103 -6.621 -2.065) 14.825 8.280 ( -3.048 0.902 9.385) 9.909 8.280 ( 3.048 0.902 9.385) 9.909 8.360 ( -13.842 13.057 -4.388) 19.528 8.360 ( 13.842 13.057 -4.388) 19.528 8.774 ( -10.730 5.108 1.397) 11.965 8.774 ( 10.730 5.108 1.397) 11.965 8.921 ( -2.737 1.453 -2.928) 4.264 8.921 ( 2.737 1.453 -2.928) 4.264 9.161 ( -2.258 5.601 -6.759) 9.064 9.161 ( 2.258 5.601 -6.759) 9.064 9.368 ( -9.123 0.585 -0.855) 9.182 9.368 ( 9.123 0.585 -0.855) 9.182 9.824 ( -12.002 1.411 -2.811) 12.408 9.824 ( 12.002 1.411 -2.811) 12.408 9.981 ( -11.415 6.531 -5.326) 14.189 9.981 ( 11.415 6.531 -5.326) 14.189 10.652 ( -11.967 -4.369 3.944) 13.336 10.652 ( 11.967 -4.369 3.944) 13.336 10.718 ( -8.298 1.092 0.973) 8.425 10.718 ( 8.298 1.092 0.973) 8.425 11.182 ( -15.529 7.245 -8.019) 18.919 11.182 ( 15.529 7.245 -8.019) 18.919 11.436 ( -7.854 -10.511 -5.230) 14.126 11.436 ( 7.854 -10.511 -5.230) 14.126 11.669 ( -10.545 -4.203 -10.048) 15.160 11.669 ( 10.545 -4.203 -10.048) 15.160 11.802 ( -10.525 -5.652 -1.189) 12.006 11.802 ( 10.525 -5.652 -1.189) 12.006 12.407 ( -9.407 -12.264 -9.932) 18.372 12.407 ( 9.407 -12.264 -9.932) 18.372 12.884 ( -4.427 4.178 -23.490) 24.266 12.884 ( 4.427 4.178 -23.490) 24.266 13.154 ( -11.518 -10.377 -5.304) 16.385 13.154 ( 11.518 -10.377 -5.304) 16.385 13.821 ( -7.495 -13.398 8.393) 17.496 13.821 ( 7.495 -13.398 8.393) 17.496 14.255 ( -17.461 -8.697 5.749) 20.337 14.255 ( 17.461 -8.697 5.749) 20.337 14.480 ( -12.277 -1.893 6.528) 14.033 14.480 ( 12.277 -1.893 6.528) 14.033 15.031 ( -2.966 11.896 11.252) 16.641 15.031 ( 2.966 11.896 11.252) 16.641 15.347 ( -13.436 10.509 -1.663) 17.138 15.347 ( 13.436 10.509 -1.663) 17.138 15.678 ( -1.963 -7.202 2.776) 7.964 15.678 ( 1.963 -7.202 2.776) 7.964 16.007 ( -16.286 2.249 -11.243) 19.917 16.007 ( 16.286 2.249 -11.243) 19.917 16.267 ( -9.791 10.353 3.394) 14.648 16.267 ( 9.791 10.353 3.394) 14.648 16.777 ( -11.748 1.377 0.933) 11.865 16.777 ( 11.748 1.377 0.933) 11.865 16.979 ( -15.247 6.081 -1.543) 16.488 16.979 ( 15.247 6.081 -1.543) 16.488 17.867 ( -11.019 -2.095 -3.489) 11.747 17.867 ( 11.019 -2.095 -3.489) 11.747 18.098 ( -3.480 2.670 -0.048) 4.387 18.098 ( 3.480 2.670 -0.048) 4.387 18.478 ( -5.049 -2.712 7.184) 9.190 18.478 ( 5.049 -2.712 7.184) 9.190 18.557 ( -2.660 2.040 15.457) 15.816 18.557 ( 2.660 2.040 15.457) 15.816 19.080 ( -10.529 -2.119 12.050) 16.142 19.080 ( 10.529 -2.119 12.050) 16.142 19.700 ( -4.971 -3.791 -7.365) 9.660 19.700 ( 4.971 -3.791 -7.365) 9.660 19.910 ( -5.283 1.929 -9.320) 10.885 19.910 ( 5.283 1.929 -9.320) 10.885 20.425 ( -4.363 0.479 -4.947) 6.614 20.425 ( 4.363 0.479 -4.947) 6.614 20.602 ( -13.720 4.127 -2.872) 14.613 20.602 ( 13.720 4.127 -2.872) 14.613 25.543 ( -1.686 -1.597 -1.331) 2.676 25.543 ( 1.686 -1.597 -1.331) 2.676 25.748 ( -1.694 -2.564 1.779) 3.551 25.748 ( 1.694 -2.564 1.779) 3.551 25.801 ( -4.751 0.787 -4.509) 6.598 25.801 ( 4.751 0.787 -4.509) 6.598 26.222 ( -3.007 -5.842 -6.743) 9.415 26.222 ( 3.007 -5.842 -6.743) 9.415 27.573 ( -5.016 4.037 1.758) 6.675 27.573 ( 5.016 4.037 1.758) 6.675 28.302 ( -2.900 -13.481 0.429) 13.796 28.302 ( 2.900 -13.481 0.429) 13.796 29.012 ( -2.501 20.699 -3.418) 21.128 29.012 ( 2.501 20.699 -3.418) 21.128 30.282 ( -3.293 -7.098 1.144) 7.907 30.282 ( 3.293 -7.098 1.144) 7.907 ======================= Grid point 210 (73/96) ======================= q-point: ( 0.00 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.333 ( 0.000 7.611 33.204) 34.065 4.602 ( 0.000 8.685 35.824) 36.862 4.933 ( 0.000 -10.763 19.641) 22.397 5.106 ( 0.000 4.482 7.184) 8.467 5.301 ( 0.000 0.387 -6.311) 6.323 5.377 ( 0.000 -12.041 21.607) 24.735 5.764 ( 0.000 6.805 19.915) 21.045 5.931 ( 0.000 -0.556 5.364) 5.393 6.111 ( 0.000 -4.133 12.034) 12.724 6.126 ( 0.000 -9.266 23.368) 25.138 6.402 ( 0.000 1.190 -0.418) 1.262 6.449 ( 0.000 10.201 4.141) 11.009 6.630 ( 0.000 4.889 -5.579) 7.418 6.865 ( 0.000 1.828 -20.393) 20.475 7.005 ( 0.000 -4.246 -2.730) 5.048 7.106 ( 0.000 -7.650 3.368) 8.358 7.236 ( 0.000 2.567 18.610) 18.786 7.343 ( 0.000 0.782 -2.942) 3.044 7.625 ( 0.000 9.190 -6.844) 11.458 7.961 ( 0.000 -0.942 -2.758) 2.914 8.096 ( 0.000 4.114 -13.423) 14.040 8.284 ( 0.000 -5.093 -3.478) 6.167 8.434 ( 0.000 0.376 9.431) 9.438 8.481 ( 0.000 0.163 -5.416) 5.419 8.668 ( 0.000 5.238 4.356) 6.813 8.758 ( 0.000 21.382 -5.297) 22.028 8.897 ( 0.000 14.702 3.096) 15.025 8.980 ( 0.000 0.023 0.494) 0.495 9.096 ( 0.000 12.864 2.479) 13.101 9.259 ( 0.000 18.444 -6.190) 19.455 9.574 ( 0.000 -9.450 -6.113) 11.255 9.656 ( 0.000 1.057 0.007) 1.057 9.717 ( 0.000 2.687 -10.942) 11.267 9.777 ( 0.000 -2.836 5.579) 6.259 10.094 ( 0.000 -1.273 8.845) 8.936 10.178 ( 0.000 9.432 -3.087) 9.924 10.481 ( 0.000 -3.478 -0.105) 3.480 10.538 ( 0.000 -2.599 0.881) 2.744 10.690 ( 0.000 -18.903 1.075) 18.934 10.746 ( 0.000 -8.691 -15.207) 17.516 10.781 ( 0.000 7.007 -1.988) 7.284 10.853 ( 0.000 8.940 -6.002) 10.767 11.324 ( 0.000 12.471 -9.236) 15.518 11.450 ( 0.000 -11.982 -9.466) 15.270 11.602 ( 0.000 -18.552 -11.577) 21.867 11.769 ( 0.000 -10.759 -8.488) 13.704 12.134 ( 0.000 -11.591 -8.918) 14.625 12.340 ( 0.000 0.013 -9.404) 9.404 12.449 ( 0.000 -2.701 -12.388) 12.679 12.529 ( 0.000 -9.204 -5.605) 10.777 12.601 ( 0.000 -3.424 -4.620) 5.750 12.814 ( 0.000 -8.547 -12.475) 15.122 12.962 ( 0.000 0.977 0.932) 1.351 13.103 ( 0.000 -8.444 14.310) 16.616 13.565 ( 0.000 11.845 9.505) 15.187 13.854 ( 0.000 -2.671 -9.403) 9.775 13.896 ( 0.000 7.774 -0.536) 7.792 13.997 ( 0.000 -8.663 -5.378) 10.197 14.375 ( 0.000 1.623 -1.439) 2.169 14.516 ( 0.000 -7.099 7.099) 10.039 14.638 ( 0.000 -20.779 2.629) 20.944 14.675 ( 0.000 -17.761 3.991) 18.204 15.350 ( 0.000 19.339 -6.610) 20.437 15.528 ( 0.000 16.156 -9.314) 18.649 15.691 ( 0.000 3.599 14.972) 15.398 15.833 ( 0.000 0.006 18.031) 18.031 16.264 ( 0.000 1.812 7.776) 7.985 16.289 ( 0.000 -0.261 -5.275) 5.281 16.647 ( 0.000 -13.280 -3.070) 13.631 16.723 ( 0.000 -1.753 -6.355) 6.592 16.816 ( 0.000 12.622 6.687) 14.284 16.903 ( 0.000 20.237 2.654) 20.411 16.979 ( 0.000 1.866 -8.716) 8.914 17.281 ( 0.000 -6.882 -17.758) 19.045 17.662 ( 0.000 0.643 8.109) 8.135 17.811 ( 0.000 -0.994 9.018) 9.072 18.098 ( 0.000 5.267 10.777) 11.995 18.302 ( 0.000 -1.735 10.648) 10.788 18.369 ( 0.000 2.855 4.371) 5.221 18.427 ( 0.000 -1.449 15.309) 15.378 18.739 ( 0.000 4.168 5.938) 7.255 18.895 ( 0.000 19.096 2.708) 19.287 18.991 ( 0.000 -1.010 3.884) 4.014 19.063 ( 0.000 4.247 6.075) 7.412 19.110 ( 0.000 -11.352 4.990) 12.400 19.539 ( 0.000 -2.797 -6.647) 7.212 19.882 ( 0.000 -3.535 -0.324) 3.550 20.014 ( 0.000 1.526 -12.837) 12.928 20.157 ( 0.000 1.386 -2.881) 3.197 20.226 ( 0.000 -10.685 -5.867) 12.190 20.598 ( 0.000 13.413 -12.301) 18.199 21.003 ( 0.000 -5.364 -12.633) 13.724 25.498 ( 0.000 -0.389 4.619) 4.636 25.511 ( 0.000 -1.944 4.440) 4.847 25.678 ( 0.000 5.445 -0.456) 5.465 25.698 ( 0.000 1.127 -3.560) 3.734 25.895 ( 0.000 -2.027 -5.064) 5.455 25.903 ( 0.000 -1.569 -2.757) 3.172 26.162 ( 0.000 -7.075 -7.526) 10.329 26.210 ( 0.000 -7.032 -7.841) 10.532 27.402 ( 0.000 8.169 6.032) 10.155 27.616 ( 0.000 -0.116 -0.781) 0.789 28.135 ( 0.000 -6.467 0.709) 6.505 28.211 ( 0.000 -8.149 -1.960) 8.381 29.320 ( 0.000 13.300 -3.493) 13.752 29.366 ( 0.000 12.239 -3.308) 12.678 30.089 ( 0.000 -4.047 4.034) 5.714 30.197 ( 0.000 -9.615 -1.357) 9.711 ======================= Grid point 211 (74/96) ======================= q-point: ( 0.17 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.309 ( -0.237 9.250 33.071) 34.341 4.665 ( 4.458 12.788 30.308) 33.197 4.903 ( -2.411 -11.566 9.592) 15.218 5.096 ( 0.284 0.838 12.964) 12.994 5.286 ( 1.427 -1.830 3.407) 4.122 5.506 ( 7.506 -9.335 10.391) 15.857 5.713 ( -7.406 6.068 20.969) 23.051 5.892 ( -5.321 2.139 8.879) 10.570 5.995 ( -11.074 -4.084 13.012) 17.568 6.071 ( -9.007 0.532 4.843) 10.240 6.241 ( -7.244 -5.837 8.839) 12.833 6.390 ( -6.536 1.686 2.684) 7.264 6.529 ( -0.315 1.988 -0.572) 2.092 6.773 ( -2.617 -8.433 -1.409) 8.941 7.142 ( 8.791 9.189 -5.741) 13.952 7.304 ( 6.067 4.447 2.318) 7.871 7.349 ( 15.535 1.454 12.990) 20.303 7.533 ( 7.918 -1.477 -3.552) 8.803 7.589 ( 4.230 2.915 -8.536) 9.962 7.896 ( -2.169 -3.209 2.342) 4.526 8.076 ( -3.133 4.718 2.076) 6.032 8.215 ( -4.123 -3.281 -11.668) 12.803 8.455 ( 1.816 4.815 -0.692) 5.193 8.659 ( 8.093 0.742 -2.471) 8.494 8.703 ( 5.852 12.483 -2.087) 13.943 8.869 ( 12.264 12.600 4.769) 18.218 8.978 ( 2.860 16.005 -1.342) 16.314 8.990 ( 7.338 2.061 3.164) 8.253 9.149 ( -0.346 7.052 -6.125) 9.347 9.234 ( 1.330 13.823 -2.690) 14.145 9.420 ( -12.403 -3.766 -1.775) 13.083 9.632 ( -2.319 1.673 -4.465) 5.302 9.691 ( -4.927 -1.604 -0.397) 5.196 9.710 ( -1.677 1.332 -4.466) 4.953 10.096 ( -1.107 -0.894 8.409) 8.528 10.276 ( 3.240 1.626 -6.995) 7.879 10.398 ( 0.443 1.343 -5.771) 5.942 10.591 ( -1.131 -9.707 4.003) 10.561 10.638 ( -2.212 -1.718 -6.750) 7.308 10.761 ( 3.335 -11.712 -0.754) 12.201 10.905 ( 9.239 5.826 -7.481) 13.240 10.948 ( 10.368 3.238 0.297) 10.865 11.330 ( -0.665 9.924 -11.911) 15.518 11.433 ( -1.737 -9.367 -4.828) 10.681 11.593 ( -0.719 -14.092 -10.909) 17.836 11.743 ( -3.485 -10.132 -7.351) 12.993 11.997 ( -14.008 -13.021 -3.952) 19.529 12.173 ( -18.518 -8.706 -1.210) 20.498 12.333 ( -6.039 2.862 -5.076) 8.392 12.513 ( 0.358 -6.717 -12.838) 14.494 12.609 ( -3.505 -6.702 -8.645) 11.487 12.748 ( 1.527 -6.839 -17.565) 18.911 12.984 ( 0.816 2.218 -5.846) 6.305 13.238 ( 9.983 -10.227 12.797) 19.184 13.616 ( -7.541 6.013 -5.938) 11.326 13.717 ( 1.538 -0.192 -3.090) 3.457 13.956 ( 11.466 8.321 6.152) 15.446 14.047 ( -8.679 -2.006 1.709) 9.071 14.396 ( -7.608 -11.028 -0.632) 13.413 14.486 ( 12.089 -4.135 -6.223) 14.212 14.679 ( 4.984 -24.072 4.923) 25.070 14.809 ( 9.051 -14.066 4.886) 17.425 15.292 ( -3.598 19.990 -1.734) 20.385 15.572 ( 3.249 7.556 -5.380) 9.828 15.743 ( 0.513 9.284 13.395) 16.306 15.866 ( 4.522 4.638 11.120) 12.869 16.184 ( -7.810 4.028 5.026) 10.123 16.291 ( -0.338 1.950 2.236) 2.986 16.525 ( -2.973 -3.259 3.659) 5.732 16.792 ( -2.530 -6.099 -4.841) 8.188 16.819 ( -4.139 4.505 -0.333) 6.127 16.854 ( -2.278 8.478 -9.364) 12.836 16.912 ( -0.574 13.373 4.266) 14.048 17.259 ( -5.945 7.491 -12.355) 15.624 17.543 ( -3.959 -7.954 6.033) 10.740 17.832 ( 2.240 -4.432 -3.069) 5.838 18.157 ( 4.971 3.043 13.538) 14.739 18.333 ( -1.174 3.627 3.858) 5.423 18.389 ( -4.008 -1.524 15.512) 16.094 18.496 ( 11.458 -2.652 7.185) 13.781 18.683 ( -6.467 2.164 5.877) 9.002 18.722 ( -10.336 6.763 11.097) 16.605 18.874 ( -3.163 8.703 6.245) 11.169 19.136 ( 1.563 -7.438 4.475) 8.820 19.342 ( 14.976 3.308 -1.624) 15.423 19.608 ( 6.475 -3.726 -7.030) 10.258 19.824 ( -4.035 -0.850 -4.549) 6.140 20.030 ( -1.580 -4.166 -12.456) 13.229 20.182 ( 5.842 2.740 2.787) 7.029 20.291 ( 5.556 -5.694 -4.708) 9.244 20.598 ( -0.123 12.334 -10.067) 15.921 20.962 ( -4.280 -4.466 -10.735) 12.389 25.481 ( -0.802 0.014 1.992) 2.148 25.513 ( 0.167 -1.649 3.477) 3.852 25.685 ( -0.045 3.089 -0.214) 3.097 25.706 ( 1.206 2.034 -3.519) 4.239 25.850 ( -3.012 -0.875 -2.137) 3.795 25.920 ( 0.465 -3.390 -4.914) 5.988 26.109 ( -4.752 -6.569 -9.014) 12.124 26.208 ( -1.272 -7.408 -9.034) 11.752 27.454 ( 5.271 8.102 6.251) 11.511 27.653 ( 3.501 1.017 -0.550) 3.687 28.102 ( -2.937 -6.652 2.312) 7.630 28.191 ( -2.121 -8.783 -1.816) 9.216 29.328 ( 1.263 15.317 -1.973) 15.495 29.399 ( 2.533 13.570 -4.087) 14.396 30.075 ( -1.222 -5.863 3.817) 7.102 30.180 ( -1.702 -10.486 -1.371) 10.711 ======================= Grid point 212 (75/96) ======================= q-point: ( 0.33 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.386 ( 8.970 11.014 27.073) 30.573 4.712 ( 0.046 15.314 18.148) 23.746 4.870 ( -0.658 -0.617 5.505) 5.578 5.163 ( -0.288 -10.427 6.335) 12.204 5.217 ( -8.034 6.721 16.587) 19.618 5.458 ( -8.926 1.282 14.270) 16.881 5.594 ( 1.850 -10.769 4.886) 11.969 5.771 ( -5.444 -3.844 8.751) 11.000 5.872 ( -0.691 2.900 12.049) 12.412 6.024 ( -0.392 -2.954 10.007) 10.441 6.059 ( -12.046 -6.232 9.068) 16.315 6.175 ( -9.852 -5.790 2.426) 11.682 6.680 ( 13.547 3.798 9.526) 16.991 6.871 ( 8.536 -5.283 3.406) 10.601 7.273 ( 3.132 9.089 1.983) 9.816 7.368 ( -11.360 1.006 7.653) 13.735 7.443 ( 1.967 7.438 -1.789) 7.899 7.541 ( 10.738 0.087 3.287) 11.230 7.748 ( 1.037 2.496 -3.588) 4.492 7.994 ( -4.566 -1.531 -2.870) 5.606 8.105 ( 15.955 -2.715 -3.602) 16.581 8.201 ( 8.470 -1.111 7.898) 11.634 8.474 ( -0.895 8.134 -3.075) 8.742 8.658 ( 0.522 13.477 -9.184) 16.317 8.862 ( -6.065 8.464 -4.249) 11.246 8.991 ( -6.159 5.324 3.089) 8.707 9.023 ( 7.726 7.199 0.320) 10.565 9.070 ( 1.822 6.540 -0.103) 6.790 9.158 ( 2.092 5.957 -1.038) 6.398 9.264 ( 6.194 5.783 -4.507) 9.597 9.332 ( -1.814 3.913 -9.005) 9.984 9.579 ( -4.361 5.287 -0.909) 6.913 9.701 ( 8.205 5.354 -4.262) 10.684 9.747 ( 10.302 -4.907 -3.041) 11.810 10.013 ( -7.222 0.757 1.942) 7.517 10.217 ( -3.354 -4.762 -7.492) 9.490 10.522 ( -1.885 -16.514 -2.545) 16.815 10.572 ( 9.595 0.253 -0.028) 9.599 10.618 ( -3.181 13.122 1.878) 13.632 10.822 ( 4.482 -5.646 -1.421) 7.348 11.116 ( 8.770 6.478 -2.507) 11.187 11.147 ( 3.531 -15.284 -0.572) 15.697 11.221 ( -7.099 -1.575 -5.039) 8.847 11.379 ( -1.834 -1.994 4.458) 5.216 11.534 ( -8.100 -11.583 -3.209) 14.494 11.675 ( -0.708 -4.421 -10.765) 11.659 11.738 ( -5.563 -7.580 -12.034) 15.271 11.852 ( -16.876 -2.488 -3.028) 17.325 12.235 ( -3.736 0.366 -8.229) 9.045 12.400 ( -8.253 -1.454 -8.856) 12.192 12.638 ( 8.801 -13.830 -10.601) 19.522 12.862 ( 4.169 -9.166 -18.382) 20.959 13.039 ( 5.545 5.658 -11.544) 14.001 13.323 ( -3.768 -5.646 -6.789) 9.600 13.562 ( 0.422 -0.623 -2.202) 2.327 13.688 ( 0.928 -0.217 1.833) 2.066 13.767 ( -15.312 -5.979 3.273) 16.761 14.171 ( 1.360 -2.587 5.462) 6.195 14.333 ( 2.762 -11.518 -6.026) 13.289 14.581 ( -2.671 -12.781 -5.494) 14.166 14.859 ( 13.356 -10.177 6.599) 18.042 15.046 ( 18.024 -9.239 7.375) 21.555 15.293 ( 3.219 16.684 5.677) 17.915 15.582 ( -3.258 4.341 8.527) 10.108 15.680 ( -5.869 7.582 4.483) 10.585 15.894 ( -2.179 5.206 1.014) 5.734 16.004 ( -9.771 11.405 5.351) 15.943 16.327 ( -1.338 0.146 4.545) 4.740 16.508 ( -11.598 3.936 -0.473) 12.257 16.632 ( 9.388 3.345 1.866) 10.140 16.726 ( -1.142 12.557 3.268) 13.025 16.861 ( -1.736 1.911 0.015) 2.582 16.965 ( 1.489 12.201 -2.635) 12.570 17.170 ( -3.321 5.792 -9.922) 11.959 17.548 ( 5.354 -13.268 0.171) 14.308 17.885 ( 0.800 -6.734 -7.827) 10.356 18.224 ( -1.171 -1.868 8.969) 9.236 18.261 ( -5.954 6.138 2.882) 9.024 18.292 ( -1.179 0.562 9.032) 9.126 18.513 ( -7.755 -2.209 9.143) 12.191 18.608 ( 1.014 3.572 9.773) 10.455 18.706 ( 1.216 1.861 10.014) 10.258 18.857 ( 4.260 2.989 9.593) 10.914 19.119 ( -3.771 -6.895 4.137) 8.881 19.569 ( 8.707 3.202 -5.495) 10.782 19.722 ( 2.017 -2.689 -6.687) 7.484 19.784 ( 2.455 -0.293 -7.454) 7.854 19.970 ( -3.915 -4.887 -10.398) 12.138 20.342 ( 9.218 3.253 3.979) 10.554 20.429 ( 9.105 -0.823 -2.221) 9.408 20.582 ( -1.693 9.418 -4.403) 10.533 20.842 ( -8.422 -2.202 -5.979) 10.560 25.490 ( 1.859 0.474 -1.323) 2.330 25.527 ( 1.298 -0.502 -0.457) 1.465 25.672 ( -0.905 -0.609 0.108) 1.096 25.734 ( 0.594 0.872 -4.049) 4.184 25.792 ( -2.154 -0.663 -0.285) 2.271 25.914 ( -2.447 0.349 -6.025) 6.513 26.024 ( -1.875 -9.274 -10.994) 14.505 26.151 ( -4.402 -8.116 -10.384) 13.895 27.579 ( 7.183 8.087 5.823) 12.284 27.717 ( 2.063 4.894 0.338) 5.322 28.053 ( -1.400 -8.804 4.320) 9.907 28.135 ( -3.571 -9.711 -0.276) 10.350 29.368 ( 2.737 18.497 -1.053) 18.728 29.434 ( 0.689 17.486 -3.635) 17.873 30.059 ( -0.037 -10.130 2.745) 10.496 30.135 ( -2.912 -12.228 -0.867) 12.600 ======================= Grid point 213 (76/96) ======================= q-point: (-0.50 0.33 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.617 ( -12.079 11.477 15.763) 22.937 4.617 ( 12.079 11.477 15.763) 22.937 4.904 ( -7.018 8.676 11.357) 15.922 4.904 ( 7.018 8.676 11.357) 15.922 5.344 ( -7.231 -6.521 11.723) 15.239 5.344 ( 7.231 -6.521 11.723) 15.239 5.649 ( -5.720 -11.868 5.054) 14.110 5.649 ( 5.720 -11.868 5.054) 14.110 5.909 ( -3.963 1.277 11.579) 12.305 5.909 ( 3.963 1.277 11.579) 12.305 6.048 ( -3.648 -4.567 9.155) 10.862 6.048 ( 3.648 -4.567 9.155) 10.862 6.939 ( -8.801 6.364 4.489) 11.752 6.939 ( 8.801 6.364 4.489) 11.752 7.199 ( -3.629 -7.362 10.221) 13.108 7.199 ( 3.629 -7.362 10.221) 13.108 7.589 ( -9.528 10.347 0.351) 14.070 7.589 ( 9.528 10.347 0.351) 14.070 7.832 ( -11.755 -0.467 -4.033) 12.436 7.832 ( 11.755 -0.467 -4.033) 12.436 8.320 ( -9.485 3.872 2.592) 10.567 8.320 ( 9.485 3.872 2.592) 10.567 8.578 ( -15.096 1.182 -3.560) 15.555 8.578 ( 15.096 1.182 -3.560) 15.555 8.790 ( -8.994 7.826 -5.226) 13.017 8.790 ( 8.994 7.826 -5.226) 13.017 9.110 ( -1.700 10.902 4.665) 11.979 9.110 ( 1.700 10.902 4.665) 11.979 9.230 ( -5.962 0.593 -8.759) 10.612 9.230 ( 5.962 0.593 -8.759) 10.612 9.445 ( -9.884 9.896 -3.189) 14.346 9.445 ( 9.884 9.896 -3.189) 14.346 9.839 ( -9.145 -1.247 -4.264) 10.167 9.839 ( 9.145 -1.247 -4.264) 10.167 10.103 ( -14.504 2.997 -6.225) 16.065 10.103 ( 14.504 2.997 -6.225) 16.065 10.509 ( -2.611 -6.645 2.584) 7.593 10.509 ( 2.611 -6.645 2.584) 7.593 10.786 ( -12.917 -2.229 8.363) 15.548 10.786 ( 12.917 -2.229 8.363) 15.548 11.066 ( -9.809 -12.036 -1.010) 15.560 11.066 ( 9.809 -12.036 -1.010) 15.560 11.356 ( -10.628 -0.322 -11.408) 15.595 11.356 ( 10.628 -0.322 -11.408) 15.595 11.542 ( -14.127 -4.084 5.082) 15.559 11.542 ( 14.127 -4.084 5.082) 15.559 11.704 ( -2.405 -3.442 -13.327) 13.973 11.704 ( 2.405 -3.442 -13.327) 13.973 12.259 ( -6.282 1.296 -10.406) 12.224 12.259 ( 6.282 1.296 -10.406) 12.224 12.831 ( -8.016 -11.626 -13.401) 19.468 12.831 ( 8.016 -11.626 -13.401) 19.468 13.180 ( -8.952 7.449 -16.194) 19.946 13.180 ( 8.952 7.449 -16.194) 19.946 13.530 ( -3.928 -9.573 4.555) 11.306 13.530 ( 3.928 -9.573 4.555) 11.306 13.963 ( -17.513 -9.365 1.148) 19.893 13.963 ( 17.513 -9.365 1.148) 19.893 14.463 ( -8.259 -12.963 -5.479) 16.318 14.463 ( 8.259 -12.963 -5.479) 16.318 15.161 ( -15.038 5.731 10.728) 19.342 15.161 ( 15.038 5.731 10.728) 19.342 15.440 ( -18.711 1.163 10.543) 21.508 15.440 ( 18.711 1.163 10.543) 21.508 15.687 ( -14.495 8.182 6.229) 17.772 15.687 ( 14.495 8.182 6.229) 17.772 16.067 ( -13.833 -0.320 -8.790) 16.393 16.067 ( 13.833 -0.320 -8.790) 16.393 16.578 ( -8.015 14.623 10.373) 19.638 16.578 ( 8.015 14.623 10.373) 19.638 16.885 ( -5.832 10.639 -5.867) 13.476 16.885 ( 5.832 10.639 -5.867) 13.476 16.996 ( -13.239 -0.061 0.892) 13.269 16.996 ( 13.239 -0.061 0.892) 13.269 17.764 ( -13.188 -11.298 -5.774) 18.301 17.764 ( 13.188 -11.298 -5.774) 18.301 18.177 ( -1.275 5.207 3.942) 6.654 18.177 ( 1.275 5.207 3.942) 6.654 18.380 ( -6.544 -5.221 7.688) 11.366 18.380 ( 6.544 -5.221 7.688) 11.366 18.656 ( -3.821 7.562 10.500) 13.492 18.656 ( 3.821 7.562 10.500) 13.492 19.001 ( -8.102 -6.224 6.914) 12.336 19.001 ( 8.102 -6.224 6.914) 12.336 19.684 ( -4.000 2.300 -6.452) 7.932 19.684 ( 4.000 2.300 -6.452) 7.932 19.883 ( -5.376 -4.256 -8.940) 11.267 19.883 ( 5.376 -4.256 -8.940) 11.267 20.487 ( -5.467 5.499 -0.012) 7.754 20.487 ( 5.467 5.499 -0.012) 7.754 20.654 ( -10.663 0.306 -1.142) 10.728 20.654 ( 10.663 0.306 -1.142) 10.728 25.533 ( -1.560 1.286 -2.840) 3.486 25.533 ( 1.560 1.286 -2.840) 3.486 25.685 ( -3.038 -3.849 -0.341) 4.916 25.685 ( 3.038 -3.849 -0.341) 4.916 25.830 ( -4.556 2.312 -5.593) 7.575 25.830 ( 4.556 2.312 -5.593) 7.575 26.063 ( -4.325 -9.196 -10.369) 14.518 26.063 ( 4.325 -9.196 -10.369) 14.518 27.696 ( -4.312 7.999 3.442) 9.718 27.696 ( 4.312 7.999 3.442) 9.718 28.069 ( -2.862 -10.510 2.585) 11.196 28.069 ( 2.862 -10.510 2.585) 11.196 29.418 ( -2.134 19.850 -1.983) 20.063 29.418 ( 2.134 19.850 -1.983) 20.063 30.082 ( -2.355 -12.813 0.734) 13.048 30.082 ( 2.355 -12.813 0.734) 13.048 ======================= Grid point 217 (77/96) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.517 ( 0.000 -10.841 23.938) 26.278 4.517 ( 0.000 10.841 23.938) 26.278 5.044 ( 0.000 -14.158 34.474) 37.268 5.044 ( 0.000 14.158 34.474) 37.268 5.259 ( 0.000 -3.581 -2.071) 4.136 5.259 ( 0.000 3.581 -2.071) 4.136 5.921 ( 0.000 -7.183 19.361) 20.651 5.921 ( 0.000 7.183 19.361) 20.651 5.983 ( 0.000 -2.757 9.023) 9.434 5.983 ( 0.000 2.757 9.023) 9.434 6.493 ( 0.000 -3.424 1.238) 3.641 6.493 ( 0.000 3.424 1.238) 3.641 6.817 ( 0.000 -10.049 -4.509) 11.014 6.817 ( 0.000 10.049 -4.509) 11.014 6.959 ( 0.000 -0.610 -6.127) 6.158 6.959 ( 0.000 0.610 -6.127) 6.158 7.314 ( 0.000 -3.183 6.685) 7.404 7.314 ( 0.000 3.183 6.685) 7.404 7.839 ( 0.000 -10.298 -6.936) 12.417 7.839 ( 0.000 10.298 -6.936) 12.417 8.182 ( 0.000 -4.787 -8.195) 9.491 8.182 ( 0.000 4.787 -8.195) 9.491 8.461 ( 0.000 -1.798 8.096) 8.294 8.461 ( 0.000 1.798 8.096) 8.294 8.790 ( 0.000 -6.448 0.577) 6.473 8.790 ( 0.000 6.448 0.577) 6.473 9.170 ( 0.000 -4.521 0.987) 4.628 9.170 ( 0.000 4.521 0.987) 4.628 9.340 ( 0.000 -8.249 -5.589) 9.964 9.340 ( 0.000 8.249 -5.589) 9.964 9.594 ( 0.000 -14.118 -7.391) 15.935 9.594 ( 0.000 14.118 -7.391) 15.935 9.707 ( 0.000 -5.015 0.968) 5.107 9.707 ( 0.000 5.015 0.968) 5.107 10.182 ( 0.000 -13.267 -1.087) 13.311 10.182 ( 0.000 13.267 -1.087) 13.311 10.359 ( 0.000 -8.918 -0.794) 8.953 10.359 ( 0.000 8.918 -0.794) 8.953 10.581 ( 0.000 -5.217 -1.074) 5.327 10.581 ( 0.000 5.217 -1.074) 5.327 10.958 ( 0.000 -3.793 -4.233) 5.684 10.958 ( 0.000 3.793 -4.233) 5.684 11.324 ( 0.000 -5.222 -4.291) 6.758 11.324 ( 0.000 5.222 -4.291) 6.758 11.618 ( 0.000 -12.436 -10.684) 16.395 11.618 ( 0.000 12.436 -10.684) 16.395 12.063 ( 0.000 -11.907 -7.466) 14.055 12.063 ( 0.000 11.907 -7.466) 14.055 12.525 ( 0.000 -4.815 -8.518) 9.785 12.525 ( 0.000 4.815 -8.518) 9.785 12.617 ( 0.000 -9.651 -14.048) 17.044 12.617 ( 0.000 9.651 -14.048) 17.044 12.997 ( 0.000 -2.671 4.166) 4.949 12.997 ( 0.000 2.671 4.166) 4.949 13.846 ( 0.000 -2.896 -7.148) 7.712 13.846 ( 0.000 2.896 -7.148) 7.712 13.906 ( 0.000 -6.798 6.925) 9.704 13.906 ( 0.000 6.798 6.925) 9.704 14.355 ( 0.000 -0.933 3.781) 3.895 14.355 ( 0.000 0.933 3.781) 3.895 14.464 ( 0.000 -0.189 2.359) 2.366 14.464 ( 0.000 0.189 2.359) 2.366 15.650 ( 0.000 -7.728 -5.988) 9.776 15.650 ( 0.000 7.728 -5.988) 9.776 15.781 ( 0.000 -3.926 13.826) 14.373 15.781 ( 0.000 3.926 13.826) 14.373 16.282 ( 0.000 -0.478 -0.910) 1.028 16.282 ( 0.000 0.478 -0.910) 1.028 16.548 ( 0.000 -4.540 -5.032) 6.777 16.548 ( 0.000 4.540 -5.032) 6.777 16.996 ( 0.000 -0.880 -9.938) 9.976 16.996 ( 0.000 0.880 -9.938) 9.976 17.188 ( 0.000 -4.934 4.874) 6.935 17.188 ( 0.000 4.934 4.874) 6.935 17.733 ( 0.000 -5.728 7.060) 9.092 17.733 ( 0.000 5.728 7.060) 9.092 18.215 ( 0.000 -6.031 16.439) 17.510 18.215 ( 0.000 6.031 16.439) 17.510 18.407 ( 0.000 -1.061 6.704) 6.788 18.407 ( 0.000 1.061 6.704) 6.788 18.840 ( 0.000 -7.446 4.356) 8.627 18.840 ( 0.000 7.446 4.356) 8.627 19.051 ( 0.000 -1.125 5.222) 5.342 19.051 ( 0.000 1.125 5.222) 5.342 19.342 ( 0.000 -16.692 -0.877) 16.715 19.342 ( 0.000 16.692 -0.877) 16.715 19.917 ( 0.000 -7.158 -10.110) 12.387 19.917 ( 0.000 7.158 -10.110) 12.387 20.155 ( 0.000 -0.808 -1.670) 1.855 20.155 ( 0.000 0.808 -1.670) 1.855 20.844 ( 0.000 -10.589 -12.739) 16.565 20.844 ( 0.000 10.589 -12.739) 16.565 25.495 ( 0.000 -0.071 4.511) 4.512 25.495 ( 0.000 0.071 4.511) 4.512 25.764 ( 0.000 -2.848 -6.479) 7.077 25.764 ( 0.000 2.848 -6.479) 7.077 25.833 ( 0.000 -3.083 -4.884) 5.775 25.833 ( 0.000 3.083 -4.884) 5.775 26.113 ( 0.000 -1.696 -5.083) 5.358 26.113 ( 0.000 1.696 -5.083) 5.358 27.555 ( 0.000 -6.207 4.759) 7.821 27.555 ( 0.000 6.207 4.759) 7.821 28.098 ( 0.000 -2.625 -1.651) 3.101 28.098 ( 0.000 2.625 -1.651) 3.101 29.488 ( 0.000 -1.562 -2.978) 3.363 29.488 ( 0.000 1.562 -2.978) 3.363 30.056 ( 0.000 -2.634 1.450) 3.007 30.056 ( 0.000 2.634 1.450) 3.007 ======================= Grid point 219 (78/96) ======================= q-point: ( 0.17 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.546 ( 3.262 -14.184 21.857) 26.259 4.546 ( 3.262 14.184 21.857) 26.259 5.010 ( -1.716 -12.125 22.088) 25.256 5.010 ( -1.716 12.125 22.088) 25.256 5.329 ( 4.710 -7.341 5.671) 10.403 5.329 ( 4.710 7.341 5.671) 10.403 5.851 ( -8.171 -7.103 18.213) 21.188 5.851 ( -8.171 7.103 18.213) 21.188 5.972 ( -1.330 -4.514 8.178) 9.435 5.972 ( -1.330 4.514 8.178) 9.435 6.324 ( -18.981 -7.248 2.822) 20.513 6.324 ( -18.981 7.248 2.822) 20.513 6.617 ( 1.981 -6.899 0.769) 7.219 6.617 ( 1.981 6.899 0.769) 7.219 7.306 ( 10.906 -5.633 4.457) 13.059 7.306 ( 10.907 5.633 4.457) 13.059 7.411 ( 15.093 -6.482 -5.956) 17.472 7.411 ( 15.093 6.482 -5.956) 17.472 7.763 ( -5.955 -9.548 -1.317) 11.330 7.763 ( -5.955 9.548 -1.317) 11.330 8.153 ( -2.455 -3.197 -3.590) 5.398 8.153 ( -2.455 3.197 -3.590) 5.398 8.568 ( 8.304 -6.164 1.643) 10.471 8.568 ( 8.304 6.164 1.643) 10.471 8.897 ( 9.480 -6.789 0.156) 11.661 8.897 ( 9.480 6.789 0.156) 11.661 9.176 ( 1.279 -7.902 0.789) 8.044 9.176 ( 1.279 7.902 0.789) 8.044 9.301 ( -3.748 -4.986 -5.132) 8.078 9.301 ( -3.748 4.986 -5.132) 8.078 9.565 ( -2.752 -14.303 -7.430) 16.351 9.565 ( -2.752 14.303 -7.430) 16.351 9.668 ( -2.183 -2.871 -2.112) 4.180 9.668 ( -2.183 2.871 -2.112) 4.180 10.139 ( -3.920 -9.392 -0.610) 10.195 10.139 ( -3.920 9.392 -0.610) 10.195 10.468 ( 3.949 -4.222 -0.334) 5.790 10.468 ( 3.949 4.222 -0.334) 5.790 10.528 ( 2.347 -6.064 -0.717) 6.541 10.528 ( 2.347 6.064 -0.717) 6.541 11.039 ( 5.959 -7.231 -3.912) 10.154 11.039 ( 5.959 7.231 -3.912) 10.154 11.371 ( 3.230 -5.645 -3.361) 7.321 11.371 ( 3.230 5.645 -3.361) 7.321 11.611 ( -2.328 -14.179 -9.647) 17.307 11.611 ( -2.328 14.179 -9.647) 17.307 11.883 ( -13.923 -13.449 -1.450) 19.412 11.883 ( -13.923 13.449 -1.450) 19.412 12.433 ( -7.927 -4.586 -13.460) 16.280 12.433 ( -7.927 4.586 -13.460) 16.280 12.600 ( -1.129 -5.889 -12.544) 13.903 12.600 ( -1.129 5.889 -12.544) 13.903 13.075 ( 5.725 -6.165 1.366) 8.524 13.075 ( 5.725 6.165 1.366) 8.524 13.727 ( -4.014 -3.267 -6.451) 8.270 13.727 ( -4.014 3.267 -6.451) 8.270 14.091 ( 1.156 -7.208 0.610) 7.325 14.091 ( 1.156 7.208 0.610) 7.325 14.250 ( 0.893 -14.650 6.195) 15.931 14.250 ( 0.893 14.650 6.195) 15.931 14.567 ( 7.644 -9.270 0.661) 12.033 14.567 ( 7.644 9.270 0.661) 12.033 15.583 ( -3.539 -7.250 0.270) 8.072 15.583 ( -3.539 7.250 0.270) 8.072 15.883 ( 5.125 -3.492 11.185) 12.789 15.883 ( 5.125 3.492 11.185) 12.789 16.271 ( 0.131 -3.409 -0.053) 3.412 16.271 ( 0.131 3.409 -0.053) 3.412 16.554 ( -0.203 -9.757 -2.399) 10.050 16.554 ( -0.203 9.757 -2.399) 10.050 16.905 ( -4.801 -3.598 -9.517) 11.250 16.905 ( -4.801 3.598 -9.517) 11.250 17.215 ( -1.462 -14.871 8.277) 17.082 17.215 ( -1.462 14.871 8.277) 17.082 17.653 ( -4.009 -14.491 -1.842) 15.148 17.653 ( -4.009 14.491 -1.842) 15.148 18.266 ( 1.318 -7.322 16.841) 18.411 18.266 ( 1.318 7.322 16.841) 18.411 18.422 ( 1.653 -3.624 4.994) 6.388 18.422 ( 1.653 3.624 4.994) 6.388 18.732 ( -6.688 -2.830 6.029) 9.438 18.732 ( -6.688 2.830 6.029) 9.438 19.040 ( -2.316 -6.095 5.128) 8.296 19.040 ( -2.316 6.095 5.128) 8.296 19.470 ( 10.520 -8.819 -3.073) 14.067 19.470 ( 10.520 8.819 -3.073) 14.067 19.889 ( -2.239 -7.154 -9.582) 12.166 19.889 ( -2.239 7.154 -9.582) 12.166 20.227 ( 7.050 -1.965 0.157) 7.320 20.227 ( 7.050 1.965 0.157) 7.320 20.823 ( -2.304 -9.524 -10.293) 14.212 20.823 ( -2.304 9.524 -10.293) 14.212 25.491 ( 0.028 -0.823 2.632) 2.758 25.491 ( 0.028 0.823 2.632) 2.758 25.777 ( 0.976 -3.092 -5.191) 6.120 25.777 ( 0.976 3.092 -5.191) 6.120 25.797 ( -3.009 -0.518 -5.157) 5.993 25.797 ( -3.009 0.518 -5.157) 5.993 26.090 ( -2.709 -3.413 -7.067) 8.302 26.090 ( -2.709 3.413 -7.067) 8.302 27.606 ( 5.188 -6.012 5.006) 9.387 27.606 ( 5.188 6.012 5.006) 9.387 28.066 ( -3.144 -3.113 -0.711) 4.481 28.066 ( -3.144 3.113 -0.711) 4.481 29.534 ( 4.533 -2.569 -2.447) 5.757 29.534 ( 4.533 2.569 -2.447) 5.757 30.019 ( -3.805 -3.067 1.159) 5.023 30.019 ( -3.805 3.067 1.159) 5.023 ======================= Grid point 221 (79/96) ======================= q-point: ( 0.33 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.656 ( 8.706 -15.204 15.238) 23.219 4.656 ( 8.706 15.204 15.238) 23.219 4.991 ( -1.886 -11.407 9.503) 14.966 4.991 ( -1.886 11.407 9.503) 14.966 5.373 ( -0.146 -10.304 10.300) 14.570 5.373 ( -0.146 10.304 10.300) 14.570 5.604 ( -15.009 -10.571 13.699) 22.906 5.604 ( -15.009 10.571 13.699) 22.906 5.943 ( -0.817 -4.164 11.384) 12.149 5.943 ( -0.817 4.164 11.384) 12.149 6.063 ( -8.173 -4.261 7.583) 11.935 6.063 ( -8.173 4.261 7.583) 11.935 6.765 ( 12.587 -4.992 8.554) 16.016 6.765 ( 12.587 4.992 8.554) 16.016 7.381 ( -12.812 -0.868 5.039) 13.794 7.381 ( -12.812 0.868 5.039) 13.794 7.529 ( 10.417 -2.658 3.090) 11.186 7.529 ( 10.417 2.658 3.090) 11.186 7.867 ( 7.462 -9.367 -13.295) 17.894 7.867 ( 7.462 9.367 -13.295) 17.894 8.138 ( 6.631 -4.150 7.935) 11.143 8.138 ( 6.631 4.150 7.935) 11.143 8.661 ( -1.441 -9.593 -3.854) 10.439 8.661 ( -1.441 9.593 -3.854) 10.439 8.999 ( 0.563 -5.573 -8.062) 9.817 8.999 ( 0.563 5.573 -8.062) 9.817 9.139 ( -7.263 -8.477 -2.584) 11.458 9.139 ( -7.263 8.477 -2.584) 11.458 9.343 ( 9.628 -7.780 0.967) 12.416 9.343 ( 9.628 7.780 0.967) 12.416 9.518 ( -1.290 -13.227 -7.553) 15.286 9.518 ( -1.290 13.227 -7.553) 15.286 9.725 ( 9.187 -5.242 -3.079) 11.017 9.725 ( 9.187 5.242 -3.079) 11.017 10.063 ( -4.171 -7.478 0.689) 8.590 10.063 ( -4.171 7.478 0.689) 8.590 10.395 ( -1.922 -10.947 5.487) 12.395 10.395 ( -1.922 10.947 5.487) 12.395 10.767 ( 10.737 -4.889 -4.894) 12.772 10.767 ( 10.737 4.889 -4.894) 12.772 11.022 ( -9.488 -4.869 1.472) 10.766 11.022 ( -9.488 4.869 1.472) 10.766 11.337 ( -6.195 -4.806 -3.186) 8.464 11.337 ( -6.195 4.806 -3.186) 8.464 11.541 ( 0.813 -9.864 -4.115) 10.719 11.541 ( 0.813 9.864 -4.115) 10.719 11.748 ( -4.318 -8.123 -8.821) 12.745 11.748 ( -4.318 8.123 -8.821) 12.745 12.333 ( 1.517 -10.774 -12.507) 16.578 12.333 ( 1.517 10.774 -12.507) 16.578 12.579 ( -2.092 -14.279 -9.458) 17.255 12.579 ( -2.092 14.279 -9.458) 17.255 13.177 ( 5.891 -7.279 -3.610) 10.036 13.177 ( 5.891 7.279 -3.610) 10.036 13.643 ( -10.786 -4.401 -6.991) 13.586 13.643 ( -10.786 4.401 -6.991) 13.586 13.953 ( -1.532 -19.754 -6.835) 20.959 13.953 ( -1.532 19.754 -6.835) 20.959 14.272 ( -6.401 -13.353 0.149) 14.809 14.272 ( -6.401 13.353 0.149) 14.809 14.875 ( 24.245 -7.241 7.052) 26.268 14.875 ( 24.245 7.241 7.052) 26.268 15.545 ( -2.378 -7.442 7.069) 10.536 15.545 ( -2.378 7.442 7.069) 10.536 15.858 ( -4.464 -6.844 6.429) 10.397 15.858 ( -4.464 6.844 6.429) 10.397 16.242 ( -12.808 -9.392 3.910) 16.356 16.242 ( -12.808 9.392 3.910) 16.356 16.547 ( 8.660 -4.950 2.800) 10.360 16.547 ( 8.660 4.950 2.800) 10.360 16.928 ( 1.506 -6.522 -7.444) 10.011 16.928 ( 1.506 6.522 -7.444) 10.011 17.171 ( 2.969 -22.319 5.658) 23.215 17.171 ( 2.969 22.319 5.658) 23.215 17.591 ( -5.700 -22.498 -5.880) 23.942 17.591 ( -5.700 22.498 -5.880) 23.942 18.247 ( -0.955 -3.250 10.271) 10.815 18.247 ( -0.955 3.250 10.271) 10.815 18.392 ( -5.397 -6.457 4.588) 9.585 18.392 ( -5.397 6.457 4.588) 9.585 18.716 ( 4.752 -2.774 8.151) 9.835 18.716 ( 4.752 2.774 8.151) 9.835 18.961 ( -5.732 -8.396 4.891) 11.281 18.961 ( -5.732 8.396 4.891) 11.281 19.653 ( 8.047 -4.335 -5.933) 10.897 19.653 ( 8.047 4.335 -5.933) 10.897 19.844 ( -2.763 -6.242 -8.524) 10.920 19.844 ( -2.763 6.242 -8.524) 10.920 20.402 ( 10.862 -2.443 2.673) 11.450 20.402 ( 10.862 2.443 2.673) 11.450 20.750 ( -5.691 -6.932 -4.414) 9.996 20.750 ( -5.691 6.932 -4.414) 9.996 25.515 ( 2.792 -1.296 -0.986) 3.232 25.515 ( 2.792 1.296 -0.986) 3.232 25.706 ( -5.485 -3.515 -2.681) 7.045 25.706 ( -5.485 3.515 -2.681) 7.045 25.826 ( 3.347 -5.071 -7.420) 9.591 25.826 ( 3.347 5.071 -7.420) 9.591 26.010 ( -5.402 -5.162 -9.180) 11.837 26.010 ( -5.402 5.162 -9.180) 11.837 27.732 ( 7.561 -5.447 4.934) 10.544 27.732 ( 7.561 5.447 4.934) 10.544 27.987 ( -5.161 -3.922 1.492) 6.652 27.987 ( -5.161 3.922 1.492) 6.652 29.646 ( 6.956 -3.792 -1.350) 8.037 29.646 ( 6.956 3.792 -1.350) 8.037 29.920 ( -6.487 -3.871 0.470) 7.569 29.920 ( -6.487 3.871 0.470) 7.569 ======================= Grid point 223 (80/96) ======================= q-point: (-0.50 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.860 ( -10.997 -11.064 6.941) 17.074 4.860 ( 8.543 -10.508 6.941) 15.218 4.860 ( -8.543 10.508 6.941) 15.218 4.860 ( 10.997 11.064 6.941) 17.074 5.404 ( -5.522 -11.047 14.170) 18.797 5.404 ( 5.223 -11.011 14.170) 18.690 5.404 ( -5.223 11.011 14.170) 18.690 5.404 ( 5.522 11.047 14.170) 18.797 5.963 ( -2.770 -3.681 10.738) 11.684 5.963 ( 1.899 -3.540 10.738) 11.465 5.963 ( -1.899 3.540 10.738) 11.465 5.963 ( 2.770 3.681 10.738) 11.684 7.061 ( -15.600 -4.842 9.443) 18.868 7.061 ( -13.145 -2.410 9.443) 16.364 7.061 ( 13.145 2.410 9.443) 16.364 7.061 ( 15.600 4.842 9.443) 18.868 7.766 ( -11.675 -6.589 -1.832) 13.531 7.766 ( 0.998 -3.097 -1.832) 3.734 7.766 ( -0.998 3.097 -1.832) 3.734 7.766 ( 11.675 6.589 -1.832) 13.531 8.450 ( -18.120 -8.396 -1.349) 20.016 8.450 ( -6.868 -0.445 -1.349) 7.013 8.450 ( 6.868 0.445 -1.349) 7.013 8.450 ( 18.120 8.396 -1.349) 20.017 9.030 ( -3.729 -11.130 -8.734) 14.631 9.030 ( 3.711 -11.128 -8.734) 14.625 9.030 ( -3.711 11.128 -8.734) 14.625 9.030 ( 3.729 11.130 -8.734) 14.631 9.480 ( -3.975 -12.558 -2.536) 13.414 9.480 ( 3.919 -12.554 -2.536) 13.393 9.480 ( -3.919 12.554 -2.536) 13.393 9.480 ( 3.975 12.558 -2.536) 13.414 9.937 ( -9.770 -14.999 -0.485) 17.907 9.937 ( 9.261 -14.918 -0.485) 17.565 9.937 ( -9.261 14.918 -0.485) 17.565 9.937 ( 9.770 14.999 -0.485) 17.907 10.548 ( -17.769 -10.510 6.197) 21.554 10.548 ( 1.452 -5.661 6.197) 8.518 10.548 ( -1.452 5.661 6.197) 8.518 10.548 ( 17.769 10.510 6.197) 21.554 11.153 ( -12.441 -11.705 -3.997) 17.543 11.153 ( 4.375 -10.154 -3.997) 11.757 11.153 ( -4.375 10.154 -3.997) 11.757 11.153 ( 12.441 11.705 -3.997) 17.543 11.627 ( -6.379 -5.272 -9.228) 12.395 11.627 ( 2.316 -4.355 -9.228) 10.463 11.627 ( -2.316 4.355 -9.228) 10.463 11.627 ( 6.379 5.272 -9.228) 12.395 12.476 ( -8.866 -18.740 -8.792) 22.519 12.476 ( 8.509 -18.699 -8.792) 22.346 12.476 ( -8.509 18.699 -8.792) 22.346 12.476 ( 8.866 18.740 -8.792) 22.519 13.356 ( -10.463 -8.958 -6.321) 15.155 13.356 ( -4.995 -7.688 -6.321) 11.136 13.356 ( 4.995 7.688 -6.321) 11.136 13.356 ( 10.463 8.958 -6.321) 15.155 14.085 ( -10.621 -18.601 -6.219) 22.305 14.085 ( 9.675 -18.472 -6.219) 21.760 14.085 ( -9.675 18.472 -6.219) 21.760 14.085 ( 10.621 18.601 -6.219) 22.305 15.332 ( -20.406 -8.992 10.986) 24.859 15.332 ( -10.322 1.841 10.986) 15.186 15.332 ( 10.322 -1.841 10.986) 15.186 15.332 ( 20.406 8.992 10.986) 24.859 15.934 ( -11.674 -11.694 3.489) 16.888 15.934 ( 2.958 -10.240 3.489) 11.215 15.934 ( -2.958 10.240 3.489) 11.215 15.934 ( 11.674 11.694 3.489) 16.888 16.791 ( -12.652 -9.782 1.834) 16.097 16.791 ( 10.845 -9.223 1.834) 14.355 16.791 ( -10.845 9.223 1.834) 14.355 16.791 ( 12.652 9.782 1.834) 16.097 17.389 ( -14.180 -24.646 -2.828) 28.575 17.389 ( 13.597 -24.564 -2.828) 28.219 17.389 ( -13.597 24.564 -2.828) 28.219 17.389 ( 14.180 24.646 -2.828) 28.575 18.284 ( -4.705 -5.086 5.276) 8.709 18.284 ( 4.606 -5.064 5.276) 8.643 18.284 ( -4.606 5.064 5.276) 8.643 18.284 ( 4.705 5.086 5.276) 8.709 18.837 ( -5.800 -9.508 6.416) 12.854 18.837 ( 2.929 -9.173 6.416) 11.571 18.837 ( -2.929 9.173 6.416) 11.571 18.837 ( 5.800 9.508 6.416) 12.854 19.773 ( -4.463 -5.837 -7.458) 10.469 19.773 ( 2.948 -5.592 -7.458) 9.776 19.773 ( -2.948 5.592 -7.458) 9.776 19.773 ( 4.463 5.837 -7.458) 10.469 20.604 ( -9.261 -4.889 1.071) 10.527 20.604 ( -1.927 -1.839 1.071) 2.871 20.604 ( 1.927 1.839 1.071) 2.871 20.604 ( 9.261 4.889 1.071) 10.527 25.597 ( -4.178 -4.241 -2.897) 6.621 25.597 ( -1.108 -3.732 -2.897) 4.853 25.597 ( 1.108 3.732 -2.897) 4.853 25.597 ( 4.178 4.241 -2.897) 6.621 25.907 ( -4.969 -5.826 -8.564) 11.488 25.907 ( 4.326 -5.696 -8.564) 11.158 25.907 ( -4.326 5.696 -8.564) 11.158 25.907 ( 4.969 5.826 -8.564) 11.488 27.872 ( -4.837 -9.209 3.694) 11.038 27.872 ( 1.034 -8.900 3.694) 9.692 27.872 ( -1.034 8.900 3.694) 9.692 27.872 ( 4.837 9.209 3.694) 11.038 29.785 ( -3.302 -16.628 -0.355) 16.957 29.785 ( 0.226 -16.546 -0.355) 16.552 29.785 ( -0.226 16.546 -0.355) 16.552 29.785 ( 3.302 16.628 -0.355) 16.957 ======================= Grid point 245 (81/96) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.709 ( 0.000 0.000 21.601) 21.601 5.019 ( 0.000 0.000 -11.662) 11.662 5.152 ( 0.000 0.000 38.098) 38.098 5.465 ( 0.000 0.000 9.944) 9.944 5.576 ( 0.000 0.000 -1.774) 1.774 5.712 ( 0.000 0.000 -13.769) 13.769 5.811 ( 0.000 0.000 8.705) 8.705 5.917 ( 0.000 0.000 -1.610) 1.610 5.960 ( 0.000 0.000 9.163) 9.163 6.037 ( 0.000 0.000 2.048) 2.048 6.377 ( 0.000 0.000 -4.759) 4.759 6.478 ( 0.000 0.000 -9.004) 9.004 6.664 ( 0.000 0.000 12.018) 12.018 6.896 ( 0.000 0.000 -10.881) 10.881 7.081 ( 0.000 0.000 -3.028) 3.028 7.136 ( 0.000 0.000 -5.493) 5.493 7.156 ( 0.000 0.000 7.439) 7.439 7.358 ( 0.000 0.000 -5.758) 5.758 7.617 ( 0.000 0.000 13.575) 13.575 7.890 ( 0.000 0.000 17.840) 17.840 7.995 ( 0.000 0.000 -22.715) 22.715 8.039 ( 0.000 0.000 -0.078) 0.078 8.098 ( 0.000 0.000 5.993) 5.993 8.306 ( 0.000 0.000 -10.430) 10.430 8.584 ( 0.000 0.000 2.536) 2.536 8.634 ( 0.000 0.000 -2.922) 2.922 8.751 ( 0.000 0.000 14.982) 14.982 8.916 ( 0.000 0.000 7.620) 7.620 9.036 ( 0.000 0.000 -10.954) 10.954 9.112 ( 0.000 0.000 -12.118) 12.118 9.297 ( 0.000 0.000 16.234) 16.234 9.537 ( 0.000 0.000 -6.380) 6.380 9.837 ( 0.000 0.000 5.411) 5.411 9.890 ( 0.000 0.000 9.544) 9.544 9.963 ( 0.000 0.000 -7.544) 7.544 10.120 ( 0.000 0.000 -0.690) 0.690 10.234 ( 0.000 0.000 7.393) 7.393 10.371 ( 0.000 0.000 -7.085) 7.085 10.423 ( 0.000 0.000 -10.998) 10.998 10.716 ( 0.000 0.000 -26.183) 26.183 10.872 ( 0.000 0.000 3.362) 3.362 10.895 ( 0.000 0.000 10.363) 10.363 11.288 ( 0.000 0.000 1.225) 1.225 11.339 ( 0.000 0.000 19.593) 19.593 11.685 ( 0.000 0.000 -30.219) 30.219 11.826 ( 0.000 0.000 -27.809) 27.809 12.027 ( 0.000 0.000 1.479) 1.479 12.114 ( 0.000 0.000 -6.103) 6.103 12.579 ( 0.000 0.000 4.076) 4.076 12.676 ( 0.000 0.000 -5.727) 5.727 12.986 ( 0.000 0.000 19.382) 19.382 13.256 ( 0.000 0.000 -3.738) 3.738 13.560 ( 0.000 0.000 13.857) 13.857 13.644 ( 0.000 0.000 -6.530) 6.530 13.665 ( 0.000 0.000 -6.413) 6.413 13.806 ( 0.000 0.000 10.205) 10.205 13.878 ( 0.000 0.000 11.437) 11.437 13.893 ( 0.000 0.000 1.739) 1.739 14.114 ( 0.000 0.000 -10.600) 10.600 14.357 ( 0.000 0.000 -23.889) 23.889 14.994 ( 0.000 0.000 20.391) 20.391 15.232 ( 0.000 0.000 16.747) 16.747 15.364 ( 0.000 0.000 -16.401) 16.401 15.511 ( 0.000 0.000 -6.242) 6.242 15.756 ( 0.000 0.000 0.701) 0.701 15.787 ( 0.000 0.000 6.119) 6.119 15.795 ( 0.000 0.000 7.771) 7.771 15.879 ( 0.000 0.000 -6.456) 6.456 16.377 ( 0.000 0.000 12.595) 12.595 16.530 ( 0.000 0.000 12.320) 12.320 16.765 ( 0.000 0.000 -10.767) 10.767 16.780 ( 0.000 0.000 -24.256) 24.256 17.404 ( 0.000 0.000 14.520) 14.520 17.554 ( 0.000 0.000 0.744) 0.744 17.681 ( 0.000 0.000 7.330) 7.330 17.841 ( 0.000 0.000 0.568) 0.568 17.847 ( 0.000 0.000 -9.602) 9.602 17.899 ( 0.000 0.000 -5.702) 5.702 18.356 ( 0.000 0.000 2.556) 2.556 18.408 ( 0.000 0.000 -3.370) 3.370 18.900 ( 0.000 0.000 18.224) 18.224 19.064 ( 0.000 0.000 16.246) 16.246 19.067 ( 0.000 0.000 8.873) 8.873 19.226 ( 0.000 0.000 -14.784) 14.784 19.249 ( 0.000 0.000 12.363) 12.363 19.478 ( 0.000 0.000 -10.753) 10.753 19.599 ( 0.000 0.000 -10.151) 10.151 19.702 ( 0.000 0.000 -12.882) 12.882 20.177 ( 0.000 0.000 1.334) 1.334 20.321 ( 0.000 0.000 -11.021) 11.021 20.402 ( 0.000 0.000 20.668) 20.668 20.782 ( 0.000 0.000 -17.473) 17.473 25.613 ( 0.000 0.000 4.473) 4.473 25.653 ( 0.000 0.000 1.807) 1.807 25.733 ( 0.000 0.000 3.966) 3.966 25.830 ( 0.000 0.000 1.817) 1.817 25.831 ( 0.000 0.000 -4.427) 4.427 25.835 ( 0.000 0.000 1.356) 1.356 26.257 ( 0.000 0.000 -2.341) 2.341 26.281 ( 0.000 0.000 -4.612) 4.612 27.306 ( 0.000 0.000 5.307) 5.307 27.432 ( 0.000 0.000 -7.519) 7.519 28.509 ( 0.000 0.000 1.609) 1.609 28.600 ( 0.000 0.000 -7.697) 7.697 28.697 ( 0.000 0.000 5.258) 5.258 28.782 ( 0.000 0.000 -3.125) 3.125 30.295 ( 0.000 0.000 4.026) 4.026 30.365 ( 0.000 0.000 -3.489) 3.489 ======================= Grid point 246 (82/96) ======================= q-point: ( 0.17 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.671 ( -3.542 0.000 18.609) 18.943 4.915 ( -9.382 0.000 -7.509) 12.017 5.089 ( -4.515 0.000 37.745) 38.014 5.516 ( 3.798 0.000 11.425) 12.040 5.623 ( 4.435 0.000 -5.148) 6.795 5.690 ( -2.642 0.000 -15.203) 15.430 5.804 ( -3.856 0.000 5.599) 6.798 5.880 ( 2.679 0.000 -0.081) 2.680 5.996 ( -0.148 0.000 7.311) 7.312 6.066 ( -21.326 0.000 11.727) 24.338 6.093 ( 5.199 0.000 -0.370) 5.212 6.415 ( -11.337 0.000 -20.986) 23.852 6.667 ( 1.206 0.000 12.022) 12.082 6.897 ( -0.139 0.000 -11.571) 11.572 7.101 ( 7.354 0.000 11.830) 13.929 7.185 ( 2.704 0.000 6.129) 6.699 7.317 ( 10.366 0.000 -8.619) 13.481 7.366 ( -0.601 0.000 -8.638) 8.659 7.657 ( 5.159 0.000 7.556) 9.149 7.976 ( 3.917 0.000 11.748) 12.383 7.980 ( -1.538 0.000 -21.713) 21.767 8.103 ( 6.273 0.000 0.532) 6.296 8.180 ( 12.960 0.000 14.828) 19.694 8.508 ( 17.719 0.000 -11.385) 21.062 8.585 ( 0.300 0.000 1.476) 1.506 8.622 ( -0.546 0.000 -2.772) 2.825 8.702 ( -5.185 0.000 14.466) 15.367 8.901 ( -1.799 0.000 8.136) 8.332 8.984 ( -5.220 0.000 -12.758) 13.784 9.102 ( -1.538 0.000 -12.079) 12.177 9.323 ( 2.678 0.000 13.465) 13.729 9.509 ( -3.757 0.000 -2.580) 4.558 9.895 ( 1.617 0.000 9.088) 9.231 9.983 ( 13.561 0.000 11.353) 17.686 10.081 ( 6.781 0.000 -1.032) 6.860 10.087 ( -13.775 0.000 10.570) 17.363 10.145 ( 8.978 0.000 -10.054) 13.479 10.277 ( -10.562 0.000 -8.795) 13.745 10.514 ( 8.929 0.000 -8.450) 12.293 10.648 ( -7.354 0.000 3.683) 8.224 10.763 ( 5.085 0.000 -26.005) 26.497 10.819 ( -12.891 0.000 -13.342) 18.552 11.350 ( 1.270 0.000 16.638) 16.686 11.513 ( 21.314 0.000 19.890) 29.153 11.794 ( -4.104 0.000 -26.458) 26.774 11.953 ( -7.982 0.000 1.582) 8.137 11.984 ( 21.268 0.000 -26.535) 34.006 12.028 ( -8.764 0.000 -6.033) 10.640 12.461 ( -10.392 0.000 5.092) 11.573 12.597 ( -7.105 0.000 -8.655) 11.197 12.647 ( -25.365 0.000 19.318) 31.884 13.018 ( -23.039 0.000 -17.338) 28.834 13.501 ( -6.314 0.000 7.882) 10.099 13.616 ( 6.098 0.000 14.010) 15.280 13.685 ( -5.922 0.000 -10.311) 11.891 13.867 ( 5.619 0.000 -6.474) 8.573 14.058 ( 16.826 0.000 18.132) 24.736 14.101 ( 18.901 0.000 15.009) 24.135 14.375 ( 19.263 0.000 -12.321) 22.867 14.513 ( 14.597 0.000 -22.581) 26.888 14.871 ( -12.149 0.000 21.425) 24.630 15.163 ( -3.767 0.000 16.377) 16.805 15.268 ( -9.301 0.000 -18.110) 20.359 15.477 ( -3.620 0.000 -14.342) 14.792 15.714 ( -9.712 0.000 14.364) 17.339 15.817 ( 1.888 0.000 3.290) 3.793 15.862 ( 12.501 0.000 11.264) 16.827 16.050 ( 11.987 0.000 -7.857) 14.333 16.246 ( -7.308 0.000 3.306) 8.021 16.458 ( -18.926 0.000 -17.025) 25.456 16.631 ( 5.395 0.000 14.240) 15.227 16.909 ( 2.508 0.000 -14.043) 14.265 16.970 ( -25.787 0.000 12.789) 28.785 17.182 ( -25.596 0.000 -8.537) 26.983 17.766 ( 7.889 0.000 5.941) 9.876 17.904 ( 5.274 0.000 -8.288) 9.824 18.098 ( 10.494 0.000 4.853) 11.562 18.164 ( 3.196 0.000 -1.943) 3.740 18.365 ( 4.137 0.000 2.392) 4.779 18.380 ( 3.959 0.000 1.881) 4.383 18.884 ( -1.553 0.000 16.907) 16.979 19.048 ( 3.125 0.000 16.255) 16.553 19.074 ( -7.909 0.000 2.397) 8.264 19.220 ( 11.170 0.000 1.608) 11.285 19.418 ( 9.220 0.000 -4.485) 10.253 19.515 ( 3.768 0.000 -9.806) 10.505 19.575 ( -2.368 0.000 -5.372) 5.870 19.716 ( 0.922 0.000 -13.265) 13.297 20.187 ( 1.284 0.000 1.265) 1.802 20.319 ( -0.189 0.000 -10.710) 10.711 20.404 ( 0.430 0.000 18.601) 18.606 20.746 ( -3.729 0.000 -15.808) 16.242 25.573 ( -2.688 0.000 4.317) 5.086 25.642 ( -2.566 0.000 -2.221) 3.394 25.707 ( -1.119 0.000 6.244) 6.344 25.832 ( 0.148 0.000 1.799) 1.805 25.833 ( -0.987 0.000 -5.717) 5.802 25.836 ( 0.083 0.000 1.396) 1.398 26.239 ( -1.174 0.000 -0.519) 1.284 26.282 ( -0.236 0.000 -4.534) 4.540 27.358 ( 4.969 0.000 4.726) 6.857 27.468 ( 3.285 0.000 -6.473) 7.259 28.511 ( 0.263 0.000 0.982) 1.017 28.590 ( -0.998 0.000 -7.079) 7.149 28.673 ( -2.195 0.000 5.169) 5.616 28.752 ( -2.972 0.000 -2.713) 4.024 30.308 ( 1.265 0.000 3.585) 3.801 30.371 ( 0.477 0.000 -3.144) 3.180 ======================= Grid point 247 (83/96) ======================= q-point: ( 0.33 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.607 ( -2.311 0.000 12.079) 12.298 4.730 ( -8.860 0.000 -1.214) 8.942 5.051 ( 1.697 0.000 35.234) 35.275 5.455 ( -14.680 0.000 14.009) 20.292 5.657 ( 3.438 0.000 -6.278) 7.158 5.730 ( 6.473 0.000 -8.108) 10.375 5.756 ( -0.594 0.000 5.073) 5.108 5.792 ( -5.846 0.000 9.768) 11.384 5.861 ( -4.303 0.000 -4.924) 6.539 6.054 ( 5.697 0.000 8.130) 9.927 6.146 ( -14.976 0.000 -21.845) 26.486 6.166 ( 1.725 0.000 -1.705) 2.425 6.727 ( 4.927 0.000 13.354) 14.234 6.889 ( -1.410 0.000 -1.261) 1.892 7.232 ( 2.223 0.000 0.659) 2.319 7.288 ( 10.258 0.000 12.217) 15.953 7.331 ( -2.682 0.000 -7.887) 8.330 7.437 ( 2.759 0.000 -3.204) 4.228 7.803 ( 7.810 0.000 -3.802) 8.686 7.940 ( -2.451 0.000 -16.666) 16.846 8.049 ( 5.392 0.000 8.994) 10.487 8.218 ( 4.718 0.000 -7.608) 8.952 8.452 ( 5.381 0.000 20.293) 20.994 8.608 ( 0.127 0.000 11.984) 11.985 8.609 ( 2.793 0.000 0.864) 2.923 8.656 ( 5.094 0.000 -4.465) 6.774 8.787 ( 6.488 0.000 -2.565) 6.977 8.839 ( -4.720 0.000 7.262) 8.661 8.985 ( 12.901 0.000 -14.080) 19.097 9.030 ( -6.743 0.000 -11.656) 13.466 9.325 ( -7.049 0.000 8.084) 10.726 9.414 ( -3.306 0.000 2.116) 3.925 9.845 ( -8.791 0.000 6.906) 11.179 9.918 ( 0.784 0.000 6.042) 6.092 10.004 ( -4.439 0.000 -1.570) 4.708 10.007 ( -15.037 0.000 -9.268) 17.664 10.471 ( 28.495 0.000 13.174) 31.393 10.499 ( 22.408 0.000 1.470) 22.456 10.581 ( -1.106 0.000 -1.786) 2.101 10.647 ( -5.383 0.000 -8.770) 10.290 10.700 ( 9.203 0.000 -9.470) 13.205 10.926 ( 12.767 0.000 -24.441) 27.574 11.395 ( 3.356 0.000 8.023) 8.696 11.614 ( -16.017 0.000 -10.881) 19.364 11.703 ( -17.415 0.000 3.088) 17.686 11.851 ( -10.288 0.000 -10.293) 14.553 11.875 ( 14.855 0.000 20.077) 24.975 12.210 ( -16.153 0.000 11.526) 19.844 12.255 ( -10.427 0.000 7.279) 12.717 12.315 ( 12.218 0.000 -20.887) 24.199 12.484 ( -3.318 0.000 -14.366) 14.744 12.570 ( -23.204 0.000 -20.111) 30.706 13.392 ( -4.027 0.000 4.216) 5.830 13.511 ( -9.887 0.000 -7.817) 12.604 13.795 ( 12.854 0.000 14.672) 19.506 14.041 ( 11.891 0.000 -8.328) 14.517 14.422 ( 16.657 0.000 16.585) 23.505 14.446 ( 15.158 0.000 10.556) 18.471 14.586 ( -13.444 0.000 20.988) 24.925 14.636 ( 6.712 0.000 -9.207) 11.394 14.787 ( 6.968 0.000 -12.432) 14.252 15.117 ( 1.422 0.000 -24.149) 24.191 15.166 ( 4.842 0.000 16.154) 16.864 15.413 ( -20.622 0.000 18.939) 27.999 15.448 ( -0.272 0.000 -10.231) 10.234 15.767 ( -11.409 0.000 -12.404) 16.853 16.018 ( -1.483 0.000 11.716) 11.809 16.150 ( -7.122 0.000 -2.228) 7.462 16.170 ( -3.469 0.000 -1.041) 3.621 16.188 ( 1.082 0.000 -4.539) 4.666 16.714 ( 0.097 0.000 4.799) 4.800 16.721 ( 4.511 0.000 8.659) 9.763 16.844 ( -4.990 0.000 -8.367) 9.742 16.894 ( -3.298 0.000 -8.272) 8.906 17.928 ( 8.012 0.000 2.954) 8.540 17.994 ( -12.178 0.000 3.999) 12.818 18.004 ( 4.216 0.000 -4.981) 6.525 18.052 ( -9.996 0.000 -2.115) 10.217 18.504 ( 5.891 0.000 4.620) 7.487 18.528 ( 5.687 0.000 1.375) 5.851 18.853 ( -1.212 0.000 13.906) 13.959 18.941 ( -6.036 0.000 6.629) 8.965 19.186 ( 10.361 0.000 15.795) 18.890 19.435 ( 8.486 0.000 2.066) 8.733 19.520 ( -1.914 0.000 -4.796) 5.164 19.562 ( 5.752 0.000 -5.226) 7.771 19.602 ( 4.295 0.000 -8.883) 9.866 19.711 ( -2.000 0.000 -12.293) 12.454 20.232 ( 3.311 0.000 -0.593) 3.364 20.314 ( -0.484 0.000 -8.531) 8.545 20.432 ( 2.940 0.000 11.207) 11.586 20.647 ( -6.405 0.000 -10.459) 12.264 25.542 ( -0.309 0.000 2.264) 2.285 25.585 ( -2.461 0.000 -1.524) 2.894 25.692 ( -0.541 0.000 2.166) 2.232 25.779 ( -4.251 0.000 -5.993) 7.347 25.835 ( 0.176 0.000 1.738) 1.747 25.837 ( 0.056 0.000 1.501) 1.502 26.231 ( 0.374 0.000 1.069) 1.132 26.270 ( -0.981 0.000 -2.893) 3.055 27.463 ( 5.291 0.000 2.808) 5.990 27.528 ( 2.254 0.000 -3.767) 4.390 28.520 ( 0.726 0.000 -0.730) 1.030 28.566 ( -1.463 0.000 -5.386) 5.581 28.635 ( -1.286 0.000 4.081) 4.279 28.686 ( -3.476 0.000 -1.149) 3.661 30.337 ( 1.611 0.000 2.213) 2.737 30.376 ( -0.126 0.000 -1.913) 1.917 ======================= Grid point 248 (84/96) ======================= q-point: (-0.50 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.612 ( -3.271 0.000 5.162) 6.111 4.612 ( 3.271 0.000 5.162) 6.111 5.177 ( -11.641 0.000 27.005) 29.407 5.177 ( 11.641 0.000 27.005) 29.407 5.726 ( -2.981 0.000 2.594) 3.951 5.726 ( 2.981 0.000 2.594) 3.951 5.783 ( -3.210 0.000 1.026) 3.370 5.783 ( 3.210 0.000 1.026) 3.370 5.894 ( -11.147 0.000 -17.606) 20.838 5.894 ( 11.147 0.000 -17.606) 20.838 6.148 ( -3.404 0.000 1.481) 3.712 6.148 ( 3.404 0.000 1.481) 3.712 6.828 ( -4.911 0.000 9.910) 11.061 6.828 ( 4.911 0.000 9.910) 11.061 7.277 ( -2.720 0.000 -4.139) 4.953 7.277 ( 2.720 0.000 -4.139) 4.953 7.430 ( -3.947 0.000 1.477) 4.215 7.430 ( 3.947 0.000 1.477) 4.215 7.895 ( -2.606 0.000 -7.732) 8.160 7.895 ( 2.606 0.000 -7.732) 8.160 8.181 ( -7.407 0.000 2.375) 7.779 8.181 ( 7.407 0.000 2.375) 7.779 8.524 ( -7.297 0.000 6.322) 9.655 8.524 ( 7.297 0.000 6.322) 9.655 8.695 ( -5.326 0.000 3.273) 6.251 8.695 ( 5.326 0.000 3.273) 6.251 8.854 ( -10.078 0.000 -9.071) 13.559 8.854 ( 10.078 0.000 -9.071) 13.559 9.040 ( -15.258 0.000 10.064) 18.278 9.040 ( 15.258 0.000 10.064) 18.278 9.301 ( -10.233 0.000 -7.496) 12.685 9.301 ( 10.233 0.000 -7.496) 12.685 9.806 ( -4.809 0.000 -2.014) 5.214 9.806 ( 4.809 0.000 -2.014) 5.214 9.938 ( -1.982 0.000 3.923) 4.396 9.938 ( 1.982 0.000 3.923) 4.396 10.586 ( -1.569 0.000 -5.027) 5.266 10.586 ( 1.569 0.000 -5.027) 5.266 10.742 ( -3.889 0.000 -2.042) 4.393 10.742 ( 3.889 0.000 -2.042) 4.393 11.092 ( -21.398 0.000 3.802) 21.733 11.092 ( 21.398 0.000 3.802) 21.733 11.300 ( -7.970 0.000 -9.734) 12.581 11.300 ( 7.970 0.000 -9.734) 12.581 11.609 ( -10.762 0.000 6.607) 12.629 11.609 ( 10.762 0.000 6.607) 12.629 12.079 ( -8.580 0.000 12.955) 15.538 12.079 ( 8.580 0.000 12.955) 15.538 12.198 ( -12.988 0.000 -16.673) 21.135 12.198 ( 12.988 0.000 -16.673) 21.135 12.447 ( -2.866 0.000 -16.790) 17.033 12.447 ( 2.866 0.000 -16.790) 17.033 13.381 ( -3.186 0.000 -1.640) 3.584 13.381 ( 3.186 0.000 -1.640) 3.584 14.072 ( -13.443 0.000 12.365) 18.265 14.072 ( 13.443 0.000 12.365) 18.265 14.485 ( -11.114 0.000 -2.591) 11.412 14.485 ( 11.114 0.000 -2.591) 11.412 14.639 ( -5.398 0.000 -1.929) 5.732 14.639 ( 5.398 0.000 -1.929) 5.732 14.997 ( -21.425 0.000 15.848) 26.650 14.997 ( 21.425 0.000 15.848) 26.650 15.339 ( -11.119 0.000 12.040) 16.388 15.339 ( 11.119 0.000 12.040) 16.388 15.413 ( -21.628 0.000 -23.127) 31.664 15.413 ( 21.628 0.000 -23.127) 31.664 16.057 ( -9.168 0.000 -4.603) 10.258 16.057 ( 9.168 0.000 -4.603) 10.258 16.129 ( -1.945 0.000 3.443) 3.954 16.129 ( 1.945 0.000 3.443) 3.954 16.811 ( -4.938 0.000 -0.544) 4.967 16.811 ( 4.938 0.000 -0.544) 4.967 16.828 ( -5.238 0.000 0.196) 5.242 16.828 ( 5.238 0.000 0.196) 5.242 17.885 ( -3.415 0.000 -0.186) 3.420 17.885 ( 3.415 0.000 -0.186) 3.420 18.029 ( -2.072 0.000 -0.929) 2.271 18.029 ( 2.072 0.000 -0.929) 2.271 18.566 ( -0.899 0.000 2.495) 2.652 18.566 ( 0.899 0.000 2.495) 2.652 18.859 ( -2.269 0.000 10.378) 10.623 18.859 ( 2.269 0.000 10.378) 10.623 19.374 ( -8.424 0.000 13.407) 15.834 19.374 ( 8.424 0.000 13.407) 15.834 19.630 ( -6.633 0.000 -11.918) 13.639 19.630 ( 6.633 0.000 -11.918) 13.639 19.633 ( -1.371 0.000 -6.195) 6.345 19.633 ( 1.371 0.000 -6.195) 6.345 20.290 ( -2.284 0.000 -4.463) 5.014 20.290 ( 2.284 0.000 -4.463) 5.014 20.522 ( -6.284 0.000 -0.679) 6.320 20.522 ( 6.284 0.000 -0.679) 6.320 25.554 ( -1.168 0.000 -0.039) 1.169 25.554 ( 1.168 0.000 -0.039) 1.169 25.706 ( -2.569 0.000 -2.734) 3.752 25.706 ( 2.569 0.000 -2.734) 3.752 25.837 ( -0.071 0.000 1.631) 1.632 25.837 ( 0.071 0.000 1.631) 1.632 26.248 ( -1.222 0.000 -0.291) 1.256 26.248 ( 1.222 0.000 -0.291) 1.256 27.534 ( -1.799 0.000 -0.296) 1.823 27.534 ( 1.799 0.000 -0.296) 1.823 28.539 ( -1.265 0.000 -3.063) 3.314 28.539 ( 1.265 0.000 -3.063) 3.314 28.636 ( -1.497 0.000 1.538) 2.146 28.636 ( 1.497 0.000 1.538) 2.146 30.364 ( -1.102 0.000 0.126) 1.109 30.364 ( 1.102 0.000 0.126) 1.109 ======================= Grid point 252 (85/96) ======================= q-point: ( 0.00 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.772 ( 0.000 5.057 21.187) 21.783 5.068 ( 0.000 3.890 -10.824) 11.502 5.195 ( 0.000 2.273 34.103) 34.179 5.281 ( 0.000 -10.937 6.739) 12.847 5.365 ( 0.000 -11.107 2.402) 11.364 5.706 ( 0.000 0.198 -7.823) 7.825 5.893 ( 0.000 4.611 7.168) 8.523 5.988 ( 0.000 1.577 -1.005) 1.870 6.163 ( 0.000 15.368 7.271) 17.001 6.217 ( 0.000 15.262 1.336) 15.320 6.383 ( 0.000 -0.411 -4.241) 4.261 6.448 ( 0.000 -2.712 -6.220) 6.786 6.692 ( 0.000 2.215 15.415) 15.573 6.768 ( 0.000 -10.748 3.567) 11.325 6.994 ( 0.000 -6.667 -9.686) 11.759 7.036 ( 0.000 -0.435 -14.075) 14.082 7.310 ( 0.000 7.453 8.173) 11.060 7.491 ( 0.000 7.091 -2.277) 7.448 7.524 ( 0.000 -6.276 9.091) 11.047 7.797 ( 0.000 -6.379 -11.059) 12.767 7.967 ( 0.000 -1.717 9.220) 9.379 8.179 ( 0.000 11.724 -3.573) 12.257 8.205 ( 0.000 8.201 -4.021) 9.134 8.262 ( 0.000 -3.575 -9.201) 9.871 8.678 ( 0.000 8.661 6.387) 10.761 8.716 ( 0.000 9.554 1.419) 9.659 8.756 ( 0.000 0.145 11.320) 11.320 8.927 ( 0.000 1.889 0.710) 2.018 9.030 ( 0.000 -0.185 -5.394) 5.397 9.100 ( 0.000 0.975 -2.024) 2.246 9.381 ( 0.000 5.636 2.876) 6.327 9.518 ( 0.000 -2.308 -5.842) 6.282 9.846 ( 0.000 -3.328 10.679) 11.186 9.961 ( 0.000 11.518 4.985) 12.550 10.001 ( 0.000 -2.084 3.780) 4.316 10.099 ( 0.000 4.778 -7.335) 8.755 10.338 ( 0.000 5.205 -9.103) 10.486 10.405 ( 0.000 -1.616 -11.186) 11.303 10.467 ( 0.000 6.744 0.615) 6.772 10.685 ( 0.000 1.593 -16.165) 16.243 10.838 ( 0.000 -2.609 6.225) 6.750 10.930 ( 0.000 2.667 9.185) 9.564 11.206 ( 0.000 -6.275 5.471) 8.325 11.404 ( 0.000 2.513 9.304) 9.638 11.582 ( 0.000 -9.596 -24.395) 26.215 11.807 ( 0.000 -5.073 -24.577) 25.095 12.015 ( 0.000 0.206 1.172) 1.190 12.118 ( 0.000 0.782 -7.121) 7.164 12.518 ( 0.000 -13.549 -1.663) 13.650 12.529 ( 0.000 -5.198 -2.960) 5.982 12.886 ( 0.000 -12.448 8.886) 15.295 12.932 ( 0.000 -24.377 2.395) 24.495 13.313 ( 0.000 -15.876 4.064) 16.388 13.522 ( 0.000 -1.296 -13.008) 13.072 13.678 ( 0.000 -6.767 15.182) 16.621 13.738 ( 0.000 -3.146 14.689) 15.022 13.856 ( 0.000 2.453 1.753) 3.015 13.995 ( 0.000 -2.334 -13.903) 14.098 14.304 ( 0.000 10.277 2.490) 10.574 14.485 ( 0.000 6.708 -13.749) 15.298 14.882 ( 0.000 1.049 9.138) 9.198 15.077 ( 0.000 1.366 -4.870) 5.058 15.166 ( 0.000 -19.199 2.372) 19.345 15.247 ( 0.000 -17.209 -0.597) 17.219 15.915 ( 0.000 6.035 11.955) 13.392 16.003 ( 0.000 14.141 6.690) 15.643 16.185 ( 0.000 28.679 -0.786) 28.690 16.230 ( 0.000 11.874 -4.614) 12.739 16.399 ( 0.000 15.166 10.287) 18.326 16.521 ( 0.000 -0.059 11.264) 11.265 16.730 ( 0.000 -3.202 -10.126) 10.620 16.754 ( 0.000 -0.269 -19.992) 19.994 17.117 ( 0.000 -23.155 0.735) 23.167 17.139 ( 0.000 -16.689 -2.873) 16.934 17.806 ( 0.000 -1.973 3.692) 4.186 17.858 ( 0.000 -0.044 -1.202) 1.202 18.114 ( 0.000 19.213 8.369) 20.957 18.209 ( 0.000 21.938 -1.484) 21.988 18.371 ( 0.000 1.669 1.833) 2.479 18.420 ( 0.000 3.590 -3.781) 5.214 18.925 ( 0.000 1.952 18.097) 18.202 19.018 ( 0.000 -4.315 15.266) 15.864 19.060 ( 0.000 -0.091 5.781) 5.782 19.205 ( 0.000 -3.128 8.157) 8.737 19.233 ( 0.000 -0.325 -12.899) 12.904 19.408 ( 0.000 -6.509 -9.696) 11.678 19.694 ( 0.000 7.316 -7.339) 10.363 19.767 ( 0.000 4.697 -11.591) 12.506 20.164 ( 0.000 -0.332 0.378) 0.503 20.256 ( 0.000 -5.638 -8.320) 10.050 20.420 ( 0.000 1.780 17.305) 17.396 20.774 ( 0.000 -1.119 -17.208) 17.245 25.597 ( 0.000 -1.543 3.467) 3.795 25.622 ( 0.000 -3.175 0.860) 3.289 25.717 ( 0.000 -0.009 6.431) 6.431 25.766 ( 0.000 -4.287 2.372) 4.900 25.846 ( 0.000 -0.158 -2.085) 2.091 25.851 ( 0.000 0.573 -3.645) 3.690 26.193 ( 0.000 -7.716 -4.048) 8.714 26.198 ( 0.000 -5.723 -4.345) 7.185 27.368 ( 0.000 5.873 5.527) 8.065 27.480 ( 0.000 4.474 -5.960) 7.452 28.339 ( 0.000 -10.781 1.171) 10.844 28.375 ( 0.000 -11.691 -2.145) 11.886 28.975 ( 0.000 16.553 0.146) 16.554 29.009 ( 0.000 15.969 -2.694) 16.195 30.252 ( 0.000 -4.204 3.390) 5.401 30.309 ( 0.000 -5.408 -2.797) 6.088 ======================= Grid point 253 (86/96) ======================= q-point: ( 0.17 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.732 ( -3.562 4.924 18.246) 19.231 4.942 ( -10.039 2.343 -2.452) 10.596 5.111 ( -4.685 1.229 26.854) 27.288 5.383 ( 4.050 -13.496 -1.689) 14.192 5.417 ( 5.652 -4.957 8.676) 11.479 5.692 ( -1.919 0.471 -11.091) 11.266 5.933 ( 0.065 4.295 5.938) 7.328 5.957 ( -2.395 4.933 7.175) 9.030 6.057 ( -16.973 2.710 10.571) 20.178 6.135 ( -0.364 4.695 2.021) 5.124 6.211 ( -5.568 12.019 -2.389) 13.460 6.377 ( -9.727 -4.099 -13.391) 17.051 6.702 ( 1.667 3.156 10.701) 11.281 6.842 ( 1.868 -4.437 -6.953) 8.457 7.016 ( 11.832 -3.721 10.284) 16.112 7.264 ( 8.105 4.666 -0.727) 9.380 7.316 ( 5.940 2.766 -6.293) 9.085 7.445 ( -1.319 1.419 -6.110) 6.410 7.610 ( 4.754 -1.605 6.148) 7.936 7.875 ( 4.536 -5.859 -14.984) 16.716 8.037 ( 1.360 2.726 7.436) 8.036 8.165 ( 5.273 0.550 -0.821) 5.365 8.209 ( 6.487 6.738 7.913) 12.252 8.503 ( 17.626 -0.257 -11.941) 21.292 8.583 ( -6.420 2.962 8.535) 11.083 8.691 ( -2.489 8.706 -2.317) 9.347 8.807 ( 0.730 8.179 5.735) 10.016 8.959 ( 2.104 2.553 -1.212) 3.523 9.030 ( 0.759 5.594 -2.931) 6.361 9.120 ( 2.818 2.509 -0.214) 3.779 9.397 ( 0.644 5.328 2.731) 6.021 9.484 ( -3.846 -2.341 -0.334) 4.514 9.828 ( -1.914 -6.088 7.567) 9.898 9.890 ( -7.693 -6.302 8.263) 12.929 10.091 ( 10.195 5.774 -1.723) 11.843 10.162 ( 3.135 4.454 -2.631) 6.049 10.258 ( -9.232 0.452 -2.621) 9.608 10.352 ( 3.844 10.470 -8.200) 13.843 10.566 ( 6.164 3.693 -5.955) 9.332 10.647 ( -5.631 -0.960 -1.937) 6.031 10.720 ( 1.024 4.339 -5.990) 7.467 10.911 ( -5.327 4.554 -16.739) 18.147 11.353 ( 0.024 -0.435 11.433) 11.441 11.409 ( 16.999 -10.352 15.113) 24.991 11.768 ( -0.074 -4.538 -17.794) 18.364 11.822 ( 9.055 -12.551 -11.460) 19.257 11.987 ( -3.473 0.643 -3.449) 4.936 12.049 ( -6.523 1.610 -6.952) 9.668 12.440 ( -5.884 -1.348 -3.161) 6.814 12.491 ( -6.138 -8.585 -5.736) 12.012 12.614 ( -19.625 -5.647 12.172) 23.774 12.840 ( -11.200 -21.727 -6.580) 25.314 13.133 ( -10.439 -15.285 4.397) 19.025 13.327 ( -9.934 -12.854 -13.632) 21.207 13.800 ( 7.232 -6.523 11.530) 15.093 13.856 ( 0.629 -0.024 3.121) 3.184 14.050 ( 25.367 -1.613 16.102) 30.089 14.224 ( 0.670 0.187 6.504) 6.542 14.376 ( 20.169 -1.134 -12.754) 23.891 14.478 ( -2.201 -5.605 -11.795) 13.243 14.829 ( -3.193 9.870 10.481) 14.747 15.078 ( 1.977 6.210 -13.641) 15.118 15.212 ( 3.935 -13.886 6.895) 15.995 15.310 ( 4.197 -17.902 -1.522) 18.450 15.857 ( -6.044 11.331 10.775) 16.764 15.938 ( -8.870 13.184 3.717) 16.319 16.120 ( -4.214 11.756 9.393) 15.626 16.299 ( 2.676 9.848 3.658) 10.841 16.368 ( 3.028 24.959 -6.408) 25.946 16.472 ( -16.653 2.493 -16.093) 23.292 16.623 ( 5.025 1.653 10.184) 11.476 16.772 ( -3.610 -8.180 -2.342) 9.242 16.993 ( -9.959 -5.176 -2.921) 11.598 17.035 ( -9.579 -8.823 -6.159) 14.406 17.743 ( 1.136 -2.316 4.514) 5.199 17.826 ( 0.721 -3.720 -4.293) 5.726 18.254 ( 1.791 10.113 5.384) 11.596 18.324 ( -6.820 8.196 -2.205) 10.888 18.364 ( 5.307 0.194 5.406) 7.579 18.445 ( 11.512 11.384 -2.204) 16.339 18.894 ( -2.580 0.670 16.605) 16.818 18.976 ( -2.103 -4.084 11.898) 12.754 19.088 ( -0.305 -3.768 12.700) 13.250 19.216 ( 6.504 2.362 -4.943) 8.504 19.328 ( 5.236 -7.640 -5.145) 10.595 19.458 ( 5.010 -2.721 -10.927) 12.324 19.679 ( -1.041 5.767 -3.027) 6.596 19.795 ( 1.755 4.969 -11.037) 12.230 20.194 ( 3.147 1.760 -0.485) 3.638 20.269 ( 1.736 -3.665 -7.074) 8.154 20.432 ( 1.240 2.379 15.148) 15.384 20.747 ( -2.772 -0.222 -15.446) 15.694 25.554 ( -2.898 -1.752 3.552) 4.907 25.605 ( -2.396 -3.141 -1.006) 4.077 25.714 ( -0.553 0.857 6.131) 6.215 25.776 ( 0.936 -4.098 2.731) 5.013 25.828 ( -0.563 -0.866 -1.222) 1.600 25.848 ( -1.760 0.431 -5.441) 5.735 26.158 ( -2.359 -8.300 -1.929) 8.841 26.196 ( -1.059 -7.116 -5.303) 8.938 27.420 ( 4.949 5.849 5.044) 9.173 27.518 ( 3.491 4.687 -5.051) 7.725 28.326 ( -1.186 -11.000 1.363) 11.147 28.360 ( -1.393 -11.666 -2.077) 11.931 28.969 ( -0.499 17.797 0.560) 17.813 29.006 ( -0.460 17.277 -2.871) 17.520 30.258 ( 0.575 -4.957 3.054) 5.851 30.310 ( -0.004 -5.960 -2.574) 6.492 ======================= Grid point 254 (87/96) ======================= q-point: ( 0.33 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.670 ( -2.145 5.524 11.551) 12.982 4.768 ( -7.521 3.669 1.423) 8.488 5.059 ( 0.310 0.464 25.416) 25.422 5.374 ( -8.839 -9.951 -1.141) 13.358 5.513 ( 4.867 -5.816 6.247) 9.825 5.621 ( -3.640 -1.070 -0.402) 3.815 5.750 ( -3.935 0.062 7.588) 8.548 5.903 ( -5.094 3.721 3.906) 7.420 6.026 ( 1.080 -0.775 2.112) 2.495 6.089 ( -6.050 8.577 0.362) 10.502 6.133 ( -0.536 2.200 -5.388) 5.844 6.207 ( -4.239 0.972 -6.544) 7.857 6.769 ( 5.196 4.496 10.276) 12.361 6.882 ( 1.336 0.267 -2.711) 3.034 7.250 ( 9.467 2.723 7.658) 12.477 7.343 ( 5.294 4.643 7.051) 9.965 7.415 ( 0.718 7.701 -4.133) 8.770 7.465 ( 2.369 1.083 -4.104) 4.861 7.710 ( 4.970 -6.542 -1.886) 8.430 7.864 ( -4.700 -6.457 -15.522) 17.456 8.098 ( 7.885 3.822 4.993) 10.086 8.231 ( 3.855 2.651 -7.125) 8.524 8.429 ( -4.726 1.796 6.576) 8.295 8.562 ( 7.719 -5.241 6.531) 11.389 8.568 ( 3.015 3.315 7.086) 8.384 8.806 ( 4.614 8.382 -0.280) 9.572 8.871 ( 7.168 8.788 -1.804) 11.484 8.948 ( 4.942 -0.852 -12.429) 13.403 9.106 ( 3.535 17.729 3.605) 18.434 9.141 ( -1.775 8.179 -1.696) 8.539 9.306 ( -11.377 -3.002 7.965) 14.209 9.427 ( -1.884 2.661 -0.697) 3.334 9.750 ( -3.203 -8.274 4.563) 9.977 9.818 ( 1.057 -6.069 -1.138) 6.264 10.005 ( -10.550 1.450 0.107) 10.649 10.065 ( -10.164 2.060 -7.429) 12.757 10.493 ( 20.151 1.785 6.250) 21.173 10.539 ( 13.230 3.927 6.482) 15.247 10.655 ( 4.634 4.148 -4.207) 7.509 10.670 ( 4.767 3.351 -8.844) 10.591 10.746 ( 3.940 5.098 -4.297) 7.745 10.935 ( 9.070 0.979 -20.868) 22.775 11.386 ( 2.118 -1.267 4.176) 4.851 11.536 ( -10.877 -8.702 -7.586) 15.861 11.717 ( -9.026 -0.842 6.336) 11.060 11.776 ( -7.708 -3.817 7.813) 11.620 11.903 ( 3.612 -0.333 1.268) 3.842 12.021 ( -1.416 -17.262 4.882) 17.995 12.260 ( -11.893 -3.187 8.140) 14.760 12.360 ( -10.714 -9.433 -12.265) 18.820 12.373 ( -0.021 7.486 -17.099) 18.666 12.593 ( -12.160 -2.020 -18.465) 22.201 13.038 ( -0.573 -18.697 4.803) 19.312 13.178 ( -6.733 -19.149 -9.684) 22.490 13.880 ( 3.955 -4.506 6.188) 8.616 13.973 ( 9.194 -11.667 -1.959) 14.983 14.161 ( -3.562 -15.588 14.342) 21.479 14.385 ( -4.532 -9.044 -5.674) 11.599 14.501 ( 15.827 -8.718 12.352) 21.888 14.703 ( 4.853 -5.706 -0.545) 7.511 14.876 ( 14.531 23.016 3.912) 27.499 15.154 ( 5.434 0.559 -12.405) 13.554 15.323 ( 7.376 2.808 1.208) 7.985 15.387 ( 6.485 -6.155 -0.743) 8.971 15.599 ( -17.734 14.733 12.227) 26.097 15.798 ( -8.755 8.533 -1.572) 12.326 16.002 ( -10.036 -0.264 2.099) 10.257 16.094 ( -17.214 3.397 -11.691) 21.085 16.304 ( -3.542 17.532 7.621) 19.442 16.420 ( -3.138 12.410 -3.364) 13.235 16.698 ( 6.234 0.568 7.429) 9.715 16.786 ( 5.308 3.533 2.147) 6.728 16.900 ( -0.953 2.037 -4.005) 4.593 16.915 ( 1.150 2.028 -8.256) 8.579 17.792 ( 1.152 -7.889 4.032) 8.935 17.876 ( 1.550 -6.405 -4.483) 7.970 18.147 ( -7.107 8.379 1.721) 11.122 18.170 ( -6.867 6.608 -1.084) 9.592 18.484 ( 4.037 -1.804 6.092) 7.528 18.565 ( 0.830 2.707 -2.236) 3.608 18.850 ( -1.212 -0.114 13.940) 13.993 18.926 ( -3.738 -1.145 7.191) 8.185 19.160 ( 7.815 -3.987 16.144) 18.374 19.323 ( 2.397 -8.316 -0.057) 8.655 19.441 ( 6.679 -2.999 -5.718) 9.290 19.545 ( 2.442 -1.192 -14.049) 14.309 19.679 ( 1.857 4.407 0.761) 4.842 19.798 ( -1.592 3.430 -9.331) 10.068 20.274 ( 4.636 4.826 -1.408) 6.839 20.320 ( 2.740 1.588 -6.114) 6.885 20.473 ( 3.478 3.627 9.741) 10.960 20.672 ( -5.053 1.980 -10.037) 11.411 25.518 ( -0.511 -2.045 1.862) 2.812 25.556 ( -2.147 -2.593 -1.281) 3.602 25.695 ( -1.024 0.314 2.209) 2.455 25.779 ( -4.582 -0.865 -4.637) 6.577 25.799 ( 0.937 -2.356 1.656) 3.029 25.825 ( -0.086 -1.108 0.369) 1.171 26.125 ( -0.765 -10.388 -0.966) 10.461 26.164 ( -2.058 -9.056 -4.618) 10.371 27.525 ( 5.324 5.895 3.367) 8.627 27.583 ( 2.615 5.303 -2.653) 6.480 28.306 ( -0.670 -11.243 1.185) 11.325 28.330 ( -1.618 -11.550 -1.383) 11.744 28.963 ( -0.002 19.940 0.397) 19.944 28.991 ( -1.066 19.622 -2.362) 19.792 30.273 ( 0.955 -6.390 1.920) 6.740 30.306 ( -0.489 -6.919 -1.627) 7.124 ======================= Grid point 255 (88/96) ======================= q-point: (-0.50 0.17 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.672 ( -2.545 5.536 5.032) 7.902 4.672 ( 2.545 5.536 5.032) 7.902 5.154 ( -9.863 -2.708 18.291) 20.957 5.154 ( 9.863 -2.708 18.291) 20.957 5.588 ( -2.176 -6.033 2.689) 6.955 5.588 ( 2.176 -6.033 2.689) 6.955 5.781 ( -5.969 -1.828 -4.060) 7.447 5.781 ( 5.969 -1.828 -4.060) 7.447 6.019 ( -1.511 6.319 2.227) 6.868 6.019 ( 1.511 6.319 2.227) 6.868 6.166 ( -2.303 0.942 -2.025) 3.208 6.166 ( 2.303 0.942 -2.025) 3.208 6.863 ( -3.613 4.454 5.650) 8.051 6.863 ( 3.613 4.454 5.650) 8.051 7.353 ( -3.392 6.190 1.001) 7.129 7.353 ( 3.392 6.190 1.001) 7.129 7.477 ( -2.654 4.442 0.480) 5.197 7.477 ( 2.654 4.442 0.480) 5.197 7.777 ( -3.582 -9.062 -4.423) 10.702 7.777 ( 3.582 -9.062 -4.424) 10.702 8.263 ( -6.041 8.708 -1.447) 10.697 8.263 ( 6.041 8.708 -1.447) 10.697 8.383 ( -6.964 -6.871 -1.482) 9.895 8.383 ( 6.964 -6.871 -1.482) 9.895 8.872 ( -0.855 12.337 -0.017) 12.367 8.872 ( 0.855 12.337 -0.017) 12.367 8.955 ( -15.001 -0.868 8.471) 17.249 8.955 ( 15.001 -0.868 8.471) 17.249 9.075 ( -7.635 6.131 3.684) 10.462 9.075 ( 7.635 6.131 3.684) 10.462 9.305 ( -11.060 2.988 -9.194) 14.690 9.305 ( 11.060 2.988 -9.194) 14.690 9.813 ( -8.169 -1.004 2.834) 8.704 9.813 ( 8.169 -1.004 2.834) 8.704 9.900 ( -6.625 0.765 -3.807) 7.679 9.900 ( 6.625 0.765 -3.807) 7.679 10.624 ( -4.148 1.609 -0.026) 4.449 10.624 ( 4.148 1.609 -0.026) 4.449 10.748 ( -3.873 0.968 -5.495) 6.792 10.748 ( 3.873 0.968 -5.495) 6.792 11.085 ( -22.455 -1.149 2.906) 22.671 11.085 ( 22.455 -1.149 2.906) 22.671 11.269 ( -11.878 -3.154 -9.496) 15.531 11.269 ( 11.878 -3.154 -9.496) 15.531 11.640 ( -7.197 3.336 7.497) 10.915 11.640 ( 7.197 3.336 7.497) 10.915 12.012 ( -4.178 -10.529 15.343) 19.071 12.012 ( 4.178 -10.529 15.343) 19.071 12.161 ( -5.969 -6.155 -11.983) 14.735 12.161 ( 5.969 -6.155 -11.983) 14.735 12.431 ( -5.323 2.913 -21.722) 22.554 12.431 ( 5.323 2.913 -21.722) 22.554 13.075 ( -3.986 -17.057 -1.964) 17.627 13.075 ( 3.986 -17.057 -1.964) 17.627 13.990 ( -6.400 -19.323 7.185) 21.586 13.990 ( 6.400 -19.323 7.185) 21.586 14.240 ( -9.873 -8.360 -4.101) 13.572 14.240 ( 9.873 -8.360 -4.101) 13.572 14.675 ( -5.191 -7.008 8.823) 12.406 14.675 ( 5.191 -7.008 8.823) 12.406 15.210 ( -16.467 12.448 4.759) 21.184 15.210 ( 16.467 12.448 4.759) 21.184 15.370 ( -7.404 9.429 5.237) 13.082 15.370 ( 7.404 9.429 5.237) 13.082 15.573 ( -10.307 12.918 -11.721) 20.261 15.573 ( 10.307 12.918 -11.721) 20.261 15.873 ( -4.277 -9.649 -1.378) 10.644 15.873 ( 4.277 -9.649 -1.378) 10.644 16.318 ( -4.259 15.128 1.274) 15.767 16.318 ( 4.259 15.128 1.274) 15.767 16.807 ( -4.732 -0.178 1.073) 4.855 16.807 ( 4.732 -0.178 1.073) 4.855 16.952 ( -5.713 7.804 -0.706) 9.698 16.952 ( 5.713 7.804 -0.706) 9.698 17.817 ( -4.473 -5.395 -1.389) 7.144 17.817 ( 4.473 -5.395 -1.389) 7.144 18.100 ( -0.892 5.624 0.243) 5.700 18.100 ( 0.892 5.624 0.243) 5.700 18.538 ( -2.438 -2.876 1.354) 4.006 18.538 ( 2.438 -2.876 1.354) 4.006 18.862 ( -2.351 0.344 10.787) 11.045 18.862 ( 2.351 0.344 10.787) 11.045 19.295 ( -5.038 -7.676 9.216) 13.009 19.295 ( 5.038 -7.676 9.216) 13.009 19.536 ( -2.889 -2.058 -8.497) 9.208 19.536 ( 2.889 -2.058 -8.497) 9.208 19.743 ( -3.845 3.367 -6.074) 7.938 19.743 ( 3.845 3.367 -6.074) 7.938 20.337 ( -1.361 4.987 -2.996) 5.975 20.337 ( 1.361 4.987 -2.996) 5.975 20.566 ( -5.834 3.816 -0.917) 7.031 20.566 ( 5.834 3.816 -0.917) 7.031 25.528 ( -1.057 -2.237 -0.236) 2.485 25.528 ( 1.057 -2.237 -0.236) 2.485 25.702 ( -2.411 -0.529 -2.490) 3.506 25.702 ( 2.411 -0.529 -2.490) 3.506 25.817 ( -0.765 -1.660 1.901) 2.637 25.817 ( 0.765 -1.660 1.901) 2.637 26.130 ( -1.227 -10.701 -2.606) 11.082 26.130 ( 1.227 -10.701 -2.606) 11.082 27.595 ( -1.642 5.841 0.533) 6.091 27.595 ( 1.642 5.841 0.533) 6.091 28.306 ( -0.705 -11.386 0.012) 11.408 28.306 ( 0.705 -11.386 0.012) 11.408 28.971 ( -0.835 20.765 -0.922) 20.802 28.971 ( 0.835 20.765 -0.922) 20.802 30.291 ( -0.954 -7.202 0.108) 7.266 30.291 ( 0.954 -7.202 0.108) 7.266 ======================= Grid point 259 (89/96) ======================= q-point: ( 0.00 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 136 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.839 ( 0.000 1.083 18.424) 18.456 5.017 ( 0.000 -9.472 3.878) 10.235 5.171 ( 0.000 -0.007 0.951) 0.951 5.182 ( 0.000 2.329 -2.874) 3.699 5.408 ( 0.000 9.424 26.021) 27.675 5.696 ( 0.000 -1.883 4.118) 4.528 6.004 ( 0.000 0.454 2.094) 2.142 6.008 ( 0.000 6.575 2.108) 6.905 6.262 ( 0.000 -10.246 2.879) 10.643 6.329 ( 0.000 -5.442 -3.590) 6.520 6.434 ( 0.000 10.247 5.308) 11.540 6.528 ( 0.000 9.543 -0.240) 9.546 6.671 ( 0.000 1.974 5.965) 6.283 6.739 ( 0.000 4.001 18.958) 19.376 6.883 ( 0.000 -4.856 -9.688) 10.837 7.018 ( 0.000 -2.541 -8.049) 8.440 7.397 ( 0.000 -0.000 0.381) 0.381 7.473 ( 0.000 3.394 3.924) 5.188 7.513 ( 0.000 -4.631 -5.470) 7.167 7.690 ( 0.000 -4.741 -12.786) 13.637 7.960 ( 0.000 1.677 2.285) 2.835 8.144 ( 0.000 -6.316 -10.250) 12.040 8.425 ( 0.000 13.118 1.769) 13.236 8.503 ( 0.000 16.601 -3.805) 17.032 8.764 ( 0.000 1.257 5.253) 5.401 8.808 ( 0.000 2.779 5.687) 6.329 8.982 ( 0.000 1.250 2.567) 2.855 9.000 ( 0.000 17.359 4.777) 18.004 9.134 ( 0.000 14.310 -5.852) 15.461 9.152 ( 0.000 2.669 -2.181) 3.447 9.452 ( 0.000 -4.274 -2.790) 5.104 9.485 ( 0.000 4.234 -7.440) 8.560 9.792 ( 0.000 -1.458 12.336) 12.422 9.905 ( 0.000 -5.352 4.384) 6.918 10.136 ( 0.000 -1.863 -0.885) 2.063 10.218 ( 0.000 3.744 4.832) 6.113 10.331 ( 0.000 -4.441 -21.608) 22.060 10.340 ( 0.000 4.795 -8.325) 9.608 10.641 ( 0.000 1.549 5.413) 5.630 10.702 ( 0.000 -9.534 -1.264) 9.617 10.871 ( 0.000 10.528 7.392) 12.864 10.993 ( 0.000 3.174 14.872) 15.207 11.111 ( 0.000 3.686 -9.366) 10.065 11.331 ( 0.000 -12.947 -14.193) 19.211 11.408 ( 0.000 -0.562 5.864) 5.891 11.640 ( 0.000 -8.685 -12.052) 14.855 12.015 ( 0.000 -2.760 0.634) 2.832 12.161 ( 0.000 1.995 -12.052) 12.216 12.249 ( 0.000 -12.888 -0.326) 12.892 12.376 ( 0.000 -10.731 -12.890) 16.772 12.481 ( 0.000 -16.543 -0.134) 16.543 12.541 ( 0.000 -14.461 -7.424) 16.255 13.194 ( 0.000 0.518 15.695) 15.704 13.430 ( 0.000 -9.083 10.933) 14.214 13.560 ( 0.000 -1.022 -10.021) 10.073 13.740 ( 0.000 -1.980 -2.825) 3.450 13.890 ( 0.000 0.557 0.369) 0.669 13.947 ( 0.000 6.865 0.071) 6.866 14.418 ( 0.000 3.306 5.147) 6.117 14.519 ( 0.000 -1.187 -3.950) 4.125 14.750 ( 0.000 -17.591 3.158) 17.872 14.752 ( 0.000 -20.773 4.156) 21.185 15.270 ( 0.000 17.791 -0.868) 17.812 15.338 ( 0.000 18.335 -7.920) 19.972 15.965 ( 0.000 0.556 12.349) 12.361 16.145 ( 0.000 -7.363 -1.078) 7.442 16.212 ( 0.000 4.806 10.452) 11.505 16.381 ( 0.000 -3.314 1.553) 3.660 16.606 ( 0.000 -1.587 -3.621) 3.953 16.612 ( 0.000 -8.764 -0.433) 8.775 16.768 ( 0.000 -6.876 -7.075) 9.866 16.831 ( 0.000 -9.544 -8.883) 13.038 16.970 ( 0.000 24.752 1.306) 24.787 16.998 ( 0.000 21.089 -4.690) 21.604 17.782 ( 0.000 0.560 4.967) 4.998 17.858 ( 0.000 0.483 -2.252) 2.303 18.386 ( 0.000 5.005 8.675) 10.016 18.394 ( 0.000 2.603 2.251) 3.441 18.447 ( 0.000 8.571 10.404) 13.480 18.700 ( 0.000 15.215 -7.248) 16.853 18.850 ( 0.000 -9.368 19.040) 21.220 19.020 ( 0.000 5.189 8.717) 10.144 19.048 ( 0.000 -3.970 -0.141) 3.972 19.146 ( 0.000 -5.722 -1.550) 5.929 19.172 ( 0.000 0.870 4.229) 4.318 19.330 ( 0.000 -0.838 -13.373) 13.399 19.787 ( 0.000 -2.813 -6.109) 6.726 19.789 ( 0.000 0.311 -7.289) 7.296 20.169 ( 0.000 -1.054 0.107) 1.059 20.198 ( 0.000 2.567 0.643) 2.646 20.481 ( 0.000 4.874 5.036) 7.008 20.723 ( 0.000 -4.243 -15.284) 15.862 25.563 ( 0.000 -1.844 1.336) 2.277 25.566 ( 0.000 -1.097 1.561) 1.907 25.687 ( 0.000 -3.214 2.209) 3.900 25.729 ( 0.000 -0.174 1.693) 1.702 25.805 ( 0.000 -2.853 -0.973) 3.014 25.855 ( 0.000 -0.404 -2.278) 2.313 26.049 ( 0.000 -5.215 -3.797) 6.451 26.065 ( 0.000 -6.293 -5.801) 8.559 27.512 ( 0.000 7.669 4.830) 9.063 27.583 ( 0.000 4.957 -2.573) 5.585 28.153 ( 0.000 -7.535 1.062) 7.609 28.177 ( 0.000 -8.099 -1.467) 8.230 29.283 ( 0.000 13.508 -0.176) 13.509 29.308 ( 0.000 12.780 -2.434) 13.009 30.144 ( 0.000 -5.944 1.865) 6.229 30.172 ( 0.000 -7.544 -1.195) 7.638 ======================= Grid point 260 (90/96) ======================= q-point: ( 0.17 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 198 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.804 ( -2.602 2.215 16.858) 17.201 4.976 ( -5.498 -2.582 -1.702) 6.308 5.091 ( -2.457 0.048 11.573) 11.831 5.208 ( -0.933 -3.038 -2.758) 4.208 5.448 ( 3.349 6.507 17.817) 19.262 5.691 ( -1.112 -1.329 -0.136) 1.738 5.975 ( -4.587 0.716 2.134) 5.109 5.992 ( -5.276 -1.045 2.697) 6.016 6.108 ( -12.717 2.152 8.030) 15.194 6.200 ( -6.789 -2.958 1.890) 7.643 6.308 ( -6.784 2.514 1.886) 7.476 6.378 ( -10.415 3.260 -3.695) 11.522 6.762 ( 1.920 -0.088 8.026) 8.253 6.774 ( 8.836 0.463 7.867) 11.840 7.047 ( 17.641 7.176 5.900) 19.938 7.331 ( 19.290 -0.532 -13.335) 23.457 7.357 ( -0.409 1.930 2.639) 3.295 7.416 ( -0.407 -1.737 -6.261) 6.510 7.620 ( 0.876 1.055 2.673) 3.004 7.745 ( 4.957 -6.805 -15.504) 17.642 8.071 ( 11.033 0.179 7.745) 13.481 8.167 ( 1.370 -0.237 1.382) 1.961 8.415 ( -3.687 10.989 -1.584) 11.699 8.518 ( 9.533 3.735 -10.131) 14.403 8.743 ( -5.913 11.880 7.231) 15.113 8.893 ( 3.096 8.675 -4.669) 10.327 9.007 ( -1.068 6.588 0.052) 6.674 9.064 ( 4.953 13.290 0.560) 14.194 9.106 ( 6.553 3.545 3.330) 8.161 9.212 ( 6.468 4.735 -0.069) 8.016 9.413 ( -4.939 -3.401 2.669) 6.564 9.494 ( 1.089 2.276 -5.702) 6.235 9.709 ( -6.351 -4.608 4.644) 9.118 9.778 ( -11.106 -4.854 2.270) 12.331 10.112 ( -1.667 -4.958 -2.489) 5.793 10.203 ( -4.801 -1.926 0.206) 5.177 10.332 ( 4.773 9.752 -0.949) 10.898 10.466 ( 11.956 0.293 -14.464) 18.768 10.671 ( 1.496 0.826 3.863) 4.224 10.698 ( -3.516 1.524 2.890) 4.800 10.837 ( 3.132 6.651 1.570) 7.517 11.028 ( -2.879 8.861 -13.130) 16.100 11.163 ( 7.746 -7.218 10.609) 14.988 11.325 ( 1.836 -3.328 -5.845) 6.972 11.499 ( 5.245 -11.865 3.332) 13.393 11.646 ( 0.029 -7.772 -7.608) 10.876 11.969 ( -6.852 -5.822 2.783) 9.412 12.102 ( -7.484 3.390 -7.693) 11.256 12.281 ( -6.826 -23.769 -3.873) 25.032 12.335 ( -2.079 -12.301 -0.800) 12.501 12.351 ( -5.704 -7.607 -9.411) 13.378 12.451 ( -2.090 -5.965 -10.060) 11.881 13.036 ( -9.435 5.450 9.320) 14.338 13.285 ( -14.103 4.281 -14.467) 20.652 13.576 ( 5.944 -13.559 13.897) 20.305 13.770 ( 0.073 -7.460 -2.939) 8.019 14.084 ( 7.741 0.236 3.473) 8.488 14.100 ( 5.721 -0.502 3.063) 6.509 14.348 ( -7.119 -3.053 0.191) 7.748 14.412 ( 2.769 2.506 -3.358) 5.022 14.788 ( 5.016 -21.572 5.228) 22.756 14.852 ( 7.626 -17.412 -0.741) 19.024 15.281 ( 2.078 18.773 2.094) 19.003 15.394 ( 5.636 15.688 -9.083) 18.983 16.008 ( 2.326 5.755 11.138) 12.751 16.137 ( -7.397 1.999 15.597) 17.378 16.172 ( -2.431 5.296 -4.845) 7.578 16.386 ( 2.097 -2.618 1.985) 3.898 16.542 ( -8.866 -0.607 -7.237) 11.461 16.606 ( 0.735 -6.503 -2.004) 6.845 16.712 ( 6.694 -4.863 -3.688) 9.059 16.774 ( -4.919 -3.511 -5.584) 8.228 16.989 ( 0.336 22.631 3.692) 22.933 17.076 ( -1.601 19.529 -5.866) 20.454 17.672 ( -6.919 -4.825 5.859) 10.271 17.762 ( -4.125 -3.825 -3.795) 6.786 18.387 ( -1.609 4.167 3.351) 5.584 18.406 ( -4.067 5.753 4.270) 8.239 18.482 ( 2.476 5.719 7.929) 10.085 18.683 ( -3.352 5.779 -6.715) 9.472 18.830 ( 0.097 -6.370 17.544) 18.665 18.932 ( -4.321 -1.677 7.260) 8.613 19.027 ( 0.191 1.199 8.062) 8.153 19.150 ( -0.010 -5.493 -3.716) 6.632 19.311 ( 9.002 3.067 -1.180) 9.583 19.408 ( 7.115 -1.991 -11.416) 13.598 19.732 ( -2.483 -0.300 -1.471) 2.901 19.816 ( -0.208 -2.949 -8.755) 9.241 20.240 ( 6.965 1.624 0.248) 7.156 20.270 ( 6.976 4.032 0.558) 8.076 20.500 ( 2.021 4.992 4.723) 7.163 20.719 ( -0.536 -3.043 -13.529) 13.877 25.522 ( -2.862 -0.855 2.025) 3.609 25.548 ( -2.179 -1.983 -0.167) 2.951 25.695 ( 0.807 -3.317 2.213) 4.068 25.744 ( 0.377 1.603 4.122) 4.439 25.777 ( -1.560 -4.288 -3.512) 5.758 25.854 ( -0.801 -0.222 -3.132) 3.240 25.980 ( -5.795 -6.839 -2.403) 9.281 26.046 ( -2.698 -7.077 -7.055) 10.351 27.564 ( 5.073 7.816 4.618) 10.400 27.629 ( 4.315 5.535 -2.096) 7.325 28.138 ( -1.356 -7.684 1.443) 7.935 28.163 ( -1.389 -8.205 -1.223) 8.411 29.308 ( 2.321 15.277 0.111) 15.453 29.334 ( 2.364 14.514 -2.474) 14.912 30.127 ( -1.644 -7.491 1.767) 7.870 30.154 ( -1.730 -8.857 -1.261) 9.112 ======================= Grid point 261 (91/96) ======================= q-point: ( 0.33 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.776 ( 0.143 4.760 11.630) 12.567 4.866 ( -4.811 5.020 0.754) 6.994 5.050 ( -1.823 -1.657 9.363) 9.682 5.168 ( -4.061 -8.099 -3.242) 9.623 5.500 ( 2.064 3.032 11.707) 12.268 5.638 ( -5.109 1.539 -0.629) 5.373 5.736 ( -8.292 -1.635 10.462) 13.449 5.855 ( -9.000 -5.585 -0.326) 10.597 6.059 ( 0.816 2.105 7.293) 7.635 6.135 ( -1.764 0.692 2.159) 2.873 6.198 ( -5.985 -0.010 2.007) 6.312 6.204 ( -4.251 -0.835 0.310) 4.343 6.884 ( 8.769 5.820 8.002) 13.221 6.942 ( 7.982 5.381 2.529) 9.953 7.325 ( 8.094 3.224 6.845) 11.080 7.426 ( 2.141 -2.722 -0.491) 3.498 7.444 ( 8.775 4.655 3.178) 10.430 7.571 ( -2.591 4.731 1.765) 5.675 7.621 ( 8.815 -1.382 -9.360) 12.931 7.756 ( -4.091 -3.716 -15.623) 16.572 8.186 ( 5.491 5.441 6.994) 10.425 8.338 ( 4.672 5.681 -8.275) 11.071 8.438 ( 13.518 -3.772 14.991) 20.535 8.597 ( -7.059 11.594 2.189) 13.750 8.713 ( -5.252 7.624 -8.829) 12.793 8.796 ( 5.820 -4.167 -13.943) 15.673 9.058 ( 4.946 12.273 1.138) 13.281 9.123 ( 2.208 13.060 -3.379) 13.669 9.157 ( -12.606 -8.066 6.247) 16.218 9.247 ( -7.198 -0.034 -0.621) 7.225 9.416 ( 6.083 6.755 10.053) 13.554 9.511 ( -0.324 3.097 -4.372) 5.367 9.650 ( 3.366 0.493 0.473) 3.434 9.723 ( 11.806 -0.494 -2.857) 12.157 10.048 ( -9.465 2.613 1.785) 9.981 10.098 ( -1.109 1.047 -3.098) 3.454 10.499 ( 8.043 0.054 4.561) 9.247 10.651 ( -2.236 -3.524 3.826) 5.662 10.683 ( 5.966 7.372 1.972) 9.687 10.702 ( 9.811 -0.553 -9.046) 13.356 10.908 ( 0.610 6.977 -8.618) 11.105 10.987 ( 2.160 4.728 -12.223) 13.282 11.252 ( -3.373 -14.882 5.685) 16.284 11.354 ( -1.678 -4.331 -7.176) 8.548 11.560 ( 2.994 -11.326 7.157) 13.728 11.629 ( -0.954 -11.467 -0.245) 11.509 11.727 ( -12.028 -7.625 9.904) 17.347 11.967 ( -7.566 1.269 9.174) 11.959 12.015 ( -11.618 -16.612 -13.239) 24.212 12.194 ( -7.868 -0.808 -9.835) 12.621 12.450 ( 6.917 -9.750 -6.574) 13.643 12.514 ( 4.021 1.209 -13.225) 13.876 12.943 ( 0.114 7.565 1.357) 7.687 13.071 ( -7.712 8.011 -11.580) 16.055 13.680 ( -0.814 -13.326 6.622) 14.903 13.746 ( 0.103 -9.218 0.582) 9.237 13.872 ( -12.041 -10.287 8.893) 18.163 14.083 ( -4.923 -14.322 -11.055) 18.750 14.370 ( 0.373 -11.023 6.529) 12.816 14.487 ( -3.047 -13.558 -5.137) 14.815 15.014 ( 19.545 -5.069 8.473) 21.898 15.124 ( 22.572 -7.306 -0.919) 23.743 15.389 ( 9.570 17.414 5.838) 20.711 15.546 ( 10.309 9.133 -9.271) 16.602 15.851 ( -15.333 10.874 13.955) 23.411 15.983 ( -9.540 7.987 6.528) 14.051 16.088 ( -12.438 6.807 -0.023) 14.179 16.166 ( -17.923 4.498 -14.234) 23.325 16.598 ( 2.593 3.221 4.566) 6.161 16.675 ( 4.444 -0.805 -2.700) 5.262 16.736 ( 10.198 7.888 7.553) 14.942 16.893 ( -1.665 -0.630 -3.256) 3.711 16.951 ( 0.723 10.239 0.655) 10.285 16.991 ( 2.810 18.990 -5.869) 20.074 17.612 ( -0.617 -11.195 6.029) 12.730 17.745 ( -0.601 -8.579 -6.960) 11.064 18.296 ( -6.313 7.139 0.937) 9.576 18.300 ( -6.157 6.102 0.788) 8.704 18.459 ( -2.781 -0.989 7.677) 8.225 18.565 ( -7.044 -3.626 -2.461) 8.296 18.854 ( 1.307 0.560 11.662) 11.748 18.904 ( -0.674 -1.043 7.256) 7.361 19.056 ( 2.920 -4.312 8.424) 9.904 19.145 ( -0.615 -8.279 -1.950) 8.527 19.461 ( 6.446 3.399 -3.617) 8.135 19.536 ( 4.811 0.251 -9.917) 11.025 19.704 ( -0.035 -0.900 0.380) 0.977 19.792 ( -2.040 -3.481 -7.511) 8.526 20.388 ( 7.374 5.546 0.759) 9.258 20.419 ( 7.206 7.021 -1.102) 10.121 20.553 ( 3.472 4.192 4.348) 6.966 20.697 ( -2.062 -0.230 -8.348) 8.602 25.485 ( -0.532 -0.606 0.800) 1.136 25.510 ( -1.328 -1.364 -1.288) 2.298 25.699 ( -3.241 -0.544 1.606) 3.658 25.707 ( -0.684 -4.473 1.425) 4.744 25.784 ( -0.121 -1.332 -2.172) 2.551 25.815 ( -2.256 0.986 -4.100) 4.783 25.887 ( -2.180 -11.021 -0.404) 11.242 25.976 ( -4.136 -8.471 -7.392) 11.979 27.674 ( 5.641 8.381 3.593) 10.723 27.716 ( 3.934 7.287 -0.819) 8.322 28.112 ( -1.087 -8.498 1.853) 8.765 28.132 ( -1.697 -8.655 -0.352) 8.826 29.357 ( 2.515 18.927 0.134) 19.094 29.378 ( 1.788 18.494 -2.011) 18.689 30.095 ( -1.386 -11.083 1.200) 11.233 30.115 ( -2.118 -11.753 -1.041) 11.988 ======================= Grid point 262 (92/96) ======================= q-point: (-0.50 0.33 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.803 ( -2.246 7.188 4.065) 8.558 4.803 ( 2.246 7.188 4.065) 8.558 5.066 ( -4.349 -5.706 4.280) 8.354 5.066 ( 4.349 -5.706 4.280) 8.354 5.548 ( -3.402 1.484 8.288) 9.081 5.548 ( 3.402 1.484 8.288) 9.081 5.717 ( -4.083 -4.535 1.049) 6.191 5.717 ( 4.083 -4.535 1.048) 6.191 6.088 ( -2.395 1.560 6.676) 7.262 6.088 ( 2.395 1.560 6.676) 7.262 6.160 ( -0.617 -1.497 0.936) 1.870 6.160 ( 0.617 -1.497 0.936) 1.870 7.013 ( -2.346 9.966 2.493) 10.538 7.013 ( 2.346 9.966 2.493) 10.538 7.391 ( -3.311 -5.253 9.039) 10.966 7.391 ( 3.311 -5.253 9.039) 10.966 7.592 ( -3.556 6.541 -1.962) 7.699 7.592 ( 3.556 6.541 -1.962) 7.699 7.676 ( -2.151 0.388 -7.100) 7.429 7.676 ( 2.151 0.388 -7.100) 7.429 8.327 ( -6.046 3.466 -0.843) 7.019 8.327 ( 6.046 3.466 -0.843) 7.019 8.516 ( -1.607 12.807 -3.319) 13.328 8.516 ( 1.607 12.807 -3.319) 13.328 8.830 ( -19.206 -8.680 8.459) 22.710 8.830 ( 19.206 -8.680 8.459) 22.710 9.006 ( -11.754 -8.262 -9.023) 16.966 9.006 ( 11.754 -8.262 -9.023) 16.966 9.150 ( -1.743 12.784 -2.198) 13.088 9.150 ( 1.743 12.784 -2.198) 13.088 9.474 ( -2.392 7.344 0.993) 7.787 9.474 ( 2.392 7.344 0.993) 7.787 9.827 ( -11.516 4.726 4.552) 13.255 9.827 ( 11.516 4.726 4.552) 13.255 10.014 ( -10.607 8.313 -4.124) 14.093 10.014 ( 10.607 8.313 -4.124) 14.093 10.583 ( -3.806 -3.911 5.094) 7.465 10.583 ( 3.806 -3.911 5.094) 7.465 10.806 ( -6.852 4.378 -11.067) 13.733 10.806 ( 6.852 4.378 -11.067) 13.733 10.999 ( -18.589 -8.736 6.094) 21.425 10.999 ( 18.589 -8.736 6.094) 21.425 11.172 ( -13.313 -6.869 -9.433) 17.703 11.172 ( 13.313 -6.869 -9.433) 17.703 11.634 ( -1.006 -10.201 5.955) 11.854 11.634 ( 1.006 -10.201 5.955) 11.854 11.726 ( -11.614 -13.471 7.443) 19.281 11.726 ( 11.614 -13.471 7.443) 19.281 12.034 ( -7.694 5.339 -10.518) 14.083 12.034 ( 7.694 5.339 -10.518) 14.083 12.539 ( -1.584 1.004 -12.161) 12.304 12.539 ( 1.584 1.004 -12.161) 12.304 12.988 ( -2.825 8.705 -3.904) 9.950 12.988 ( 2.825 8.705 -3.904) 9.950 13.621 ( -2.658 -16.721 3.100) 17.212 13.621 ( 2.658 -16.721 3.100) 17.212 13.974 ( -9.778 -11.737 0.265) 15.279 13.974 ( 9.778 -11.737 0.265) 15.279 14.377 ( -4.758 -21.287 -2.830) 21.995 14.377 ( 4.758 -21.287 -2.829) 21.995 15.391 ( -12.771 7.948 10.560) 18.379 15.391 ( 12.771 7.948 10.560) 18.379 15.622 ( -17.519 3.558 7.692) 19.461 15.622 ( 17.519 3.558 7.692) 19.461 15.757 ( -15.087 6.983 0.757) 16.642 15.757 ( 15.087 6.983 0.757) 16.642 15.840 ( -10.007 9.015 -12.044) 18.069 15.840 ( 10.007 9.015 -12.044) 18.069 16.710 ( -6.175 17.062 2.979) 18.388 16.710 ( 6.175 17.062 2.979) 18.388 16.804 ( -4.927 3.989 -2.548) 6.832 16.804 ( 4.927 3.989 -2.548) 6.832 17.049 ( -6.311 3.253 3.305) 7.831 17.049 ( 6.311 3.253 3.305) 7.831 17.664 ( -6.456 -11.299 -3.418) 13.455 17.664 ( 6.456 -11.299 -3.418) 13.455 18.227 ( -0.406 6.843 1.290) 6.975 18.227 ( 0.406 6.843 1.290) 6.975 18.459 ( -3.353 -4.782 1.424) 6.012 18.459 ( 3.353 -4.782 1.424) 6.012 18.880 ( -1.518 1.896 9.012) 9.334 18.880 ( 1.518 1.896 9.012) 9.334 19.115 ( -2.681 -9.395 3.587) 10.408 19.115 ( 2.681 -9.395 3.587) 10.408 19.549 ( -2.735 3.196 -5.740) 7.116 19.549 ( 2.735 3.196 -5.740) 7.116 19.742 ( -3.104 -3.198 -4.406) 6.267 19.742 ( 3.104 -3.198 -4.406) 6.267 20.479 ( -1.425 8.291 -0.501) 8.427 20.479 ( 1.425 8.291 -0.501) 8.427 20.634 ( -4.503 1.974 -0.680) 4.964 20.634 ( 4.503 1.974 -0.680) 4.964 25.495 ( -0.808 -0.111 -0.934) 1.240 25.495 ( 0.808 -0.111 -0.934) 1.240 25.666 ( -1.105 -3.989 -1.192) 4.307 25.666 ( 1.105 -3.989 -1.192) 4.307 25.789 ( -1.398 -0.754 0.916) 1.834 25.789 ( 1.398 -0.754 0.916) 1.834 25.905 ( -3.060 -9.539 -5.453) 11.406 25.905 ( 3.060 -9.539 -5.453) 11.406 27.745 ( -1.267 8.807 1.419) 9.010 27.745 ( 1.267 8.807 1.419) 9.010 28.107 ( -0.651 -9.264 1.056) 9.347 28.107 ( 0.651 -9.264 1.056) 9.347 29.389 ( -0.657 20.821 -0.811) 20.847 29.389 ( 0.657 20.821 -0.811) 20.847 30.086 ( -0.637 -13.273 -0.020) 13.289 30.086 ( 0.637 -13.273 -0.020) 13.289 ======================= Grid point 266 (93/96) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.875 ( 0.000 -4.123 10.958) 11.709 4.875 ( 0.000 4.123 10.958) 11.709 5.200 ( 0.000 -1.009 -2.318) 2.528 5.200 ( 0.000 1.009 -2.318) 2.528 5.601 ( 0.000 -8.238 18.363) 20.126 5.601 ( 0.000 8.238 18.363) 20.126 6.040 ( 0.000 -3.913 2.905) 4.873 6.040 ( 0.000 3.913 2.905) 4.873 6.198 ( 0.000 -6.270 -1.330) 6.410 6.198 ( 0.000 6.270 -1.330) 6.410 6.571 ( 0.000 -3.256 6.101) 6.915 6.571 ( 0.000 3.256 6.101) 6.915 6.765 ( 0.000 -6.021 3.424) 6.926 6.765 ( 0.000 6.021 3.424) 6.926 6.908 ( 0.000 -8.626 4.314) 9.645 6.908 ( 0.000 8.626 4.314) 9.645 7.415 ( 0.000 -3.243 -14.973) 15.320 7.415 ( 0.000 3.243 -14.973) 15.320 7.580 ( 0.000 -6.125 0.953) 6.199 7.580 ( 0.000 6.125 0.953) 6.199 8.028 ( 0.000 -4.905 -6.881) 8.450 8.028 ( 0.000 4.905 -6.881) 8.450 8.622 ( 0.000 -4.461 5.587) 7.150 8.622 ( 0.000 4.461 5.587) 7.150 8.817 ( 0.000 -3.137 1.479) 3.468 8.817 ( 0.000 3.137 1.479) 3.468 9.094 ( 0.000 -8.772 -5.834) 10.534 9.094 ( 0.000 8.772 -5.834) 10.534 9.314 ( 0.000 -11.142 3.951) 11.822 9.314 ( 0.000 11.142 3.951) 11.822 9.441 ( 0.000 -11.550 -7.579) 13.815 9.441 ( 0.000 11.550 -7.579) 13.815 9.818 ( 0.000 -3.616 7.501) 8.327 9.818 ( 0.000 3.616 7.501) 8.327 10.105 ( 0.000 -6.644 -6.945) 9.611 10.105 ( 0.000 6.644 -6.945) 9.611 10.407 ( 0.000 -10.807 5.713) 12.224 10.407 ( 0.000 10.807 5.713) 12.224 10.525 ( 0.000 -8.191 -4.881) 9.535 10.525 ( 0.000 8.191 -4.881) 9.535 11.047 ( 0.000 -0.895 9.990) 10.030 11.047 ( 0.000 0.895 9.990) 10.030 11.192 ( 0.000 -1.636 -6.267) 6.477 11.192 ( 0.000 1.636 -6.267) 6.477 11.515 ( 0.000 -8.340 -2.850) 8.813 11.515 ( 0.000 8.340 -2.850) 8.813 11.936 ( 0.000 -5.740 -5.066) 7.656 11.936 ( 0.000 5.740 -5.066) 7.656 12.249 ( 0.000 -1.814 -12.724) 12.853 12.249 ( 0.000 1.814 -12.724) 12.853 12.380 ( 0.000 -3.871 -5.306) 6.568 12.380 ( 0.000 3.871 -5.306) 6.568 13.265 ( 0.000 -6.359 16.521) 17.703 13.265 ( 0.000 6.359 16.521) 17.703 13.613 ( 0.000 -5.945 -14.466) 15.640 13.613 ( 0.000 5.945 -14.466) 15.640 14.037 ( 0.000 -3.845 3.999) 5.547 14.037 ( 0.000 3.845 3.999) 5.547 14.461 ( 0.000 -2.903 4.938) 5.728 14.461 ( 0.000 2.903 4.938) 5.728 14.510 ( 0.000 -1.478 1.053) 1.815 14.510 ( 0.000 1.478 1.053) 1.815 15.542 ( 0.000 -3.349 -3.363) 4.746 15.542 ( 0.000 3.349 -3.363) 4.746 16.009 ( 0.000 -4.854 7.041) 8.552 16.009 ( 0.000 4.854 7.041) 8.552 16.266 ( 0.000 -5.031 -0.892) 5.110 16.266 ( 0.000 5.031 -0.892) 5.110 16.525 ( 0.000 -1.683 4.699) 4.991 16.525 ( 0.000 1.683 4.699) 4.991 16.731 ( 0.000 -1.355 -14.248) 14.312 16.731 ( 0.000 1.355 -14.248) 14.312 17.253 ( 0.000 -0.777 1.362) 1.568 17.253 ( 0.000 0.777 1.362) 1.568 17.840 ( 0.000 -3.532 3.125) 4.716 17.840 ( 0.000 3.532 3.125) 4.716 18.419 ( 0.000 -0.012 3.670) 3.670 18.419 ( 0.000 0.012 3.670) 3.670 18.629 ( 0.000 -9.926 13.125) 16.455 18.629 ( 0.000 9.926 13.125) 16.455 18.903 ( 0.000 -6.990 2.328) 7.368 18.903 ( 0.000 6.990 2.328) 7.368 19.103 ( 0.000 -1.867 -1.748) 2.557 19.103 ( 0.000 1.867 -1.748) 2.557 19.271 ( 0.000 -6.486 -3.872) 7.554 19.271 ( 0.000 6.486 -3.872) 7.554 19.749 ( 0.000 -1.096 -5.523) 5.631 19.749 ( 0.000 1.096 -5.523) 5.631 20.202 ( 0.000 -2.111 4.929) 5.363 20.202 ( 0.000 2.111 4.929) 5.363 20.608 ( 0.000 -6.978 -9.444) 11.743 20.608 ( 0.000 6.978 -9.444) 11.743 25.555 ( 0.000 -0.439 1.337) 1.407 25.555 ( 0.000 0.439 1.337) 1.407 25.671 ( 0.000 -2.490 -2.585) 3.589 25.671 ( 0.000 2.490 -2.585) 3.589 25.821 ( 0.000 -2.732 2.709) 3.847 25.821 ( 0.000 2.732 2.709) 3.847 25.999 ( 0.000 -0.086 -5.619) 5.620 25.999 ( 0.000 0.086 -5.619) 5.620 27.623 ( 0.000 -2.159 1.925) 2.893 27.623 ( 0.000 2.159 1.925) 2.893 28.077 ( 0.000 -0.902 -0.470) 1.017 28.077 ( 0.000 0.902 -0.470) 1.017 29.445 ( 0.000 -0.805 -1.243) 1.481 29.445 ( 0.000 0.805 -1.243) 1.481 30.073 ( 0.000 -0.592 0.361) 0.693 30.073 ( 0.000 0.592 0.361) 0.693 ======================= Grid point 268 (94/96) ======================= q-point: ( 0.17 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.866 ( -0.662 -4.902 9.442) 10.659 4.866 ( -0.662 4.902 9.442) 10.659 5.157 ( -4.003 -3.423 0.052) 5.267 5.157 ( -4.003 3.423 0.052) 5.267 5.604 ( 0.060 -7.487 13.822) 15.719 5.604 ( 0.060 7.487 13.822) 15.719 5.970 ( -8.838 -0.272 -1.118) 8.913 5.970 ( -8.838 0.272 -1.118) 8.913 6.142 ( -3.343 -1.737 3.944) 5.454 6.142 ( -3.343 1.737 3.944) 5.454 6.374 ( -14.134 -2.580 1.384) 14.434 6.374 ( -14.134 2.580 1.384) 14.434 6.774 ( 8.555 -1.716 14.016) 16.510 6.774 ( 8.555 1.716 14.016) 16.510 7.228 ( 18.147 -8.636 -2.057) 20.202 7.228 ( 18.147 8.636 -2.057) 20.202 7.395 ( 0.813 -1.305 -9.640) 9.762 7.395 ( 0.813 1.305 -9.640) 9.762 7.644 ( 3.502 -2.606 -2.988) 5.290 7.644 ( 3.502 2.606 -2.988) 5.290 8.110 ( 7.923 -3.789 -0.769) 8.816 8.110 ( 7.923 3.789 -0.769) 8.816 8.557 ( -2.674 -2.670 -1.934) 4.245 8.557 ( -2.674 2.670 -1.934) 4.245 8.951 ( 1.805 -7.932 5.651) 9.905 8.951 ( 1.805 7.932 5.651) 9.905 9.102 ( 7.464 -9.381 -6.995) 13.880 9.102 ( 7.464 9.381 -6.995) 13.880 9.300 ( -1.096 -8.653 3.668) 9.462 9.300 ( -1.096 8.653 3.668) 9.462 9.414 ( -3.000 -11.609 -6.646) 13.709 9.414 ( -3.000 11.609 -6.646) 13.709 9.696 ( -8.255 -3.380 2.772) 9.341 9.696 ( -8.255 3.380 2.772) 9.341 10.100 ( 0.099 -6.167 -2.923) 6.825 10.100 ( 0.099 6.167 -2.923) 6.825 10.489 ( 6.489 -2.373 2.710) 7.421 10.489 ( 6.489 2.373 2.710) 7.421 10.570 ( 3.233 -6.383 1.503) 7.311 10.570 ( 3.233 6.383 1.503) 7.311 11.044 ( 0.077 -12.549 4.578) 13.358 11.044 ( 0.077 12.549 4.578) 13.358 11.222 ( 1.904 -5.514 -8.248) 10.102 11.222 ( 1.904 5.514 -8.248) 10.102 11.541 ( 1.735 -7.625 -0.936) 7.876 11.541 ( 1.735 7.625 -0.936) 7.876 11.858 ( -8.890 -10.126 -1.327) 13.540 11.858 ( -8.890 10.126 -1.327) 13.540 12.170 ( -6.489 -3.922 -8.908) 11.698 12.170 ( -6.489 3.922 -8.908) 11.698 12.361 ( 0.205 -3.917 -8.079) 8.981 12.361 ( 0.205 3.917 -8.079) 8.981 13.229 ( -3.255 -11.673 10.452) 16.003 13.229 ( -3.255 11.673 10.452) 16.003 13.545 ( -2.623 -11.764 -10.574) 16.033 13.545 ( -2.623 11.764 -10.574) 16.033 14.130 ( -5.974 -4.112 2.115) 7.555 14.130 ( -5.974 4.112 2.115) 7.555 14.405 ( -0.613 -12.359 7.327) 14.381 14.405 ( -0.613 12.359 7.327) 14.381 14.555 ( 10.556 -10.051 -2.354) 14.765 14.555 ( 10.556 10.051 -2.354) 14.765 15.540 ( 0.771 -3.472 -2.218) 4.192 15.540 ( 0.771 3.472 -2.218) 4.192 16.118 ( 6.906 -2.959 9.668) 12.244 16.118 ( 6.906 2.959 9.668) 12.244 16.298 ( 0.612 -4.454 2.093) 4.959 16.298 ( 0.612 4.454 2.093) 4.959 16.497 ( -0.076 -5.116 -2.024) 5.502 16.497 ( -0.076 5.116 -2.024) 5.502 16.670 ( -1.867 -5.427 -11.054) 12.455 16.670 ( -1.867 5.427 -11.054) 12.455 17.342 ( 5.494 -6.596 3.359) 9.218 17.342 ( 5.494 6.596 3.359) 9.218 17.637 ( -15.685 -6.855 0.025) 17.117 17.637 ( -15.685 6.855 0.025) 17.117 18.481 ( 1.916 -3.301 2.349) 4.482 18.481 ( 1.916 3.301 2.349) 4.482 18.562 ( -6.650 -8.799 8.877) 14.158 18.562 ( -6.650 8.799 8.877) 14.158 18.854 ( -1.851 -4.301 7.189) 8.580 18.854 ( -1.851 4.301 7.189) 8.580 19.094 ( -2.142 -2.267 -2.083) 3.750 19.094 ( -2.142 2.267 -2.083) 3.750 19.365 ( 8.460 -2.720 -4.480) 9.952 19.365 ( 8.460 2.720 -4.480) 9.952 19.741 ( -0.868 -2.675 -4.684) 5.463 19.741 ( -0.868 2.675 -4.684) 5.463 20.290 ( 8.534 -1.854 5.048) 10.087 20.290 ( 8.534 1.854 5.048) 10.087 20.623 ( 1.439 -6.337 -8.429) 10.642 20.623 ( 1.439 6.337 -8.429) 10.642 25.526 ( -2.399 -0.807 0.762) 2.644 25.526 ( -2.399 0.807 0.762) 2.644 25.677 ( 0.415 -2.594 -2.794) 3.835 25.677 ( 0.415 2.594 -2.794) 3.835 25.807 ( -1.610 -3.599 3.741) 5.436 25.807 ( -1.610 3.599 3.741) 5.436 25.949 ( -4.749 -2.501 -6.874) 8.721 25.949 ( -4.749 2.501 -6.874) 8.721 27.678 ( 5.436 -2.050 2.036) 6.156 27.678 ( 5.436 2.050 2.036) 6.156 28.059 ( -1.848 -0.974 -0.115) 2.092 28.059 ( -1.848 0.974 -0.115) 2.092 29.497 ( 5.152 -0.910 -1.094) 5.345 29.497 ( 5.152 0.910 -1.094) 5.345 30.032 ( -4.198 -0.715 0.257) 4.267 30.032 ( -4.198 0.715 0.257) 4.267 ======================= Grid point 270 (95/96) ======================= q-point: ( 0.33 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 132 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.870 ( 1.688 -4.327 5.987) 7.578 4.870 ( 1.688 4.327 5.987) 7.578 5.062 ( -6.023 -3.713 0.525) 7.095 5.062 ( -6.023 3.713 0.525) 7.095 5.597 ( -0.474 -5.531 8.739) 10.353 5.597 ( -0.474 5.531 8.739) 10.353 5.753 ( -10.882 -4.002 2.086) 11.781 5.753 ( -10.882 4.002 2.086) 11.781 6.109 ( -0.491 -3.105 5.283) 6.148 6.109 ( -0.491 3.105 5.283) 6.148 6.189 ( -5.996 -0.630 3.770) 7.111 6.189 ( -5.996 0.630 3.770) 7.111 6.981 ( 12.541 -2.775 10.929) 16.864 6.981 ( 12.541 2.775 10.929) 16.864 7.370 ( -2.490 -3.118 -5.551) 6.836 7.370 ( -2.490 3.118 -5.551) 6.836 7.542 ( 10.608 -3.836 0.467) 11.290 7.542 ( 10.608 3.836 0.467) 11.290 7.686 ( 2.001 -3.900 -5.389) 6.947 7.686 ( 2.001 3.900 -5.389) 6.947 8.295 ( 11.223 -4.986 8.230) 14.784 8.295 ( 11.223 4.986 8.230) 14.784 8.554 ( 1.318 -10.335 -8.066) 13.176 8.554 ( 1.318 10.335 -8.066) 13.176 8.842 ( -7.440 -5.184 -3.188) 9.612 8.842 ( -7.440 5.184 -3.188) 9.612 9.086 ( -14.093 -5.593 -2.602) 15.384 9.086 ( -14.093 5.593 -2.602) 15.384 9.355 ( 3.707 -7.337 -2.292) 8.533 9.355 ( 3.707 7.337 -2.292) 8.533 9.412 ( 3.975 -9.103 -0.995) 9.982 9.412 ( 3.975 9.103 -0.995) 9.982 9.735 ( 14.260 -4.804 2.378) 15.234 9.735 ( 14.260 4.804 2.378) 15.234 10.092 ( -1.399 -1.578 1.024) 2.344 10.092 ( -1.399 1.578 1.024) 2.344 10.569 ( 0.625 -6.125 9.032) 10.931 10.569 ( 0.625 6.125 9.032) 10.931 10.672 ( 9.794 -4.191 -3.737) 11.289 10.672 ( 9.794 4.191 -3.737) 11.289 11.027 ( -5.115 -8.965 1.237) 10.395 11.027 ( -5.115 8.965 1.237) 10.395 11.173 ( -7.947 -13.905 -10.121) 18.946 11.173 ( -7.947 13.905 -10.121) 18.946 11.528 ( -1.953 -4.263 0.387) 4.705 11.528 ( -1.953 4.263 0.387) 4.705 11.650 ( -10.687 -11.335 -2.949) 15.855 11.650 ( -10.687 11.335 -2.949) 15.855 12.163 ( 7.663 -11.172 -2.616) 13.797 12.163 ( 7.663 11.172 -2.616) 13.798 12.387 ( 1.011 -9.327 -7.863) 12.241 12.387 ( 1.011 9.327 -7.863) 12.241 13.175 ( -0.503 -8.251 1.460) 8.395 13.175 ( -0.503 8.251 1.460) 8.395 13.540 ( -4.200 -7.690 -3.559) 9.457 13.540 ( -4.200 7.690 -3.559) 9.457 13.875 ( -8.807 -7.679 -1.291) 11.756 13.875 ( -8.807 7.679 -1.291) 11.756 14.257 ( -12.845 -5.016 -1.085) 13.832 14.257 ( -12.845 5.016 -1.085) 13.832 15.012 ( 29.952 -3.425 5.064) 30.569 15.012 ( 29.952 3.425 5.064) 30.569 15.599 ( 5.186 -3.475 -0.417) 6.257 15.599 ( 5.186 3.475 -0.417) 6.257 16.023 ( -12.755 -4.802 10.380) 17.132 16.023 ( -12.755 4.802 10.380) 17.132 16.218 ( -14.126 -1.766 -6.651) 15.713 16.218 ( -14.126 1.766 -6.651) 15.713 16.610 ( 12.486 -2.664 3.597) 13.264 16.610 ( 12.486 2.664 3.597) 13.264 16.793 ( 11.485 -5.753 -5.224) 13.867 16.793 ( 11.485 5.753 -5.224) 13.867 17.300 ( -6.870 -17.050 6.476) 19.489 17.300 ( -6.870 17.050 6.476) 19.489 17.472 ( -3.302 -18.344 -5.785) 19.516 17.472 ( -3.302 18.344 -5.785) 19.516 18.404 ( -6.554 -3.547 4.999) 8.974 18.404 ( -6.554 3.547 4.999) 8.974 18.444 ( -5.898 -6.573 0.726) 8.861 18.444 ( -5.898 6.573 0.726) 8.861 18.880 ( 3.612 -1.610 7.548) 8.521 18.880 ( 3.612 1.610 7.548) 8.521 19.033 ( -3.849 -2.371 0.780) 4.588 19.033 ( -3.849 2.371 0.780) 4.588 19.527 ( 7.720 -2.189 -4.745) 9.322 19.527 ( 7.720 2.189 -4.745) 9.322 19.712 ( -2.400 -2.959 -4.263) 5.718 19.712 ( -2.400 2.959 -4.263) 5.718 20.475 ( 9.579 -1.911 4.065) 10.580 20.475 ( 9.579 1.911 4.065) 10.580 20.647 ( 0.448 -4.607 -5.014) 6.824 20.647 ( 0.448 4.607 -5.014) 6.824 25.498 ( 0.254 -0.928 -0.514) 1.091 25.498 ( 0.254 0.928 -0.514) 1.091 25.655 ( -4.139 -1.441 -1.960) 4.801 25.655 ( -4.139 1.441 -1.960) 4.801 25.774 ( -0.432 -1.454 1.441) 2.093 25.774 ( -0.432 1.454 1.441) 2.093 25.859 ( -3.929 -3.609 -6.088) 8.095 25.859 ( -3.929 3.609 -6.088) 8.095 27.803 ( 7.100 -1.771 2.005) 7.587 27.803 ( 7.100 1.771 2.005) 7.587 28.010 ( -3.419 -1.154 0.692) 3.675 28.010 ( -3.419 1.154 0.692) 3.675 29.623 ( 7.738 -1.067 -0.741) 7.846 29.623 ( 7.738 1.067 -0.741) 7.846 29.923 ( -7.081 -0.955 -0.011) 7.145 29.923 ( -7.081 0.955 -0.011) 7.145 ======================= Grid point 272 (96/96) ======================= q-point: (-0.50 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 88 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.942 ( -3.969 -6.365 1.934) 7.746 4.942 ( -0.078 -6.048 1.934) 6.350 4.942 ( 0.078 6.048 1.934) 6.350 4.942 ( 3.969 6.365 1.934) 7.747 5.617 ( -3.387 -4.868 6.147) 8.542 5.617 ( 2.910 -4.791 6.147) 8.319 5.617 ( -2.910 4.791 6.147) 8.319 5.617 ( 3.387 4.868 6.147) 8.542 6.120 ( -1.692 -2.048 4.799) 5.485 6.120 ( 1.312 -1.977 4.799) 5.354 6.120 ( -1.312 1.977 4.799) 5.354 6.120 ( 1.692 2.048 4.799) 5.485 7.220 ( -7.986 -9.305 4.885) 13.199 7.220 ( -3.088 -8.545 4.885) 10.316 7.220 ( 3.088 8.545 4.885) 10.316 7.220 ( 7.986 9.305 4.885) 13.199 7.682 ( -3.478 -1.627 -3.653) 5.300 7.682 ( -2.016 -0.801 -3.653) 4.249 7.682 ( 2.016 0.801 -3.653) 4.249 7.682 ( 3.478 1.627 -3.653) 5.300 8.504 ( -8.729 -12.187 4.389) 15.620 8.504 ( 8.728 -12.187 4.389) 15.620 8.504 ( -8.728 12.187 4.389) 15.620 8.504 ( 8.729 12.187 4.389) 15.620 8.829 ( -7.634 -8.371 -8.616) 14.233 8.829 ( 2.511 -7.555 -8.616) 11.731 8.829 ( -2.510 7.555 -8.616) 11.731 8.829 ( 7.634 8.371 -8.616) 14.233 9.420 ( -1.266 -11.540 -2.372) 11.849 9.420 ( 0.856 -11.531 -2.372) 11.803 9.420 ( -0.856 11.531 -2.372) 11.803 9.420 ( 1.266 11.540 -2.372) 11.849 10.010 ( -8.686 -9.876 4.252) 13.822 10.010 ( 5.520 -9.289 4.252) 11.612 10.010 ( -5.520 9.289 4.252) 11.612 10.010 ( 8.686 9.876 4.252) 13.822 10.680 ( -8.202 -13.922 6.182) 17.300 10.680 ( 0.962 -13.312 6.182) 14.710 10.680 ( -0.962 13.312 6.182) 14.710 10.680 ( 8.202 13.922 6.182) 17.300 10.994 ( -9.326 -9.379 -8.559) 15.754 10.994 ( 7.214 -8.901 -8.559) 14.301 10.994 ( -7.214 8.901 -8.559) 14.301 10.994 ( 9.326 9.379 -8.559) 15.754 11.528 ( -2.336 -2.958 -2.322) 4.427 11.528 ( 2.199 -2.931 -2.322) 4.338 11.528 ( -2.199 2.931 -2.322) 4.338 11.528 ( 2.336 2.958 -2.322) 4.427 12.340 ( -6.115 -17.984 -3.903) 19.392 12.340 ( 5.098 -17.905 -3.903) 19.021 12.340 ( -5.098 17.905 -3.903) 19.021 12.340 ( 6.115 17.984 -3.903) 19.393 13.290 ( -7.075 -16.603 -1.168) 18.086 13.290 ( -2.200 -16.259 -1.168) 16.449 13.290 ( 2.200 16.259 -1.168) 16.449 13.290 ( 7.075 16.603 -1.168) 18.086 13.989 ( -10.669 -12.824 -2.968) 16.944 13.989 ( 0.250 -11.663 -2.968) 12.037 13.989 ( -0.250 11.663 -2.968) 12.037 13.989 ( 10.669 12.824 -2.968) 16.944 15.536 ( -19.838 -5.972 8.010) 22.212 15.536 ( -15.919 0.797 8.010) 17.839 15.536 ( 15.919 -0.797 8.010) 17.839 15.536 ( 19.838 5.972 8.010) 22.212 15.918 ( -9.129 -2.445 -3.360) 10.030 15.918 ( -7.840 -0.712 -3.360) 8.559 15.918 ( 7.840 0.712 -3.360) 8.559 15.918 ( 9.129 2.445 -3.360) 10.030 16.838 ( -7.618 -5.540 2.162) 9.665 16.838 ( 0.521 -4.032 2.162) 4.604 16.838 ( -0.521 4.032 2.162) 4.604 16.838 ( 7.618 5.540 2.162) 9.665 17.339 ( -8.218 -20.629 -1.784) 22.277 17.339 ( 6.557 -20.480 -1.784) 21.578 17.339 ( -6.557 20.480 -1.784) 21.578 17.339 ( 8.218 20.629 -1.784) 22.277 18.355 ( -1.631 -5.783 1.888) 6.298 18.355 ( 1.405 -5.768 1.888) 6.229 18.355 ( -1.405 5.768 1.888) 6.229 18.355 ( 1.631 5.783 1.888) 6.298 18.956 ( -1.979 -5.782 4.327) 7.489 18.956 ( -0.651 -5.706 4.327) 7.191 18.956 ( 0.651 5.706 4.327) 7.191 18.956 ( 1.979 5.782 4.327) 7.489 19.645 ( -3.507 -5.492 -4.439) 7.885 19.645 ( 0.434 -5.210 -4.439) 6.858 19.645 ( -0.434 5.210 -4.439) 6.858 19.645 ( 3.507 5.492 -4.439) 7.885 20.613 ( -3.859 -4.128 0.121) 5.652 20.613 ( 0.796 -3.671 0.121) 3.759 20.613 ( -0.796 3.671 0.121) 3.759 20.613 ( 3.859 4.128 0.121) 5.652 25.550 ( -2.672 -5.225 -1.470) 6.050 25.550 ( -1.421 -5.101 -1.470) 5.496 25.550 ( 1.421 5.101 -1.470) 5.496 25.550 ( 2.672 5.225 -1.470) 6.050 25.800 ( -2.499 -2.100 -2.575) 4.158 25.800 ( 2.484 -2.095 -2.575) 4.146 25.800 ( -2.484 2.095 -2.575) 4.146 25.800 ( 2.499 2.100 -2.575) 4.158 27.926 ( -2.339 -8.836 1.514) 9.265 27.926 ( -0.811 -8.768 1.514) 8.934 27.926 ( 0.811 8.768 1.514) 8.934 27.926 ( 2.339 8.836 1.514) 9.265 29.776 ( -2.299 -17.435 -0.357) 17.590 29.776 ( -1.361 -17.410 -0.357) 17.467 29.776 ( 1.361 17.410 -0.357) 17.467 29.776 ( 2.299 17.435 -0.357) 17.590 =================== 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 3/42768 10.0 17166.632 11849.395 8379.798 0.000 0.000 0.000 3/42768 20.0 15814.324 15925.875 14746.639 0.000 0.000 0.000 3/42768 30.0 5688.950 5577.455 5727.426 0.000 0.000 0.000 3/42768 40.0 2189.047 2205.236 2378.360 0.000 0.000 0.000 3/42768 50.0 1032.609 1065.658 1175.947 0.000 0.000 0.000 3/42768 60.0 579.043 603.616 674.402 0.000 0.000 0.000 3/42768 70.0 366.733 383.019 431.171 0.000 0.000 0.000 3/42768 80.0 252.681 263.405 297.987 0.000 0.000 0.000 3/42768 90.0 184.926 192.104 218.085 0.000 0.000 0.000 3/42768 100.0 141.601 146.499 166.755 0.000 0.000 0.000 3/42768 110.0 112.325 115.723 132.006 0.000 0.000 0.000 3/42768 120.0 91.673 94.061 107.488 0.000 0.000 0.000 3/42768 130.0 76.592 78.286 89.595 0.000 0.000 0.000 3/42768 140.0 65.258 66.465 76.161 0.000 0.000 0.000 3/42768 150.0 56.528 57.390 65.830 0.000 0.000 0.000 3/42768 160.0 49.661 50.274 57.714 0.000 0.000 0.000 3/42768 170.0 44.157 44.588 51.221 0.000 0.000 0.000 3/42768 180.0 39.674 39.971 45.941 0.000 0.000 0.000 3/42768 190.0 35.969 36.166 41.583 0.000 0.000 0.000 3/42768 200.0 32.866 32.989 37.940 0.000 0.000 0.000 3/42768 210.0 30.237 30.304 34.859 0.000 0.000 0.000 3/42768 220.0 27.987 28.012 32.226 0.000 0.000 0.000 3/42768 230.0 26.043 26.036 29.953 0.000 0.000 0.000 3/42768 240.0 24.348 24.317 27.976 0.000 0.000 0.000 3/42768 250.0 22.860 22.810 26.241 0.000 0.000 0.000 3/42768 260.0 21.543 21.480 24.709 0.000 0.000 0.000 3/42768 270.0 20.371 20.298 23.347 0.000 0.000 0.000 3/42768 280.0 19.322 19.241 22.129 0.000 0.000 0.000 3/42768 290.0 18.377 18.291 21.033 0.000 0.000 0.000 3/42768 300.0 17.522 17.433 20.043 0.000 0.000 0.000 3/42768 310.0 16.745 16.653 19.144 0.000 0.000 0.000 3/42768 320.0 16.035 15.943 18.324 0.000 0.000 0.000 3/42768 330.0 15.385 15.293 17.574 0.000 0.000 0.000 3/42768 340.0 14.788 14.696 16.884 0.000 0.000 0.000 3/42768 350.0 14.236 14.145 16.249 0.000 0.000 0.000 3/42768 360.0 13.726 13.636 15.661 0.000 0.000 0.000 3/42768 370.0 13.253 13.164 15.116 0.000 0.000 0.000 3/42768 380.0 12.812 12.725 14.609 0.000 0.000 0.000 3/42768 390.0 12.400 12.315 14.136 0.000 0.000 0.000 3/42768 400.0 12.016 11.932 13.694 0.000 0.000 0.000 3/42768 410.0 11.655 11.574 13.280 0.000 0.000 0.000 3/42768 420.0 11.316 11.237 12.891 0.000 0.000 0.000 3/42768 430.0 10.997 10.920 12.525 0.000 0.000 0.000 3/42768 440.0 10.697 10.622 12.181 0.000 0.000 0.000 3/42768 450.0 10.413 10.340 11.855 0.000 0.000 0.000 3/42768 460.0 10.144 10.073 11.548 0.000 0.000 0.000 3/42768 470.0 9.889 9.820 11.256 0.000 0.000 0.000 3/42768 480.0 9.648 9.581 10.980 0.000 0.000 0.000 3/42768 490.0 9.418 9.353 10.717 0.000 0.000 0.000 3/42768 500.0 9.200 9.136 10.467 0.000 0.000 0.000 3/42768 510.0 8.991 8.930 10.229 0.000 0.000 0.000 3/42768 520.0 8.793 8.733 10.002 0.000 0.000 0.000 3/42768 530.0 8.603 8.545 9.785 0.000 0.000 0.000 3/42768 540.0 8.422 8.365 9.578 0.000 0.000 0.000 3/42768 550.0 8.248 8.193 9.380 0.000 0.000 0.000 3/42768 560.0 8.082 8.028 9.190 0.000 0.000 0.000 3/42768 570.0 7.922 7.870 9.008 0.000 0.000 0.000 3/42768 580.0 7.769 7.718 8.833 0.000 0.000 0.000 3/42768 590.0 7.622 7.572 8.665 0.000 0.000 0.000 3/42768 600.0 7.481 7.432 8.504 0.000 0.000 0.000 3/42768 610.0 7.344 7.297 8.348 0.000 0.000 0.000 3/42768 620.0 7.213 7.168 8.199 0.000 0.000 0.000 3/42768 630.0 7.087 7.042 8.055 0.000 0.000 0.000 3/42768 640.0 6.965 6.922 7.916 0.000 0.000 0.000 3/42768 650.0 6.848 6.805 7.782 0.000 0.000 0.000 3/42768 660.0 6.734 6.693 7.653 0.000 0.000 0.000 3/42768 670.0 6.624 6.584 7.528 0.000 0.000 0.000 3/42768 680.0 6.518 6.479 7.407 0.000 0.000 0.000 3/42768 690.0 6.416 6.377 7.290 0.000 0.000 0.000 3/42768 700.0 6.316 6.279 7.177 0.000 0.000 0.000 3/42768 710.0 6.220 6.183 7.067 0.000 0.000 0.000 3/42768 720.0 6.127 6.091 6.961 0.000 0.000 0.000 3/42768 730.0 6.036 6.001 6.858 0.000 0.000 0.000 3/42768 740.0 5.948 5.914 6.758 0.000 0.000 0.000 3/42768 750.0 5.863 5.830 6.661 0.000 0.000 0.000 3/42768 760.0 5.781 5.748 6.567 0.000 0.000 0.000 3/42768 770.0 5.700 5.668 6.475 0.000 0.000 0.000 3/42768 780.0 5.622 5.591 6.386 0.000 0.000 0.000 3/42768 790.0 5.546 5.515 6.300 0.000 0.000 0.000 3/42768 800.0 5.473 5.442 6.216 0.000 0.000 0.000 3/42768 810.0 5.401 5.371 6.134 0.000 0.000 0.000 3/42768 820.0 5.331 5.302 6.055 0.000 0.000 0.000 3/42768 830.0 5.263 5.234 5.977 0.000 0.000 0.000 3/42768 840.0 5.196 5.168 5.902 0.000 0.000 0.000 3/42768 850.0 5.132 5.104 5.828 0.000 0.000 0.000 3/42768 860.0 5.069 5.042 5.757 0.000 0.000 0.000 3/42768 870.0 5.007 4.981 5.687 0.000 0.000 0.000 3/42768 880.0 4.947 4.921 5.618 0.000 0.000 0.000 3/42768 890.0 4.889 4.863 5.552 0.000 0.000 0.000 3/42768 900.0 4.832 4.806 5.487 0.000 0.000 0.000 3/42768 910.0 4.776 4.751 5.423 0.000 0.000 0.000 3/42768 920.0 4.721 4.697 5.362 0.000 0.000 0.000 3/42768 930.0 4.668 4.644 5.301 0.000 0.000 0.000 3/42768 940.0 4.616 4.593 5.242 0.000 0.000 0.000 3/42768 950.0 4.565 4.542 5.184 0.000 0.000 0.000 3/42768 960.0 4.516 4.493 5.128 0.000 0.000 0.000 3/42768 970.0 4.467 4.445 5.072 0.000 0.000 0.000 3/42768 980.0 4.419 4.397 5.018 0.000 0.000 0.000 3/42768 990.0 4.373 4.351 4.965 0.000 0.000 0.000 3/42768 1000.0 4.327 4.306 4.913 0.000 0.000 0.000 3/42768 Thermal conductivity related properties were written into "kappa-m6611.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:47:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|