----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:41:19]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.266133960854112 -2.601298524999999 0.000000000000000 b 6.266133960854112 2.601298524999999 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): *1 O 0.86344834255795 0.13655165744205 0.25000000000000 15.999 2 O 0.13655165744205 0.86344834255795 0.75000000000000 15.999 *3 O 0.90658133977954 0.79014872533490 0.32679037854789 15.999 4 O 0.20985127466511 0.09341866022045 0.17320962145211 15.999 5 O 0.09341866022046 0.20985127466510 0.67320962145210 15.999 6 O 0.79014872533490 0.90658133977954 0.82679037854790 15.999 *7 O 0.56370731114474 0.38708622909417 0.39892980272591 15.999 8 O 0.61291377090583 0.43629268885526 0.10107019727409 15.999 9 O 0.43629268885526 0.61291377090583 0.60107019727409 15.999 10 O 0.38708622909417 0.56370731114474 0.89892980272591 15.999 *11 O 0.18863352306836 0.95215613226292 0.45267353275629 15.999 12 O 0.04784386773708 0.81136647693164 0.04732646724371 15.999 *13 O 0.18283592847608 0.31959174254045 0.86903708156480 15.999 14 O 0.68040825745954 0.81716407152392 0.63096291843520 15.999 15 O 0.81716407152392 0.68040825745954 0.13096291843520 15.999 16 O 0.31959174254046 0.18283592847608 0.36903708156480 15.999 *17 O 0.66662032944793 0.74871811182986 0.94322104832369 15.999 18 O 0.25128188817014 0.33337967055207 0.55677895167631 15.999 19 O 0.33337967055207 0.25128188817014 0.05677895167631 15.999 20 O 0.74871811182986 0.66662032944793 0.44322104832369 15.999 21 O 0.95215613226292 0.18863352306836 0.95267353275629 15.999 22 O 0.81136647693164 0.04784386773707 0.54732646724371 15.999 *23 Te 0.84946997538569 0.39719157504508 0.20355431036118 127.600 24 Te 0.60280842495492 0.15053002461431 0.29644568963882 127.600 25 Te 0.15053002461431 0.60280842495492 0.79644568963882 127.600 26 Te 0.39719157504508 0.84946997538569 0.70355431036118 127.600 *27 Te 0.41012424957778 0.84341842391817 0.36993716489255 127.600 28 Te 0.15658157608183 0.58987575042222 0.13006283510746 127.600 29 Te 0.58987575042222 0.15658157608183 0.63006283510745 127.600 30 Te 0.84341842391817 0.41012424957778 0.86993716489255 127.600 *31 Nd 0.37372770516870 0.86271802946104 0.03749105888087 144.242 32 Nd 0.13728197053896 0.62627229483130 0.46250894111913 144.242 33 Nd 0.62627229483130 0.13728197053896 0.96250894111913 144.242 34 Nd 0.86271802946104 0.37372770516870 0.53749105888087 144.242 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.532267921708224 0.000000000000000 0.000000000000000 b 0.000000000000000 5.202597049999999 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): *1 O 0.00000000000000 0.13655165744205 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.86344834255795 0.75000000000000 15.999 > 2 *3 O 0.84836503255722 0.94178369277768 0.32679037854789 15.999 > 3 4 O 0.65163496744278 0.44178369277767 0.17320962145211 15.999 > 4 5 O 0.15163496744278 0.05821630722232 0.67320962145210 15.999 > 5 6 O 0.34836503255722 0.55821630722232 0.82679037854790 15.999 > 6 *7 O 0.97539677011946 0.41168945897471 0.39892980272591 15.999 > 7 8 O 0.02460322988054 0.41168945897471 0.10107019727409 15.999 > 8 9 O 0.02460322988054 0.58831054102529 0.60107019727409 15.999 > 9 10 O 0.97539677011946 0.58831054102529 0.89892980272591 15.999 > 10 *11 O 0.07039482766564 0.88176130459728 0.45267353275629 15.999 > 11 12 O 0.92960517233436 0.88176130459728 0.04732646724371 15.999 > 12 *13 O 0.25121383550827 0.06837790703219 0.86903708156480 15.999 > 13 14 O 0.24878616449173 0.56837790703219 0.63096291843520 15.999 > 14 15 O 0.74878616449173 0.93162209296781 0.13096291843520 15.999 > 15 16 O 0.75121383550827 0.43162209296781 0.36903708156480 15.999 > 16 *17 O 0.20766922063889 0.54104889119096 0.94322104832369 15.999 > 17 18 O 0.79233077936111 0.54104889119096 0.55677895167631 15.999 > 18 19 O 0.79233077936111 0.45895110880904 0.05677895167631 15.999 > 19 20 O 0.20766922063889 0.45895110880904 0.44322104832369 15.999 > 20 21 O 0.07039482766564 0.11823869540272 0.95267353275629 15.999 > 21 22 O 0.92960517233436 0.11823869540272 0.54732646724371 15.999 > 22 23 O 0.50000000000000 0.63655165744205 0.25000000000000 15.999 > 1 24 O 0.50000000000000 0.36344834255795 0.75000000000000 15.999 > 2 25 O 0.34836503255722 0.44178369277767 0.32679037854789 15.999 > 3 26 O 0.15163496744278 0.94178369277768 0.17320962145211 15.999 > 4 27 O 0.65163496744278 0.55821630722232 0.67320962145210 15.999 > 5 28 O 0.84836503255722 0.05821630722232 0.82679037854790 15.999 > 6 29 O 0.47539677011946 0.91168945897471 0.39892980272591 15.999 > 7 30 O 0.52460322988054 0.91168945897471 0.10107019727409 15.999 > 8 31 O 0.52460322988054 0.08831054102529 0.60107019727409 15.999 > 9 32 O 0.47539677011946 0.08831054102529 0.89892980272591 15.999 > 10 33 O 0.57039482766564 0.38176130459729 0.45267353275629 15.999 > 11 34 O 0.42960517233436 0.38176130459729 0.04732646724371 15.999 > 12 35 O 0.75121383550827 0.56837790703219 0.86903708156480 15.999 > 13 36 O 0.74878616449173 0.06837790703219 0.63096291843520 15.999 > 14 37 O 0.24878616449173 0.43162209296781 0.13096291843520 15.999 > 15 38 O 0.25121383550827 0.93162209296781 0.36903708156480 15.999 > 16 39 O 0.70766922063889 0.04104889119096 0.94322104832369 15.999 > 17 40 O 0.29233077936111 0.04104889119096 0.55677895167631 15.999 > 18 41 O 0.29233077936111 0.95895110880904 0.05677895167631 15.999 > 19 42 O 0.70766922063889 0.95895110880904 0.44322104832369 15.999 > 20 43 O 0.57039482766564 0.61823869540272 0.95267353275629 15.999 > 21 44 O 0.42960517233436 0.61823869540272 0.54732646724371 15.999 > 22 *45 Te 0.62333077521538 0.77386079982970 0.20355431036118 127.600 > 23 46 Te 0.87666922478462 0.27386079982970 0.29644568963882 127.600 > 24 47 Te 0.37666922478462 0.22613920017030 0.79644568963882 127.600 > 25 48 Te 0.12333077521538 0.72613920017030 0.70355431036118 127.600 > 26 *49 Te 0.12677133674797 0.71664708717019 0.36993716489255 127.600 > 27 50 Te 0.87322866325203 0.71664708717019 0.13006283510746 127.600 > 28 51 Te 0.87322866325203 0.28335291282981 0.63006283510745 127.600 > 29 52 Te 0.12677133674797 0.28335291282981 0.86993716489255 127.600 > 30 53 Te 0.12333077521538 0.27386079982970 0.20355431036118 127.600 > 23 54 Te 0.37666922478462 0.77386079982970 0.29644568963882 127.600 > 24 55 Te 0.87666922478462 0.72613920017030 0.79644568963882 127.600 > 25 56 Te 0.62333077521538 0.22613920017030 0.70355431036118 127.600 > 26 57 Te 0.62677133674797 0.21664708717019 0.36993716489255 127.600 > 27 58 Te 0.37322866325203 0.21664708717019 0.13006283510746 127.600 > 28 59 Te 0.37322866325203 0.78335291282981 0.63006283510745 127.600 > 29 60 Te 0.62677133674797 0.78335291282981 0.86993716489255 127.600 > 30 *61 Nd 0.61822286731487 0.24449516214617 0.03749105888087 144.242 > 31 62 Nd 0.88177713268513 0.74449516214617 0.46250894111913 144.242 > 32 63 Nd 0.38177713268513 0.75550483785383 0.96250894111913 144.242 > 33 64 Nd 0.11822286731487 0.25550483785383 0.53749105888087 144.242 > 34 65 Nd 0.11822286731487 0.74449516214617 0.03749105888087 144.242 > 31 66 Nd 0.38177713268513 0.24449516214617 0.46250894111913 144.242 > 32 67 Nd 0.88177713268513 0.25550483785383 0.96250894111913 144.242 > 33 68 Nd 0.61822286731487 0.75550483785383 0.53749105888087 144.242 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.532267921708224 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405194099999997 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): *1 O 0.00000000000000 0.06827582872102 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56827582872102 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43172417127898 0.75000000000000 15.999 > 2 4 O 0.00000000000000 0.93172417127898 0.75000000000000 15.999 > 2 *5 O 0.84836503255722 0.47089184638884 0.32679037854789 15.999 > 3 6 O 0.84836503255722 0.97089184638884 0.32679037854789 15.999 > 3 7 O 0.65163496744278 0.22089184638884 0.17320962145211 15.999 > 4 8 O 0.65163496744278 0.72089184638884 0.17320962145211 15.999 > 4 9 O 0.15163496744278 0.02910815361116 0.67320962145210 15.999 > 5 10 O 0.15163496744278 0.52910815361116 0.67320962145210 15.999 > 5 11 O 0.34836503255722 0.27910815361116 0.82679037854790 15.999 > 6 12 O 0.34836503255722 0.77910815361116 0.82679037854790 15.999 > 6 *13 O 0.97539677011946 0.20584472948736 0.39892980272591 15.999 > 7 14 O 0.97539677011946 0.70584472948736 0.39892980272591 15.999 > 7 15 O 0.02460322988054 0.20584472948736 0.10107019727409 15.999 > 8 16 O 0.02460322988054 0.70584472948736 0.10107019727409 15.999 > 8 17 O 0.02460322988054 0.29415527051264 0.60107019727409 15.999 > 9 18 O 0.02460322988054 0.79415527051264 0.60107019727409 15.999 > 9 19 O 0.97539677011946 0.29415527051264 0.89892980272591 15.999 > 10 20 O 0.97539677011946 0.79415527051264 0.89892980272591 15.999 > 10 *21 O 0.07039482766564 0.44088065229864 0.45267353275629 15.999 > 11 22 O 0.07039482766564 0.94088065229864 0.45267353275629 15.999 > 11 23 O 0.92960517233436 0.44088065229864 0.04732646724371 15.999 > 12 24 O 0.92960517233436 0.94088065229864 0.04732646724371 15.999 > 12 *25 O 0.25121383550827 0.03418895351609 0.86903708156480 15.999 > 13 26 O 0.25121383550827 0.53418895351609 0.86903708156480 15.999 > 13 27 O 0.24878616449173 0.28418895351609 0.63096291843520 15.999 > 14 28 O 0.24878616449173 0.78418895351609 0.63096291843520 15.999 > 14 29 O 0.74878616449173 0.46581104648391 0.13096291843520 15.999 > 15 30 O 0.74878616449173 0.96581104648391 0.13096291843520 15.999 > 15 31 O 0.75121383550827 0.21581104648391 0.36903708156480 15.999 > 16 32 O 0.75121383550827 0.71581104648391 0.36903708156480 15.999 > 16 *33 O 0.20766922063889 0.27052444559548 0.94322104832369 15.999 > 17 34 O 0.20766922063889 0.77052444559548 0.94322104832369 15.999 > 17 35 O 0.79233077936111 0.27052444559548 0.55677895167631 15.999 > 18 36 O 0.79233077936111 0.77052444559548 0.55677895167631 15.999 > 18 37 O 0.79233077936111 0.22947555440452 0.05677895167631 15.999 > 19 38 O 0.79233077936111 0.72947555440452 0.05677895167631 15.999 > 19 39 O 0.20766922063889 0.22947555440452 0.44322104832369 15.999 > 20 40 O 0.20766922063889 0.72947555440452 0.44322104832369 15.999 > 20 41 O 0.07039482766564 0.05911934770136 0.95267353275629 15.999 > 21 42 O 0.07039482766564 0.55911934770136 0.95267353275629 15.999 > 21 43 O 0.92960517233436 0.05911934770136 0.54732646724371 15.999 > 22 44 O 0.92960517233436 0.55911934770136 0.54732646724371 15.999 > 22 45 O 0.50000000000000 0.31827582872102 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81827582872102 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18172417127898 0.75000000000000 15.999 > 2 48 O 0.50000000000000 0.68172417127898 0.75000000000000 15.999 > 2 49 O 0.34836503255722 0.22089184638884 0.32679037854789 15.999 > 3 50 O 0.34836503255722 0.72089184638884 0.32679037854789 15.999 > 3 51 O 0.15163496744278 0.47089184638884 0.17320962145211 15.999 > 4 52 O 0.15163496744278 0.97089184638884 0.17320962145211 15.999 > 4 53 O 0.65163496744278 0.27910815361116 0.67320962145210 15.999 > 5 54 O 0.65163496744278 0.77910815361116 0.67320962145210 15.999 > 5 55 O 0.84836503255722 0.02910815361116 0.82679037854790 15.999 > 6 56 O 0.84836503255722 0.52910815361116 0.82679037854790 15.999 > 6 57 O 0.47539677011946 0.45584472948736 0.39892980272591 15.999 > 7 58 O 0.47539677011946 0.95584472948736 0.39892980272591 15.999 > 7 59 O 0.52460322988054 0.45584472948736 0.10107019727409 15.999 > 8 60 O 0.52460322988054 0.95584472948736 0.10107019727409 15.999 > 8 61 O 0.52460322988054 0.04415527051264 0.60107019727409 15.999 > 9 62 O 0.52460322988054 0.54415527051264 0.60107019727409 15.999 > 9 63 O 0.47539677011946 0.04415527051264 0.89892980272591 15.999 > 10 64 O 0.47539677011946 0.54415527051264 0.89892980272591 15.999 > 10 65 O 0.57039482766564 0.19088065229864 0.45267353275629 15.999 > 11 66 O 0.57039482766564 0.69088065229864 0.45267353275629 15.999 > 11 67 O 0.42960517233436 0.19088065229864 0.04732646724371 15.999 > 12 68 O 0.42960517233436 0.69088065229864 0.04732646724371 15.999 > 12 69 O 0.75121383550827 0.28418895351609 0.86903708156480 15.999 > 13 70 O 0.75121383550827 0.78418895351609 0.86903708156480 15.999 > 13 71 O 0.74878616449173 0.03418895351609 0.63096291843520 15.999 > 14 72 O 0.74878616449173 0.53418895351609 0.63096291843520 15.999 > 14 73 O 0.24878616449173 0.21581104648391 0.13096291843520 15.999 > 15 74 O 0.24878616449173 0.71581104648391 0.13096291843520 15.999 > 15 75 O 0.25121383550827 0.46581104648391 0.36903708156480 15.999 > 16 76 O 0.25121383550827 0.96581104648391 0.36903708156480 15.999 > 16 77 O 0.70766922063889 0.02052444559548 0.94322104832369 15.999 > 17 78 O 0.70766922063889 0.52052444559548 0.94322104832369 15.999 > 17 79 O 0.29233077936111 0.02052444559548 0.55677895167631 15.999 > 18 80 O 0.29233077936111 0.52052444559548 0.55677895167631 15.999 > 18 81 O 0.29233077936111 0.47947555440452 0.05677895167631 15.999 > 19 82 O 0.29233077936111 0.97947555440452 0.05677895167631 15.999 > 19 83 O 0.70766922063889 0.47947555440452 0.44322104832369 15.999 > 20 84 O 0.70766922063889 0.97947555440452 0.44322104832369 15.999 > 20 85 O 0.57039482766564 0.30911934770136 0.95267353275629 15.999 > 21 86 O 0.57039482766564 0.80911934770136 0.95267353275629 15.999 > 21 87 O 0.42960517233436 0.30911934770136 0.54732646724371 15.999 > 22 88 O 0.42960517233436 0.80911934770136 0.54732646724371 15.999 > 22 *89 Te 0.62333077521538 0.38693039991485 0.20355431036118 127.600 > 23 90 Te 0.62333077521538 0.88693039991485 0.20355431036118 127.600 > 23 91 Te 0.87666922478462 0.13693039991485 0.29644568963882 127.600 > 24 92 Te 0.87666922478462 0.63693039991485 0.29644568963882 127.600 > 24 93 Te 0.37666922478462 0.11306960008515 0.79644568963882 127.600 > 25 94 Te 0.37666922478462 0.61306960008515 0.79644568963882 127.600 > 25 95 Te 0.12333077521538 0.36306960008515 0.70355431036118 127.600 > 26 96 Te 0.12333077521538 0.86306960008515 0.70355431036118 127.600 > 26 *97 Te 0.12677133674797 0.35832354358510 0.36993716489255 127.600 > 27 98 Te 0.12677133674797 0.85832354358510 0.36993716489255 127.600 > 27 99 Te 0.87322866325203 0.35832354358510 0.13006283510746 127.600 > 28 100 Te 0.87322866325203 0.85832354358510 0.13006283510746 127.600 > 28 101 Te 0.87322866325203 0.14167645641490 0.63006283510745 127.600 > 29 102 Te 0.87322866325203 0.64167645641490 0.63006283510745 127.600 > 29 103 Te 0.12677133674797 0.14167645641490 0.86993716489255 127.600 > 30 104 Te 0.12677133674797 0.64167645641490 0.86993716489255 127.600 > 30 105 Te 0.12333077521538 0.13693039991485 0.20355431036118 127.600 > 23 106 Te 0.12333077521538 0.63693039991485 0.20355431036118 127.600 > 23 107 Te 0.37666922478462 0.38693039991485 0.29644568963882 127.600 > 24 108 Te 0.37666922478462 0.88693039991485 0.29644568963882 127.600 > 24 109 Te 0.87666922478462 0.36306960008515 0.79644568963882 127.600 > 25 110 Te 0.87666922478462 0.86306960008515 0.79644568963882 127.600 > 25 111 Te 0.62333077521538 0.11306960008515 0.70355431036118 127.600 > 26 112 Te 0.62333077521538 0.61306960008515 0.70355431036118 127.600 > 26 113 Te 0.62677133674797 0.10832354358510 0.36993716489255 127.600 > 27 114 Te 0.62677133674797 0.60832354358510 0.36993716489255 127.600 > 27 115 Te 0.37322866325203 0.10832354358510 0.13006283510746 127.600 > 28 116 Te 0.37322866325203 0.60832354358510 0.13006283510746 127.600 > 28 117 Te 0.37322866325203 0.39167645641490 0.63006283510745 127.600 > 29 118 Te 0.37322866325203 0.89167645641490 0.63006283510745 127.600 > 29 119 Te 0.62677133674797 0.39167645641490 0.86993716489255 127.600 > 30 120 Te 0.62677133674797 0.89167645641490 0.86993716489255 127.600 > 30 *121 Nd 0.61822286731487 0.12224758107309 0.03749105888087 144.242 > 31 122 Nd 0.61822286731487 0.62224758107309 0.03749105888087 144.242 > 31 123 Nd 0.88177713268513 0.37224758107309 0.46250894111913 144.242 > 32 124 Nd 0.88177713268513 0.87224758107309 0.46250894111913 144.242 > 32 125 Nd 0.38177713268513 0.37775241892691 0.96250894111913 144.242 > 33 126 Nd 0.38177713268513 0.87775241892691 0.96250894111913 144.242 > 33 127 Nd 0.11822286731487 0.12775241892691 0.53749105888087 144.242 > 34 128 Nd 0.11822286731487 0.62775241892691 0.53749105888087 144.242 > 34 129 Nd 0.11822286731487 0.37224758107309 0.03749105888087 144.242 > 31 130 Nd 0.11822286731487 0.87224758107309 0.03749105888087 144.242 > 31 131 Nd 0.38177713268513 0.12224758107309 0.46250894111913 144.242 > 32 132 Nd 0.38177713268513 0.62224758107309 0.46250894111913 144.242 > 32 133 Nd 0.88177713268513 0.12775241892691 0.96250894111913 144.242 > 33 134 Nd 0.88177713268513 0.62775241892691 0.96250894111913 144.242 > 33 135 Nd 0.61822286731487 0.37775241892691 0.53749105888087 144.242 > 34 136 Nd 0.61822286731487 0.87775241892691 0.53749105888087 144.242 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3556543 0.0000000 -0.5330595 0.0000000 4.8374762 0.0000000 -0.5330594 0.0000000 4.6051692 -------------------------- Born effective charges -------------------------- 1 O -4.4889005 0.0000000 0.9176885 0.0000000 -1.6427509 0.0000000 1.7328893 0.0000000 -1.6587270 2 O -4.4889005 0.0000000 0.9176885 0.0000000 -1.6427509 0.0000000 1.7328893 0.0000000 -1.6587270 3 O -1.6699800 -0.7498919 0.3987415 -0.3378076 -2.6883475 0.8635505 0.1213888 0.4965049 -1.9370756 4 O -1.6699800 0.7498919 0.3987415 0.3378076 -2.6883475 -0.8635505 0.1213888 -0.4965049 -1.9370756 5 O -1.6699800 -0.7498919 0.3987415 -0.3378076 -2.6883475 0.8635505 0.1213888 0.4965049 -1.9370756 6 O -1.6699800 0.7498919 0.3987415 0.3378076 -2.6883475 -0.8635505 0.1213888 -0.4965049 -1.9370756 7 O -2.2696863 -0.3585309 -0.3589159 -0.4199947 -1.9763098 -0.7688657 -0.4037478 -0.5367838 -2.6390020 8 O -2.2696863 0.3585309 -0.3589159 0.4199947 -1.9763098 0.7688657 -0.4037478 0.5367838 -2.6390020 9 O -2.2696863 -0.3585309 -0.3589159 -0.4199947 -1.9763098 -0.7688657 -0.4037478 -0.5367838 -2.6390020 10 O -2.2696863 0.3585309 -0.3589159 0.4199947 -1.9763098 0.7688657 -0.4037478 0.5367838 -2.6390020 11 O -2.4127793 0.3141210 1.0005300 0.4134536 -2.1240811 -1.0478928 0.5627675 -0.8881496 -2.1906423 12 O -2.4127793 -0.3141210 1.0005300 -0.4134536 -2.1240811 1.0478928 0.5627675 0.8881496 -2.1906423 13 O -3.7337348 0.7851248 0.3272365 1.0047751 -1.9830263 0.3094923 0.7064322 -0.0222639 -1.6170709 14 O -3.7337348 -0.7851248 0.3272365 -1.0047751 -1.9830263 -0.3094923 0.7064322 0.0222639 -1.6170709 15 O -3.7337348 0.7851248 0.3272365 1.0047751 -1.9830263 0.3094923 0.7064322 -0.0222639 -1.6170709 16 O -3.7337348 -0.7851248 0.3272365 -1.0047751 -1.9830263 -0.3094923 0.7064322 0.0222639 -1.6170709 17 O -2.1125482 -0.3572170 -0.0365433 -0.3945072 -2.3799284 -1.3110972 -0.1059871 -0.8979975 -2.0497924 18 O -2.1125482 0.3572170 -0.0365433 0.3945072 -2.3799284 1.3110972 -0.1059871 0.8979975 -2.0497924 19 O -2.1125482 -0.3572170 -0.0365433 -0.3945072 -2.3799284 -1.3110972 -0.1059871 -0.8979975 -2.0497924 20 O -2.1125482 0.3572170 -0.0365433 0.3945072 -2.3799284 1.3110972 -0.1059871 0.8979975 -2.0497924 21 O -2.4127793 -0.3141210 1.0005300 -0.4134536 -2.1240811 1.0478928 0.5627675 0.8881496 -2.1906423 22 O -2.4127793 0.3141210 1.0005300 0.4134536 -2.1240811 -1.0478928 0.5627675 -0.8881496 -2.1906423 23 Te 5.6069123 0.7208265 -0.9627913 0.0753361 3.4409139 -0.7200726 -1.0396105 -0.9675529 3.6215498 24 Te 5.6069123 -0.7208265 -0.9627913 -0.0753361 3.4409139 0.7200726 -1.0396105 0.9675529 3.6215498 25 Te 5.6069123 0.7208265 -0.9627913 0.0753361 3.4409139 -0.7200726 -1.0396105 -0.9675529 3.6215498 26 Te 5.6069123 -0.7208265 -0.9627913 -0.0753361 3.4409139 0.7200726 -1.0396105 0.9675529 3.6215498 27 Te 4.6856200 0.8507958 -0.3880013 0.4021876 3.9741444 -0.6362255 -0.4204722 -0.6576278 2.9666040 28 Te 4.6856200 -0.8507958 -0.3880013 -0.4021876 3.9741444 0.6362255 -0.4204722 0.6576278 2.9666040 29 Te 4.6856200 0.8507958 -0.3880013 0.4021876 3.9741444 -0.6362255 -0.4204722 -0.6576278 2.9666040 30 Te 4.6856200 -0.8507958 -0.3880013 -0.4021876 3.9741444 0.6362255 -0.4204722 0.6576278 2.9666040 31 Nd 4.1506465 0.0924356 -0.4391004 0.0295387 4.5580104 0.2272754 -0.2872156 -0.0793758 4.6747928 32 Nd 4.1506465 -0.0924356 -0.4391004 -0.0295387 4.5580104 -0.2272754 -0.2872156 0.0793758 4.6747928 33 Nd 4.1506465 0.0924356 -0.4391004 0.0295387 4.5580104 0.2272754 -0.2872156 -0.0793758 4.6747928 34 Nd 4.1506465 -0.0924356 -0.4391004 -0.0295387 4.5580104 -0.2272754 -0.2872156 0.0793758 4.6747928 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1040 - Time: 1.655 Solver_block: 200 / 1040 - Time: 1.602 Solver_block: 300 / 1040 - Time: 1.573 Solver_block: 400 / 1040 - Time: 1.594 Solver_block: 500 / 1040 - Time: 1.593 Solver_block: 600 / 1040 - Time: 1.586 Solver_block: 700 / 1040 - Time: 1.599 Solver_block: 800 / 1040 - Time: 1.559 Solver_block: 900 / 1040 - Time: 1.599 Solver_block: 1000 / 1040 - Time: 1.596 Solver_block: 1040 / 1040 - Time: 0.743 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.130 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 25986/25986 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5357 Number of blocks in projector: 5357 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: 1160 Use submatrix version of eigh solver. (1) Block: 500 / 1160 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1160 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1160 / 1160 (1) 153 eigenvectors found. (1) Complementary block size: 37 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1152 Use submatrix version of eigh solver. (1) Block: 500 / 1152 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1152 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1152 / 1152 (1) 138 eigenvectors found. (1) Complementary block size: 45 (1) Compute compressed projector. (1) Use standard solver. (1) 29 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 631 Use submatrix version of eigh solver. (1) Block: 500 / 631 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 631 / 631 (1) 123 eigenvectors found. (1) Complementary block size: 17 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (5357, 5281), data: False |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (631, 622), data: False |-- (631, 8), data: (631, 17) @ (17, 8) |-- (131, 123), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1152, 1136), data: False |-- (1152, 29), data: (1152, 45) @ (45, 29) |-- (152, 138), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 236), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1160, 1143), data: False |-- (1160, 20), data: (1160, 37) @ (37, 20) |-- (160, 153), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:42:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:42:31]------------------------- 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 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.266133960854112 -2.601298524999999 0.000000000000000 b 6.266133960854112 2.601298524999999 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): 1 O 0.86344834255795 0.13655165744205 0.25000000000000 15.999 2 O 0.13655165744205 0.86344834255795 0.75000000000000 15.999 3 O 0.90658133977954 0.79014872533490 0.32679037854789 15.999 4 O 0.20985127466511 0.09341866022045 0.17320962145211 15.999 5 O 0.09341866022046 0.20985127466510 0.67320962145210 15.999 6 O 0.79014872533490 0.90658133977954 0.82679037854790 15.999 7 O 0.56370731114474 0.38708622909417 0.39892980272591 15.999 8 O 0.61291377090583 0.43629268885526 0.10107019727409 15.999 9 O 0.43629268885526 0.61291377090583 0.60107019727409 15.999 10 O 0.38708622909417 0.56370731114474 0.89892980272591 15.999 11 O 0.18863352306836 0.95215613226292 0.45267353275629 15.999 12 O 0.04784386773708 0.81136647693164 0.04732646724371 15.999 13 O 0.18283592847608 0.31959174254045 0.86903708156480 15.999 14 O 0.68040825745954 0.81716407152392 0.63096291843520 15.999 15 O 0.81716407152392 0.68040825745954 0.13096291843520 15.999 16 O 0.31959174254046 0.18283592847608 0.36903708156480 15.999 17 O 0.66662032944793 0.74871811182986 0.94322104832369 15.999 18 O 0.25128188817014 0.33337967055207 0.55677895167631 15.999 19 O 0.33337967055207 0.25128188817014 0.05677895167631 15.999 20 O 0.74871811182986 0.66662032944793 0.44322104832369 15.999 21 O 0.95215613226292 0.18863352306836 0.95267353275629 15.999 22 O 0.81136647693164 0.04784386773707 0.54732646724371 15.999 23 Te 0.84946997538569 0.39719157504508 0.20355431036118 127.600 24 Te 0.60280842495492 0.15053002461431 0.29644568963882 127.600 25 Te 0.15053002461431 0.60280842495492 0.79644568963882 127.600 26 Te 0.39719157504508 0.84946997538569 0.70355431036118 127.600 27 Te 0.41012424957778 0.84341842391817 0.36993716489255 127.600 28 Te 0.15658157608183 0.58987575042222 0.13006283510746 127.600 29 Te 0.58987575042222 0.15658157608183 0.63006283510745 127.600 30 Te 0.84341842391817 0.41012424957778 0.86993716489255 127.600 31 Nd 0.37372770516870 0.86271802946104 0.03749105888087 144.242 32 Nd 0.13728197053896 0.62627229483130 0.46250894111913 144.242 33 Nd 0.62627229483130 0.13728197053896 0.96250894111913 144.242 34 Nd 0.86271802946104 0.37372770516870 0.53749105888087 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.532267921708224 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405194099999997 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): 1 O 0.00000000000000 0.06827582872102 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56827582872102 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43172417127898 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.93172417127898 0.75000000000000 15.999 > 3 5 O 0.84836503255722 0.47089184638884 0.32679037854789 15.999 > 5 6 O 0.84836503255722 0.97089184638884 0.32679037854789 15.999 > 5 7 O 0.65163496744278 0.22089184638884 0.17320962145211 15.999 > 7 8 O 0.65163496744278 0.72089184638884 0.17320962145211 15.999 > 7 9 O 0.15163496744278 0.02910815361116 0.67320962145210 15.999 > 9 10 O 0.15163496744278 0.52910815361116 0.67320962145210 15.999 > 9 11 O 0.34836503255722 0.27910815361116 0.82679037854790 15.999 > 11 12 O 0.34836503255722 0.77910815361116 0.82679037854790 15.999 > 11 13 O 0.97539677011946 0.20584472948736 0.39892980272591 15.999 > 13 14 O 0.97539677011946 0.70584472948736 0.39892980272591 15.999 > 13 15 O 0.02460322988054 0.20584472948736 0.10107019727409 15.999 > 15 16 O 0.02460322988054 0.70584472948736 0.10107019727409 15.999 > 15 17 O 0.02460322988054 0.29415527051264 0.60107019727409 15.999 > 17 18 O 0.02460322988054 0.79415527051264 0.60107019727409 15.999 > 17 19 O 0.97539677011946 0.29415527051264 0.89892980272591 15.999 > 19 20 O 0.97539677011946 0.79415527051264 0.89892980272591 15.999 > 19 21 O 0.07039482766564 0.44088065229864 0.45267353275629 15.999 > 21 22 O 0.07039482766564 0.94088065229864 0.45267353275629 15.999 > 21 23 O 0.92960517233436 0.44088065229864 0.04732646724371 15.999 > 23 24 O 0.92960517233436 0.94088065229864 0.04732646724371 15.999 > 23 25 O 0.25121383550827 0.03418895351609 0.86903708156480 15.999 > 25 26 O 0.25121383550827 0.53418895351609 0.86903708156480 15.999 > 25 27 O 0.24878616449173 0.28418895351609 0.63096291843520 15.999 > 27 28 O 0.24878616449173 0.78418895351609 0.63096291843520 15.999 > 27 29 O 0.74878616449173 0.46581104648391 0.13096291843520 15.999 > 29 30 O 0.74878616449173 0.96581104648391 0.13096291843520 15.999 > 29 31 O 0.75121383550827 0.21581104648391 0.36903708156480 15.999 > 31 32 O 0.75121383550827 0.71581104648391 0.36903708156480 15.999 > 31 33 O 0.20766922063889 0.27052444559548 0.94322104832369 15.999 > 33 34 O 0.20766922063889 0.77052444559548 0.94322104832369 15.999 > 33 35 O 0.79233077936111 0.27052444559548 0.55677895167631 15.999 > 35 36 O 0.79233077936111 0.77052444559548 0.55677895167631 15.999 > 35 37 O 0.79233077936111 0.22947555440452 0.05677895167631 15.999 > 37 38 O 0.79233077936111 0.72947555440452 0.05677895167631 15.999 > 37 39 O 0.20766922063889 0.22947555440452 0.44322104832369 15.999 > 39 40 O 0.20766922063889 0.72947555440452 0.44322104832369 15.999 > 39 41 O 0.07039482766564 0.05911934770136 0.95267353275629 15.999 > 41 42 O 0.07039482766564 0.55911934770136 0.95267353275629 15.999 > 41 43 O 0.92960517233436 0.05911934770136 0.54732646724371 15.999 > 43 44 O 0.92960517233436 0.55911934770136 0.54732646724371 15.999 > 43 45 O 0.50000000000000 0.31827582872102 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81827582872102 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18172417127898 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.68172417127898 0.75000000000000 15.999 > 3 49 O 0.34836503255722 0.22089184638884 0.32679037854789 15.999 > 5 50 O 0.34836503255722 0.72089184638884 0.32679037854789 15.999 > 5 51 O 0.15163496744278 0.47089184638884 0.17320962145211 15.999 > 7 52 O 0.15163496744278 0.97089184638884 0.17320962145211 15.999 > 7 53 O 0.65163496744278 0.27910815361116 0.67320962145210 15.999 > 9 54 O 0.65163496744278 0.77910815361116 0.67320962145210 15.999 > 9 55 O 0.84836503255722 0.02910815361116 0.82679037854790 15.999 > 11 56 O 0.84836503255722 0.52910815361116 0.82679037854790 15.999 > 11 57 O 0.47539677011946 0.45584472948736 0.39892980272591 15.999 > 13 58 O 0.47539677011946 0.95584472948736 0.39892980272591 15.999 > 13 59 O 0.52460322988054 0.45584472948736 0.10107019727409 15.999 > 15 60 O 0.52460322988054 0.95584472948736 0.10107019727409 15.999 > 15 61 O 0.52460322988054 0.04415527051264 0.60107019727409 15.999 > 17 62 O 0.52460322988054 0.54415527051264 0.60107019727409 15.999 > 17 63 O 0.47539677011946 0.04415527051264 0.89892980272591 15.999 > 19 64 O 0.47539677011946 0.54415527051264 0.89892980272591 15.999 > 19 65 O 0.57039482766564 0.19088065229864 0.45267353275629 15.999 > 21 66 O 0.57039482766564 0.69088065229864 0.45267353275629 15.999 > 21 67 O 0.42960517233436 0.19088065229864 0.04732646724371 15.999 > 23 68 O 0.42960517233436 0.69088065229864 0.04732646724371 15.999 > 23 69 O 0.75121383550827 0.28418895351609 0.86903708156480 15.999 > 25 70 O 0.75121383550827 0.78418895351609 0.86903708156480 15.999 > 25 71 O 0.74878616449173 0.03418895351609 0.63096291843520 15.999 > 27 72 O 0.74878616449173 0.53418895351609 0.63096291843520 15.999 > 27 73 O 0.24878616449173 0.21581104648391 0.13096291843520 15.999 > 29 74 O 0.24878616449173 0.71581104648391 0.13096291843520 15.999 > 29 75 O 0.25121383550827 0.46581104648391 0.36903708156480 15.999 > 31 76 O 0.25121383550827 0.96581104648391 0.36903708156480 15.999 > 31 77 O 0.70766922063889 0.02052444559548 0.94322104832369 15.999 > 33 78 O 0.70766922063889 0.52052444559548 0.94322104832369 15.999 > 33 79 O 0.29233077936111 0.02052444559548 0.55677895167631 15.999 > 35 80 O 0.29233077936111 0.52052444559548 0.55677895167631 15.999 > 35 81 O 0.29233077936111 0.47947555440452 0.05677895167631 15.999 > 37 82 O 0.29233077936111 0.97947555440452 0.05677895167631 15.999 > 37 83 O 0.70766922063889 0.47947555440452 0.44322104832369 15.999 > 39 84 O 0.70766922063889 0.97947555440452 0.44322104832369 15.999 > 39 85 O 0.57039482766564 0.30911934770136 0.95267353275629 15.999 > 41 86 O 0.57039482766564 0.80911934770136 0.95267353275629 15.999 > 41 87 O 0.42960517233436 0.30911934770136 0.54732646724371 15.999 > 43 88 O 0.42960517233436 0.80911934770136 0.54732646724371 15.999 > 43 89 Te 0.62333077521538 0.38693039991485 0.20355431036118 127.600 > 89 90 Te 0.62333077521538 0.88693039991485 0.20355431036118 127.600 > 89 91 Te 0.87666922478462 0.13693039991485 0.29644568963882 127.600 > 91 92 Te 0.87666922478462 0.63693039991485 0.29644568963882 127.600 > 91 93 Te 0.37666922478462 0.11306960008515 0.79644568963882 127.600 > 93 94 Te 0.37666922478462 0.61306960008515 0.79644568963882 127.600 > 93 95 Te 0.12333077521538 0.36306960008515 0.70355431036118 127.600 > 95 96 Te 0.12333077521538 0.86306960008515 0.70355431036118 127.600 > 95 97 Te 0.12677133674797 0.35832354358510 0.36993716489255 127.600 > 97 98 Te 0.12677133674797 0.85832354358510 0.36993716489255 127.600 > 97 99 Te 0.87322866325203 0.35832354358510 0.13006283510746 127.600 > 99 100 Te 0.87322866325203 0.85832354358510 0.13006283510746 127.600 > 99 101 Te 0.87322866325203 0.14167645641490 0.63006283510745 127.600 > 101 102 Te 0.87322866325203 0.64167645641490 0.63006283510745 127.600 > 101 103 Te 0.12677133674797 0.14167645641490 0.86993716489255 127.600 > 103 104 Te 0.12677133674797 0.64167645641490 0.86993716489255 127.600 > 103 105 Te 0.12333077521538 0.13693039991485 0.20355431036118 127.600 > 89 106 Te 0.12333077521538 0.63693039991485 0.20355431036118 127.600 > 89 107 Te 0.37666922478462 0.38693039991485 0.29644568963882 127.600 > 91 108 Te 0.37666922478462 0.88693039991485 0.29644568963882 127.600 > 91 109 Te 0.87666922478462 0.36306960008515 0.79644568963882 127.600 > 93 110 Te 0.87666922478462 0.86306960008515 0.79644568963882 127.600 > 93 111 Te 0.62333077521538 0.11306960008515 0.70355431036118 127.600 > 95 112 Te 0.62333077521538 0.61306960008515 0.70355431036118 127.600 > 95 113 Te 0.62677133674797 0.10832354358510 0.36993716489255 127.600 > 97 114 Te 0.62677133674797 0.60832354358510 0.36993716489255 127.600 > 97 115 Te 0.37322866325203 0.10832354358510 0.13006283510746 127.600 > 99 116 Te 0.37322866325203 0.60832354358510 0.13006283510746 127.600 > 99 117 Te 0.37322866325203 0.39167645641490 0.63006283510745 127.600 > 101 118 Te 0.37322866325203 0.89167645641490 0.63006283510745 127.600 > 101 119 Te 0.62677133674797 0.39167645641490 0.86993716489255 127.600 > 103 120 Te 0.62677133674797 0.89167645641490 0.86993716489255 127.600 > 103 121 Nd 0.61822286731487 0.12224758107309 0.03749105888087 144.242 > 121 122 Nd 0.61822286731487 0.62224758107309 0.03749105888087 144.242 > 121 123 Nd 0.88177713268513 0.37224758107309 0.46250894111913 144.242 > 123 124 Nd 0.88177713268513 0.87224758107309 0.46250894111913 144.242 > 123 125 Nd 0.38177713268513 0.37775241892691 0.96250894111913 144.242 > 125 126 Nd 0.38177713268513 0.87775241892691 0.96250894111913 144.242 > 125 127 Nd 0.11822286731487 0.12775241892691 0.53749105888087 144.242 > 127 128 Nd 0.11822286731487 0.62775241892691 0.53749105888087 144.242 > 127 129 Nd 0.11822286731487 0.37224758107309 0.03749105888087 144.242 > 121 130 Nd 0.11822286731487 0.87224758107309 0.03749105888087 144.242 > 121 131 Nd 0.38177713268513 0.12224758107309 0.46250894111913 144.242 > 123 132 Nd 0.38177713268513 0.62224758107309 0.46250894111913 144.242 > 123 133 Nd 0.88177713268513 0.12775241892691 0.96250894111913 144.242 > 125 134 Nd 0.88177713268513 0.62775241892691 0.96250894111913 144.242 > 125 135 Nd 0.61822286731487 0.37775241892691 0.53749105888087 144.242 > 127 136 Nd 0.61822286731487 0.87775241892691 0.53749105888087 144.242 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.3556543 0.0000000 -0.5330595 0.0000000 4.8374762 0.0000000 -0.5330594 0.0000000 4.6051692 -------------------------- Born effective charges -------------------------- 1 O -4.4889005 0.0000000 0.9176885 0.0000000 -1.6427509 0.0000000 1.7328893 0.0000000 -1.6587270 2 O -4.4889005 0.0000000 0.9176885 0.0000000 -1.6427509 0.0000000 1.7328893 0.0000000 -1.6587270 3 O -1.6699800 -0.7498919 0.3987415 -0.3378076 -2.6883475 0.8635505 0.1213888 0.4965049 -1.9370756 4 O -1.6699800 0.7498919 0.3987415 0.3378076 -2.6883475 -0.8635505 0.1213888 -0.4965049 -1.9370756 5 O -1.6699800 -0.7498919 0.3987415 -0.3378076 -2.6883475 0.8635505 0.1213888 0.4965049 -1.9370756 6 O -1.6699800 0.7498919 0.3987415 0.3378076 -2.6883475 -0.8635505 0.1213888 -0.4965049 -1.9370756 7 O -2.2696863 -0.3585309 -0.3589159 -0.4199947 -1.9763098 -0.7688657 -0.4037478 -0.5367838 -2.6390020 8 O -2.2696863 0.3585309 -0.3589159 0.4199947 -1.9763098 0.7688657 -0.4037478 0.5367838 -2.6390020 9 O -2.2696863 -0.3585309 -0.3589159 -0.4199947 -1.9763098 -0.7688657 -0.4037478 -0.5367838 -2.6390020 10 O -2.2696863 0.3585309 -0.3589159 0.4199947 -1.9763098 0.7688657 -0.4037478 0.5367838 -2.6390020 11 O -2.4127793 0.3141210 1.0005300 0.4134536 -2.1240811 -1.0478928 0.5627675 -0.8881496 -2.1906423 12 O -2.4127793 -0.3141210 1.0005300 -0.4134536 -2.1240811 1.0478928 0.5627675 0.8881496 -2.1906423 13 O -3.7337348 0.7851248 0.3272365 1.0047751 -1.9830263 0.3094923 0.7064322 -0.0222639 -1.6170709 14 O -3.7337348 -0.7851248 0.3272365 -1.0047751 -1.9830263 -0.3094923 0.7064322 0.0222639 -1.6170709 15 O -3.7337348 0.7851248 0.3272365 1.0047751 -1.9830263 0.3094923 0.7064322 -0.0222639 -1.6170709 16 O -3.7337348 -0.7851248 0.3272365 -1.0047751 -1.9830263 -0.3094923 0.7064322 0.0222639 -1.6170709 17 O -2.1125482 -0.3572170 -0.0365433 -0.3945072 -2.3799284 -1.3110972 -0.1059871 -0.8979975 -2.0497924 18 O -2.1125482 0.3572170 -0.0365433 0.3945072 -2.3799284 1.3110972 -0.1059871 0.8979975 -2.0497924 19 O -2.1125482 -0.3572170 -0.0365433 -0.3945072 -2.3799284 -1.3110972 -0.1059871 -0.8979975 -2.0497924 20 O -2.1125482 0.3572170 -0.0365433 0.3945072 -2.3799284 1.3110972 -0.1059871 0.8979975 -2.0497924 21 O -2.4127793 -0.3141210 1.0005300 -0.4134536 -2.1240811 1.0478928 0.5627675 0.8881496 -2.1906423 22 O -2.4127793 0.3141210 1.0005300 0.4134536 -2.1240811 -1.0478928 0.5627675 -0.8881496 -2.1906423 23 Te 5.6069123 0.7208265 -0.9627913 0.0753361 3.4409139 -0.7200726 -1.0396105 -0.9675529 3.6215498 24 Te 5.6069123 -0.7208265 -0.9627913 -0.0753361 3.4409139 0.7200726 -1.0396105 0.9675529 3.6215498 25 Te 5.6069123 0.7208265 -0.9627913 0.0753361 3.4409139 -0.7200726 -1.0396105 -0.9675529 3.6215498 26 Te 5.6069123 -0.7208265 -0.9627913 -0.0753361 3.4409139 0.7200726 -1.0396105 0.9675529 3.6215498 27 Te 4.6856200 0.8507958 -0.3880013 0.4021876 3.9741444 -0.6362255 -0.4204722 -0.6576278 2.9666040 28 Te 4.6856200 -0.8507958 -0.3880013 -0.4021876 3.9741444 0.6362255 -0.4204722 0.6576278 2.9666040 29 Te 4.6856200 0.8507958 -0.3880013 0.4021876 3.9741444 -0.6362255 -0.4204722 -0.6576278 2.9666040 30 Te 4.6856200 -0.8507958 -0.3880013 -0.4021876 3.9741444 0.6362255 -0.4204722 0.6576278 2.9666040 31 Nd 4.1506465 0.0924356 -0.4391004 0.0295387 4.5580104 0.2272754 -0.2872156 -0.0793758 4.6747928 32 Nd 4.1506465 -0.0924356 -0.4391004 -0.0295387 4.5580104 -0.2272754 -0.2872156 0.0793758 4.6747928 33 Nd 4.1506465 0.0924356 -0.4391004 0.0295387 4.5580104 0.2272754 -0.2872156 -0.0793758 4.6747928 34 Nd 4.1506465 -0.0924356 -0.4391004 -0.0295387 4.5580104 -0.2272754 -0.2872156 0.0793758 4.6747928 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 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] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0028 0.0000 0.0096] [ 0.0028 0.0000 -0.0096] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) 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 20:43:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:43:26]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.266133960854112 -2.601298524999999 0.000000000000000 b 6.266133960854112 2.601298524999999 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): 1 O 0.86344834255795 0.13655165744205 0.25000000000000 15.999 2 O 0.13655165744205 0.86344834255795 0.75000000000000 15.999 3 O 0.90658133977954 0.79014872533490 0.32679037854789 15.999 4 O 0.20985127466511 0.09341866022045 0.17320962145211 15.999 5 O 0.09341866022046 0.20985127466510 0.67320962145210 15.999 6 O 0.79014872533490 0.90658133977954 0.82679037854790 15.999 7 O 0.56370731114474 0.38708622909417 0.39892980272591 15.999 8 O 0.61291377090583 0.43629268885526 0.10107019727409 15.999 9 O 0.43629268885526 0.61291377090583 0.60107019727409 15.999 10 O 0.38708622909417 0.56370731114474 0.89892980272591 15.999 11 O 0.18863352306836 0.95215613226292 0.45267353275629 15.999 12 O 0.04784386773708 0.81136647693164 0.04732646724371 15.999 13 O 0.18283592847608 0.31959174254045 0.86903708156480 15.999 14 O 0.68040825745954 0.81716407152392 0.63096291843520 15.999 15 O 0.81716407152392 0.68040825745954 0.13096291843520 15.999 16 O 0.31959174254046 0.18283592847608 0.36903708156480 15.999 17 O 0.66662032944793 0.74871811182986 0.94322104832369 15.999 18 O 0.25128188817014 0.33337967055207 0.55677895167631 15.999 19 O 0.33337967055207 0.25128188817014 0.05677895167631 15.999 20 O 0.74871811182986 0.66662032944793 0.44322104832369 15.999 21 O 0.95215613226292 0.18863352306836 0.95267353275629 15.999 22 O 0.81136647693164 0.04784386773707 0.54732646724371 15.999 23 Te 0.84946997538569 0.39719157504508 0.20355431036118 127.600 24 Te 0.60280842495492 0.15053002461431 0.29644568963882 127.600 25 Te 0.15053002461431 0.60280842495492 0.79644568963882 127.600 26 Te 0.39719157504508 0.84946997538569 0.70355431036118 127.600 27 Te 0.41012424957778 0.84341842391817 0.36993716489255 127.600 28 Te 0.15658157608183 0.58987575042222 0.13006283510746 127.600 29 Te 0.58987575042222 0.15658157608183 0.63006283510745 127.600 30 Te 0.84341842391817 0.41012424957778 0.86993716489255 127.600 31 Nd 0.37372770516870 0.86271802946104 0.03749105888087 144.242 32 Nd 0.13728197053896 0.62627229483130 0.46250894111913 144.242 33 Nd 0.62627229483130 0.13728197053896 0.96250894111913 144.242 34 Nd 0.86271802946104 0.37372770516870 0.53749105888087 144.242 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.532267921708224 0.000000000000000 0.000000000000000 b 0.000000000000000 10.405194099999997 0.000000000000000 c -4.463349645348207 0.000000000000000 15.600210947858585 Atomic positions (fractional): 1 O 0.00000000000000 0.06827582872102 0.25000000000000 15.999 > 1 2 O 0.00000000000000 0.56827582872102 0.25000000000000 15.999 > 1 3 O 0.00000000000000 0.43172417127898 0.75000000000000 15.999 > 3 4 O 0.00000000000000 0.93172417127898 0.75000000000000 15.999 > 3 5 O 0.84836503255722 0.47089184638884 0.32679037854789 15.999 > 5 6 O 0.84836503255722 0.97089184638884 0.32679037854789 15.999 > 5 7 O 0.65163496744278 0.22089184638884 0.17320962145211 15.999 > 7 8 O 0.65163496744278 0.72089184638884 0.17320962145211 15.999 > 7 9 O 0.15163496744278 0.02910815361116 0.67320962145210 15.999 > 9 10 O 0.15163496744278 0.52910815361116 0.67320962145210 15.999 > 9 11 O 0.34836503255722 0.27910815361116 0.82679037854790 15.999 > 11 12 O 0.34836503255722 0.77910815361116 0.82679037854790 15.999 > 11 13 O 0.97539677011946 0.20584472948736 0.39892980272591 15.999 > 13 14 O 0.97539677011946 0.70584472948736 0.39892980272591 15.999 > 13 15 O 0.02460322988054 0.20584472948736 0.10107019727409 15.999 > 15 16 O 0.02460322988054 0.70584472948736 0.10107019727409 15.999 > 15 17 O 0.02460322988054 0.29415527051264 0.60107019727409 15.999 > 17 18 O 0.02460322988054 0.79415527051264 0.60107019727409 15.999 > 17 19 O 0.97539677011946 0.29415527051264 0.89892980272591 15.999 > 19 20 O 0.97539677011946 0.79415527051264 0.89892980272591 15.999 > 19 21 O 0.07039482766564 0.44088065229864 0.45267353275629 15.999 > 21 22 O 0.07039482766564 0.94088065229864 0.45267353275629 15.999 > 21 23 O 0.92960517233436 0.44088065229864 0.04732646724371 15.999 > 23 24 O 0.92960517233436 0.94088065229864 0.04732646724371 15.999 > 23 25 O 0.25121383550827 0.03418895351609 0.86903708156480 15.999 > 25 26 O 0.25121383550827 0.53418895351609 0.86903708156480 15.999 > 25 27 O 0.24878616449173 0.28418895351609 0.63096291843520 15.999 > 27 28 O 0.24878616449173 0.78418895351609 0.63096291843520 15.999 > 27 29 O 0.74878616449173 0.46581104648391 0.13096291843520 15.999 > 29 30 O 0.74878616449173 0.96581104648391 0.13096291843520 15.999 > 29 31 O 0.75121383550827 0.21581104648391 0.36903708156480 15.999 > 31 32 O 0.75121383550827 0.71581104648391 0.36903708156480 15.999 > 31 33 O 0.20766922063889 0.27052444559548 0.94322104832369 15.999 > 33 34 O 0.20766922063889 0.77052444559548 0.94322104832369 15.999 > 33 35 O 0.79233077936111 0.27052444559548 0.55677895167631 15.999 > 35 36 O 0.79233077936111 0.77052444559548 0.55677895167631 15.999 > 35 37 O 0.79233077936111 0.22947555440452 0.05677895167631 15.999 > 37 38 O 0.79233077936111 0.72947555440452 0.05677895167631 15.999 > 37 39 O 0.20766922063889 0.22947555440452 0.44322104832369 15.999 > 39 40 O 0.20766922063889 0.72947555440452 0.44322104832369 15.999 > 39 41 O 0.07039482766564 0.05911934770136 0.95267353275629 15.999 > 41 42 O 0.07039482766564 0.55911934770136 0.95267353275629 15.999 > 41 43 O 0.92960517233436 0.05911934770136 0.54732646724371 15.999 > 43 44 O 0.92960517233436 0.55911934770136 0.54732646724371 15.999 > 43 45 O 0.50000000000000 0.31827582872102 0.25000000000000 15.999 > 1 46 O 0.50000000000000 0.81827582872102 0.25000000000000 15.999 > 1 47 O 0.50000000000000 0.18172417127898 0.75000000000000 15.999 > 3 48 O 0.50000000000000 0.68172417127898 0.75000000000000 15.999 > 3 49 O 0.34836503255722 0.22089184638884 0.32679037854789 15.999 > 5 50 O 0.34836503255722 0.72089184638884 0.32679037854789 15.999 > 5 51 O 0.15163496744278 0.47089184638884 0.17320962145211 15.999 > 7 52 O 0.15163496744278 0.97089184638884 0.17320962145211 15.999 > 7 53 O 0.65163496744278 0.27910815361116 0.67320962145210 15.999 > 9 54 O 0.65163496744278 0.77910815361116 0.67320962145210 15.999 > 9 55 O 0.84836503255722 0.02910815361116 0.82679037854790 15.999 > 11 56 O 0.84836503255722 0.52910815361116 0.82679037854790 15.999 > 11 57 O 0.47539677011946 0.45584472948736 0.39892980272591 15.999 > 13 58 O 0.47539677011946 0.95584472948736 0.39892980272591 15.999 > 13 59 O 0.52460322988054 0.45584472948736 0.10107019727409 15.999 > 15 60 O 0.52460322988054 0.95584472948736 0.10107019727409 15.999 > 15 61 O 0.52460322988054 0.04415527051264 0.60107019727409 15.999 > 17 62 O 0.52460322988054 0.54415527051264 0.60107019727409 15.999 > 17 63 O 0.47539677011946 0.04415527051264 0.89892980272591 15.999 > 19 64 O 0.47539677011946 0.54415527051264 0.89892980272591 15.999 > 19 65 O 0.57039482766564 0.19088065229864 0.45267353275629 15.999 > 21 66 O 0.57039482766564 0.69088065229864 0.45267353275629 15.999 > 21 67 O 0.42960517233436 0.19088065229864 0.04732646724371 15.999 > 23 68 O 0.42960517233436 0.69088065229864 0.04732646724371 15.999 > 23 69 O 0.75121383550827 0.28418895351609 0.86903708156480 15.999 > 25 70 O 0.75121383550827 0.78418895351609 0.86903708156480 15.999 > 25 71 O 0.74878616449173 0.03418895351609 0.63096291843520 15.999 > 27 72 O 0.74878616449173 0.53418895351609 0.63096291843520 15.999 > 27 73 O 0.24878616449173 0.21581104648391 0.13096291843520 15.999 > 29 74 O 0.24878616449173 0.71581104648391 0.13096291843520 15.999 > 29 75 O 0.25121383550827 0.46581104648391 0.36903708156480 15.999 > 31 76 O 0.25121383550827 0.96581104648391 0.36903708156480 15.999 > 31 77 O 0.70766922063889 0.02052444559548 0.94322104832369 15.999 > 33 78 O 0.70766922063889 0.52052444559548 0.94322104832369 15.999 > 33 79 O 0.29233077936111 0.02052444559548 0.55677895167631 15.999 > 35 80 O 0.29233077936111 0.52052444559548 0.55677895167631 15.999 > 35 81 O 0.29233077936111 0.47947555440452 0.05677895167631 15.999 > 37 82 O 0.29233077936111 0.97947555440452 0.05677895167631 15.999 > 37 83 O 0.70766922063889 0.47947555440452 0.44322104832369 15.999 > 39 84 O 0.70766922063889 0.97947555440452 0.44322104832369 15.999 > 39 85 O 0.57039482766564 0.30911934770136 0.95267353275629 15.999 > 41 86 O 0.57039482766564 0.80911934770136 0.95267353275629 15.999 > 41 87 O 0.42960517233436 0.30911934770136 0.54732646724371 15.999 > 43 88 O 0.42960517233436 0.80911934770136 0.54732646724371 15.999 > 43 89 Te 0.62333077521538 0.38693039991485 0.20355431036118 127.600 > 89 90 Te 0.62333077521538 0.88693039991485 0.20355431036118 127.600 > 89 91 Te 0.87666922478462 0.13693039991485 0.29644568963882 127.600 > 91 92 Te 0.87666922478462 0.63693039991485 0.29644568963882 127.600 > 91 93 Te 0.37666922478462 0.11306960008515 0.79644568963882 127.600 > 93 94 Te 0.37666922478462 0.61306960008515 0.79644568963882 127.600 > 93 95 Te 0.12333077521538 0.36306960008515 0.70355431036118 127.600 > 95 96 Te 0.12333077521538 0.86306960008515 0.70355431036118 127.600 > 95 97 Te 0.12677133674797 0.35832354358510 0.36993716489255 127.600 > 97 98 Te 0.12677133674797 0.85832354358510 0.36993716489255 127.600 > 97 99 Te 0.87322866325203 0.35832354358510 0.13006283510746 127.600 > 99 100 Te 0.87322866325203 0.85832354358510 0.13006283510746 127.600 > 99 101 Te 0.87322866325203 0.14167645641490 0.63006283510745 127.600 > 101 102 Te 0.87322866325203 0.64167645641490 0.63006283510745 127.600 > 101 103 Te 0.12677133674797 0.14167645641490 0.86993716489255 127.600 > 103 104 Te 0.12677133674797 0.64167645641490 0.86993716489255 127.600 > 103 105 Te 0.12333077521538 0.13693039991485 0.20355431036118 127.600 > 89 106 Te 0.12333077521538 0.63693039991485 0.20355431036118 127.600 > 89 107 Te 0.37666922478462 0.38693039991485 0.29644568963882 127.600 > 91 108 Te 0.37666922478462 0.88693039991485 0.29644568963882 127.600 > 91 109 Te 0.87666922478462 0.36306960008515 0.79644568963882 127.600 > 93 110 Te 0.87666922478462 0.86306960008515 0.79644568963882 127.600 > 93 111 Te 0.62333077521538 0.11306960008515 0.70355431036118 127.600 > 95 112 Te 0.62333077521538 0.61306960008515 0.70355431036118 127.600 > 95 113 Te 0.62677133674797 0.10832354358510 0.36993716489255 127.600 > 97 114 Te 0.62677133674797 0.60832354358510 0.36993716489255 127.600 > 97 115 Te 0.37322866325203 0.10832354358510 0.13006283510746 127.600 > 99 116 Te 0.37322866325203 0.60832354358510 0.13006283510746 127.600 > 99 117 Te 0.37322866325203 0.39167645641490 0.63006283510745 127.600 > 101 118 Te 0.37322866325203 0.89167645641490 0.63006283510745 127.600 > 101 119 Te 0.62677133674797 0.39167645641490 0.86993716489255 127.600 > 103 120 Te 0.62677133674797 0.89167645641490 0.86993716489255 127.600 > 103 121 Nd 0.61822286731487 0.12224758107309 0.03749105888087 144.242 > 121 122 Nd 0.61822286731487 0.62224758107309 0.03749105888087 144.242 > 121 123 Nd 0.88177713268513 0.37224758107309 0.46250894111913 144.242 > 123 124 Nd 0.88177713268513 0.87224758107309 0.46250894111913 144.242 > 123 125 Nd 0.38177713268513 0.37775241892691 0.96250894111913 144.242 > 125 126 Nd 0.38177713268513 0.87775241892691 0.96250894111913 144.242 > 125 127 Nd 0.11822286731487 0.12775241892691 0.53749105888087 144.242 > 127 128 Nd 0.11822286731487 0.62775241892691 0.53749105888087 144.242 > 127 129 Nd 0.11822286731487 0.37224758107309 0.03749105888087 144.242 > 121 130 Nd 0.11822286731487 0.87224758107309 0.03749105888087 144.242 > 121 131 Nd 0.38177713268513 0.12224758107309 0.46250894111913 144.242 > 123 132 Nd 0.38177713268513 0.62224758107309 0.46250894111913 144.242 > 123 133 Nd 0.88177713268513 0.12775241892691 0.96250894111913 144.242 > 125 134 Nd 0.88177713268513 0.62775241892691 0.96250894111913 144.242 > 125 135 Nd 0.61822286731487 0.37775241892691 0.53749105888087 144.242 > 127 136 Nd 0.61822286731487 0.87775241892691 0.53749105888087 144.242 > 127 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.3556543 0.0000000 -0.5330595 0.0000000 4.8374762 0.0000000 -0.5330594 0.0000000 4.6051692 -------------------------- Born effective charges -------------------------- 1 O -4.4889005 0.0000000 0.9176885 0.0000000 -1.6427509 0.0000000 1.7328893 0.0000000 -1.6587270 2 O -4.4889005 0.0000000 0.9176885 0.0000000 -1.6427509 0.0000000 1.7328893 0.0000000 -1.6587270 3 O -1.6699800 -0.7498919 0.3987415 -0.3378076 -2.6883475 0.8635505 0.1213888 0.4965049 -1.9370756 4 O -1.6699800 0.7498919 0.3987415 0.3378076 -2.6883475 -0.8635505 0.1213888 -0.4965049 -1.9370756 5 O -1.6699800 -0.7498919 0.3987415 -0.3378076 -2.6883475 0.8635505 0.1213888 0.4965049 -1.9370756 6 O -1.6699800 0.7498919 0.3987415 0.3378076 -2.6883475 -0.8635505 0.1213888 -0.4965049 -1.9370756 7 O -2.2696863 -0.3585309 -0.3589159 -0.4199947 -1.9763098 -0.7688657 -0.4037478 -0.5367838 -2.6390020 8 O -2.2696863 0.3585309 -0.3589159 0.4199947 -1.9763098 0.7688657 -0.4037478 0.5367838 -2.6390020 9 O -2.2696863 -0.3585309 -0.3589159 -0.4199947 -1.9763098 -0.7688657 -0.4037478 -0.5367838 -2.6390020 10 O -2.2696863 0.3585309 -0.3589159 0.4199947 -1.9763098 0.7688657 -0.4037478 0.5367838 -2.6390020 11 O -2.4127793 0.3141210 1.0005300 0.4134536 -2.1240811 -1.0478928 0.5627675 -0.8881496 -2.1906423 12 O -2.4127793 -0.3141210 1.0005300 -0.4134536 -2.1240811 1.0478928 0.5627675 0.8881496 -2.1906423 13 O -3.7337348 0.7851248 0.3272365 1.0047751 -1.9830263 0.3094923 0.7064322 -0.0222639 -1.6170709 14 O -3.7337348 -0.7851248 0.3272365 -1.0047751 -1.9830263 -0.3094923 0.7064322 0.0222639 -1.6170709 15 O -3.7337348 0.7851248 0.3272365 1.0047751 -1.9830263 0.3094923 0.7064322 -0.0222639 -1.6170709 16 O -3.7337348 -0.7851248 0.3272365 -1.0047751 -1.9830263 -0.3094923 0.7064322 0.0222639 -1.6170709 17 O -2.1125482 -0.3572170 -0.0365433 -0.3945072 -2.3799284 -1.3110972 -0.1059871 -0.8979975 -2.0497924 18 O -2.1125482 0.3572170 -0.0365433 0.3945072 -2.3799284 1.3110972 -0.1059871 0.8979975 -2.0497924 19 O -2.1125482 -0.3572170 -0.0365433 -0.3945072 -2.3799284 -1.3110972 -0.1059871 -0.8979975 -2.0497924 20 O -2.1125482 0.3572170 -0.0365433 0.3945072 -2.3799284 1.3110972 -0.1059871 0.8979975 -2.0497924 21 O -2.4127793 -0.3141210 1.0005300 -0.4134536 -2.1240811 1.0478928 0.5627675 0.8881496 -2.1906423 22 O -2.4127793 0.3141210 1.0005300 0.4134536 -2.1240811 -1.0478928 0.5627675 -0.8881496 -2.1906423 23 Te 5.6069123 0.7208265 -0.9627913 0.0753361 3.4409139 -0.7200726 -1.0396105 -0.9675529 3.6215498 24 Te 5.6069123 -0.7208265 -0.9627913 -0.0753361 3.4409139 0.7200726 -1.0396105 0.9675529 3.6215498 25 Te 5.6069123 0.7208265 -0.9627913 0.0753361 3.4409139 -0.7200726 -1.0396105 -0.9675529 3.6215498 26 Te 5.6069123 -0.7208265 -0.9627913 -0.0753361 3.4409139 0.7200726 -1.0396105 0.9675529 3.6215498 27 Te 4.6856200 0.8507958 -0.3880013 0.4021876 3.9741444 -0.6362255 -0.4204722 -0.6576278 2.9666040 28 Te 4.6856200 -0.8507958 -0.3880013 -0.4021876 3.9741444 0.6362255 -0.4204722 0.6576278 2.9666040 29 Te 4.6856200 0.8507958 -0.3880013 0.4021876 3.9741444 -0.6362255 -0.4204722 -0.6576278 2.9666040 30 Te 4.6856200 -0.8507958 -0.3880013 -0.4021876 3.9741444 0.6362255 -0.4204722 0.6576278 2.9666040 31 Nd 4.1506465 0.0924356 -0.4391004 0.0295387 4.5580104 0.2272754 -0.2872156 -0.0793758 4.6747928 32 Nd 4.1506465 -0.0924356 -0.4391004 -0.0295387 4.5580104 -0.2272754 -0.2872156 0.0793758 4.6747928 33 Nd 4.1506465 0.0924356 -0.4391004 0.0295387 4.5580104 0.2272754 -0.2872156 -0.0793758 4.6747928 34 Nd 4.1506465 -0.0924356 -0.4391004 -0.0295387 4.5580104 -0.2272754 -0.2872156 0.0793758 4.6747928 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 3 ] 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: 0.52, Number of G-points: 313, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/86) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 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 1.049 ( 0.000 0.000 0.000) 0.000 1.198 ( 0.000 0.000 0.000) 0.000 1.653 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.525 ( 0.000 0.000 0.000) 0.000 2.681 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.035 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.382 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.595 ( 0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 3.909 ( 0.000 0.000 0.000) 0.000 3.985 ( 0.000 0.000 0.000) 0.000 4.306 ( 0.000 0.000 0.000) 0.000 4.377 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.756 ( 0.000 0.000 0.000) 0.000 4.766 ( 0.000 0.000 0.000) 0.000 4.792 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.295 ( 0.000 0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.366 ( 0.000 0.000 0.000) 0.000 5.630 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.830 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 6.007 ( 0.000 0.000 0.000) 0.000 6.177 ( 0.000 0.000 0.000) 0.000 6.220 ( 0.000 0.000 0.000) 0.000 6.357 ( 0.000 0.000 0.000) 0.000 6.469 ( 0.000 0.000 0.000) 0.000 6.575 ( 0.000 0.000 0.000) 0.000 6.809 ( 0.000 0.000 0.000) 0.000 7.006 ( 0.000 0.000 0.000) 0.000 7.255 ( 0.000 0.000 0.000) 0.000 7.590 ( 0.000 0.000 0.000) 0.000 8.073 ( 0.000 0.000 0.000) 0.000 8.089 ( 0.000 0.000 0.000) 0.000 8.231 ( 0.000 0.000 0.000) 0.000 8.398 ( 0.000 0.000 0.000) 0.000 8.611 ( 0.000 0.000 0.000) 0.000 8.616 ( 0.000 0.000 0.000) 0.000 8.861 ( 0.000 0.000 0.000) 0.000 8.914 ( 0.000 0.000 0.000) 0.000 9.042 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 10.346 ( 0.000 0.000 0.000) 0.000 10.449 ( 0.000 0.000 0.000) 0.000 10.527 ( 0.000 0.000 0.000) 0.000 10.591 ( 0.000 0.000 0.000) 0.000 10.594 ( 0.000 0.000 0.000) 0.000 10.634 ( 0.000 0.000 0.000) 0.000 10.969 ( 0.000 0.000 0.000) 0.000 11.009 ( 0.000 0.000 0.000) 0.000 11.155 ( 0.000 0.000 0.000) 0.000 11.741 ( 0.000 0.000 0.000) 0.000 11.800 ( 0.000 0.000 0.000) 0.000 11.811 ( 0.000 0.000 0.000) 0.000 11.891 ( 0.000 0.000 0.000) 0.000 12.479 ( 0.000 0.000 0.000) 0.000 12.492 ( 0.000 0.000 0.000) 0.000 13.389 ( 0.000 0.000 0.000) 0.000 13.404 ( 0.000 0.000 0.000) 0.000 16.130 ( 0.000 0.000 0.000) 0.000 16.695 ( 0.000 0.000 0.000) 0.000 17.819 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 18.088 ( 0.000 0.000 0.000) 0.000 19.374 ( 0.000 0.000 0.000) 0.000 19.619 ( 0.000 0.000 0.000) 0.000 19.730 ( 0.000 0.000 0.000) 0.000 19.809 ( 0.000 0.000 0.000) 0.000 19.833 ( 0.000 0.000 0.000) 0.000 20.121 ( 0.000 0.000 0.000) 0.000 20.153 ( 0.000 0.000 0.000) 0.000 20.248 ( 0.000 0.000 0.000) 0.000 21.643 ( 0.000 0.000 0.000) 0.000 21.966 ( 0.000 0.000 0.000) 0.000 21.968 ( 0.000 0.000 0.000) 0.000 22.447 ( 0.000 0.000 0.000) 0.000 22.544 ( 0.000 0.000 0.000) 0.000 22.898 ( 0.000 0.000 0.000) 0.000 22.927 ( 0.000 0.000 0.000) 0.000 23.065 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/86) ======================= q-point: ( 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 12.140 -15.299 -3.086) 19.773 0.561 ( 2.761 -25.570 9.804) 27.524 0.805 ( 25.931 -28.808 -2.443) 38.836 1.188 ( -3.747 -3.277 2.980) 5.801 1.232 ( 7.313 -9.738 -10.464) 16.056 1.654 ( 4.677 5.628 -5.264) 9.014 1.713 ( 6.382 -2.213 13.795) 15.360 1.958 ( 10.573 6.053 -6.636) 13.873 2.218 ( 0.132 -9.022 -2.626) 9.397 2.431 ( 2.374 -9.530 0.326) 9.827 2.583 ( 2.405 -4.552 1.244) 5.297 2.690 ( 5.255 6.882 -0.791) 8.695 2.741 ( -2.083 -4.340 -0.685) 4.863 2.927 ( -0.161 2.705 -0.436) 2.745 3.120 ( -1.229 3.885 -1.665) 4.402 3.192 ( 11.670 1.764 -5.655) 13.088 3.359 ( -3.685 3.968 2.589) 6.003 3.368 ( -2.793 -0.343 1.445) 3.164 3.528 ( 2.498 -6.008 -2.096) 6.836 3.576 ( -1.245 -6.415 0.328) 6.543 3.730 ( -1.937 2.230 -1.598) 3.358 3.819 ( -2.858 0.394 0.976) 3.045 3.876 ( -2.744 0.597 -0.322) 2.826 3.928 ( -6.611 -3.469 -1.507) 7.617 3.992 ( 0.476 -1.033 3.052) 3.257 4.332 ( -2.053 2.563 6.518) 7.298 4.351 ( 8.466 7.371 -7.392) 13.440 4.495 ( -3.327 1.572 -0.712) 3.748 4.582 ( 1.636 8.743 -2.357) 9.202 4.684 ( -6.228 3.815 2.761) 7.808 4.745 ( 0.729 4.409 -0.962) 4.572 4.907 ( 6.782 1.461 -3.802) 7.911 4.954 ( 0.168 2.163 1.331) 2.545 5.063 ( -5.994 -1.813 -4.806) 7.894 5.163 ( 0.914 -4.139 -1.438) 4.476 5.316 ( -2.907 -1.761 -1.426) 3.686 5.351 ( -6.535 -1.509 4.466) 8.058 5.607 ( 4.416 5.059 -0.819) 6.765 5.646 ( -7.922 1.572 -2.268) 8.389 5.662 ( 4.493 2.229 -0.623) 5.055 5.795 ( -1.148 1.989 2.236) 3.206 5.919 ( -0.786 -5.478 0.067) 5.535 6.030 ( 3.643 0.083 1.019) 3.784 6.221 ( -1.048 1.513 1.319) 2.264 6.251 ( 4.534 0.453 0.154) 4.559 6.414 ( 3.063 -1.237 -0.838) 3.408 6.455 ( 6.333 -0.693 0.045) 6.371 6.801 ( -0.790 -0.405 6.014) 6.079 6.852 ( -3.444 -7.545 -1.970) 8.524 7.265 ( 19.271 10.037 -5.904) 22.515 7.291 ( 25.799 11.048 -8.542) 29.336 7.631 ( 1.486 0.870 -1.581) 2.338 8.019 ( -5.421 3.253 -0.072) 6.323 8.095 ( 0.345 2.832 -0.015) 2.853 8.158 ( 5.103 6.219 7.292) 10.858 8.505 ( -7.490 -1.034 4.341) 8.718 8.622 ( 3.250 1.528 2.327) 4.279 8.648 ( 5.397 -2.777 -3.154) 6.840 8.800 ( 2.233 2.685 -2.445) 4.263 8.995 ( 14.866 5.827 -10.459) 19.088 9.069 ( -5.036 -2.846 5.964) 8.309 9.243 ( 10.604 -0.660 -6.371) 12.388 9.835 ( 1.571 1.128 -1.339) 2.353 10.285 ( -10.311 8.378 5.144) 14.246 10.437 ( 2.989 4.196 -4.065) 6.562 10.496 ( -3.314 3.252 1.112) 4.774 10.608 ( -0.815 -3.739 2.399) 4.516 10.696 ( -2.463 -2.760 -7.511) 8.372 10.797 ( 0.087 -6.154 3.810) 7.238 10.998 ( 2.249 1.984 0.328) 3.017 11.187 ( 3.390 -0.607 -0.073) 3.445 11.247 ( -4.862 -4.141 -4.093) 7.586 11.715 ( -4.564 2.115 0.808) 5.095 11.775 ( -0.728 -0.911 -0.518) 1.276 11.885 ( 12.046 4.279 0.209) 12.785 12.012 ( 20.767 12.981 2.761) 24.646 12.469 ( -0.230 0.798 -0.250) 0.867 12.502 ( -0.487 -0.978 0.352) 1.148 13.362 ( 0.162 2.996 -0.323) 3.018 13.478 ( -3.991 2.665 -0.039) 4.799 16.188 ( 16.990 5.951 -13.794) 22.679 16.618 ( 1.055 7.923 4.896) 9.373 17.877 ( 1.192 -5.217 -0.663) 5.392 17.891 ( 0.301 -5.946 0.806) 6.008 18.069 ( -13.181 -4.579 -0.033) 13.954 18.732 ( 14.350 1.388 -6.613) 15.861 19.381 ( -2.191 2.115 4.752) 5.644 19.549 ( 7.863 12.489 -0.904) 14.785 19.745 ( -1.268 7.549 -1.036) 7.724 19.914 ( -3.257 7.783 5.512) 10.078 20.028 ( -11.408 -12.166 2.571) 16.875 20.080 ( 3.512 6.311 -0.032) 7.223 20.240 ( 12.193 -4.965 -1.052) 13.207 20.853 ( 14.859 -3.741 -11.303) 19.041 21.697 ( 0.976 -3.826 5.060) 6.418 21.937 ( 0.847 2.324 -0.510) 2.525 22.375 ( -0.446 5.810 -0.466) 5.846 22.570 ( -5.931 0.001 8.622) 10.466 22.594 ( 2.564 -2.009 -7.363) 8.052 22.993 ( -1.619 -6.334 -0.622) 6.567 23.099 ( -1.876 -3.841 0.884) 4.365 23.619 ( -26.553 -9.134 -6.457) 28.813 ======================= Grid point 2 (3/86) ======================= q-point: ( 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 11.000 -16.825 -2.747) 20.288 0.982 ( 0.435 -6.548 11.050) 12.851 1.150 ( 7.176 -9.085 0.384) 11.584 1.414 ( 2.463 -7.856 -9.160) 12.316 1.593 ( 16.292 -22.089 -4.432) 27.803 1.704 ( 7.931 -7.836 -1.396) 11.237 1.920 ( 12.863 -7.829 11.633) 19.029 1.964 ( 9.790 -1.337 -4.712) 10.947 2.342 ( -1.202 -5.446 -4.818) 7.370 2.596 ( 2.897 -0.679 3.503) 4.596 2.687 ( -0.386 -2.255 5.051) 5.545 2.709 ( 6.623 -4.574 -2.744) 8.504 2.817 ( 3.234 -2.214 -3.560) 5.295 2.867 ( -1.457 -1.996 5.087) 5.655 3.118 ( 2.338 -3.583 -6.579) 7.848 3.215 ( 1.820 1.377 -1.277) 2.615 3.260 ( -2.533 2.037 1.086) 3.427 3.342 ( -3.990 1.330 3.048) 5.194 3.595 ( 0.758 1.530 -1.100) 2.031 3.633 ( -3.389 -0.667 2.086) 4.035 3.682 ( -2.898 -0.270 -1.735) 3.388 3.749 ( -0.024 3.394 -2.519) 4.227 3.823 ( -4.035 1.260 -1.557) 4.505 3.892 ( -7.321 1.421 1.916) 7.700 4.013 ( -2.960 2.941 6.468) 7.698 4.203 ( -2.118 5.810 -3.420) 7.067 4.293 ( 0.754 2.916 2.034) 3.634 4.408 ( -0.778 5.601 -1.373) 5.819 4.523 ( -1.901 -2.911 -3.029) 4.611 4.585 ( -0.481 1.547 0.180) 1.630 4.703 ( 0.223 -0.331 0.896) 0.981 4.869 ( 5.395 4.532 -4.098) 8.151 4.982 ( 3.377 -2.104 -3.692) 5.428 5.046 ( -5.353 -1.765 3.571) 6.672 5.167 ( -5.431 1.435 1.364) 5.780 5.283 ( -7.184 1.582 5.187) 9.001 5.384 ( -3.532 -4.894 -3.354) 6.905 5.493 ( 2.599 5.013 -2.537) 6.191 5.570 ( -5.458 1.304 -0.139) 5.613 5.670 ( -4.575 -0.551 2.977) 5.486 5.804 ( 6.092 -1.520 0.469) 6.296 5.999 ( -1.066 -2.849 -0.088) 3.043 6.053 ( 2.139 0.135 0.063) 2.144 6.154 ( -5.905 2.344 1.234) 6.472 6.270 ( 8.412 2.259 1.437) 8.827 6.501 ( 6.468 -2.695 -2.163) 7.333 6.534 ( 12.483 1.431 -0.521) 12.576 6.810 ( 1.838 0.668 4.185) 4.619 6.933 ( 5.606 0.196 -0.472) 5.629 7.102 ( 16.798 16.396 -6.876) 24.460 7.362 ( 4.899 -3.037 -0.873) 5.830 7.627 ( -1.746 -0.509 0.859) 2.011 7.899 ( -4.015 4.109 0.609) 5.778 8.002 ( 4.905 6.621 -5.451) 9.880 8.193 ( 3.321 -2.526 1.642) 4.484 8.331 ( -3.920 10.194 2.050) 11.112 8.600 ( -7.889 0.452 8.026) 11.264 8.743 ( 0.859 1.370 -3.355) 3.724 8.808 ( 5.953 -3.121 -3.273) 7.476 8.946 ( 0.071 3.983 -0.665) 4.039 9.125 ( -6.344 -5.558 4.594) 9.604 9.346 ( 10.721 -2.730 -6.892) 13.034 9.846 ( 2.328 -0.806 -0.998) 2.658 10.052 ( -4.952 8.683 3.853) 10.713 10.376 ( -2.950 1.137 -0.254) 3.172 10.443 ( 0.873 1.980 0.789) 2.304 10.660 ( -2.885 -2.048 -2.303) 4.222 10.687 ( -6.327 -3.348 -1.617) 7.339 10.897 ( 5.281 -0.587 0.365) 5.326 10.982 ( 2.926 1.787 1.698) 3.826 11.194 ( -0.406 0.915 -0.832) 1.302 11.278 ( 6.328 2.744 2.514) 7.341 11.633 ( -3.812 2.546 -0.707) 4.639 11.785 ( -2.447 -0.336 -0.606) 2.543 11.890 ( 7.121 2.508 0.024) 7.550 11.930 ( 14.524 9.637 0.403) 17.435 12.456 ( -0.618 -0.338 -0.504) 0.866 12.521 ( -1.062 -1.677 0.371) 2.019 13.273 ( -0.399 6.059 0.058) 6.072 13.369 ( -4.098 4.935 0.112) 6.415 16.177 ( 7.343 2.867 -5.215) 9.451 16.477 ( 0.482 7.670 4.079) 8.701 17.987 ( -6.678 -6.455 0.200) 9.290 18.039 ( -1.142 -8.494 0.581) 8.590 18.108 ( -0.007 -7.040 -0.372) 7.050 18.760 ( 13.330 6.179 -3.284) 15.055 19.266 ( -8.416 6.867 0.734) 10.886 19.397 ( 3.211 8.455 0.825) 9.082 19.558 ( 2.671 9.703 0.824) 10.098 19.708 ( -3.739 8.998 -0.717) 9.770 19.944 ( 3.015 8.773 -1.256) 9.361 20.135 ( 5.141 -0.121 1.876) 5.474 20.494 ( -4.512 -14.976 2.576) 15.851 21.078 ( 12.465 -9.395 -5.448) 16.533 21.813 ( 1.407 -5.497 3.624) 6.733 21.924 ( 1.687 -0.402 -1.183) 2.099 22.239 ( -1.147 7.176 -0.455) 7.281 22.490 ( -3.643 4.616 2.382) 6.345 22.671 ( 1.565 -4.656 -1.979) 5.296 23.092 ( -2.519 -5.063 -0.722) 5.701 23.168 ( -2.647 -4.461 1.640) 5.440 23.554 ( -14.161 -2.279 -2.499) 14.559 ======================= Grid point 3 (4/86) ======================= q-point: ( 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 7.851 -8.114 2.504) 11.565 1.124 ( 6.814 -9.959 -3.537) 12.575 1.406 ( 8.864 -4.446 -4.970) 11.093 1.529 ( -0.397 -11.388 2.931) 11.766 1.936 ( 7.398 -7.150 1.128) 10.351 1.973 ( 1.408 -10.451 2.836) 10.920 2.203 ( 11.594 -11.423 -4.649) 16.927 2.263 ( 14.997 -12.691 2.824) 19.848 2.382 ( -1.904 3.579 0.228) 4.060 2.529 ( 5.375 0.508 -2.964) 6.159 2.737 ( -1.216 -0.142 4.462) 4.627 2.830 ( -1.772 -2.966 2.287) 4.144 2.891 ( 6.653 -0.979 -2.846) 7.302 2.953 ( 4.945 -4.431 -2.277) 7.019 3.185 ( 0.050 -1.644 0.977) 1.913 3.214 ( -1.216 -0.290 -2.824) 3.089 3.248 ( -2.578 -2.891 -0.283) 3.884 3.285 ( -6.523 -0.129 4.281) 7.803 3.489 ( 3.226 6.182 -4.471) 8.284 3.612 ( -3.733 1.600 2.503) 4.771 3.631 ( -2.966 4.192 1.902) 5.477 3.712 ( -3.952 -0.704 -0.716) 4.078 3.759 ( -2.614 4.631 0.753) 5.371 3.827 ( -0.471 -1.809 -3.075) 3.599 3.902 ( -3.896 2.812 6.514) 8.094 4.100 ( -0.098 4.147 -1.704) 4.484 4.203 ( -4.795 1.449 -3.352) 6.027 4.373 ( -0.379 0.673 1.293) 1.506 4.527 ( -9.803 -3.201 -1.016) 10.362 4.618 ( 8.868 1.421 -0.486) 8.994 4.738 ( -1.267 -1.436 -1.857) 2.667 4.837 ( 1.473 -0.184 0.493) 1.564 5.027 ( -6.770 0.759 3.929) 7.864 5.033 ( 2.800 -0.827 -1.021) 3.093 5.117 ( 2.014 1.561 -5.085) 5.688 5.226 ( -7.107 -3.272 3.988) 8.782 5.368 ( -9.473 0.156 -0.567) 9.491 5.493 ( 1.437 -1.325 -2.584) 3.240 5.518 ( -0.781 0.545 2.619) 2.787 5.665 ( -0.728 -1.522 0.230) 1.703 5.887 ( 3.983 1.254 1.619) 4.479 5.994 ( 0.987 -0.141 -1.309) 1.645 6.075 ( 2.382 0.135 1.391) 2.762 6.101 ( -0.441 -0.680 0.402) 0.904 6.308 ( 9.037 1.303 0.111) 9.131 6.518 ( 5.259 5.457 1.305) 7.690 6.624 ( 9.475 -1.096 -2.154) 9.778 6.826 ( -0.139 0.521 4.133) 4.168 6.905 ( 12.541 10.620 -7.171) 17.930 6.968 ( 3.572 1.607 0.766) 3.991 7.432 ( 3.900 0.007 -0.271) 3.909 7.621 ( -4.017 -0.760 1.321) 4.296 7.812 ( -1.755 2.999 1.418) 3.753 7.922 ( 7.110 4.652 -7.274) 11.185 8.089 ( 1.451 11.436 1.162) 11.586 8.305 ( 0.893 -3.893 3.484) 5.300 8.531 ( -9.259 0.559 5.309) 10.688 8.679 ( -1.688 3.344 -2.169) 4.329 8.848 ( -5.723 3.200 1.288) 6.682 8.866 ( 1.323 0.455 -4.690) 4.894 9.171 ( -6.418 -3.728 3.468) 8.192 9.473 ( 8.043 -3.020 -5.179) 10.032 9.834 ( -1.721 2.229 2.618) 3.845 9.996 ( 2.311 -3.443 -0.378) 4.164 10.354 ( -2.108 -0.756 2.573) 3.411 10.424 ( 3.326 1.665 -1.098) 3.878 10.643 ( -4.089 -1.740 -5.831) 7.332 10.732 ( -5.128 -4.686 3.798) 7.917 10.907 ( 6.279 3.925 -0.737) 7.442 10.980 ( 3.099 1.652 1.414) 3.786 11.150 ( -0.794 2.853 -0.043) 2.962 11.221 ( 5.204 8.139 0.672) 9.684 11.556 ( -2.289 2.842 0.119) 3.651 11.732 ( -1.111 3.632 -0.284) 3.809 11.891 ( 6.134 2.274 0.292) 6.548 11.923 ( 6.680 0.939 -0.313) 6.753 12.483 ( 0.116 -2.844 -0.327) 2.865 12.558 ( -0.604 -2.960 0.061) 3.022 13.125 ( -2.020 8.170 0.533) 8.433 13.239 ( -3.315 5.116 -0.224) 6.100 16.173 ( 4.191 1.497 -2.395) 5.054 16.360 ( -0.441 5.219 2.257) 5.703 18.019 ( -7.947 -4.170 0.305) 8.980 18.199 ( 1.568 -7.323 -1.315) 7.604 18.290 ( 1.226 -9.433 1.168) 9.584 18.714 ( 9.959 6.986 -0.534) 12.176 19.022 ( -7.870 9.854 -0.402) 12.618 19.272 ( 0.697 5.670 0.415) 5.727 19.447 ( 3.032 6.493 1.337) 7.290 19.532 ( -4.818 4.704 -0.726) 6.773 19.798 ( 4.826 8.998 -1.511) 10.321 20.155 ( 6.186 2.723 0.577) 6.783 20.711 ( -6.438 -11.774 1.227) 13.475 21.342 ( 9.030 -9.010 -1.886) 12.895 21.921 ( 0.686 -3.774 1.928) 4.293 21.967 ( 2.023 -2.299 -0.679) 3.137 22.090 ( -1.132 6.975 -0.605) 7.092 22.359 ( -3.227 6.254 1.442) 7.184 22.785 ( 2.186 -5.819 -1.589) 6.416 23.132 ( -3.209 -1.444 1.105) 3.688 23.230 ( -1.497 -3.455 -0.151) 3.768 23.479 ( -9.220 -0.298 -0.799) 9.259 ======================= Grid point 4 (5/86) ======================= q-point: ( 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 4.153 0.806 -7.895) 8.957 1.375 ( 6.020 -12.888 -0.076) 14.225 1.622 ( 5.341 -10.747 1.503) 12.095 1.736 ( 4.058 -6.841 3.242) 8.590 2.045 ( -0.233 -0.545 3.636) 3.684 2.158 ( -2.529 -2.698 6.311) 7.315 2.216 ( 4.721 5.689 -3.934) 8.375 2.397 ( 1.809 -4.234 -1.759) 4.929 2.614 ( 4.299 -2.938 -5.746) 7.754 2.627 ( 12.366 -11.970 -0.381) 17.215 2.699 ( -0.735 2.923 2.446) 3.882 2.822 ( -7.963 -0.296 0.472) 7.982 2.957 ( 3.514 -4.362 -0.147) 5.603 3.050 ( 0.118 -0.364 -4.133) 4.150 3.132 ( -0.508 3.078 3.181) 4.456 3.188 ( -2.277 3.803 0.588) 4.471 3.241 ( 2.741 1.887 0.576) 3.377 3.324 ( -0.838 -2.103 1.519) 2.726 3.457 ( -4.481 4.676 4.441) 7.853 3.499 ( 3.211 -2.890 -4.432) 6.190 3.567 ( -2.173 1.295 -0.120) 2.532 3.653 ( 1.021 2.782 1.989) 3.569 3.728 ( -0.728 -0.523 -2.300) 2.469 3.890 ( -2.405 -0.148 5.104) 5.644 3.903 ( 1.569 -5.746 -5.031) 7.797 4.041 ( 1.057 1.748 1.087) 2.314 4.184 ( -4.306 -2.942 -4.940) 7.184 4.337 ( -0.324 2.359 0.215) 2.391 4.484 ( -11.589 -0.863 3.584) 12.161 4.631 ( 0.449 1.117 2.310) 2.605 4.700 ( 5.840 3.941 -2.747) 7.562 4.893 ( -0.917 -3.356 0.975) 3.613 4.969 ( -6.033 0.613 2.115) 6.422 5.057 ( -1.171 3.018 -4.262) 5.352 5.079 ( 8.074 0.159 -0.507) 8.092 5.267 ( -11.341 0.072 0.426) 11.349 5.333 ( -1.828 -7.761 0.723) 8.006 5.493 ( 0.186 -0.878 0.168) 0.913 5.554 ( 0.561 -0.613 0.085) 0.836 5.688 ( 0.399 0.178 -0.678) 0.806 5.800 ( -1.613 4.824 1.447) 5.288 6.078 ( 7.693 0.643 0.801) 7.762 6.099 ( 0.796 -3.984 0.197) 4.068 6.170 ( 4.887 -4.300 -0.963) 6.580 6.351 ( 6.719 2.161 -2.370) 7.446 6.418 ( 0.938 6.017 3.784) 7.169 6.664 ( 3.785 3.843 -2.851) 6.101 6.757 ( 1.878 3.207 0.777) 3.797 6.885 ( 1.285 -1.139 -0.806) 1.897 6.995 ( 4.905 0.147 0.495) 4.932 7.424 ( 1.195 2.085 -0.634) 2.485 7.581 ( -6.331 1.026 0.699) 6.452 7.770 ( 2.027 1.533 2.849) 3.818 7.879 ( 2.254 3.835 -4.019) 5.995 7.979 ( 10.227 2.604 -4.362) 11.419 8.313 ( -7.690 3.823 12.129) 14.861 8.496 ( -1.653 -2.603 -5.736) 6.512 8.604 ( -2.180 1.807 -0.482) 2.872 8.759 ( -4.875 1.617 3.094) 5.996 8.819 ( -3.147 1.540 -4.055) 5.359 9.193 ( -2.593 -1.714 1.272) 3.358 9.535 ( 2.985 0.216 -1.033) 3.166 9.826 ( 0.317 -1.272 -0.074) 1.313 10.103 ( 1.460 -4.410 -0.031) 4.646 10.380 ( -0.703 -2.226 3.165) 3.933 10.430 ( 4.877 0.949 -2.494) 5.559 10.645 ( -3.626 -2.709 -2.460) 5.151 10.799 ( -6.261 -5.857 3.331) 9.198 10.849 ( 4.510 5.835 -1.122) 7.460 10.967 ( 1.294 1.647 0.741) 2.222 11.066 ( 1.519 7.705 0.366) 7.862 11.107 ( 3.587 4.305 -1.292) 5.751 11.494 ( -1.230 1.987 0.564) 2.404 11.654 ( -0.066 3.329 -0.044) 3.330 11.912 ( 3.146 0.081 0.155) 3.151 11.956 ( 2.272 -0.637 -0.371) 2.388 12.556 ( 0.969 -3.733 0.013) 3.856 12.631 ( 1.012 -4.737 -0.329) 4.855 12.943 ( -3.322 8.294 0.564) 8.953 13.127 ( -1.907 4.049 -0.203) 4.480 16.176 ( 2.414 0.511 -1.193) 2.741 16.280 ( -0.983 2.849 1.168) 3.232 18.035 ( -3.622 -2.238 0.130) 4.260 18.308 ( -0.247 -3.430 -1.866) 3.913 18.469 ( -1.173 -8.473 2.196) 8.831 18.666 ( 7.907 5.675 1.315) 9.821 18.816 ( -4.831 5.113 -2.911) 7.612 19.206 ( 0.480 1.834 3.568) 4.040 19.332 ( 0.719 6.006 -2.712) 6.629 19.453 ( -2.557 1.526 0.927) 3.119 19.685 ( 3.639 5.510 -1.077) 6.691 20.142 ( 3.281 2.280 0.100) 3.997 20.854 ( -3.363 -6.899 0.447) 7.688 21.538 ( 4.179 -5.853 -0.484) 7.207 21.946 ( -0.557 3.847 -0.226) 3.894 21.984 ( 0.120 0.267 2.164) 2.184 22.032 ( 1.177 -2.635 -2.888) 4.083 22.225 ( -1.999 5.240 1.742) 5.873 22.912 ( 2.614 -5.483 -1.547) 6.268 23.107 ( -3.130 1.483 1.701) 3.859 23.273 ( -0.272 -1.804 -0.749) 1.972 23.422 ( -5.059 0.093 0.013) 5.060 ======================= Grid point 5 (6/86) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 0.000 -0.000 0.000) 0.000 1.552 ( 0.000 -0.000 0.000) 0.000 1.783 ( 0.000 0.000 0.000) 0.000 1.864 ( 0.000 -0.000 -0.000) 0.000 2.020 ( -0.000 -0.000 0.000) 0.000 2.043 ( 0.000 -0.000 -0.000) 0.000 2.259 ( 0.000 -0.000 0.000) 0.000 2.437 ( 0.000 -0.000 0.000) 0.000 2.653 ( -0.000 -0.000 0.000) 0.000 2.665 ( 0.000 -0.000 -0.000) 0.000 2.820 ( -0.000 -0.000 0.000) 0.000 2.836 ( 0.000 0.000 -0.000) 0.000 3.004 ( 0.000 -0.000 -0.000) 0.000 3.044 ( 0.000 0.000 0.000) 0.000 3.053 ( -0.000 0.000 -0.000) 0.000 3.160 ( 0.000 -0.000 0.000) 0.000 3.179 ( 0.000 -0.000 -0.000) 0.000 3.324 ( 0.000 -0.000 -0.000) 0.000 3.423 ( 0.000 -0.000 0.000) 0.000 3.523 ( 0.000 -0.000 0.000) 0.000 3.599 ( 0.000 0.000 0.000) 0.000 3.675 ( 0.000 -0.000 0.000) 0.000 3.692 ( -0.000 0.000 -0.000) 0.000 3.867 ( 0.000 -0.000 -0.000) 0.000 4.005 ( -0.000 -0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 -0.000 -0.000) 0.000 4.306 ( -0.000 0.000 0.000) 0.000 4.438 ( 0.000 -0.000 -0.000) 0.000 4.611 ( 0.000 -0.000 -0.000) 0.000 4.700 ( -0.000 -0.000 0.000) 0.000 4.918 ( 0.000 -0.000 0.000) 0.000 4.965 ( 0.000 -0.000 0.000) 0.000 4.978 ( 0.000 0.000 -0.000) 0.000 5.156 ( -0.000 0.000 0.000) 0.000 5.170 ( 0.000 -0.000 -0.000) 0.000 5.462 ( 0.000 -0.000 0.000) 0.000 5.491 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 -0.000 -0.000) 0.000 5.667 ( 0.000 -0.000 0.000) 0.000 5.751 ( 0.000 -0.000 0.000) 0.000 6.089 ( 0.000 -0.000 -0.000) 0.000 6.213 ( 0.000 0.000 -0.000) 0.000 6.232 ( 0.000 -0.000 0.000) 0.000 6.295 ( -0.000 -0.000 0.000) 0.000 6.398 ( 0.000 -0.000 0.000) 0.000 6.599 ( 0.000 -0.000 -0.000) 0.000 6.747 ( 0.000 -0.000 0.000) 0.000 6.909 ( 0.000 -0.000 0.000) 0.000 7.017 ( 0.000 -0.000 0.000) 0.000 7.403 ( 0.000 -0.000 0.000) 0.000 7.530 ( -0.000 -0.000 0.000) 0.000 7.780 ( 0.000 -0.000 -0.000) 0.000 7.838 ( 0.000 -0.000 0.000) 0.000 8.031 ( 0.000 -0.000 -0.000) 0.000 8.208 ( 0.000 -0.000 0.000) 0.000 8.523 ( -0.000 -0.000 0.000) 0.000 8.576 ( 0.000 -0.000 -0.000) 0.000 8.729 ( 0.000 -0.000 -0.000) 0.000 8.779 ( 0.000 -0.000 0.000) 0.000 9.200 ( 0.000 -0.000 0.000) 0.000 9.538 ( 0.000 -0.000 0.000) 0.000 9.846 ( 0.000 -0.000 -0.000) 0.000 10.153 ( 0.000 -0.000 0.000) 0.000 10.419 ( -0.000 -0.000 0.000) 0.000 10.435 ( 0.000 0.000 -0.000) 0.000 10.668 ( 0.000 0.000 0.000) 0.000 10.770 ( 0.000 -0.000 0.000) 0.000 10.886 ( -0.000 -0.000 0.000) 0.000 10.947 ( 0.000 -0.000 0.000) 0.000 10.957 ( 0.000 0.000 -0.000) 0.000 11.085 ( 0.000 -0.000 0.000) 0.000 11.469 ( 0.000 -0.000 -0.000) 0.000 11.620 ( 0.000 -0.000 0.000) 0.000 11.925 ( 0.000 -0.000 0.000) 0.000 11.973 ( 0.000 -0.000 0.000) 0.000 12.604 ( 0.000 -0.000 0.000) 0.000 12.739 ( 0.000 -0.000 -0.000) 0.000 12.790 ( 0.000 -0.000 -0.000) 0.000 13.074 ( 0.000 -0.000 0.000) 0.000 16.182 ( 0.000 -0.000 0.000) 0.000 16.247 ( 0.000 -0.000 0.000) 0.000 18.044 ( 0.000 -0.000 0.000) 0.000 18.331 ( 0.000 -0.000 0.000) 0.000 18.597 ( 0.000 0.000 -0.000) 0.000 18.602 ( -0.000 -0.000 0.000) 0.000 18.748 ( 0.000 -0.000 0.000) 0.000 19.227 ( 0.000 -0.000 0.000) 0.000 19.240 ( 0.000 -0.000 -0.000) 0.000 19.427 ( 0.000 -0.000 0.000) 0.000 19.646 ( 0.000 -0.000 -0.000) 0.000 20.132 ( -0.000 -0.000 0.000) 0.000 20.911 ( 0.000 -0.000 -0.000) 0.000 21.616 ( 0.000 -0.000 0.000) 0.000 21.893 ( 0.000 0.000 0.000) 0.000 21.986 ( 0.000 -0.000 0.000) 0.000 22.070 ( 0.000 -0.000 0.000) 0.000 22.159 ( -0.000 0.000 0.000) 0.000 23.002 ( 0.000 -0.000 -0.000) 0.000 23.055 ( 0.000 -0.000 0.000) 0.000 23.289 ( 0.000 -0.000 -0.000) 0.000 23.400 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 12 (7/86) ======================= q-point: ( 0.10 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.324 ( 20.705 -0.000 0.544) 20.713 0.437 ( 25.989 -0.000 3.596) 26.237 0.802 ( 47.979 -0.000 3.770) 48.127 1.128 ( 8.568 -0.000 -1.392) 8.680 1.177 ( 3.809 -0.000 -12.576) 13.140 1.761 ( 4.987 -0.000 11.644) 12.667 1.821 ( 11.770 -0.000 4.038) 12.444 2.115 ( 10.286 -0.000 -0.514) 10.299 2.172 ( 3.929 -0.000 -10.871) 11.559 2.347 ( 5.542 -0.000 -1.509) 5.744 2.580 ( 5.195 -0.000 3.052) 6.025 2.680 ( -0.432 0.000 -2.902) 2.934 2.809 ( -0.043 0.000 0.298) 0.302 2.915 ( -3.947 0.000 -1.779) 4.329 3.184 ( -4.964 0.000 -2.610) 5.609 3.251 ( -9.902 0.000 3.086) 10.372 3.364 ( -0.564 0.000 -3.961) 4.001 3.415 ( 1.803 -0.000 -1.440) 2.307 3.429 ( 1.174 -0.000 0.320) 1.217 3.577 ( 7.424 -0.000 -5.306) 9.125 3.624 ( 3.499 -0.000 -2.414) 4.251 3.726 ( -4.519 0.000 1.668) 4.817 3.863 ( -3.829 0.000 1.617) 4.157 3.935 ( 3.156 -0.000 -1.923) 3.696 3.987 ( 0.151 -0.000 0.894) 0.907 4.345 ( -5.340 0.000 2.744) 6.004 4.464 ( -1.835 0.000 -1.919) 2.655 4.475 ( -6.467 0.000 0.158) 6.469 4.700 ( -4.377 0.000 0.286) 4.386 4.714 ( -7.875 0.000 2.682) 8.319 4.813 ( 7.679 -0.000 -2.006) 7.937 4.888 ( 0.035 -0.000 3.528) 3.528 4.962 ( -3.509 0.000 -12.611) 13.090 5.056 ( 5.183 -0.000 -4.211) 6.678 5.122 ( 3.145 -0.000 -7.588) 8.214 5.237 ( -10.901 0.000 6.980) 12.944 5.260 ( -7.575 0.000 0.905) 7.629 5.570 ( -8.402 0.000 -2.824) 8.864 5.573 ( -7.855 0.000 1.900) 8.081 5.765 ( -4.873 0.000 1.826) 5.204 5.812 ( 5.617 -0.000 -16.481) 17.412 5.902 ( -7.894 0.000 6.135) 9.998 6.071 ( -0.993 0.000 7.425) 7.491 6.203 ( 1.464 -0.000 -1.677) 2.227 6.370 ( 13.370 -0.000 1.056) 13.412 6.390 ( 3.909 -0.000 -1.476) 4.178 6.589 ( 12.579 -0.000 -0.493) 12.588 6.663 ( 7.750 -0.000 -0.693) 7.781 6.850 ( 8.155 -0.000 0.293) 8.160 7.262 ( 1.501 -0.000 -1.849) 2.382 7.593 ( -0.297 0.000 3.251) 3.264 7.864 ( 8.062 -0.000 -30.901) 31.935 7.998 ( -6.120 0.000 -3.546) 7.073 8.206 ( -15.546 0.000 37.234) 40.349 8.303 ( 7.408 -0.000 -2.869) 7.944 8.360 ( -6.669 0.000 5.670) 8.754 8.685 ( 8.057 -0.000 -10.057) 12.887 8.703 ( -1.165 0.000 12.504) 12.558 8.753 ( -9.864 0.000 -1.231) 9.941 9.065 ( -0.098 0.000 8.093) 8.093 9.294 ( 11.794 -0.000 -7.642) 14.054 9.746 ( -1.188 0.000 -15.933) 15.978 9.895 ( 10.904 -0.000 -37.140) 38.708 10.210 ( -11.218 0.000 5.021) 12.290 10.454 ( -11.929 0.000 1.778) 12.061 10.504 ( -3.180 0.000 -10.329) 10.807 10.547 ( 0.337 -0.000 0.191) 0.387 10.563 ( 4.164 -0.000 0.814) 4.243 10.764 ( 8.143 -0.000 -9.149) 12.248 11.014 ( 3.376 -0.000 5.322) 6.303 11.053 ( 5.512 -0.000 -0.412) 5.528 11.285 ( 10.782 -0.000 4.053) 11.518 11.715 ( -3.167 0.000 0.580) 3.220 11.716 ( -6.846 0.000 -0.835) 6.897 12.036 ( 15.879 -0.000 -3.393) 16.238 12.455 ( -3.392 0.000 0.252) 3.401 12.478 ( 0.366 -0.000 -1.028) 1.091 12.748 ( 8.118 -0.000 -2.784) 8.582 13.377 ( -3.210 0.000 0.241) 3.219 13.403 ( -1.361 0.000 -2.439) 2.793 16.562 ( 10.391 -0.000 -59.466) 60.367 16.697 ( -4.667 0.000 12.066) 12.937 17.807 ( 0.212 -0.000 0.327) 0.389 17.850 ( 4.193 -0.000 -1.546) 4.469 18.181 ( 10.089 -0.000 -2.848) 10.483 18.568 ( 3.433 -0.000 -7.513) 8.260 19.430 ( -17.489 0.000 9.859) 20.077 19.440 ( -12.646 0.000 -1.231) 12.705 19.900 ( 11.495 -0.000 -1.194) 11.557 19.904 ( 1.733 -0.000 3.811) 4.187 20.046 ( -5.977 0.000 1.407) 6.141 20.242 ( 8.952 -0.000 7.747) 11.839 20.412 ( 16.555 -0.000 -0.041) 16.555 21.285 ( 29.008 -0.000 -89.462) 94.048 21.972 ( 0.125 -0.000 0.705) 0.716 21.977 ( 1.351 -0.000 0.039) 1.351 22.055 ( -16.974 0.000 55.255) 57.804 22.446 ( -0.076 0.000 -0.370) 0.377 22.544 ( 0.998 -0.000 -5.102) 5.199 22.853 ( -5.599 0.000 2.185) 6.010 22.912 ( -1.838 0.000 0.245) 1.854 23.035 ( -3.971 0.000 0.313) 3.984 ======================= Grid point 13 (8/86) ======================= q-point: ( 0.20 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 18.570 -10.461 -0.645) 21.324 0.779 ( 16.992 -13.223 7.532) 22.810 1.167 ( 3.883 0.918 -1.736) 4.352 1.325 ( 23.225 -9.683 -6.172) 25.909 1.381 ( 26.616 -15.743 -1.587) 30.964 1.766 ( 9.870 5.304 0.098) 11.205 1.949 ( 13.576 -2.802 12.295) 18.529 2.106 ( 9.643 6.326 -8.125) 14.107 2.242 ( 6.298 -4.444 -3.171) 8.334 2.499 ( 4.272 -9.335 1.746) 10.414 2.625 ( -3.471 -1.458 5.586) 6.736 2.711 ( 6.355 -2.628 -5.888) 9.053 2.782 ( 4.405 0.641 0.161) 4.454 2.905 ( -2.240 -0.173 0.116) 2.249 3.076 ( -2.641 1.669 -3.964) 5.047 3.251 ( -6.635 -3.569 4.365) 8.707 3.289 ( -4.140 4.720 1.123) 6.377 3.345 ( 1.483 3.833 -1.180) 4.276 3.530 ( -4.572 -5.347 3.221) 7.738 3.576 ( 4.018 -0.402 -4.978) 6.410 3.680 ( -2.454 1.446 -1.114) 3.059 3.769 ( -2.536 -4.212 -2.417) 5.478 3.824 ( -2.116 0.626 -0.112) 2.210 3.901 ( 0.987 5.885 -0.759) 6.016 4.016 ( 0.077 -1.923 4.120) 4.547 4.250 ( -8.575 3.430 3.428) 9.851 4.359 ( -5.048 4.002 -0.216) 6.446 4.465 ( -0.179 0.194 -4.780) 4.787 4.532 ( -4.428 5.882 0.361) 7.371 4.624 ( -4.563 6.385 0.501) 7.864 4.777 ( 1.752 4.096 0.125) 4.457 4.934 ( -0.366 -4.500 1.536) 4.769 4.954 ( -0.016 -0.494 -5.844) 5.865 5.039 ( 4.900 4.786 -4.945) 8.448 5.124 ( -7.572 0.327 3.042) 8.167 5.216 ( -7.380 -4.847 2.136) 9.084 5.242 ( -5.770 -3.499 -1.252) 6.863 5.486 ( -8.330 -0.397 -1.712) 8.514 5.554 ( -7.364 -1.692 2.643) 8.005 5.677 ( -3.284 4.981 -0.363) 5.977 5.808 ( 1.251 -1.304 -0.959) 2.046 5.913 ( -1.270 -3.959 1.320) 4.362 6.076 ( 0.430 0.114 0.858) 0.966 6.176 ( -1.552 2.130 -0.667) 2.718 6.390 ( 9.481 2.405 -0.262) 9.785 6.514 ( 9.720 -2.139 -0.878) 9.991 6.628 ( 9.219 0.930 -0.959) 9.315 6.825 ( 0.356 -4.715 7.276) 8.677 6.952 ( 14.941 -0.337 -5.271) 15.847 7.301 ( 2.983 -2.546 -1.766) 4.301 7.587 ( 2.737 3.444 3.684) 5.738 7.689 ( 7.284 14.802 -9.767) 19.171 7.915 ( -6.257 2.125 -3.498) 7.476 8.108 ( -1.097 1.942 5.602) 6.030 8.233 ( 0.910 5.045 2.517) 5.711 8.409 ( -5.986 0.785 1.127) 6.142 8.600 ( -6.873 2.779 10.014) 12.460 8.720 ( 2.154 -2.570 -9.527) 10.100 8.838 ( 5.394 -3.064 3.197) 6.979 9.032 ( -0.191 3.919 3.418) 5.204 9.245 ( 14.158 20.633 -10.169) 27.011 9.404 ( 11.283 2.096 -8.307) 14.167 9.873 ( 4.174 0.974 -3.840) 5.755 10.130 ( -11.534 3.862 7.011) 14.040 10.332 ( -10.864 -0.178 0.464) 10.875 10.489 ( -1.700 1.143 0.522) 2.114 10.560 ( -4.335 -2.284 -5.417) 7.304 10.648 ( 2.737 0.410 -2.222) 3.550 10.840 ( 4.236 -6.481 0.644) 7.769 11.075 ( 7.012 2.499 0.357) 7.452 11.163 ( 1.974 -5.279 -0.030) 5.636 11.368 ( 7.060 0.473 4.577) 8.427 11.632 ( -5.317 1.664 -0.955) 5.652 11.722 ( -4.286 -2.307 -0.416) 4.885 12.101 ( 17.180 6.838 -1.148) 18.526 12.347 ( 10.567 13.784 -1.527) 17.435 12.467 ( 0.326 1.202 -0.290) 1.279 12.528 ( 7.118 8.887 0.907) 11.423 13.352 ( -1.482 2.707 -0.416) 3.114 13.386 ( -6.657 0.667 -0.020) 6.691 16.333 ( 6.362 9.097 -15.619) 19.162 16.638 ( -4.858 6.596 7.651) 11.209 17.825 ( -1.319 -2.786 -0.064) 3.083 17.950 ( 6.505 -4.484 -1.285) 8.005 18.049 ( 7.015 2.241 0.972) 7.428 18.851 ( 4.652 -6.322 -5.202) 9.416 19.268 ( -10.434 2.265 1.364) 10.764 19.518 ( -16.491 -10.813 -0.443) 19.725 19.744 ( 4.187 14.326 -0.928) 14.954 19.868 ( -5.334 11.404 1.226) 12.650 19.972 ( 3.929 0.337 -1.113) 4.098 20.280 ( 14.064 8.055 11.112) 19.651 20.483 ( 20.206 3.859 -1.731) 20.644 21.067 ( 17.965 3.419 -19.570) 26.785 21.755 ( 1.404 -1.692 9.305) 9.561 21.959 ( 2.299 2.229 -1.134) 3.397 22.352 ( -2.340 5.284 -0.784) 5.832 22.488 ( -7.464 -3.542 6.565) 10.552 22.601 ( 1.824 -3.693 -4.467) 6.076 22.941 ( -4.144 -6.961 -1.544) 8.247 23.047 ( -5.207 -4.826 1.069) 7.179 23.162 ( -21.170 -22.162 -2.666) 30.764 ======================= Grid point 14 (9/86) ======================= q-point: ( 0.30 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 15.403 -12.095 -0.700) 19.597 1.119 ( 8.899 -1.582 9.046) 12.788 1.235 ( 4.431 -12.806 5.485) 14.619 1.510 ( 15.265 1.249 -15.407) 21.724 1.847 ( 13.783 -9.188 -1.756) 16.657 1.882 ( 11.478 -5.418 2.187) 12.879 2.122 ( 11.847 -5.133 -2.658) 13.182 2.196 ( 15.750 -8.188 3.218) 18.041 2.350 ( 5.904 -2.278 -3.974) 7.473 2.634 ( -2.108 -1.612 5.784) 6.364 2.666 ( -1.450 -1.291 2.925) 3.510 2.787 ( 0.385 -1.687 2.362) 2.927 2.864 ( 6.336 -5.698 -0.814) 8.560 2.946 ( 7.220 -4.017 -2.866) 8.745 3.101 ( -1.969 -4.705 -3.680) 6.290 3.160 ( -5.502 3.207 0.538) 6.391 3.262 ( -2.535 -0.028 3.793) 4.562 3.270 ( -1.481 3.494 -1.142) 3.962 3.567 ( -5.619 -1.275 1.799) 6.036 3.589 ( -1.999 -0.874 -3.019) 3.725 3.634 ( -1.270 1.123 0.049) 1.696 3.732 ( -0.811 7.578 -1.751) 7.820 3.766 ( -1.400 -0.727 -0.316) 1.609 3.810 ( -3.033 1.151 -2.008) 3.815 3.976 ( -5.942 5.163 7.314) 10.745 4.123 ( -5.080 3.878 -0.467) 6.408 4.313 ( -0.190 6.630 -0.360) 6.643 4.338 ( -5.705 -0.514 -0.167) 5.731 4.442 ( -5.602 1.176 -0.352) 5.735 4.615 ( 1.201 -5.506 -3.005) 6.386 4.715 ( 0.286 2.739 1.624) 3.197 4.902 ( 1.755 4.115 -6.052) 7.526 5.011 ( -9.837 2.103 5.438) 11.435 5.035 ( 3.535 -1.271 -3.273) 4.983 5.041 ( 1.274 -4.352 0.390) 4.551 5.204 ( -5.882 0.861 0.911) 6.014 5.280 ( -6.336 -3.569 -1.599) 7.446 5.443 ( -7.498 -1.982 -0.536) 7.774 5.528 ( 0.489 1.137 2.329) 2.637 5.608 ( -4.948 -1.653 0.535) 5.245 5.888 ( 2.568 -3.305 0.675) 4.240 5.962 ( -1.390 -2.190 -0.437) 2.631 6.079 ( 0.569 -0.192 1.372) 1.498 6.138 ( 2.216 1.118 -1.217) 2.765 6.423 ( 9.721 2.380 0.256) 10.011 6.601 ( 5.905 0.011 -0.805) 5.959 6.687 ( 6.796 -0.400 -0.807) 6.855 6.869 ( 1.325 1.803 6.801) 7.160 7.021 ( 7.524 1.567 -2.431) 8.061 7.275 ( 5.477 12.956 -1.639) 14.161 7.485 ( 9.871 3.917 -4.898) 11.695 7.591 ( -3.194 0.692 1.778) 3.720 7.830 ( -4.223 1.017 -0.866) 4.429 8.089 ( 8.523 4.775 -3.660) 10.432 8.212 ( -4.738 -0.426 2.525) 5.386 8.270 ( -1.731 3.736 -3.189) 5.208 8.526 ( -6.311 3.005 12.521) 14.339 8.729 ( -1.080 1.580 -4.164) 4.582 8.843 ( -0.345 4.273 -3.384) 5.461 8.997 ( 5.996 9.668 -1.858) 11.527 9.061 ( -2.616 -3.309 3.691) 5.605 9.489 ( 10.966 -1.717 -6.807) 13.021 9.885 ( 2.046 1.355 0.160) 2.459 9.975 ( -6.550 2.544 4.343) 8.260 10.299 ( -6.193 -2.535 2.838) 7.269 10.464 ( 0.004 0.720 -1.405) 1.579 10.553 ( -2.826 -1.840 -5.957) 6.845 10.660 ( -0.346 -0.862 2.321) 2.500 10.977 ( 4.721 -3.358 0.253) 5.799 11.069 ( 7.668 4.313 0.554) 8.815 11.215 ( 3.276 2.120 0.047) 3.903 11.375 ( 1.959 3.216 1.469) 4.042 11.579 ( -1.968 0.932 0.886) 2.351 11.722 ( -3.924 -1.077 -1.005) 4.192 12.045 ( 12.978 10.009 -0.357) 16.393 12.198 ( 16.090 12.968 -0.143) 20.666 12.441 ( -0.807 -0.170 -0.371) 0.904 12.500 ( -1.742 -1.806 0.366) 2.536 13.249 ( -3.065 6.377 0.111) 7.076 13.286 ( -5.635 3.393 0.046) 6.578 16.235 ( 1.721 3.086 -5.029) 6.146 16.472 ( -4.493 6.943 4.134) 9.245 17.880 ( -2.444 -4.267 -0.045) 4.918 18.099 ( 6.566 -5.644 -0.955) 8.710 18.161 ( 4.733 -6.063 0.907) 7.745 18.874 ( 3.161 3.739 -1.392) 5.090 19.123 ( -9.206 5.833 0.704) 10.921 19.479 ( 5.385 13.353 -0.180) 14.399 19.554 ( -5.123 -0.050 1.764) 5.418 19.611 ( -6.576 9.088 -1.220) 11.284 19.958 ( -0.975 1.943 -6.089) 6.466 20.227 ( 7.283 7.695 7.223) 12.823 20.608 ( 15.388 -1.853 0.303) 15.502 21.237 ( 10.068 -8.243 -5.124) 13.984 21.852 ( 1.077 -4.420 3.479) 5.727 21.960 ( 3.128 -0.412 -0.445) 3.186 22.209 ( -2.394 6.852 -0.612) 7.284 22.432 ( -4.720 3.885 2.643) 6.660 22.694 ( 2.504 -5.070 -2.503) 6.184 23.035 ( -4.079 -5.651 -0.130) 6.971 23.118 ( -4.174 -5.827 1.019) 7.240 23.294 ( -15.488 -9.355 -1.646) 18.169 ======================= Grid point 15 (10/86) ======================= q-point: ( 0.40 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 8.065 -4.739 0.494) 9.367 1.265 ( 12.806 -5.778 -3.566) 14.494 1.552 ( 8.469 -4.996 0.020) 9.833 1.583 ( 7.224 -9.513 1.118) 11.998 1.982 ( 0.556 -3.737 0.019) 3.778 2.094 ( 8.105 -6.126 2.238) 10.403 2.306 ( 3.755 -1.083 -2.162) 4.466 2.359 ( 0.712 -2.196 -0.124) 2.311 2.532 ( 12.682 -7.449 1.770) 14.814 2.602 ( 0.286 1.221 -1.385) 1.869 2.700 ( 0.200 -1.895 2.873) 3.447 2.806 ( -0.942 1.457 0.360) 1.772 2.983 ( 5.271 0.622 -0.997) 5.401 3.030 ( 2.302 -1.137 -1.936) 3.216 3.134 ( -5.227 -1.443 2.212) 5.857 3.172 ( -0.913 -5.864 -3.047) 6.672 3.229 ( -0.461 -1.729 0.366) 1.826 3.254 ( 1.977 -0.874 1.670) 2.731 3.520 ( 1.003 1.236 -3.620) 3.955 3.540 ( -3.779 3.612 1.797) 5.528 3.607 ( -1.315 4.326 1.988) 4.939 3.661 ( -1.545 -2.680 -1.232) 3.329 3.724 ( -2.718 2.508 0.290) 3.710 3.807 ( -1.365 -1.987 0.749) 2.524 3.892 ( 0.762 0.810 1.574) 1.927 4.042 ( -4.727 -0.774 -2.800) 5.548 4.144 ( -3.026 4.907 0.543) 5.790 4.345 ( -5.485 0.802 -1.863) 5.848 4.381 ( -5.399 -1.111 2.727) 6.150 4.643 ( -7.507 0.248 3.573) 8.317 4.752 ( 3.066 -1.825 -2.391) 4.295 4.852 ( 2.037 -0.069 -4.594) 5.026 4.920 ( -5.720 0.119 3.425) 6.668 5.072 ( -4.765 0.072 -2.164) 5.234 5.133 ( 6.467 -2.430 -3.874) 7.920 5.154 ( -2.350 -2.122 1.240) 3.400 5.276 ( -1.624 -0.023 1.993) 2.571 5.440 ( -4.599 -2.807 1.821) 5.687 5.537 ( 1.208 -0.536 -0.170) 1.332 5.634 ( -3.797 -3.448 0.019) 5.129 5.874 ( -1.888 3.286 0.990) 3.917 6.035 ( 0.592 -3.641 -0.112) 3.690 6.114 ( 1.877 -2.388 -0.564) 3.089 6.174 ( 8.125 -0.691 -0.696) 8.184 6.450 ( 8.418 2.464 1.132) 8.844 6.574 ( 1.514 6.591 0.673) 6.797 6.729 ( 3.380 0.770 -0.792) 3.556 6.844 ( 0.715 1.753 4.382) 4.774 7.006 ( 4.659 9.374 -3.188) 10.943 7.050 ( 3.411 5.945 -1.408) 6.997 7.475 ( 0.964 2.564 -1.096) 2.950 7.543 ( -5.276 0.957 0.292) 5.370 7.811 ( 0.727 0.301 0.074) 0.790 8.010 ( 1.951 7.756 -1.868) 8.213 8.119 ( 6.416 3.075 -2.687) 7.605 8.344 ( 2.504 -4.049 -1.704) 5.056 8.430 ( -6.322 4.524 11.330) 13.741 8.649 ( -0.553 4.262 -2.282) 4.866 8.746 ( -6.573 1.532 -0.355) 6.759 8.823 ( -5.297 4.783 -2.396) 7.529 9.156 ( 4.196 -2.857 0.652) 5.118 9.575 ( 6.841 0.152 -3.553) 7.710 9.837 ( 0.530 1.801 2.158) 2.860 10.007 ( -0.814 -5.243 0.148) 5.308 10.330 ( -2.917 -3.277 4.096) 6.002 10.453 ( 0.533 0.148 -2.506) 2.566 10.561 ( -1.753 -1.950 -3.908) 4.706 10.685 ( -3.063 -2.549 2.471) 4.689 11.026 ( 8.893 5.594 -2.257) 10.746 11.039 ( 3.988 3.108 2.147) 5.493 11.147 ( 0.248 4.523 0.134) 4.532 11.314 ( 5.539 6.324 0.397) 8.416 11.533 ( -1.210 2.960 0.937) 3.332 11.693 ( -2.685 1.408 -0.614) 3.093 11.980 ( 6.696 4.307 -0.191) 7.964 12.079 ( 9.926 9.661 -0.039) 13.851 12.484 ( 0.029 -4.118 0.076) 4.119 12.549 ( -0.267 -4.084 -0.250) 4.101 13.073 ( -4.488 8.129 -0.043) 9.286 13.178 ( -4.271 3.788 0.379) 5.721 16.198 ( -0.117 0.895 -2.200) 2.378 16.335 ( -4.207 4.378 2.004) 6.394 17.946 ( -1.092 -4.047 -0.062) 4.193 18.234 ( 2.128 -4.212 -1.025) 4.829 18.324 ( 3.442 -6.941 1.062) 7.821 18.816 ( 3.012 3.920 -0.609) 4.981 18.912 ( -5.236 8.816 0.470) 10.264 19.311 ( 2.640 7.631 0.134) 8.076 19.430 ( -2.852 4.611 1.133) 5.539 19.508 ( 0.179 3.786 0.665) 3.849 19.856 ( 1.671 7.068 -4.757) 8.682 20.145 ( -4.543 3.008 2.528) 6.007 20.782 ( 12.883 -3.941 0.667) 13.489 21.442 ( 4.475 -7.069 -1.378) 8.479 21.935 ( 0.570 -3.021 0.204) 3.081 22.002 ( 1.792 -1.092 0.427) 2.142 22.063 ( -1.805 6.036 0.066) 6.300 22.310 ( -3.376 5.207 1.297) 6.340 22.820 ( 3.256 -5.955 -1.960) 7.064 23.079 ( -3.799 -2.095 1.317) 4.534 23.198 ( -2.400 -4.814 -0.200) 5.383 23.320 ( -9.632 -4.911 -0.446) 10.821 ======================= Grid point 16 (11/86) ======================= q-point: ( 0.50 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 9.711 4.306 -8.499) 13.605 1.482 ( 7.849 -8.404 -1.851) 11.647 1.708 ( 4.319 -5.616 0.750) 7.125 1.824 ( 2.540 -7.393 8.477) 11.531 2.007 ( -5.149 0.700 3.032) 6.016 2.166 ( -0.135 5.629 5.528) 7.891 2.270 ( 2.061 0.501 -2.434) 3.228 2.423 ( 4.071 0.122 -4.683) 6.206 2.559 ( -7.723 -4.353 -0.307) 8.871 2.699 ( -0.561 2.655 -0.898) 2.858 2.732 ( -2.431 -3.504 0.877) 4.354 2.817 ( 10.744 -6.666 -1.870) 12.782 2.989 ( -1.703 3.689 -1.067) 4.201 3.030 ( 1.690 -1.410 1.202) 2.508 3.135 ( -2.692 2.068 -0.264) 3.405 3.168 ( 0.915 -0.771 -0.651) 1.362 3.285 ( 2.898 3.106 -2.073) 4.727 3.325 ( -1.275 2.511 2.466) 3.744 3.432 ( 1.555 -0.684 2.303) 2.862 3.497 ( -3.102 2.407 2.727) 4.780 3.584 ( 4.974 -2.413 -5.847) 8.047 3.647 ( -4.111 -1.070 1.749) 4.594 3.717 ( -0.627 1.530 0.903) 1.884 3.844 ( -4.729 -1.737 4.016) 6.443 3.908 ( 1.124 -4.731 -5.405) 7.270 4.070 ( 3.252 0.249 0.066) 3.262 4.117 ( -0.795 -5.091 -4.722) 6.989 4.267 ( -8.451 0.177 1.663) 8.615 4.390 ( -2.009 -2.333 2.829) 4.181 4.587 ( -5.675 0.013 4.009) 6.948 4.720 ( -5.823 1.778 0.669) 6.125 4.890 ( 2.329 -2.114 -5.564) 6.391 4.954 ( 3.984 -2.281 4.672) 6.550 5.008 ( -4.060 0.909 -4.001) 5.772 5.153 ( -1.557 2.384 -1.721) 3.327 5.230 ( 7.544 -2.125 -0.224) 7.840 5.320 ( 0.609 -5.097 1.484) 5.343 5.487 ( 0.509 -2.870 1.242) 3.169 5.548 ( -0.867 -0.001 0.086) 0.871 5.646 ( -4.689 -1.010 0.035) 4.796 5.804 ( 1.256 3.181 0.167) 3.424 6.079 ( -2.739 -2.065 1.644) 3.804 6.163 ( 1.046 -1.051 -1.551) 2.146 6.270 ( 7.799 -1.182 -2.151) 8.176 6.396 ( -2.519 9.861 1.622) 10.306 6.460 ( 4.581 3.044 2.294) 5.959 6.683 ( -0.150 5.827 -0.758) 5.878 6.785 ( 1.296 5.165 -1.169) 5.452 6.883 ( -0.699 0.544 -1.712) 1.928 7.034 ( -0.451 0.505 1.865) 1.984 7.415 ( -2.238 2.188 0.309) 3.145 7.499 ( -2.902 -0.796 -0.170) 3.014 7.793 ( -1.871 1.172 -0.459) 2.255 7.893 ( 1.333 5.202 -2.652) 5.989 8.132 ( 8.806 4.610 -2.201) 10.180 8.245 ( -3.892 5.782 5.558) 8.914 8.463 ( 0.003 -4.422 -0.666) 4.472 8.587 ( -0.861 0.999 2.931) 3.214 8.705 ( -2.631 -1.164 -0.810) 2.989 8.762 ( -1.174 -1.305 -2.095) 2.734 9.225 ( 5.741 -0.115 -0.124) 5.743 9.571 ( 1.854 2.420 -0.599) 3.107 9.849 ( 2.311 -0.455 0.088) 2.357 10.103 ( -1.348 -4.640 -0.442) 4.852 10.372 ( -2.229 -1.763 2.972) 4.112 10.453 ( 0.340 -0.071 -2.002) 2.032 10.592 ( -2.011 -4.001 -1.262) 4.653 10.718 ( -5.043 -3.456 1.562) 6.310 10.926 ( 3.177 7.239 -1.689) 8.084 10.994 ( 5.097 4.271 0.533) 6.671 11.098 ( 2.502 3.706 2.538) 5.141 11.214 ( 8.252 9.250 -1.766) 12.521 11.479 ( -1.024 1.349 0.237) 1.710 11.628 ( -2.862 2.093 -0.171) 3.550 11.969 ( 3.446 2.100 0.273) 4.045 12.003 ( 3.531 3.619 -0.332) 5.067 12.570 ( 0.624 -3.704 -0.060) 3.757 12.652 ( 1.640 -5.914 -0.174) 6.139 12.885 ( -3.607 7.535 -0.291) 8.359 13.084 ( -3.543 2.359 0.648) 4.306 16.180 ( -1.144 0.279 -1.554) 1.950 16.250 ( -3.366 1.485 1.453) 3.955 18.014 ( 0.918 -2.984 -0.076) 3.123 18.293 ( -1.820 -2.615 -0.532) 3.230 18.470 ( 1.069 -5.705 1.522) 6.000 18.733 ( -2.588 5.937 -2.265) 6.861 18.781 ( 4.414 3.107 0.194) 5.402 19.238 ( 2.197 2.062 3.513) 4.628 19.352 ( 2.282 5.454 -0.444) 5.929 19.441 ( 0.761 2.030 -0.923) 2.356 19.718 ( 0.758 6.870 -1.665) 7.109 20.060 ( -11.238 -0.734 0.361) 11.268 20.947 ( 12.529 -1.873 0.426) 12.676 21.566 ( -0.327 -4.239 -0.341) 4.265 21.932 ( -1.203 3.739 -0.394) 3.947 21.990 ( -0.419 0.010 1.518) 1.575 22.034 ( 0.630 -1.767 -2.273) 2.947 22.205 ( -1.486 3.796 1.835) 4.471 22.952 ( 3.285 -5.091 -1.927) 6.358 23.066 ( -2.703 0.873 1.382) 3.159 23.254 ( -2.185 -2.814 0.368) 3.582 23.348 ( -3.545 -3.878 -0.361) 5.266 ======================= Grid point 17 (12/86) ======================= q-point: (-0.40 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( 5.990 3.972 -1.934) 7.443 1.568 ( 1.395 6.555 1.192) 6.807 1.782 ( -1.083 0.861 -3.111) 3.405 1.823 ( -2.428 11.557 -0.342) 11.814 1.978 ( -5.178 -7.336 8.353) 12.264 2.065 ( 1.455 2.407 -1.120) 3.027 2.272 ( 1.057 1.824 0.543) 2.177 2.414 ( -2.300 -0.696 -2.735) 3.641 2.609 ( -3.502 -4.440 -0.914) 5.728 2.645 ( -2.235 2.437 0.787) 3.399 2.790 ( -0.952 5.677 0.050) 5.756 2.875 ( -0.826 3.336 -1.270) 3.664 2.991 ( -1.333 -5.593 2.519) 6.277 3.066 ( 3.411 -0.588 -0.860) 3.566 3.076 ( 1.452 3.232 -0.616) 3.596 3.148 ( -1.166 -1.352 0.761) 1.941 3.170 ( -0.269 1.396 -1.250) 1.893 3.330 ( 1.553 -0.827 -2.654) 3.184 3.436 ( -0.145 -0.008 -0.101) 0.177 3.526 ( 1.586 -3.402 -0.800) 3.838 3.592 ( -4.881 4.909 4.232) 8.114 3.634 ( 3.224 0.781 -2.221) 3.992 3.710 ( 0.004 -2.496 3.801) 4.547 3.849 ( -3.540 -2.969 -3.301) 5.678 3.999 ( -0.431 2.092 0.910) 2.322 4.025 ( 0.714 1.018 -0.556) 1.363 4.222 ( 3.187 -2.779 -0.213) 4.234 4.263 ( -3.105 -4.511 -0.039) 5.477 4.472 ( 2.625 -6.146 -0.956) 6.751 4.577 ( -6.882 -1.922 3.466) 7.942 4.643 ( -2.090 1.041 0.296) 2.354 4.950 ( -1.193 1.126 -1.376) 2.141 4.968 ( 5.423 -2.861 -6.442) 8.893 5.047 ( 0.802 -0.335 4.367) 4.452 5.074 ( 4.795 2.746 1.465) 5.716 5.330 ( 5.347 -2.861 -2.640) 6.614 5.426 ( -0.663 -3.380 1.457) 3.740 5.499 ( 1.124 3.666 1.117) 3.994 5.545 ( -0.213 -0.721 1.894) 2.038 5.618 ( -5.230 -1.619 -1.162) 5.596 5.779 ( 3.377 1.054 -1.271) 3.759 6.079 ( -1.685 0.898 1.377) 2.355 6.147 ( -6.031 1.687 1.617) 6.468 6.190 ( -3.805 5.738 -2.306) 7.261 6.313 ( 0.531 0.688 -0.599) 1.056 6.379 ( -2.596 5.462 0.679) 6.085 6.615 ( 1.321 0.258 1.849) 2.287 6.742 ( 0.422 0.993 -3.301) 3.473 6.853 ( -5.980 -0.669 0.083) 6.018 7.002 ( -1.612 2.868 1.677) 3.692 7.389 ( -0.477 -0.660 -0.003) 0.814 7.550 ( 1.311 -4.985 0.718) 5.204 7.749 ( -3.282 0.811 -2.610) 4.271 7.813 ( -2.645 0.860 -1.876) 3.355 7.990 ( -3.476 7.420 7.483) 11.097 8.286 ( 8.389 -3.194 -10.601) 13.891 8.516 ( -2.292 -1.401 7.661) 8.119 8.598 ( 1.464 -1.019 1.225) 2.163 8.749 ( 4.347 -2.768 -2.635) 5.788 8.810 ( 2.233 -2.534 0.621) 3.434 9.259 ( 6.724 1.495 -0.584) 6.913 9.534 ( -0.651 1.669 -0.642) 1.903 9.861 ( 1.403 1.135 1.433) 2.305 10.134 ( -2.271 0.021 -1.118) 2.531 10.367 ( -4.861 -0.482 1.432) 5.091 10.430 ( 0.320 2.608 -1.414) 2.983 10.670 ( -1.496 -4.345 0.104) 4.596 10.734 ( -2.429 -2.273 -0.014) 3.326 10.866 ( -4.305 -1.407 1.809) 4.877 10.982 ( 8.903 3.606 -2.148) 9.843 11.028 ( 3.362 4.804 1.328) 6.012 11.119 ( 3.988 4.447 -0.455) 5.991 11.472 ( 0.459 -0.861 -0.162) 0.989 11.595 ( -2.905 -1.285 -0.227) 3.185 11.937 ( 1.301 2.879 0.112) 3.161 11.975 ( 0.150 1.713 0.054) 1.720 12.603 ( -0.055 1.102 0.093) 1.107 12.710 ( -2.385 4.013 0.153) 4.671 12.819 ( 2.588 -5.811 -0.981) 6.436 13.063 ( -1.491 -2.549 0.794) 3.058 16.153 ( -2.939 0.343 -0.253) 2.970 16.237 ( -1.245 -1.513 0.194) 1.969 18.072 ( 3.575 -1.266 -0.174) 3.796 18.325 ( -2.067 -2.349 1.142) 3.331 18.545 ( -2.362 -1.689 -0.191) 2.910 18.612 ( -0.063 5.507 -2.566) 6.076 18.788 ( 3.310 -1.390 1.752) 3.995 19.219 ( -0.948 4.836 0.028) 4.928 19.290 ( 5.762 -0.497 0.703) 5.826 19.461 ( 4.608 -1.070 -0.782) 4.794 19.617 ( -3.489 1.658 0.035) 3.863 20.005 ( -13.418 -3.752 0.016) 13.933 21.035 ( 13.088 3.704 0.049) 13.602 21.581 ( -4.568 1.513 0.032) 4.813 21.883 ( -0.823 -0.948 -0.346) 1.302 21.989 ( 0.015 0.239 1.177) 1.201 22.063 ( -0.415 -0.308 -1.419) 1.510 22.162 ( 0.138 -0.662 0.581) 0.891 22.988 ( -1.372 3.470 0.770) 3.810 23.075 ( 2.244 -3.401 -1.452) 4.326 23.277 ( -1.505 -1.057 1.030) 2.107 23.410 ( 1.069 -3.458 -0.366) 3.638 ======================= Grid point 18 (13/86) ======================= q-point: (-0.30 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 1.372 3.941 4.486) 6.126 1.297 ( -3.296 16.268 -0.786) 16.617 1.535 ( -4.054 12.507 -1.316) 13.213 1.693 ( -0.527 7.130 0.602) 7.174 1.996 ( -3.338 4.356 -0.722) 5.535 2.158 ( -1.207 -4.646 -3.682) 6.050 2.195 ( 0.998 0.919 -0.303) 1.390 2.339 ( -6.630 8.958 1.904) 11.306 2.485 ( -3.291 17.022 -2.264) 17.484 2.553 ( -4.989 1.262 5.479) 7.516 2.676 ( -0.908 -4.129 -2.651) 4.990 2.880 ( -3.008 2.511 -0.399) 3.939 2.942 ( 2.038 4.664 1.588) 5.332 3.002 ( -5.890 3.087 2.430) 7.080 3.143 ( 0.160 -3.958 0.924) 4.068 3.187 ( -1.757 -0.384 -2.248) 2.879 3.262 ( 6.091 -8.710 -3.718) 11.261 3.347 ( 2.204 2.607 -1.106) 3.589 3.467 ( 1.629 1.803 1.882) 3.074 3.529 ( 1.451 -3.707 2.220) 4.558 3.586 ( -0.372 -2.258 0.222) 2.299 3.670 ( 6.417 -3.591 -6.798) 10.014 3.756 ( -0.286 -1.057 4.817) 4.940 3.851 ( -3.865 -0.374 -2.332) 4.530 3.909 ( -0.225 2.504 1.075) 2.735 4.035 ( 1.228 -0.326 -0.056) 1.272 4.266 ( 0.410 -0.435 7.171) 7.196 4.337 ( 2.990 -2.577 -4.023) 5.636 4.512 ( -9.864 -0.911 -0.135) 9.907 4.651 ( -0.990 -7.908 0.003) 7.970 4.670 ( 10.239 1.367 -0.693) 10.353 4.903 ( 0.282 3.044 -3.509) 4.654 5.002 ( -0.858 0.398 0.768) 1.218 5.060 ( 6.946 -1.825 -2.763) 7.695 5.102 ( -1.312 2.546 6.142) 6.777 5.363 ( -0.566 1.884 -1.087) 2.248 5.458 ( 5.341 0.924 -1.355) 5.587 5.460 ( 4.740 -0.800 -0.869) 4.885 5.526 ( -1.582 2.935 3.130) 4.573 5.634 ( -6.516 -3.979 0.119) 7.635 5.810 ( -0.559 -1.533 -3.313) 3.693 6.001 ( 0.981 3.353 0.206) 3.500 6.084 ( -0.851 2.726 -0.173) 2.861 6.100 ( -4.356 -1.773 2.047) 5.130 6.257 ( -5.432 3.076 0.147) 6.244 6.345 ( -6.588 -5.103 -0.904) 8.382 6.610 ( -2.840 1.742 1.238) 3.554 6.715 ( -3.299 -0.937 0.325) 3.445 6.857 ( -2.476 -2.641 1.204) 3.815 6.916 ( -2.776 3.291 -1.313) 4.501 7.402 ( -1.008 -0.665 -0.793) 1.444 7.658 ( 2.496 -0.635 2.093) 3.319 7.732 ( -0.694 -4.530 -3.994) 6.079 7.857 ( -3.185 -8.355 -0.376) 8.950 7.886 ( -2.282 2.511 5.553) 6.507 8.337 ( 1.272 0.669 -6.965) 7.112 8.562 ( 3.348 -2.079 3.248) 5.107 8.647 ( 2.152 -2.227 1.125) 3.295 8.835 ( 5.884 -2.084 -3.685) 7.249 8.873 ( 1.155 -1.407 3.906) 4.310 9.275 ( 7.227 2.364 -2.118) 7.893 9.484 ( -4.300 2.114 1.841) 5.133 9.845 ( 2.827 1.609 -0.343) 3.271 10.058 ( -4.152 4.715 0.397) 6.295 10.347 ( -4.449 -1.712 1.237) 4.925 10.381 ( 0.356 1.390 -1.768) 2.277 10.703 ( 2.909 0.307 0.591) 2.984 10.795 ( -2.677 -4.321 -0.125) 5.084 10.862 ( -1.161 1.370 -0.252) 1.813 10.907 ( -1.803 2.357 0.162) 2.972 11.082 ( 3.206 -3.994 -0.372) 5.135 11.119 ( 3.161 -1.235 0.304) 3.407 11.514 ( 1.184 -2.682 -0.025) 2.932 11.626 ( -3.044 -4.201 -0.402) 5.203 11.882 ( -0.490 3.132 -0.106) 3.172 11.933 ( -0.952 2.130 0.308) 2.353 12.543 ( -0.688 3.653 0.267) 3.727 12.622 ( -0.319 3.575 -0.085) 3.590 12.977 ( 1.344 -8.165 -0.768) 8.310 13.149 ( 0.806 -5.834 0.610) 5.921 16.128 ( -3.357 -0.334 0.658) 3.437 16.276 ( -0.594 -3.222 -0.675) 3.345 18.124 ( 7.375 0.194 -0.569) 7.399 18.323 ( -0.471 3.442 2.585) 4.330 18.470 ( 0.101 8.675 -2.173) 8.944 18.524 ( -8.070 -1.997 -0.718) 8.344 18.917 ( 5.873 -7.467 2.321) 9.779 19.164 ( -3.198 -2.603 -2.498) 4.822 19.365 ( 3.836 -1.649 0.865) 4.264 19.504 ( 1.750 -0.709 0.333) 1.917 19.642 ( 0.605 -5.859 0.027) 5.890 19.986 ( -13.460 -5.241 0.013) 14.444 21.016 ( 14.302 9.367 -0.457) 17.103 21.432 ( -9.437 7.467 0.578) 12.048 21.956 ( 0.809 -5.311 -0.449) 5.391 21.972 ( -0.285 1.556 -1.013) 1.879 22.021 ( -1.379 2.644 1.850) 3.509 22.247 ( 1.368 -6.482 -0.955) 6.693 22.886 ( -1.367 5.676 0.875) 5.903 23.144 ( 2.130 -1.844 -1.359) 3.128 23.275 ( -0.274 0.745 0.830) 1.149 23.494 ( 3.543 -3.415 0.047) 4.921 ======================= Grid point 19 (14/86) ======================= q-point: (-0.20 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -2.137 7.534 -1.164) 7.917 1.054 ( -3.158 16.173 0.806) 16.498 1.337 ( -1.859 8.141 1.363) 8.461 1.557 ( 2.249 5.721 1.750) 6.391 1.841 ( -3.038 8.732 -0.316) 9.251 1.939 ( -2.161 16.360 -2.683) 16.719 2.046 ( -5.564 11.785 0.438) 13.039 2.073 ( -7.134 20.147 0.381) 21.377 2.416 ( 1.934 -10.260 -1.628) 10.567 2.493 ( -1.329 3.746 2.506) 4.699 2.713 ( -0.131 0.567 -4.168) 4.209 2.755 ( -6.073 4.094 2.952) 7.897 2.826 ( -2.448 4.466 1.659) 5.356 2.978 ( 3.185 2.555 -1.948) 4.524 3.156 ( -2.217 0.880 0.960) 2.571 3.212 ( -1.299 -1.275 0.958) 2.057 3.289 ( 1.691 3.363 0.592) 3.811 3.359 ( 2.974 4.448 -2.573) 5.937 3.480 ( 0.191 -8.072 1.224) 8.166 3.629 ( -0.116 -2.197 0.123) 2.203 3.663 ( 1.546 -3.704 -0.628) 4.062 3.767 ( 2.023 0.667 -0.122) 2.134 3.805 ( 1.796 -5.259 3.606) 6.625 3.841 ( 1.001 -3.358 -4.376) 5.606 3.946 ( 3.362 -4.950 -2.806) 6.609 4.093 ( -1.112 -4.658 2.752) 5.524 4.304 ( 4.198 -0.237 3.735) 5.624 4.359 ( -0.793 0.660 -1.457) 1.785 4.476 ( -6.638 -3.137 -1.257) 7.448 4.652 ( 3.128 3.816 0.482) 4.958 4.776 ( 3.721 -0.240 3.315) 4.989 4.809 ( 0.152 4.094 -4.197) 5.865 5.000 ( -4.115 2.671 2.173) 5.366 5.059 ( -2.370 -4.801 1.589) 5.585 5.133 ( 6.167 -0.976 -2.151) 6.604 5.318 ( 0.754 1.470 -4.938) 5.207 5.430 ( -2.777 2.188 3.324) 4.853 5.494 ( 4.141 2.396 2.677) 5.482 5.564 ( 5.859 -3.732 0.431) 6.960 5.656 ( -2.900 -3.605 -2.407) 5.215 5.772 ( -4.468 1.015 -1.932) 4.972 6.008 ( 0.080 0.055 1.288) 1.292 6.063 ( 1.875 -0.149 -0.740) 2.022 6.146 ( -5.830 -2.991 2.446) 6.994 6.196 ( 6.685 -0.396 -3.642) 7.623 6.369 ( -12.373 -4.334 1.219) 13.167 6.526 ( -2.637 3.502 0.527) 4.416 6.745 ( -6.966 -4.912 3.148) 9.086 6.817 ( -0.183 2.334 -1.204) 2.632 6.932 ( -1.017 -4.025 -0.531) 4.186 7.383 ( -1.701 1.416 -0.320) 2.236 7.654 ( 0.954 0.974 -0.558) 1.473 7.844 ( 2.687 -4.414 -2.187) 5.611 7.874 ( -3.052 -3.399 4.935) 6.725 8.054 ( -1.317 -11.956 -0.998) 12.070 8.286 ( -0.235 2.524 -1.418) 2.904 8.633 ( 4.377 -1.341 -1.701) 4.884 8.710 ( 0.873 -2.308 0.896) 2.625 8.856 ( -0.226 2.934 0.300) 2.958 8.916 ( 1.974 -1.762 0.775) 2.757 9.265 ( 6.022 3.682 -3.786) 8.010 9.376 ( -6.300 5.494 4.534) 9.509 9.872 ( 4.071 -0.182 -1.608) 4.381 9.941 ( -4.524 0.320 0.892) 4.622 10.371 ( 0.760 -1.221 -0.615) 1.564 10.383 ( -1.651 -2.517 0.268) 3.022 10.731 ( 4.699 0.193 2.026) 5.121 10.783 ( 1.859 4.230 -1.718) 4.929 10.835 ( -3.171 -1.424 -0.138) 3.479 10.910 ( -4.544 -3.590 0.485) 5.812 11.159 ( -0.585 -2.404 -1.270) 2.781 11.195 ( 2.474 -3.310 0.666) 4.185 11.587 ( 0.678 -3.973 -0.319) 4.043 11.694 ( -3.963 -5.451 0.478) 6.757 11.818 ( -1.071 2.346 -0.327) 2.599 11.890 ( -0.143 1.781 0.150) 1.793 12.483 ( -0.026 2.105 0.243) 2.119 12.565 ( 0.274 2.391 -0.113) 2.409 13.138 ( 0.195 -7.833 -0.283) 7.841 13.280 ( 1.368 -6.318 0.155) 6.467 16.115 ( -2.860 -0.683 1.065) 3.127 16.347 ( -0.491 -4.913 -1.006) 5.039 18.162 ( 6.621 5.684 -0.910) 8.774 18.210 ( 3.315 5.255 0.886) 6.277 18.267 ( -0.790 10.486 -0.369) 10.522 18.531 ( -11.012 -5.883 0.743) 12.507 19.151 ( 7.573 -9.365 0.030) 12.044 19.262 ( -2.967 -10.421 1.152) 10.896 19.391 ( -0.768 -0.533 -2.784) 2.936 19.572 ( -1.366 -6.169 1.760) 6.559 19.803 ( 6.214 -6.916 -0.212) 9.300 19.989 ( -11.365 -5.465 -0.015) 12.611 20.897 ( 13.697 15.298 -1.358) 20.579 21.176 ( -11.858 9.382 1.686) 15.215 21.901 ( -0.531 4.673 -1.149) 4.841 21.951 ( -0.561 2.807 0.565) 2.918 22.103 ( 0.334 -7.588 0.281) 7.601 22.392 ( 1.328 -6.960 -0.628) 7.113 22.766 ( -0.772 5.761 0.644) 5.848 23.165 ( 1.231 1.041 -0.408) 1.664 23.246 ( 0.537 2.529 -0.012) 2.585 23.595 ( 4.004 -3.696 0.457) 5.468 ======================= Grid point 20 (15/86) ======================= q-point: (-0.10 0.10 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.672 ( 0.000 19.747 -0.000) 19.747 1.008 ( -0.000 -4.930 0.000) 4.930 1.028 ( 0.000 21.792 -0.000) 21.792 1.435 ( 0.000 29.751 -0.000) 29.751 1.476 ( 0.000 10.671 -0.000) 10.671 1.684 ( 0.000 2.900 -0.000) 2.900 1.722 ( 0.000 10.983 -0.000) 10.983 1.894 ( 0.000 2.349 -0.000) 2.349 2.376 ( 0.000 5.915 -0.000) 5.915 2.556 ( 0.000 2.495 -0.000) 2.495 2.642 ( 0.000 4.367 -0.000) 4.367 2.673 ( 0.000 2.618 -0.000) 2.618 2.802 ( -0.000 -5.108 0.000) 5.108 2.881 ( 0.000 7.603 -0.000) 7.603 3.111 ( 0.000 1.925 -0.000) 1.925 3.177 ( 0.000 2.208 -0.000) 2.208 3.297 ( -0.000 -2.853 0.000) 2.853 3.354 ( -0.000 -1.656 0.000) 1.656 3.594 ( -0.000 -1.334 0.000) 1.334 3.655 ( -0.000 -0.181 0.000) 0.181 3.708 ( -0.000 -0.950 0.000) 0.950 3.757 ( -0.000 -1.294 0.000) 1.294 3.878 ( -0.000 -1.254 0.000) 1.254 3.943 ( -0.000 -3.550 0.000) 3.550 4.054 ( -0.000 -0.942 0.000) 0.942 4.186 ( -0.000 -5.972 0.000) 5.972 4.288 ( -0.000 -0.274 0.000) 0.274 4.414 ( -0.000 -5.860 0.000) 5.860 4.519 ( -0.000 -1.576 0.000) 1.576 4.611 ( -0.000 -1.496 0.000) 1.496 4.743 ( 0.000 1.944 -0.000) 1.944 4.788 ( -0.000 -1.667 0.000) 1.667 4.966 ( -0.000 -0.050 0.000) 0.050 5.125 ( 0.000 0.131 -0.000) 0.131 5.186 ( -0.000 -1.919 0.000) 1.919 5.313 ( -0.000 -1.460 0.000) 1.460 5.421 ( -0.000 -0.294 0.000) 0.294 5.446 ( 0.000 0.882 -0.000) 0.882 5.658 ( -0.000 -2.280 0.000) 2.280 5.705 ( 0.000 1.530 -0.000) 1.530 5.741 ( -0.000 -3.200 0.000) 3.200 5.987 ( 0.000 1.667 -0.000) 1.667 6.056 ( 0.000 2.665 -0.000) 2.665 6.165 ( -0.000 -3.272 0.000) 3.272 6.277 ( 0.000 1.707 -0.000) 1.707 6.348 ( -0.000 -3.809 0.000) 3.809 6.465 ( 0.000 1.837 -0.000) 1.837 6.770 ( -0.000 -1.446 0.000) 1.446 6.851 ( -0.000 -5.471 0.000) 5.471 6.988 ( -0.000 -1.737 0.000) 1.737 7.328 ( 0.000 3.149 -0.000) 3.149 7.639 ( 0.000 0.877 -0.000) 0.877 7.941 ( -0.000 -6.555 0.000) 6.555 7.969 ( -0.000 -5.094 0.000) 5.094 8.154 ( 0.000 1.635 -0.000) 1.635 8.359 ( -0.000 -10.746 0.000) 10.746 8.657 ( 0.000 0.884 -0.000) 0.884 8.750 ( -0.000 -1.608 0.000) 1.608 8.753 ( 0.000 6.947 -0.000) 6.947 8.948 ( -0.000 -0.678 0.000) 0.678 9.205 ( 0.000 7.704 -0.000) 7.704 9.233 ( 0.000 2.432 -0.000) 2.432 9.830 ( 0.000 1.627 -0.000) 1.627 10.085 ( -0.000 -11.934 0.000) 11.934 10.391 ( -0.000 -1.061 0.000) 1.061 10.438 ( -0.000 -3.208 0.000) 3.208 10.695 ( 0.000 4.307 -0.000) 4.307 10.799 ( -0.000 -1.716 0.000) 1.716 10.803 ( 0.000 2.681 -0.000) 2.681 10.950 ( -0.000 -2.217 0.000) 2.217 11.168 ( 0.000 0.122 -0.000) 0.122 11.265 ( -0.000 -2.618 0.000) 2.618 11.672 ( -0.000 -4.367 0.000) 4.367 11.752 ( -0.000 -2.094 0.000) 2.094 11.792 ( -0.000 -0.282 0.000) 0.282 11.878 ( -0.000 -1.198 0.000) 1.198 12.463 ( 0.000 0.190 -0.000) 0.190 12.529 ( 0.000 1.566 -0.000) 1.566 13.274 ( -0.000 -6.016 0.000) 6.016 13.403 ( -0.000 -5.645 0.000) 5.645 16.115 ( -0.000 -0.598 0.000) 0.598 16.458 ( -0.000 -7.086 0.000) 7.086 18.008 ( 0.000 8.546 -0.000) 8.546 18.043 ( 0.000 9.940 -0.000) 9.940 18.220 ( 0.000 2.657 -0.000) 2.657 18.582 ( -0.000 -5.120 0.000) 5.120 19.343 ( -0.000 -7.731 0.000) 7.731 19.377 ( -0.000 -0.688 0.000) 0.688 19.523 ( -0.000 -14.168 0.000) 14.168 19.720 ( -0.000 -9.624 0.000) 9.624 19.964 ( -0.000 -6.070 0.000) 6.070 20.038 ( -0.000 -5.254 0.000) 5.254 20.588 ( 0.000 22.015 -0.000) 22.015 20.955 ( 0.000 8.544 -0.000) 8.544 21.791 ( 0.000 5.953 -0.000) 5.953 21.914 ( 0.000 0.505 -0.000) 0.505 22.250 ( -0.000 -7.229 0.000) 7.229 22.516 ( -0.000 -5.124 0.000) 5.124 22.663 ( 0.000 4.584 -0.000) 4.584 23.115 ( 0.000 4.729 -0.000) 4.729 23.185 ( 0.000 4.026 -0.000) 4.026 23.690 ( -0.000 -3.730 0.000) 3.730 ======================= Grid point 23 (16/86) ======================= q-point: ( 0.20 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 22.148 -0.000 0.876) 22.165 0.855 ( 24.553 -0.000 1.448) 24.596 1.253 ( 11.226 -0.000 -7.808) 13.675 1.317 ( 15.123 -0.000 -0.509) 15.132 1.538 ( 41.025 -0.000 2.541) 41.104 1.903 ( 8.369 -0.000 4.008) 9.280 2.066 ( 12.260 -0.000 7.399) 14.319 2.217 ( 5.469 -0.000 -3.323) 6.399 2.274 ( 7.585 -0.000 0.858) 7.633 2.435 ( 7.535 -0.000 -5.255) 9.187 2.653 ( -1.035 0.000 2.155) 2.390 2.665 ( 4.639 -0.000 -8.916) 10.051 2.816 ( -5.071 0.000 0.017) 5.071 2.861 ( 4.077 -0.000 3.252) 5.215 3.091 ( -11.247 0.000 5.591) 12.560 3.127 ( -1.535 0.000 -0.497) 1.614 3.313 ( -3.569 0.000 2.271) 4.230 3.404 ( -4.262 0.000 0.830) 4.342 3.442 ( 0.810 -0.000 -1.581) 1.777 3.653 ( 2.752 -0.000 -3.593) 4.526 3.658 ( 2.297 -0.000 -4.277) 4.855 3.679 ( -1.191 0.000 -0.194) 1.206 3.828 ( 0.181 -0.000 3.421) 3.426 3.976 ( 2.598 -0.000 -2.748) 3.782 4.001 ( 1.324 -0.000 0.368) 1.374 4.199 ( -15.069 0.000 5.617) 16.082 4.382 ( -6.231 0.000 0.487) 6.250 4.419 ( -0.688 0.000 -6.707) 6.743 4.610 ( -8.471 0.000 2.049) 8.715 4.613 ( -5.292 0.000 2.562) 5.879 4.829 ( -6.117 0.000 2.884) 6.763 4.846 ( -4.273 0.000 -1.370) 4.488 4.953 ( 6.118 -0.000 -3.838) 7.222 5.084 ( -3.144 0.000 -4.500) 5.489 5.099 ( 1.923 -0.000 -8.027) 8.254 5.126 ( -2.983 0.000 5.464) 6.225 5.148 ( -9.010 0.000 4.262) 9.968 5.428 ( -10.767 0.000 2.662) 11.091 5.445 ( -7.248 0.000 -3.793) 8.181 5.729 ( -0.497 0.000 1.810) 1.877 5.759 ( -3.822 0.000 -0.552) 3.861 5.859 ( -0.805 0.000 -0.302) 0.860 6.072 ( -0.641 0.000 -0.448) 0.782 6.178 ( -3.114 0.000 -0.314) 3.130 6.473 ( 7.571 -0.000 -3.320) 8.267 6.584 ( 10.192 -0.000 2.936) 10.606 6.714 ( 1.040 -0.000 4.287) 4.411 6.781 ( 9.998 -0.000 -0.070) 9.998 7.095 ( 19.666 -0.000 -8.078) 21.260 7.292 ( 3.806 -0.000 -3.313) 5.047 7.617 ( 0.803 -0.000 5.873) 5.928 7.830 ( -2.390 0.000 -4.712) 5.284 7.871 ( -6.575 0.000 -7.266) 9.799 8.129 ( -9.240 0.000 16.406) 18.829 8.264 ( -7.043 0.000 4.402) 8.306 8.404 ( 6.447 -0.000 -3.218) 7.206 8.588 ( -9.737 0.000 -0.175) 9.739 8.647 ( -3.965 0.000 -3.102) 5.035 8.867 ( 11.080 -0.000 2.618) 11.385 9.114 ( 2.414 -0.000 5.384) 5.900 9.455 ( 12.092 -0.000 -7.211) 14.079 9.612 ( -7.539 0.000 -9.938) 12.474 9.904 ( 2.278 -0.000 -6.273) 6.674 10.078 ( -10.082 0.000 7.811) 12.754 10.233 ( -13.691 0.000 2.799) 13.975 10.410 ( 0.396 -0.000 -15.300) 15.305 10.568 ( 0.051 -0.000 4.745) 4.746 10.636 ( 4.089 -0.000 -0.054) 4.089 10.864 ( 8.383 -0.000 -4.121) 9.341 11.101 ( 3.870 -0.000 6.526) 7.587 11.171 ( 8.843 -0.000 0.048) 8.843 11.431 ( 4.342 -0.000 1.501) 4.594 11.607 ( -5.221 0.000 -0.594) 5.254 11.657 ( -3.999 0.000 0.068) 4.000 12.286 ( 11.182 -0.000 0.506) 11.194 12.403 ( -3.302 0.000 0.274) 3.313 12.522 ( 9.031 -0.000 -1.031) 9.089 12.870 ( 8.509 -0.000 -3.947) 9.380 13.314 ( -4.521 0.000 0.364) 4.536 13.356 ( -3.531 0.000 -0.823) 3.626 16.418 ( -4.774 0.000 -21.295) 21.824 16.612 ( -13.214 0.000 12.256) 18.023 17.882 ( 8.273 -0.000 0.995) 8.332 17.933 ( 6.878 -0.000 -1.662) 7.076 18.336 ( 9.877 -0.000 -1.256) 9.957 18.596 ( 3.164 -0.000 -3.440) 4.674 19.202 ( -13.936 0.000 2.177) 14.105 19.246 ( -11.150 0.000 -0.480) 11.160 19.898 ( -2.465 0.000 -0.331) 2.487 19.951 ( -4.367 0.000 -0.161) 4.370 20.047 ( 6.168 -0.000 -2.486) 6.650 20.465 ( 11.839 -0.000 12.032) 16.879 20.718 ( 19.454 -0.000 2.108) 19.568 21.354 ( 17.623 -0.000 -44.765) 48.110 21.966 ( -3.451 0.000 7.182) 7.968 22.013 ( 3.197 -0.000 0.555) 3.245 22.039 ( -5.696 0.000 18.455) 19.314 22.438 ( -0.654 0.000 -0.952) 1.155 22.534 ( 0.127 -0.000 -3.261) 3.263 22.766 ( -6.523 0.000 4.473) 7.909 22.873 ( -3.094 0.000 0.271) 3.106 22.944 ( -6.904 0.000 -0.845) 6.956 ======================= Grid point 24 (17/86) ======================= q-point: ( 0.30 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( 18.381 -6.832 2.522) 19.771 1.108 ( 20.455 -6.329 2.071) 21.512 1.279 ( 9.730 3.633 0.563) 10.402 1.548 ( 15.849 -7.163 -5.384) 18.207 1.888 ( 22.501 -1.913 -3.429) 22.841 1.942 ( 12.320 0.236 3.496) 12.809 2.154 ( 4.421 0.796 -0.472) 4.517 2.224 ( 12.890 -1.130 1.100) 12.986 2.386 ( 10.248 -2.213 -1.653) 10.614 2.542 ( -0.331 -3.157 2.860) 4.273 2.599 ( 0.206 -4.745 -0.318) 4.760 2.764 ( -3.786 -1.391 -0.895) 4.131 2.825 ( 8.452 -4.486 -4.208) 10.453 2.902 ( -3.159 -0.354 4.377) 5.409 3.025 ( 0.795 -1.576 1.481) 2.304 3.153 ( -5.151 -1.185 -0.052) 5.286 3.276 ( 1.444 1.871 2.614) 3.524 3.339 ( -0.962 3.162 -1.409) 3.593 3.459 ( -5.400 -2.594 3.144) 6.766 3.601 ( 1.455 2.210 -4.661) 5.360 3.646 ( -1.885 2.207 -1.272) 3.169 3.726 ( -0.160 -2.764 -1.301) 3.059 3.820 ( 1.079 2.644 -0.253) 2.867 3.899 ( -1.730 7.290 -2.339) 7.849 4.008 ( -5.850 1.971 5.889) 8.532 4.126 ( -4.652 -1.721 0.537) 4.990 4.265 ( -6.308 2.066 -0.212) 6.641 4.426 ( -2.393 0.865 -4.139) 4.858 4.443 ( -6.297 6.294 2.067) 9.140 4.565 ( -3.264 1.004 1.243) 3.634 4.750 ( -5.186 2.022 2.433) 6.074 4.891 ( -4.372 -4.496 -3.319) 7.095 4.967 ( 0.491 0.159 -1.831) 1.903 5.041 ( -1.815 3.218 1.644) 4.044 5.069 ( -1.437 1.690 0.501) 2.274 5.135 ( -5.910 -3.055 2.509) 7.110 5.150 ( 0.763 -4.205 -6.064) 7.419 5.337 ( -10.280 -0.678 0.951) 10.346 5.433 ( -9.480 -5.399 -0.348) 10.915 5.640 ( -0.368 4.924 1.850) 5.273 5.830 ( 1.681 -4.465 0.731) 4.827 5.891 ( -2.006 -3.532 -0.664) 4.116 6.076 ( 0.685 -0.513 -0.298) 0.906 6.150 ( -1.342 -0.029 -0.861) 1.595 6.525 ( 8.608 0.609 -3.177) 9.196 6.640 ( 2.659 0.254 4.384) 5.134 6.745 ( 8.701 0.536 -0.232) 8.721 6.880 ( 2.568 -2.144 3.353) 4.737 7.170 ( 12.608 4.548 -6.407) 14.856 7.353 ( 4.524 -2.316 -3.002) 5.903 7.614 ( -0.463 2.439 4.772) 5.379 7.713 ( -0.579 8.802 -0.651) 8.845 7.789 ( -7.011 0.407 -3.967) 8.066 8.100 ( -4.104 -1.696 6.962) 8.257 8.220 ( -2.500 0.567 0.500) 2.612 8.352 ( -0.360 7.335 -2.260) 7.684 8.520 ( -6.508 -0.305 4.791) 8.087 8.658 ( -4.050 -3.661 -3.900) 6.709 8.980 ( 8.897 -0.400 1.083) 8.972 9.072 ( 2.968 6.295 1.452) 7.109 9.312 ( -0.804 17.093 -5.023) 17.833 9.540 ( 11.000 -0.804 -6.521) 12.812 9.901 ( -0.151 0.076 -1.268) 1.280 9.984 ( -10.415 2.788 6.678) 12.682 10.188 ( -7.068 -3.261 3.793) 8.659 10.413 ( -0.077 -1.807 -10.199) 10.358 10.561 ( 0.977 1.255 3.047) 3.437 10.678 ( 1.710 0.447 -0.302) 1.793 10.939 ( 8.030 -3.204 -0.488) 8.660 11.208 ( 7.947 0.544 1.938) 8.198 11.229 ( 5.565 -2.457 1.772) 6.336 11.419 ( -1.482 2.307 -2.722) 3.863 11.572 ( -1.870 0.222 2.314) 2.984 11.653 ( -3.783 -2.245 -0.743) 4.461 12.337 ( 6.006 0.856 1.235) 6.191 12.383 ( 0.331 0.974 -0.909) 1.373 12.509 ( 9.002 8.961 -0.050) 12.702 12.710 ( 11.966 17.357 -1.342) 21.125 13.277 ( -6.776 1.124 -0.165) 6.870 13.310 ( -3.410 2.250 -0.118) 4.087 16.277 ( -4.999 3.572 -8.030) 10.111 16.513 ( -13.266 2.278 5.845) 14.674 17.889 ( 7.688 3.302 0.095) 8.368 18.059 ( 6.956 -4.464 -0.451) 8.277 18.207 ( 11.625 5.543 -0.024) 12.879 18.877 ( 1.117 -7.393 -1.766) 7.682 19.108 ( -9.701 0.745 1.252) 9.810 19.248 ( -15.903 -12.608 -0.183) 20.295 19.738 ( -3.774 10.920 -2.410) 11.802 19.809 ( -1.890 11.474 3.697) 12.203 20.032 ( 4.329 4.898 -6.477) 9.202 20.530 ( 10.612 7.013 11.660) 17.255 20.830 ( 21.213 6.453 -0.037) 22.173 21.233 ( 13.720 4.313 -17.610) 22.736 21.812 ( 0.645 -0.307 7.930) 7.962 21.996 ( 2.728 1.497 -0.928) 3.247 22.289 ( -5.247 1.827 1.482) 5.751 22.424 ( -2.780 -2.293 1.866) 4.058 22.610 ( 1.362 -5.369 -3.585) 6.598 22.836 ( -8.175 -11.435 -0.440) 14.064 22.938 ( -7.607 -9.483 1.866) 12.299 22.955 ( -6.686 -6.492 -0.362) 9.326 ======================= Grid point 25 (18/86) ======================= q-point: ( 0.40 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 9.131 -8.597 5.063) 13.525 1.284 ( 8.226 1.516 4.463) 9.480 1.419 ( 16.083 -9.080 2.193) 18.599 1.713 ( 17.322 2.329 -12.727) 21.621 1.953 ( 1.524 -0.098 -5.189) 5.409 2.047 ( 9.146 -3.322 0.003) 9.730 2.263 ( 3.407 -5.300 1.584) 6.497 2.380 ( 6.594 -0.228 0.489) 6.616 2.492 ( 7.718 -4.452 2.831) 9.349 2.606 ( -1.266 -1.643 3.672) 4.217 2.699 ( -2.453 -1.437 4.261) 5.122 2.771 ( 1.734 -4.018 -2.235) 4.914 2.941 ( 1.791 -6.148 2.217) 6.776 3.013 ( 6.389 -7.709 -5.655) 11.499 3.070 ( -2.353 0.553 4.121) 4.778 3.083 ( -2.858 1.834 -0.561) 3.442 3.260 ( 2.519 2.596 -2.735) 4.535 3.303 ( 5.337 1.812 0.088) 5.636 3.479 ( -6.325 -3.558 3.124) 7.901 3.533 ( -2.618 2.406 -2.065) 4.112 3.606 ( -1.650 -0.551 -3.486) 3.896 3.718 ( -1.042 5.629 -0.765) 5.775 3.742 ( -3.905 4.050 2.536) 6.171 3.819 ( 7.576 -0.790 -2.542) 8.030 3.904 ( -5.462 2.047 3.306) 6.704 4.052 ( -3.341 4.250 -1.037) 5.505 4.220 ( -6.074 4.446 1.427) 7.662 4.318 ( -1.497 -1.418 -0.919) 2.258 4.347 ( -5.810 4.057 -0.129) 7.088 4.561 ( -6.314 -1.745 3.655) 7.501 4.711 ( -3.446 -1.103 0.280) 3.629 4.857 ( -3.250 0.313 -3.811) 5.018 4.935 ( -0.600 3.546 1.889) 4.063 5.006 ( -8.654 -1.899 -2.072) 9.099 5.049 ( -1.162 -1.918 -1.243) 2.564 5.172 ( 2.375 -2.365 -2.159) 3.987 5.226 ( 0.411 -2.894 0.446) 2.957 5.329 ( -4.276 -5.405 1.792) 7.121 5.492 ( -6.406 -6.137 0.165) 8.873 5.577 ( 1.168 2.141 1.117) 2.682 5.889 ( -1.770 -0.420 0.837) 2.002 5.953 ( -1.404 -4.441 -0.919) 4.747 6.106 ( 2.889 -1.141 0.464) 3.140 6.177 ( 3.335 -2.390 -1.249) 4.289 6.564 ( 8.158 1.719 -1.861) 8.542 6.654 ( 1.196 0.961 2.406) 2.854 6.788 ( 6.281 2.094 -0.773) 6.666 6.908 ( 0.812 1.137 4.404) 4.620 7.109 ( 3.682 6.229 -3.210) 7.916 7.305 ( -1.034 10.062 0.010) 10.115 7.540 ( -1.328 4.078 3.871) 5.777 7.570 ( 0.476 4.883 -5.516) 7.382 7.782 ( -0.494 -2.915 -0.688) 3.035 8.085 ( -9.707 2.129 2.342) 10.210 8.189 ( 0.413 1.773 1.220) 2.191 8.278 ( 7.145 -1.933 -4.771) 8.807 8.508 ( -2.186 -0.084 7.638) 7.945 8.663 ( -4.525 -1.380 -3.081) 5.646 8.826 ( 0.010 13.032 -1.203) 13.087 8.973 ( -4.399 13.177 1.231) 13.947 9.157 ( 8.946 -2.160 -2.840) 9.631 9.625 ( 8.075 -0.481 -4.104) 9.070 9.888 ( -2.187 2.447 3.502) 4.800 9.912 ( -1.912 -2.833 0.347) 3.436 10.229 ( -4.507 -4.372 4.783) 7.893 10.427 ( 0.683 -1.350 -6.684) 6.853 10.556 ( 1.220 0.768 1.453) 2.047 10.661 ( -0.563 1.230 0.690) 1.519 11.069 ( 6.871 -2.844 0.704) 7.469 11.213 ( 9.573 4.922 -0.555) 10.779 11.267 ( 2.186 5.473 -1.394) 6.056 11.378 ( 0.492 -1.218 1.149) 1.745 11.559 ( -2.498 0.549 0.840) 2.692 11.667 ( -2.569 -1.587 -0.393) 3.045 12.267 ( 13.718 15.689 -0.207) 20.842 12.387 ( 3.685 -0.550 0.100) 3.727 12.455 ( 3.703 7.078 0.191) 7.991 12.476 ( 1.465 4.724 -0.113) 4.947 13.165 ( -6.527 5.141 -0.398) 8.319 13.213 ( -4.114 3.796 0.454) 5.617 16.189 ( -4.409 0.647 -2.641) 5.180 16.369 ( -9.406 3.513 2.207) 10.281 17.912 ( 5.384 -0.208 -0.033) 5.388 18.176 ( 2.412 -3.367 -0.178) 4.145 18.291 ( 11.289 -2.524 0.069) 11.568 18.886 ( -0.360 2.533 -0.543) 2.615 18.994 ( -7.000 4.132 0.753) 8.163 19.404 ( -12.372 -11.633 0.231) 16.984 19.480 ( -4.676 10.084 -2.490) 11.391 19.588 ( 2.660 11.244 6.601) 13.307 19.917 ( 0.338 6.385 -9.306) 11.291 20.395 ( 8.435 15.436 5.878) 18.546 20.893 ( 18.599 2.016 -0.385) 18.712 21.348 ( 6.126 -5.982 -3.456) 9.233 21.877 ( 0.782 -3.368 1.237) 3.673 22.010 ( 2.440 -0.274 1.603) 2.932 22.158 ( -3.506 5.861 -0.552) 6.852 22.375 ( -3.229 4.018 1.327) 5.323 22.727 ( 3.096 -5.959 -2.482) 7.160 22.967 ( -4.337 -6.658 0.617) 7.970 23.051 ( -4.636 -7.487 0.019) 8.807 23.073 ( -11.110 -11.121 0.079) 15.720 ======================= Grid point 26 (19/86) ======================= q-point: ( 0.50 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 6.841 -4.209 -3.076) 8.601 1.439 ( 7.033 -5.731 4.226) 10.009 1.668 ( 8.536 -2.437 0.148) 8.878 1.759 ( 12.828 -1.692 -3.463) 13.394 1.974 ( -1.082 -2.078 -1.590) 2.831 2.180 ( 2.205 -4.574 -0.999) 5.175 2.311 ( -2.594 3.441 5.609) 7.073 2.406 ( 3.213 -2.906 -0.436) 4.354 2.553 ( 1.108 4.941 -1.277) 5.223 2.616 ( -10.651 -4.614 6.406) 13.258 2.707 ( 1.409 -1.655 -0.234) 2.186 2.857 ( 8.117 0.499 -4.208) 9.157 2.992 ( -5.524 0.740 0.924) 5.649 3.076 ( 5.588 1.272 1.257) 5.868 3.085 ( -0.186 -4.458 -1.901) 4.850 3.159 ( 0.212 -2.188 -1.769) 2.822 3.251 ( 2.458 -1.474 -1.391) 3.186 3.338 ( 6.336 -1.417 1.410) 6.644 3.490 ( -0.982 1.121 1.124) 1.867 3.523 ( -0.954 -5.080 -2.382) 5.691 3.586 ( -5.116 3.349 3.220) 6.911 3.608 ( -1.291 3.656 -2.689) 4.719 3.701 ( -0.522 -2.912 -0.399) 2.986 3.794 ( -1.403 1.473 3.118) 3.723 3.912 ( -3.920 6.000 -0.168) 7.169 3.996 ( 5.645 -5.908 -3.735) 8.984 4.108 ( -0.652 2.627 0.244) 2.718 4.234 ( -5.231 2.510 -1.388) 5.966 4.341 ( -3.336 -2.363 1.544) 4.370 4.533 ( -6.796 -0.850 5.264) 8.639 4.668 ( -10.365 0.491 1.295) 10.457 4.861 ( 1.438 -1.825 -5.393) 5.872 4.939 ( 1.070 -2.968 5.610) 6.436 4.956 ( -3.711 -0.791 -5.594) 6.759 5.086 ( -3.960 -3.922 0.081) 5.574 5.227 ( 1.109 -1.134 -3.038) 3.427 5.301 ( 3.670 -3.722 1.040) 5.330 5.443 ( 4.951 -4.268 2.404) 6.965 5.530 ( -3.102 -2.145 -1.134) 3.938 5.583 ( -0.336 -1.208 1.634) 2.060 5.857 ( -1.048 1.837 -0.039) 2.115 6.005 ( -4.445 -3.539 0.566) 5.710 6.140 ( 1.853 0.165 -1.473) 2.373 6.280 ( 4.966 -4.065 -0.782) 6.465 6.573 ( 4.726 3.893 -2.487) 6.609 6.600 ( 3.414 7.929 4.861) 9.908 6.732 ( -1.577 3.832 0.367) 4.160 6.897 ( 3.512 2.996 -0.009) 4.617 7.027 ( -2.887 1.050 0.108) 3.074 7.045 ( -0.651 13.867 -1.755) 13.993 7.454 ( -2.918 3.566 4.346) 6.334 7.495 ( 0.491 2.287 -4.297) 4.892 7.792 ( -4.142 1.578 -0.891) 4.521 7.977 ( -2.145 2.565 -0.330) 3.359 8.199 ( 0.883 -1.346 -0.147) 1.617 8.396 ( 4.731 -1.322 -1.092) 5.032 8.449 ( 3.329 8.628 5.511) 10.766 8.635 ( -3.331 4.282 1.292) 5.577 8.651 ( -1.726 -1.531 -3.921) 4.549 8.729 ( -4.413 4.205 0.383) 6.107 9.266 ( 8.278 -1.804 -1.808) 8.663 9.637 ( 1.463 2.517 -0.392) 2.938 9.871 ( 2.623 0.512 0.256) 2.685 9.986 ( -0.464 -5.298 -0.508) 5.342 10.296 ( -3.772 -4.638 4.687) 7.597 10.446 ( 1.506 -0.890 -3.406) 3.829 10.549 ( 0.280 0.856 -0.738) 1.165 10.641 ( -3.432 -1.078 1.195) 3.791 11.085 ( 0.929 7.201 -0.025) 7.260 11.170 ( 7.230 5.438 -1.602) 9.187 11.192 ( 7.918 3.342 0.318) 8.600 11.399 ( 4.340 2.772 1.802) 5.456 11.503 ( -2.979 2.356 -0.391) 3.819 11.649 ( -2.672 1.847 -0.175) 3.253 12.100 ( 7.751 9.411 -0.136) 12.193 12.207 ( 5.611 13.499 -0.007) 14.619 12.481 ( -0.179 -5.141 -0.377) 5.158 12.553 ( 0.873 -5.549 0.359) 5.629 12.994 ( -4.732 7.039 -0.613) 8.503 13.110 ( -4.399 3.502 0.803) 5.680 16.157 ( -3.216 -0.612 -1.465) 3.587 16.253 ( -6.175 2.240 1.261) 6.689 17.975 ( 4.186 -2.224 -0.074) 4.741 18.222 ( -2.950 -2.115 -0.009) 3.630 18.428 ( 8.119 -2.720 0.459) 8.575 18.801 ( -2.538 5.000 -1.743) 5.871 18.889 ( 0.905 3.727 0.525) 3.871 19.308 ( -1.419 3.197 -0.696) 3.567 19.453 ( 1.426 3.180 2.290) 4.170 19.485 ( -3.141 0.827 4.991) 5.955 19.776 ( -5.601 3.384 -8.612) 10.817 20.146 ( 2.320 15.287 2.577) 15.675 21.031 ( 16.108 -1.313 0.507) 16.169 21.472 ( -0.201 -4.691 -0.938) 4.789 21.943 ( 0.698 -2.736 -0.950) 2.980 22.004 ( -1.832 3.212 0.370) 3.716 22.050 ( -0.144 2.387 1.422) 2.782 22.270 ( -2.027 4.197 0.501) 4.688 22.869 ( 3.897 -5.970 -2.004) 7.406 23.031 ( -2.836 -2.795 1.112) 4.134 23.142 ( -5.513 -6.108 1.082) 8.299 23.194 ( -4.654 -8.272 -0.967) 9.541 ======================= Grid point 27 (20/86) ======================= q-point: ( 0.60 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 8.389 4.484 -6.453) 11.495 1.598 ( 7.127 -5.353 -2.393) 9.229 1.749 ( 0.419 -3.459 0.975) 3.618 1.877 ( -1.622 -1.467 11.214) 11.425 1.946 ( -2.579 3.599 -0.908) 4.520 2.205 ( 2.169 6.249 3.740) 7.599 2.261 ( 0.048 -1.043 -3.053) 3.227 2.445 ( -1.283 3.950 -2.699) 4.953 2.472 ( -0.786 -2.892 -0.743) 3.088 2.614 ( -8.283 -3.974 2.060) 9.415 2.773 ( 5.894 -3.975 -1.590) 7.284 2.916 ( 0.144 3.401 0.373) 3.424 2.965 ( 0.881 -3.771 0.128) 3.875 3.050 ( -1.249 2.535 1.135) 3.046 3.090 ( 0.022 -0.342 -0.807) 0.877 3.205 ( 4.532 -0.329 -3.776) 5.908 3.286 ( -2.784 -1.113 -2.745) 4.065 3.305 ( -1.125 11.651 1.931) 11.863 3.468 ( -2.766 3.832 2.009) 5.135 3.491 ( 3.731 -2.246 -0.048) 4.355 3.551 ( -4.122 -2.532 4.493) 6.602 3.659 ( 3.367 -4.449 -3.783) 6.741 3.698 ( -3.837 -0.327 -0.840) 3.942 3.775 ( -1.021 1.595 2.121) 2.843 3.931 ( 3.761 -7.315 -1.425) 8.348 4.077 ( -1.149 0.431 -1.102) 1.649 4.136 ( -8.933 -0.779 2.801) 9.394 4.176 ( 7.934 -5.167 -4.970) 10.693 4.380 ( -1.232 -3.218 1.876) 3.923 4.520 ( -6.505 -0.215 3.786) 7.530 4.596 ( -4.934 -2.183 0.308) 5.405 4.917 ( -3.829 -2.214 1.184) 4.579 4.944 ( 5.448 -2.297 -7.478) 9.534 5.052 ( 3.615 -3.100 7.060) 8.516 5.133 ( -1.601 -2.756 -1.731) 3.627 5.226 ( -2.726 -1.167 -2.242) 3.717 5.399 ( 3.293 -3.359 -1.294) 4.879 5.529 ( -0.458 -0.224 -2.446) 2.499 5.563 ( 3.708 -0.290 1.884) 4.169 5.589 ( 2.495 -0.113 3.626) 4.403 5.826 ( 0.689 1.039 -0.491) 1.340 6.027 ( -4.318 -1.925 2.195) 5.213 6.123 ( -3.727 -0.456 -3.785) 5.331 6.350 ( 2.836 2.594 -3.014) 4.884 6.354 ( -2.691 11.971 4.426) 13.043 6.547 ( 5.040 7.381 1.069) 9.001 6.663 ( -2.401 2.702 1.960) 4.112 6.777 ( -1.159 5.484 -1.782) 5.882 6.856 ( -0.710 5.252 -4.233) 6.783 7.028 ( -0.988 -0.509 2.978) 3.178 7.400 ( 0.735 1.499 2.329) 2.865 7.480 ( 0.303 -1.560 -2.163) 2.685 7.700 ( -7.549 1.105 -0.453) 7.643 7.890 ( -0.742 5.878 -1.476) 6.106 8.184 ( -0.836 12.234 3.958) 12.886 8.258 ( 2.796 -2.947 -4.329) 5.937 8.493 ( 2.001 -0.644 2.329) 3.137 8.582 ( -1.325 -0.948 2.126) 2.678 8.706 ( 3.083 -4.287 -0.688) 5.325 8.752 ( 0.252 -4.282 -1.298) 4.481 9.342 ( 8.092 0.426 -0.782) 8.141 9.577 ( -1.054 3.280 -0.683) 3.512 9.887 ( 1.408 -0.001 1.615) 2.143 10.069 ( -1.152 -3.506 -1.978) 4.187 10.350 ( -1.560 -1.356 2.427) 3.187 10.461 ( 1.265 0.387 -0.658) 1.478 10.542 ( -3.266 -2.873 -0.729) 4.410 10.659 ( -3.017 -3.132 0.460) 4.373 10.929 ( -0.473 7.222 -0.379) 7.247 11.109 ( 6.186 5.881 -1.076) 8.603 11.176 ( 5.667 5.010 2.414) 7.940 11.324 ( 6.010 9.337 -0.943) 11.144 11.464 ( -0.598 -0.068 -0.044) 0.604 11.566 ( -4.723 1.925 -0.213) 5.105 12.020 ( 2.727 4.137 0.138) 4.957 12.050 ( 2.011 6.168 -0.097) 6.489 12.577 ( 0.627 -4.125 -0.612) 4.217 12.672 ( 0.339 -4.996 0.739) 5.062 12.840 ( -1.237 5.318 -0.948) 5.542 13.027 ( -3.638 1.190 0.914) 3.936 16.138 ( -2.566 0.286 -1.227) 2.858 16.201 ( -2.977 -0.572 1.118) 3.231 18.058 ( 4.353 -2.803 -0.128) 5.178 18.234 ( -5.113 -2.936 0.320) 5.905 18.519 ( 3.333 -1.876 1.271) 4.030 18.681 ( -2.054 4.413 -2.783) 5.606 18.840 ( 2.562 3.153 0.087) 4.064 19.321 ( 5.775 0.330 5.319) 7.859 19.380 ( 1.223 5.889 -0.747) 6.061 19.464 ( 2.564 -0.393 -1.536) 3.015 19.667 ( -6.842 1.978 -2.927) 7.700 19.892 ( -7.468 8.000 0.936) 10.984 21.179 ( 14.685 -0.429 0.415) 14.697 21.523 ( -5.114 -2.779 -0.363) 5.832 21.906 ( -1.609 3.738 -0.146) 4.073 21.988 ( -0.301 -1.061 0.417) 1.179 22.032 ( 0.084 -0.344 -0.904) 0.971 22.195 ( -0.610 2.804 1.070) 3.063 22.994 ( 2.881 -4.060 -1.802) 5.294 23.038 ( -1.515 -0.006 0.922) 1.774 23.210 ( -3.160 -4.352 1.194) 5.509 23.311 ( -1.075 -6.476 -0.629) 6.595 ======================= Grid point 28 (21/86) ======================= q-point: (-0.30 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 4.771 5.657 -1.869) 7.632 1.593 ( 0.117 12.520 2.229) 12.718 1.713 ( -2.386 7.564 -2.915) 8.450 1.830 ( 0.804 5.805 0.583) 5.890 1.941 ( -2.646 -8.915 3.906) 10.086 2.084 ( 1.028 7.108 -0.007) 7.182 2.288 ( 0.441 3.136 1.274) 3.413 2.347 ( -3.201 -3.206 -2.304) 5.082 2.578 ( 0.344 -4.743 -0.933) 4.846 2.614 ( -1.342 4.808 -0.540) 5.021 2.795 ( -4.840 -0.762 1.889) 5.251 2.802 ( 1.113 12.013 -0.824) 12.092 3.002 ( 0.457 0.158 0.999) 1.110 3.036 ( -2.840 -0.318 -0.037) 2.858 3.124 ( 1.535 -3.397 -0.302) 3.740 3.148 ( -1.397 3.753 1.133) 4.162 3.166 ( 2.355 -0.830 -2.702) 3.679 3.344 ( 1.003 -6.044 -1.996) 6.444 3.419 ( -1.143 0.868 1.310) 1.943 3.535 ( 0.365 -0.475 1.634) 1.740 3.610 ( 3.696 -2.876 -1.357) 4.876 3.689 ( 1.345 0.958 -0.006) 1.651 3.717 ( 0.452 0.667 1.400) 1.616 3.755 ( -4.547 -3.230 -1.305) 5.729 3.984 ( -1.217 4.636 0.588) 4.829 4.062 ( 3.745 -1.165 -0.979) 4.042 4.181 ( -5.340 -6.204 4.222) 9.211 4.312 ( 7.055 -3.238 -6.286) 9.989 4.439 ( -9.882 -0.179 3.798) 10.588 4.483 ( -0.325 -7.154 -0.240) 7.166 4.690 ( 4.795 -5.493 -0.126) 7.292 4.901 ( -2.147 0.463 -0.542) 2.262 5.048 ( 4.764 -3.596 -2.393) 6.430 5.093 ( 3.690 3.435 -0.385) 5.056 5.155 ( 0.676 0.744 4.293) 4.409 5.246 ( -7.012 -5.051 -0.464) 8.654 5.474 ( 2.399 -1.094 -2.710) 3.781 5.503 ( -1.138 0.358 0.216) 1.213 5.521 ( -3.495 0.243 -0.080) 3.505 5.662 ( 10.088 2.803 3.322) 10.985 5.801 ( -2.039 1.322 -2.073) 3.194 6.017 ( -3.782 -1.288 1.829) 4.394 6.108 ( -3.705 -0.319 -2.665) 4.575 6.139 ( 2.156 7.249 1.873) 7.791 6.279 ( -3.531 3.792 -1.034) 5.283 6.348 ( -0.926 10.198 0.624) 10.259 6.653 ( 1.770 1.726 2.564) 3.561 6.731 ( -0.039 2.995 -4.145) 5.114 6.763 ( -3.897 -1.969 0.655) 4.415 6.994 ( -0.374 4.025 1.145) 4.202 7.399 ( 1.300 0.657 -0.412) 1.514 7.561 ( -0.530 -7.079 0.732) 7.136 7.681 ( -2.370 -4.179 -0.667) 4.850 7.764 ( -2.000 4.668 -0.856) 5.150 7.994 ( 0.074 7.564 2.431) 7.945 8.323 ( 1.454 -1.891 -4.709) 5.279 8.535 ( 0.600 -2.474 3.736) 4.521 8.618 ( 0.491 -2.296 0.157) 2.353 8.815 ( 3.022 -3.528 0.164) 4.648 8.836 ( 0.901 -3.854 -0.566) 3.998 9.375 ( 6.869 2.207 -0.634) 7.243 9.499 ( -3.355 2.729 -0.209) 4.330 9.897 ( 1.749 0.709 1.326) 2.307 10.079 ( -2.778 0.566 -1.027) 3.015 10.324 ( -1.140 1.952 0.463) 2.307 10.430 ( 0.234 3.039 -0.613) 3.110 10.631 ( -2.232 -7.824 0.502) 8.151 10.706 ( -0.960 -2.933 -0.208) 3.093 10.828 ( -1.270 2.528 0.386) 2.855 11.069 ( 1.438 0.860 0.980) 1.941 11.088 ( 3.440 9.190 -1.318) 9.901 11.191 ( 4.015 5.589 0.078) 6.882 11.482 ( 0.366 -1.329 0.544) 1.482 11.541 ( -2.579 -2.309 -0.697) 3.531 11.959 ( 1.230 4.078 0.039) 4.259 11.974 ( -0.412 2.923 0.052) 2.952 12.604 ( 0.040 2.195 0.084) 2.197 12.681 ( -1.041 2.572 -0.059) 2.775 12.847 ( 1.089 -5.381 -0.556) 5.518 13.044 ( -0.950 -4.666 0.567) 4.795 16.109 ( -1.743 0.401 -0.147) 1.794 16.218 ( -0.818 -2.221 0.109) 2.370 18.150 ( 5.752 -2.517 -0.322) 6.287 18.260 ( -5.851 -4.004 0.796) 7.134 18.542 ( 1.244 2.551 0.128) 2.841 18.589 ( -1.265 3.994 -1.346) 4.401 18.838 ( 1.646 -2.727 0.754) 3.273 19.203 ( -0.708 8.089 -0.082) 8.121 19.408 ( 7.520 0.426 0.775) 7.571 19.539 ( -5.615 0.901 -0.163) 5.690 19.573 ( 9.800 -1.242 -0.804) 9.911 19.771 ( -14.574 -4.129 0.246) 15.150 21.259 ( 13.476 4.044 0.033) 14.070 21.467 ( -9.472 3.340 0.008) 10.044 21.872 ( -0.335 -1.966 -0.165) 2.001 21.995 ( 0.019 0.378 0.860) 0.939 22.050 ( -0.293 -0.440 -1.003) 1.134 22.166 ( 0.060 -1.040 0.306) 1.086 22.975 ( -0.509 3.969 0.312) 4.014 23.099 ( 1.118 -3.703 -0.810) 3.952 23.260 ( -0.885 -2.070 0.657) 2.344 23.423 ( 0.552 -5.417 -0.170) 5.448 ======================= Grid point 29 (22/86) ======================= q-point: (-0.20 0.20 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.000 18.396 -0.000) 18.396 1.267 ( 0.000 5.666 -0.000) 5.666 1.501 ( 0.000 11.421 -0.000) 11.421 1.699 ( 0.000 7.848 -0.000) 7.848 1.965 ( 0.000 5.707 -0.000) 5.707 2.123 ( -0.000 -3.192 0.000) 3.192 2.203 ( -0.000 -0.570 0.000) 0.570 2.283 ( 0.000 12.783 -0.000) 12.783 2.462 ( 0.000 19.049 -0.000) 19.049 2.525 ( -0.000 -1.244 0.000) 1.244 2.665 ( -0.000 -4.014 0.000) 4.014 2.845 ( 0.000 4.290 -0.000) 4.290 2.946 ( 0.000 6.473 -0.000) 6.473 2.954 ( -0.000 -1.677 0.000) 1.677 3.158 ( -0.000 -2.976 0.000) 2.976 3.160 ( 0.000 0.711 -0.000) 0.711 3.303 ( -0.000 -9.911 0.000) 9.911 3.366 ( 0.000 3.274 -0.000) 3.274 3.498 ( -0.000 -2.172 0.000) 2.172 3.550 ( -0.000 -0.853 0.000) 0.853 3.587 ( -0.000 -0.309 0.000) 0.309 3.738 ( -0.000 -2.955 0.000) 2.955 3.747 ( -0.000 -2.898 0.000) 2.898 3.793 ( -0.000 -3.179 0.000) 3.179 3.910 ( 0.000 1.869 -0.000) 1.869 4.058 ( 0.000 0.726 -0.000) 0.726 4.273 ( -0.000 -4.101 0.000) 4.101 4.386 ( 0.000 0.645 -0.000) 0.645 4.389 ( -0.000 -2.423 0.000) 2.423 4.630 ( -0.000 -6.100 0.000) 6.100 4.828 ( -0.000 -4.063 0.000) 4.063 4.850 ( 0.000 3.118 -0.000) 3.118 5.017 ( 0.000 3.737 -0.000) 3.737 5.070 ( 0.000 6.234 -0.000) 6.234 5.138 ( -0.000 -2.615 0.000) 2.615 5.299 ( -0.000 -2.065 0.000) 2.065 5.479 ( -0.000 -0.281 0.000) 0.281 5.522 ( -0.000 -3.276 0.000) 3.276 5.539 ( -0.000 -1.607 0.000) 1.607 5.603 ( 0.000 6.240 -0.000) 6.240 5.770 ( 0.000 0.325 -0.000) 0.325 6.044 ( 0.000 2.970 -0.000) 2.970 6.059 ( -0.000 -2.882 0.000) 2.882 6.092 ( 0.000 1.331 -0.000) 1.331 6.198 ( 0.000 0.053 -0.000) 0.053 6.264 ( -0.000 -0.439 0.000) 0.439 6.595 ( 0.000 4.365 -0.000) 4.365 6.680 ( -0.000 -0.086 0.000) 0.086 6.837 ( -0.000 -4.975 0.000) 4.975 6.896 ( 0.000 5.340 -0.000) 5.340 7.392 ( 0.000 0.379 -0.000) 0.379 7.682 ( 0.000 2.216 -0.000) 2.216 7.715 ( -0.000 -8.024 0.000) 8.024 7.824 ( -0.000 -10.376 0.000) 10.376 7.892 ( 0.000 3.642 -0.000) 3.642 8.325 ( 0.000 1.353 -0.000) 1.353 8.601 ( -0.000 -3.106 0.000) 3.106 8.669 ( -0.000 -2.512 0.000) 2.512 8.884 ( -0.000 -2.512 0.000) 2.512 8.887 ( -0.000 -0.523 0.000) 0.523 9.353 ( 0.000 3.300 -0.000) 3.300 9.432 ( 0.000 2.508 -0.000) 2.508 9.885 ( 0.000 1.306 -0.000) 1.306 10.007 ( 0.000 5.048 -0.000) 5.048 10.313 ( -0.000 -1.871 0.000) 1.871 10.382 ( 0.000 1.352 -0.000) 1.352 10.739 ( -0.000 -1.319 0.000) 1.319 10.779 ( -0.000 -7.055 0.000) 7.055 10.801 ( -0.000 -0.314 0.000) 0.314 10.916 ( 0.000 8.301 -0.000) 8.301 11.104 ( -0.000 -2.936 0.000) 2.936 11.169 ( -0.000 -0.522 0.000) 0.522 11.520 ( -0.000 -2.675 0.000) 2.675 11.594 ( -0.000 -3.971 0.000) 3.971 11.882 ( 0.000 4.156 -0.000) 4.156 11.926 ( 0.000 2.077 -0.000) 2.077 12.538 ( 0.000 3.540 -0.000) 3.540 12.619 ( 0.000 3.180 -0.000) 3.180 12.985 ( -0.000 -7.928 0.000) 7.928 13.158 ( -0.000 -6.648 0.000) 6.648 16.099 ( -0.000 -0.087 0.000) 0.087 16.268 ( -0.000 -3.237 0.000) 3.237 18.227 ( -0.000 -1.582 0.000) 1.582 18.288 ( -0.000 -0.648 0.000) 0.648 18.451 ( 0.000 4.291 -0.000) 4.291 18.466 ( 0.000 8.899 -0.000) 8.899 18.989 ( -0.000 -10.998 0.000) 10.998 19.113 ( -0.000 -0.381 0.000) 0.381 19.431 ( 0.000 3.372 -0.000) 3.372 19.474 ( -0.000 -3.028 0.000) 3.028 19.735 ( -0.000 -5.438 0.000) 5.438 19.799 ( -0.000 -6.863 0.000) 6.863 21.246 ( 0.000 11.621 -0.000) 11.621 21.247 ( 0.000 6.023 -0.000) 6.023 21.962 ( -0.000 -5.791 0.000) 5.791 21.969 ( 0.000 1.595 -0.000) 1.595 22.012 ( 0.000 3.244 -0.000) 3.244 22.257 ( -0.000 -6.976 0.000) 6.976 22.877 ( 0.000 5.747 -0.000) 5.747 23.158 ( -0.000 -1.942 0.000) 1.942 23.275 ( 0.000 0.280 -0.000) 0.280 23.524 ( -0.000 -4.771 0.000) 4.771 ======================= Grid point 34 (23/86) ======================= q-point: ( 0.30 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.025 ( 21.348 -0.000 0.223) 21.349 1.222 ( 21.164 -0.000 -2.184) 21.277 1.426 ( 11.971 -0.000 -2.050) 12.145 1.577 ( 15.876 -0.000 1.888) 15.988 2.021 ( 3.991 -0.000 -0.902) 4.091 2.039 ( 15.106 -0.000 3.348) 15.473 2.198 ( 1.664 -0.000 3.549) 3.919 2.311 ( 6.498 -0.000 0.075) 6.498 2.383 ( 4.501 -0.000 2.587) 5.192 2.522 ( 5.694 -0.000 -7.611) 9.505 2.586 ( 1.340 -0.000 -3.501) 3.748 2.739 ( 7.889 -0.000 -8.753) 11.783 2.806 ( 0.835 -0.000 3.322) 3.426 2.890 ( -4.630 0.000 10.335) 11.324 3.042 ( 2.329 -0.000 5.454) 5.930 3.099 ( -2.311 0.000 -2.440) 3.361 3.295 ( -0.753 0.000 2.534) 2.643 3.358 ( 2.125 -0.000 -5.305) 5.715 3.436 ( 0.456 -0.000 2.778) 2.816 3.638 ( -1.079 0.000 0.101) 1.084 3.666 ( 1.023 -0.000 -5.698) 5.789 3.681 ( 3.163 -0.000 -2.343) 3.937 3.864 ( -7.267 0.000 7.583) 10.503 3.953 ( -3.348 0.000 -5.373) 6.331 3.989 ( -5.458 0.000 -0.946) 5.540 4.052 ( 3.653 -0.000 3.051) 4.759 4.269 ( -9.259 0.000 4.979) 10.513 4.376 ( -0.576 0.000 -7.236) 7.259 4.476 ( -8.032 0.000 1.185) 8.119 4.568 ( -1.922 0.000 0.784) 2.076 4.731 ( -5.612 0.000 2.974) 6.351 4.760 ( -6.780 0.000 -0.391) 6.792 5.006 ( -11.472 0.000 6.086) 12.987 5.020 ( -0.419 0.000 -1.681) 1.733 5.056 ( -2.718 0.000 -3.155) 4.164 5.060 ( 5.099 -0.000 -4.904) 7.074 5.134 ( -0.653 0.000 2.468) 2.553 5.266 ( -9.678 0.000 -0.560) 9.694 5.279 ( -9.239 0.000 -1.644) 9.384 5.729 ( -2.536 0.000 3.798) 4.567 5.765 ( 3.866 -0.000 0.250) 3.874 5.824 ( -2.945 0.000 -2.339) 3.761 6.087 ( 4.646 -0.000 -3.269) 5.681 6.121 ( -4.188 0.000 1.614) 4.488 6.586 ( 8.437 -0.000 -4.242) 9.444 6.669 ( 1.057 -0.000 5.869) 5.963 6.826 ( 8.975 -0.000 0.135) 8.976 6.887 ( 3.063 -0.000 1.462) 3.394 7.308 ( 11.017 -0.000 -8.198) 13.733 7.339 ( 2.903 -0.000 -3.396) 4.468 7.668 ( 0.323 -0.000 6.672) 6.680 7.724 ( -5.893 0.000 -9.150) 10.884 7.757 ( -5.783 0.000 5.639) 8.077 8.052 ( -8.217 0.000 9.723) 12.730 8.211 ( -1.038 0.000 1.953) 2.212 8.445 ( -2.603 0.000 -3.600) 4.443 8.488 ( 1.005 -0.000 0.726) 1.240 8.548 ( -6.392 0.000 -3.039) 7.078 9.041 ( 9.287 -0.000 -0.094) 9.288 9.180 ( 2.852 -0.000 2.994) 4.135 9.439 ( -8.988 0.000 -5.272) 10.420 9.595 ( 7.379 -0.000 -4.797) 8.801 9.903 ( -0.851 0.000 0.850) 1.203 9.927 ( -9.425 0.000 4.203) 10.319 10.115 ( -4.624 0.000 5.422) 7.126 10.395 ( 5.949 -0.000 -13.901) 15.120 10.584 ( -1.350 0.000 6.168) 6.314 10.692 ( 3.135 -0.000 -0.258) 3.145 11.001 ( 10.673 -0.000 -2.143) 10.886 11.195 ( 4.346 -0.000 5.665) 7.141 11.318 ( 8.708 -0.000 0.806) 8.745 11.414 ( -3.531 0.000 -5.287) 6.358 11.580 ( -0.124 0.000 3.026) 3.029 11.589 ( -4.401 0.000 -0.997) 4.512 12.345 ( -0.332 0.000 -0.072) 0.340 12.349 ( -3.687 0.000 0.239) 3.695 12.754 ( 15.073 -0.000 2.369) 15.258 12.974 ( 6.776 -0.000 -3.861) 7.799 13.246 ( -3.983 0.000 0.399) 4.003 13.287 ( -4.638 0.000 -0.278) 4.647 16.236 ( -8.812 0.000 -8.258) 12.077 16.417 ( -15.332 0.000 6.798) 16.771 18.039 ( 9.618 -0.000 0.858) 9.656 18.045 ( 7.519 -0.000 -0.770) 7.559 18.478 ( 8.108 -0.000 0.585) 8.129 18.634 ( 2.927 -0.000 -2.066) 3.583 19.015 ( -10.250 0.000 0.726) 10.276 19.078 ( -9.871 0.000 0.074) 9.871 19.842 ( -3.689 0.000 -1.263) 3.900 19.893 ( -3.132 0.000 2.771) 4.182 20.096 ( 2.437 -0.000 -6.111) 6.579 20.704 ( 10.400 -0.000 13.389) 16.954 21.002 ( 13.928 -0.000 2.090) 14.083 21.425 ( 12.523 -0.000 -30.942) 33.380 21.928 ( -6.163 0.000 11.210) 12.793 22.041 ( -0.897 0.000 4.294) 4.387 22.092 ( 6.257 -0.000 1.840) 6.522 22.419 ( -0.801 0.000 -1.279) 1.509 22.519 ( -0.360 0.000 -2.491) 2.517 22.692 ( -6.045 0.000 5.579) 8.226 22.822 ( -6.690 0.000 -2.403) 7.109 22.823 ( -3.101 0.000 0.185) 3.107 ======================= Grid point 35 (24/86) ======================= q-point: ( 0.40 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 13.136 -1.245 2.667) 13.462 1.412 ( 12.917 0.312 0.464) 12.929 1.458 ( 15.114 -0.289 -0.915) 15.145 1.768 ( 11.488 -4.986 -0.226) 12.525 2.013 ( 4.237 2.831 -7.298) 8.901 2.101 ( 4.272 0.942 0.996) 4.487 2.211 ( 0.806 -1.806 1.767) 2.652 2.361 ( -1.633 -3.038 1.416) 3.729 2.465 ( -2.755 -4.438 2.525) 5.802 2.589 ( 3.563 0.164 -1.774) 3.984 2.636 ( 12.944 -4.084 -4.053) 14.165 2.746 ( -0.761 0.639 4.091) 4.210 2.875 ( -0.271 -2.234 5.071) 5.547 2.930 ( 4.071 -5.369 -1.910) 7.004 3.072 ( -3.766 0.586 -1.199) 3.995 3.085 ( 4.229 -0.907 2.867) 5.189 3.300 ( -5.455 -2.044 1.195) 5.947 3.343 ( 5.436 3.224 -5.822) 8.594 3.465 ( 7.266 1.156 4.217) 8.480 3.590 ( 0.437 3.737 -3.491) 5.133 3.596 ( -2.792 3.201 -2.658) 5.011 3.768 ( -4.374 0.709 2.870) 5.279 3.800 ( -0.367 -2.337 4.006) 4.652 3.839 ( 1.891 3.855 -5.972) 7.356 3.936 ( -2.051 3.423 -0.160) 3.994 4.096 ( -3.041 3.015 0.605) 4.325 4.185 ( -3.114 -1.297 2.850) 4.416 4.346 ( -5.284 2.833 -1.710) 6.235 4.385 ( -1.330 3.694 -1.271) 4.126 4.525 ( -2.191 0.732 1.396) 2.699 4.677 ( -5.425 1.120 4.097) 6.890 4.768 ( -9.097 -3.767 -1.919) 10.031 4.896 ( -8.080 0.078 -1.071) 8.151 5.004 ( -4.494 0.845 2.437) 5.181 5.044 ( 0.467 3.385 -0.867) 3.526 5.086 ( -1.308 -4.058 -1.234) 4.438 5.185 ( -7.667 -0.375 -1.066) 7.750 5.197 ( 0.455 -7.468 -0.217) 7.485 5.307 ( -0.764 -6.252 -0.998) 6.377 5.654 ( -0.037 4.076 2.639) 4.856 5.825 ( -5.013 -3.287 0.085) 5.996 5.862 ( 1.362 -3.817 -1.631) 4.368 6.094 ( -0.851 -1.270 2.273) 2.739 6.160 ( 5.365 -2.206 -3.216) 6.632 6.637 ( 7.261 0.615 -4.210) 8.416 6.689 ( 2.591 0.572 4.270) 5.027 6.876 ( 6.290 1.242 0.513) 6.432 6.916 ( 0.394 -0.678 2.355) 2.482 7.266 ( 2.907 6.285 -3.271) 7.658 7.379 ( -0.376 0.767 -2.904) 3.027 7.615 ( -6.761 1.873 -4.057) 8.104 7.650 ( 1.618 5.091 2.420) 5.864 7.738 ( 0.182 -0.860 3.380) 3.493 8.021 ( -8.306 -0.831 4.173) 9.332 8.207 ( 0.658 0.939 0.653) 1.319 8.349 ( -0.153 4.682 -0.594) 4.723 8.469 ( -0.933 -1.780 0.307) 2.033 8.580 ( -3.533 -3.004 -1.927) 5.022 9.083 ( 2.260 8.792 1.262) 9.165 9.131 ( 3.860 2.695 -0.296) 4.717 9.240 ( -3.495 8.958 -3.849) 10.358 9.643 ( 1.495 -1.720 -1.659) 2.819 9.871 ( 0.799 -0.008 0.159) 0.815 9.910 ( -1.336 0.297 1.369) 1.936 10.132 ( -4.017 -3.271 5.860) 7.821 10.419 ( 5.826 -0.071 -10.015) 11.587 10.575 ( -2.023 0.691 5.600) 5.995 10.704 ( 1.800 1.596 -0.487) 2.454 11.087 ( 10.345 -1.365 0.021) 10.434 11.312 ( 4.465 -5.270 3.348) 7.675 11.350 ( -3.170 2.301 -4.251) 5.781 11.359 ( 7.836 2.644 0.422) 8.281 11.546 ( -3.394 0.585 -0.077) 3.445 11.604 ( -2.272 -2.079 0.587) 3.135 12.332 ( -2.223 -1.737 -0.168) 2.826 12.375 ( -1.388 -3.218 0.062) 3.505 12.710 ( 11.640 14.878 0.839) 18.909 12.873 ( 9.074 14.550 -0.707) 17.162 13.172 ( -6.088 2.156 -0.423) 6.472 13.249 ( -4.052 2.182 0.177) 4.606 16.144 ( -7.205 0.415 -3.286) 7.930 16.317 ( -12.378 0.110 2.877) 12.709 18.024 ( 8.316 4.826 -0.025) 9.615 18.152 ( 4.365 -1.866 0.048) 4.748 18.402 ( 12.492 4.019 -0.006) 13.122 18.874 ( -0.897 -5.567 -1.114) 5.748 18.985 ( -6.897 0.851 1.193) 7.051 19.017 ( -12.263 -12.052 0.139) 17.194 19.659 ( -4.036 11.927 -1.609) 12.694 19.818 ( -0.131 7.860 6.492) 10.195 20.037 ( 0.844 5.686 -9.226) 10.871 20.726 ( 7.598 8.850 9.460) 15.018 21.109 ( 13.006 2.351 0.428) 13.224 21.349 ( 9.912 4.100 -13.621) 17.337 21.849 ( 0.080 0.311 6.027) 6.035 22.031 ( 1.882 0.258 -0.474) 1.958 22.219 ( -4.125 2.787 2.080) 5.395 22.410 ( 0.703 -0.120 -1.448) 1.615 22.604 ( -0.753 -8.304 -2.310) 8.652 22.725 ( -5.572 -9.050 2.881) 11.011 22.844 ( -6.042 -6.583 0.230) 8.939 22.869 ( -3.084 -6.359 -0.541) 7.089 ======================= Grid point 36 (25/86) ======================= q-point: ( 0.50 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( 2.417 -3.641 3.878) 5.843 1.415 ( 5.097 0.324 3.382) 6.126 1.717 ( 19.264 -5.548 -1.073) 20.076 1.891 ( 0.410 -3.241 -0.520) 3.308 1.933 ( 9.697 6.969 -13.575) 18.080 2.147 ( 3.392 -0.953 -1.065) 3.681 2.278 ( -1.201 -3.555 4.863) 6.142 2.410 ( -7.700 -5.115 2.289) 9.524 2.490 ( -1.444 0.857 4.208) 4.531 2.625 ( 3.402 0.487 0.025) 3.437 2.667 ( -5.854 -0.086 1.827) 6.133 2.846 ( 7.986 -4.914 -1.925) 9.572 2.944 ( -4.536 -3.660 4.383) 7.293 2.993 ( -1.896 -1.547 -0.757) 2.561 3.101 ( 4.376 -4.214 -3.656) 7.091 3.151 ( 6.150 0.304 0.390) 6.170 3.275 ( -2.966 -0.330 -1.032) 3.158 3.354 ( 4.640 -2.584 -1.643) 5.559 3.463 ( -0.000 3.631 2.086) 4.187 3.533 ( 5.920 2.800 -3.363) 7.362 3.560 ( -0.594 -0.419 -2.578) 2.678 3.667 ( -6.221 3.192 4.640) 8.392 3.699 ( -2.780 4.140 1.147) 5.117 3.829 ( -3.242 2.656 -2.041) 4.662 3.962 ( 4.564 0.767 1.734) 4.942 4.025 ( 3.334 2.890 -1.548) 4.676 4.204 ( 4.156 1.289 0.496) 4.379 4.219 ( -8.686 0.905 0.964) 8.786 4.287 ( -1.234 4.040 -3.880) 5.736 4.502 ( -2.617 0.483 3.769) 4.613 4.606 ( -10.013 1.172 3.750) 10.757 4.771 ( -7.413 -4.334 -2.165) 8.856 4.869 ( -4.375 -3.072 -0.886) 5.419 4.952 ( 0.898 2.335 -0.773) 2.618 5.000 ( -3.086 -1.488 0.442) 3.454 5.174 ( -1.455 -3.875 -1.192) 4.307 5.216 ( 0.958 -6.124 -1.025) 6.283 5.346 ( -3.003 -8.311 0.085) 8.838 5.448 ( 6.047 -5.462 0.394) 8.158 5.608 ( 1.940 1.801 1.956) 3.291 5.837 ( -5.897 -2.290 -0.289) 6.333 5.903 ( -2.705 -1.858 -0.907) 3.404 6.163 ( 3.030 -2.595 0.391) 4.008 6.230 ( 3.492 -2.254 -0.812) 4.235 6.645 ( 2.846 1.984 -2.582) 4.325 6.713 ( 5.375 1.040 2.671) 6.091 6.862 ( 3.186 5.690 -0.716) 6.560 6.930 ( -0.750 -1.277 3.091) 3.427 7.110 ( -1.070 9.573 -2.265) 9.895 7.253 ( -4.163 9.007 -0.051) 9.923 7.513 ( -3.034 3.109 -2.515) 5.019 7.574 ( 2.870 5.097 2.548) 6.381 7.787 ( -0.257 -0.023 -0.214) 0.336 7.955 ( -6.104 -0.428 -0.311) 6.127 8.173 ( -1.502 0.587 1.539) 2.229 8.375 ( 4.280 -3.599 -0.049) 5.593 8.529 ( 1.948 -3.029 2.014) 4.126 8.579 ( -4.068 -1.287 -2.033) 4.727 8.818 ( -0.921 15.351 -0.150) 15.380 8.917 ( -2.528 13.994 0.293) 14.223 9.264 ( 5.674 -3.636 -2.827) 7.308 9.663 ( -1.641 -0.318 0.780) 1.844 9.886 ( -1.311 -0.038 0.817) 1.545 9.938 ( 7.200 -1.748 -2.225) 7.736 10.185 ( -4.546 -4.291 5.238) 8.156 10.444 ( 4.810 -0.204 -6.533) 8.115 10.557 ( -3.132 0.071 4.342) 5.354 10.659 ( 0.479 3.525 -0.549) 3.600 11.187 ( 5.632 0.655 0.196) 5.673 11.265 ( 1.542 3.348 -0.375) 3.705 11.355 ( 8.019 3.995 -2.071) 9.196 11.428 ( 2.578 -2.304 2.470) 4.249 11.498 ( -4.285 1.133 -0.634) 4.477 11.627 ( -2.745 -1.966 0.075) 3.377 12.379 ( -1.040 -4.206 -0.475) 4.359 12.435 ( 0.641 3.515 -0.352) 3.590 12.466 ( 7.239 10.379 0.790) 12.679 12.594 ( 6.133 18.818 0.236) 19.794 13.064 ( -5.177 4.466 -0.462) 6.853 13.154 ( -3.167 3.899 0.399) 5.039 16.102 ( -4.473 -1.281 -0.971) 4.753 16.232 ( -7.291 0.825 0.791) 7.380 18.018 ( 7.064 1.961 -0.075) 7.332 18.179 ( -1.859 -0.192 0.086) 1.871 18.486 ( 12.034 -0.054 0.194) 12.036 18.858 ( -3.273 2.440 -1.105) 4.229 18.918 ( -2.645 -0.019 0.611) 2.715 19.213 ( -10.165 -12.329 -0.082) 15.979 19.409 ( -2.930 8.306 -0.759) 8.840 19.669 ( 2.356 9.572 10.277) 14.241 19.866 ( -0.819 8.838 -11.737) 14.715 20.526 ( 4.991 17.460 3.241) 18.446 21.159 ( 13.942 1.725 -0.143) 14.049 21.395 ( 1.177 -2.684 -2.036) 3.568 21.892 ( 0.701 -2.676 0.149) 2.771 22.045 ( 0.451 0.765 3.517) 3.627 22.099 ( -2.852 4.023 -1.925) 5.294 22.344 ( -1.114 4.900 0.091) 5.026 22.769 ( 3.552 -7.781 -2.499) 8.911 22.906 ( -4.168 -10.610 1.019) 11.445 22.928 ( -6.425 -6.881 1.924) 9.609 22.995 ( -2.461 -8.824 -1.028) 9.218 ======================= Grid point 37 (26/86) ======================= q-point: ( 0.60 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 2.314 -5.925 -2.102) 6.699 1.515 ( 0.877 -6.110 4.402) 7.581 1.788 ( 4.630 4.951 -3.336) 7.555 1.916 ( 5.460 2.069 0.696) 5.880 1.965 ( 2.398 -1.078 -1.921) 3.256 2.196 ( 3.021 -3.678 -3.159) 5.713 2.313 ( -0.040 -0.189 3.368) 3.373 2.414 ( -10.924 -0.804 5.156) 12.107 2.448 ( -0.308 0.083 0.626) 0.703 2.570 ( -1.402 2.971 -0.499) 3.323 2.740 ( 4.951 -4.551 -2.992) 7.360 2.894 ( -6.588 0.466 2.289) 6.990 2.983 ( 8.736 -1.960 -1.385) 9.060 3.093 ( 2.557 -2.426 -2.233) 4.172 3.114 ( -6.650 -0.809 0.326) 6.707 3.133 ( -0.423 2.933 2.396) 3.811 3.306 ( 6.687 0.588 -4.837) 8.274 3.390 ( -4.474 -0.022 2.573) 5.162 3.487 ( 0.356 -1.031 -0.421) 1.169 3.516 ( 4.077 -0.407 -0.101) 4.098 3.551 ( 0.492 -2.368 1.870) 3.057 3.615 ( 0.994 4.346 -0.465) 4.482 3.656 ( -4.977 1.086 -1.285) 5.253 3.783 ( -1.436 -1.560 -0.160) 2.126 3.854 ( -0.551 1.138 1.568) 2.014 4.073 ( -2.446 4.310 -0.001) 4.955 4.095 ( 4.350 -3.257 0.215) 5.439 4.184 ( -3.592 3.140 -1.589) 5.029 4.330 ( 5.756 -2.662 -2.170) 6.703 4.485 ( -7.299 1.017 5.354) 9.109 4.520 ( -3.216 -1.712 -0.682) 3.707 4.815 ( -4.223 -5.282 1.186) 6.866 4.930 ( 4.803 -1.862 -7.969) 9.489 4.973 ( -2.239 -5.742 6.221) 8.757 5.031 ( -2.266 -3.639 -0.173) 4.291 5.221 ( 0.191 -0.559 -1.620) 1.724 5.323 ( -0.112 -4.613 0.223) 4.620 5.460 ( -1.937 -5.743 -0.788) 6.112 5.585 ( 4.086 -1.731 -0.893) 4.526 5.629 ( 6.882 -1.289 3.754) 7.945 5.817 ( -4.924 -0.356 -1.056) 5.049 5.924 ( -3.500 -3.773 -0.234) 5.152 6.156 ( 0.700 3.961 -0.470) 4.050 6.325 ( 1.167 -3.880 -0.158) 4.055 6.607 ( 2.245 3.851 -0.751) 4.521 6.670 ( -0.946 12.168 1.863) 12.346 6.745 ( 5.052 2.302 0.975) 5.637 6.899 ( -3.816 9.596 -2.934) 10.736 6.977 ( -1.046 -2.299 2.123) 3.300 7.026 ( -0.738 10.182 -1.052) 10.263 7.448 ( -0.196 1.966 1.698) 2.606 7.512 ( 2.889 4.001 -1.513) 5.161 7.696 ( -5.542 4.032 0.030) 6.853 7.955 ( -0.600 0.789 -0.605) 1.162 8.196 ( -0.311 -3.112 0.224) 3.135 8.425 ( 0.030 7.989 1.743) 8.177 8.537 ( 3.249 2.356 -1.328) 4.228 8.572 ( -2.718 2.080 1.665) 3.806 8.650 ( 1.293 -4.276 -2.176) 4.969 8.695 ( -0.843 4.344 0.919) 4.519 9.368 ( 4.409 -3.038 -1.291) 5.507 9.627 ( -1.481 2.737 0.342) 3.131 9.885 ( -0.718 -0.633 0.929) 1.334 10.022 ( 4.040 -1.961 -2.007) 4.919 10.255 ( -3.181 -5.554 3.081) 7.103 10.472 ( 2.981 -0.236 -2.944) 4.197 10.543 ( -1.463 0.920 1.399) 2.223 10.597 ( -1.830 0.795 0.205) 2.006 11.082 ( -0.329 8.242 -0.416) 8.259 11.273 ( 5.121 4.738 2.143) 7.298 11.319 ( 6.004 4.804 -2.778) 8.176 11.435 ( -2.869 0.328 -0.211) 2.896 11.463 ( 0.702 0.590 1.495) 1.754 11.605 ( -2.170 3.256 -0.371) 3.930 12.204 ( 4.821 12.310 -0.028) 13.221 12.250 ( -0.085 14.353 0.008) 14.353 12.478 ( 0.058 -5.403 -0.462) 5.423 12.573 ( 0.918 -5.711 0.511) 5.807 12.932 ( -2.250 5.538 -0.406) 5.991 13.058 ( -2.002 3.924 0.415) 4.425 16.107 ( -1.811 -1.516 -0.599) 2.437 16.178 ( -2.913 0.515 0.510) 3.002 18.059 ( 5.802 -0.838 -0.138) 5.864 18.155 ( -5.165 -0.874 0.196) 5.242 18.543 ( 4.558 0.941 0.575) 4.690 18.763 ( -1.254 5.361 -0.805) 5.564 18.903 ( 0.675 1.522 -0.841) 1.866 19.307 ( 2.143 -4.469 -0.135) 4.958 19.382 ( -6.153 -6.783 0.699) 9.184 19.539 ( 1.410 8.393 8.869) 12.292 19.663 ( -2.495 7.595 -9.386) 12.329 20.192 ( 1.566 19.663 0.855) 19.744 21.266 ( 12.376 -1.403 0.599) 12.469 21.420 ( -6.097 -2.459 -0.766) 6.619 21.948 ( 0.364 -2.587 -0.827) 2.740 21.976 ( -1.316 4.403 0.655) 4.642 22.054 ( -0.101 1.610 0.639) 1.735 22.251 ( -0.562 3.606 0.036) 3.649 22.922 ( 3.442 -5.155 -1.535) 6.385 22.999 ( -1.846 -3.644 0.795) 4.162 23.059 ( -3.850 -8.554 1.018) 9.435 23.152 ( -1.032 -8.731 -0.524) 8.807 ======================= Grid point 38 (27/86) ======================= q-point: ( 0.70 0.30 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( 0.000 3.113 -0.000) 3.113 1.653 ( -0.000 -6.121 0.000) 6.121 1.756 ( -0.000 -0.305 0.000) 0.305 1.882 ( 0.000 2.570 -0.000) 2.570 1.921 ( 0.000 4.355 -0.000) 4.355 2.228 ( 0.000 1.001 -0.000) 1.001 2.274 ( 0.000 5.369 -0.000) 5.369 2.425 ( 0.000 4.900 -0.000) 4.900 2.479 ( -0.000 -3.224 0.000) 3.224 2.513 ( -0.000 -7.651 0.000) 7.651 2.871 ( -0.000 -2.138 0.000) 2.138 2.874 ( -0.000 -0.888 0.000) 0.888 2.953 ( 0.000 3.192 -0.000) 3.192 3.061 ( 0.000 0.236 -0.000) 0.236 3.096 ( 0.000 0.278 -0.000) 0.278 3.218 ( -0.000 -6.164 0.000) 6.164 3.269 ( 0.000 5.699 -0.000) 5.699 3.291 ( 0.000 12.241 -0.000) 12.241 3.431 ( 0.000 1.744 -0.000) 1.744 3.532 ( -0.000 -4.433 0.000) 4.433 3.556 ( 0.000 2.450 -0.000) 2.450 3.618 ( -0.000 -4.088 0.000) 4.088 3.671 ( -0.000 -4.471 0.000) 4.471 3.816 ( 0.000 2.170 -0.000) 2.170 3.989 ( -0.000 -8.965 0.000) 8.965 4.031 ( -0.000 -2.902 0.000) 2.902 4.061 ( 0.000 3.660 -0.000) 3.660 4.244 ( -0.000 -6.379 0.000) 6.379 4.380 ( -0.000 -0.888 0.000) 0.888 4.427 ( 0.000 0.469 -0.000) 0.469 4.591 ( -0.000 -5.388 0.000) 5.388 4.877 ( -0.000 -2.268 0.000) 2.268 4.991 ( -0.000 -3.325 0.000) 3.325 5.100 ( -0.000 -6.050 0.000) 6.050 5.110 ( -0.000 -5.318 0.000) 5.318 5.184 ( 0.000 3.251 -0.000) 3.251 5.410 ( -0.000 -4.390 0.000) 4.390 5.515 ( -0.000 -0.584 0.000) 0.584 5.566 ( 0.000 3.472 -0.000) 3.472 5.736 ( -0.000 -2.504 0.000) 2.504 5.777 ( 0.000 0.724 -0.000) 0.724 6.004 ( -0.000 -5.535 0.000) 5.535 6.060 ( 0.000 5.076 -0.000) 5.076 6.341 ( 0.000 2.556 -0.000) 2.556 6.364 ( 0.000 14.469 -0.000) 14.469 6.613 ( 0.000 15.081 -0.000) 15.081 6.632 ( -0.000 -2.765 0.000) 2.765 6.754 ( 0.000 1.532 -0.000) 1.532 6.839 ( 0.000 7.615 -0.000) 7.615 7.029 ( -0.000 -0.773 0.000) 0.773 7.449 ( 0.000 3.195 -0.000) 3.195 7.457 ( -0.000 -2.670 0.000) 2.670 7.622 ( 0.000 0.260 -0.000) 0.260 7.874 ( 0.000 6.287 -0.000) 6.287 8.185 ( 0.000 12.075 -0.000) 12.075 8.267 ( -0.000 -3.791 0.000) 3.791 8.517 ( 0.000 0.534 -0.000) 0.534 8.575 ( -0.000 -2.010 0.000) 2.010 8.739 ( -0.000 -5.578 0.000) 5.578 8.752 ( -0.000 -4.628 0.000) 4.628 9.426 ( -0.000 -0.600 0.000) 0.600 9.549 ( 0.000 4.082 -0.000) 4.082 9.900 ( -0.000 -0.808 0.000) 0.808 10.060 ( -0.000 -1.058 0.000) 1.058 10.344 ( -0.000 -2.397 0.000) 2.397 10.473 ( 0.000 1.094 -0.000) 1.094 10.510 ( -0.000 -1.230 0.000) 1.230 10.632 ( -0.000 -3.764 0.000) 3.764 10.923 ( 0.000 7.253 -0.000) 7.253 11.155 ( 0.000 7.033 -0.000) 7.033 11.242 ( 0.000 5.784 -0.000) 5.784 11.381 ( 0.000 8.661 -0.000) 8.661 11.470 ( -0.000 -0.345 0.000) 0.345 11.500 ( 0.000 1.181 -0.000) 1.181 12.046 ( 0.000 5.927 -0.000) 5.927 12.064 ( 0.000 6.065 -0.000) 6.065 12.582 ( -0.000 -4.553 0.000) 4.553 12.673 ( -0.000 -3.159 0.000) 3.159 12.833 ( 0.000 3.208 -0.000) 3.208 12.995 ( 0.000 0.808 -0.000) 0.808 16.111 ( 0.000 0.279 -0.000) 0.279 16.178 ( -0.000 -1.458 0.000) 1.458 18.128 ( -0.000 -2.617 0.000) 2.617 18.158 ( -0.000 -2.911 0.000) 2.911 18.556 ( -0.000 -0.723 0.000) 0.723 18.653 ( 0.000 4.567 -0.000) 4.567 18.861 ( 0.000 2.809 -0.000) 2.809 19.380 ( 0.000 8.897 -0.000) 8.897 19.447 ( -0.000 -5.132 0.000) 5.132 19.486 ( -0.000 -2.614 0.000) 2.614 19.531 ( -0.000 -0.993 0.000) 0.993 19.843 ( 0.000 15.740 -0.000) 15.740 21.371 ( 0.000 0.122 -0.000) 0.122 21.412 ( -0.000 -2.526 0.000) 2.526 21.891 ( 0.000 3.530 -0.000) 3.530 21.987 ( -0.000 -1.304 0.000) 1.304 22.030 ( 0.000 0.118 -0.000) 0.118 22.193 ( 0.000 2.498 -0.000) 2.498 23.021 ( 0.000 0.725 -0.000) 0.725 23.023 ( -0.000 -4.428 0.000) 4.428 23.184 ( -0.000 -5.466 0.000) 5.466 23.302 ( -0.000 -7.211 0.000) 7.211 ======================= Grid point 46 (28/86) ======================= q-point: ( 0.40 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 14.930 -0.000 -1.566) 15.011 1.489 ( 13.693 -0.000 -6.318) 15.080 1.581 ( 6.290 -0.000 3.829) 7.364 1.788 ( 6.929 -0.000 5.460) 8.821 2.026 ( -1.747 0.000 -0.516) 1.821 2.113 ( -2.316 0.000 3.889) 4.526 2.217 ( 2.429 -0.000 -4.132) 4.793 2.310 ( 1.122 -0.000 -3.723) 3.889 2.397 ( -2.788 0.000 2.484) 3.735 2.578 ( -4.764 0.000 -2.121) 5.215 2.719 ( 17.331 -0.000 -4.803) 17.984 2.804 ( -6.618 0.000 7.663) 10.126 2.867 ( 5.147 -0.000 0.756) 5.202 2.875 ( 5.808 -0.000 2.601) 6.364 3.032 ( -3.027 0.000 -4.289) 5.250 3.136 ( 5.567 -0.000 2.340) 6.039 3.230 ( -8.822 0.000 3.595) 9.526 3.419 ( 7.391 -0.000 -7.998) 10.890 3.526 ( 4.042 -0.000 1.682) 4.378 3.643 ( -11.463 0.000 4.599) 12.351 3.644 ( -0.783 0.000 -3.529) 3.615 3.730 ( 10.437 -0.000 4.058) 11.198 3.782 ( 11.513 -0.000 -5.702) 12.848 3.833 ( -8.208 0.000 -2.226) 8.504 4.005 ( 1.234 -0.000 -0.658) 1.398 4.116 ( -2.021 0.000 1.351) 2.431 4.150 ( -4.649 0.000 7.166) 8.541 4.321 ( -5.578 0.000 -1.918) 5.899 4.401 ( 0.073 -0.000 -3.711) 3.712 4.551 ( -0.082 0.000 -0.788) 0.793 4.617 ( -10.011 0.000 -0.415) 10.020 4.691 ( -1.388 0.000 2.377) 2.752 4.852 ( -10.326 0.000 5.722) 11.805 4.953 ( -5.948 0.000 -3.112) 6.713 4.997 ( -2.527 0.000 -2.310) 3.423 5.059 ( -1.775 0.000 1.953) 2.639 5.086 ( -6.496 0.000 1.105) 6.589 5.171 ( -1.141 0.000 -0.283) 1.175 5.270 ( 6.904 -0.000 -3.697) 7.832 5.690 ( -5.316 0.000 7.557) 9.239 5.757 ( -2.390 0.000 -5.000) 5.542 5.835 ( 4.798 -0.000 -1.710) 5.093 6.062 ( -4.197 0.000 2.729) 5.006 6.178 ( 7.040 -0.000 -3.159) 7.716 6.692 ( 6.835 -0.000 -3.981) 7.909 6.729 ( 3.626 -0.000 3.135) 4.793 6.904 ( -1.626 0.000 2.605) 3.071 6.939 ( 4.714 -0.000 0.348) 4.727 7.330 ( -2.409 0.000 -0.544) 2.470 7.385 ( 2.800 -0.000 -4.030) 4.907 7.551 ( -7.085 0.000 -4.991) 8.666 7.733 ( 1.692 -0.000 1.817) 2.482 7.737 ( 0.507 -0.000 4.310) 4.340 7.963 ( -6.601 0.000 4.440) 7.955 8.238 ( 2.816 -0.000 2.492) 3.761 8.402 ( -0.262 0.000 -2.339) 2.353 8.427 ( -6.649 0.000 -3.049) 7.314 8.521 ( 1.652 -0.000 0.261) 1.673 9.151 ( 4.891 -0.000 -0.968) 4.986 9.217 ( 0.519 -0.000 1.127) 1.241 9.300 ( -5.740 0.000 -2.440) 6.237 9.597 ( -3.833 0.000 0.770) 3.910 9.891 ( -0.937 0.000 1.090) 1.438 9.915 ( 5.927 -0.000 -2.904) 6.600 10.078 ( -4.091 0.000 5.976) 7.242 10.454 ( 7.528 -0.000 -10.173) 12.656 10.575 ( -3.562 0.000 6.911) 7.775 10.733 ( 2.051 -0.000 -0.115) 2.055 11.178 ( 11.626 -0.000 -0.226) 11.628 11.275 ( 2.418 -0.000 -0.202) 2.426 11.344 ( -1.630 0.000 -0.185) 1.641 11.434 ( 3.748 -0.000 1.448) 4.018 11.506 ( -4.406 0.000 -2.108) 4.885 11.585 ( -0.657 0.000 1.048) 1.237 12.292 ( -3.152 0.000 0.058) 3.153 12.331 ( -0.900 0.000 -0.171) 0.916 12.955 ( 8.163 -0.000 2.094) 8.427 13.053 ( 5.082 -0.000 -2.759) 5.783 13.196 ( -2.327 0.000 0.303) 2.347 13.211 ( -4.667 0.000 0.264) 4.674 16.085 ( -6.332 0.000 -2.720) 6.891 16.227 ( -9.938 0.000 2.567) 10.264 18.152 ( 5.450 -0.000 -0.014) 5.450 18.169 ( 5.868 -0.000 -0.019) 5.868 18.598 ( 6.339 -0.000 0.950) 6.410 18.666 ( 1.860 -0.000 -1.186) 2.206 18.886 ( -6.017 0.000 0.331) 6.026 18.934 ( -7.900 0.000 0.071) 7.900 19.782 ( -2.777 0.000 -0.957) 2.937 19.884 ( -0.377 0.000 4.820) 4.834 20.076 ( -0.686 0.000 -6.828) 6.862 20.902 ( 6.648 -0.000 11.019) 12.869 21.168 ( 6.213 -0.000 0.776) 6.261 21.462 ( 6.844 -0.000 -20.486) 21.599 21.885 ( -4.579 0.000 8.420) 9.584 22.044 ( -0.173 0.000 0.658) 0.680 22.226 ( 8.572 -0.000 2.906) 9.051 22.407 ( 0.342 -0.000 -1.751) 1.784 22.501 ( -0.523 0.000 -1.512) 1.600 22.592 ( -9.243 0.000 2.745) 9.642 22.742 ( -2.163 0.000 -1.013) 2.389 22.783 ( -1.783 0.000 0.123) 1.787 ======================= Grid point 47 (29/86) ======================= q-point: ( 0.50 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.335 ( 3.992 3.886 0.806) 5.629 1.528 ( 3.059 6.615 1.716) 7.488 1.682 ( 9.296 -9.067 -4.900) 13.879 1.888 ( 6.006 -1.202 4.521) 7.613 2.018 ( -3.595 -1.166 -1.736) 4.159 2.137 ( -0.482 -3.065 0.007) 3.103 2.217 ( 0.376 0.835 -1.807) 2.026 2.335 ( 4.344 -0.714 -0.053) 4.402 2.435 ( 0.140 -4.420 -1.024) 4.540 2.547 ( -7.922 -3.113 -0.030) 8.512 2.722 ( -2.904 3.900 5.303) 7.195 2.853 ( 9.706 -1.990 -0.882) 9.948 2.898 ( 1.323 -0.204 2.018) 2.421 2.955 ( 0.585 -1.555 -0.418) 1.714 3.047 ( 4.019 -3.071 -5.513) 7.482 3.163 ( -11.474 -1.511 4.322) 12.354 3.182 ( 3.726 -0.892 0.201) 3.837 3.424 ( 6.947 2.651 -3.357) 8.159 3.529 ( -2.190 1.680 2.422) 3.672 3.545 ( -0.745 1.321 -2.145) 2.627 3.617 ( -5.032 1.643 0.000) 5.293 3.747 ( 10.511 4.017 0.825) 11.283 3.752 ( -2.380 3.674 -0.680) 4.430 3.898 ( -3.157 7.548 -1.125) 8.259 4.017 ( 11.856 -7.587 -1.940) 14.209 4.042 ( -2.108 2.430 3.187) 4.528 4.157 ( -2.970 1.518 2.264) 4.031 4.267 ( -3.311 0.407 -1.376) 3.609 4.359 ( -2.170 2.802 -2.134) 4.137 4.516 ( 0.162 1.168 0.292) 1.215 4.608 ( -5.336 5.822 1.676) 8.074 4.619 ( -5.382 -3.825 0.696) 6.639 4.778 ( -4.446 -1.298 0.193) 4.636 4.973 ( -0.435 -1.626 1.444) 2.218 5.021 ( -2.772 1.061 -0.480) 3.007 5.075 ( 0.330 -8.336 -3.723) 9.136 5.086 ( -2.613 1.318 0.850) 3.048 5.159 ( -2.320 -6.804 1.642) 7.374 5.390 ( 6.042 -5.738 -2.077) 8.588 5.666 ( -0.415 1.078 6.246) 6.352 5.730 ( -4.439 -1.145 -4.488) 6.416 5.876 ( 0.806 -0.706 -0.841) 1.362 6.083 ( -0.954 -4.535 1.522) 4.878 6.240 ( 3.990 -1.358 -1.603) 4.509 6.704 ( 2.669 2.259 -1.589) 3.841 6.766 ( 4.300 -0.069 0.494) 4.329 6.898 ( -2.241 -0.649 2.298) 3.275 6.954 ( 2.067 1.769 0.113) 2.723 7.261 ( -1.194 5.499 -0.279) 5.634 7.349 ( -1.276 4.230 -1.012) 4.533 7.500 ( -3.381 -0.073 -2.705) 4.331 7.699 ( 1.173 4.148 1.858) 4.694 7.787 ( 4.581 -2.232 0.960) 5.186 7.902 ( -7.229 1.681 0.683) 7.453 8.228 ( 0.850 4.590 1.070) 4.789 8.340 ( -0.541 -1.348 0.176) 1.463 8.464 ( -0.115 -3.952 -1.553) 4.247 8.545 ( -0.363 -0.655 -0.036) 0.749 9.089 ( -0.776 12.120 0.435) 12.153 9.143 ( -1.052 9.769 -0.088) 9.826 9.220 ( 1.451 -2.636 -1.758) 3.485 9.611 ( -2.287 -2.841 0.774) 3.728 9.886 ( -0.258 0.283 0.555) 0.674 9.968 ( 6.472 -0.890 -3.315) 7.326 10.088 ( -4.400 -2.926 4.693) 7.067 10.482 ( 6.599 0.674 -7.937) 10.344 10.546 ( -4.877 0.968 6.627) 8.284 10.726 ( 0.923 2.253 -0.212) 2.444 11.241 ( 6.240 0.593 -0.717) 6.309 11.300 ( 1.154 -0.182 0.620) 1.323 11.378 ( -0.185 -2.922 -0.401) 2.955 11.438 ( 0.328 0.074 0.214) 0.398 11.504 ( 1.626 -0.609 -0.063) 1.737 11.565 ( -3.117 0.271 0.115) 3.131 12.299 ( -1.353 -2.748 -0.080) 3.064 12.357 ( -0.679 -3.209 -0.000) 3.280 12.851 ( 5.487 14.414 -0.139) 15.424 12.978 ( 3.017 14.711 0.737) 15.035 13.093 ( -2.474 2.124 -0.825) 3.364 13.192 ( -2.711 1.888 0.291) 3.316 16.047 ( -3.178 -0.773 -0.806) 3.368 16.181 ( -4.944 -0.780 0.750) 5.062 18.136 ( 5.273 4.011 -0.069) 6.626 18.186 ( -0.368 1.641 0.040) 1.682 18.600 ( 12.104 1.066 0.287) 12.154 18.803 ( -12.186 -3.835 -0.274) 12.778 18.845 ( -1.334 -3.469 -0.655) 3.774 18.949 ( -1.164 -6.998 0.791) 7.138 19.607 ( -1.578 12.415 -0.612) 12.530 19.861 ( 0.995 5.296 6.649) 8.558 19.989 ( -1.096 6.480 -7.620) 10.062 20.844 ( 2.887 10.977 3.945) 12.017 21.243 ( 3.841 -1.844 0.247) 4.268 21.421 ( 4.265 3.313 -5.890) 7.991 21.867 ( -0.326 -0.354 2.714) 2.756 22.049 ( 0.615 -0.695 -0.139) 0.938 22.183 ( -1.303 7.454 0.851) 7.615 22.427 ( 1.854 2.707 -1.625) 3.661 22.566 ( -2.522 -10.758 0.603) 11.066 22.688 ( -0.891 -10.860 1.068) 10.949 22.769 ( -2.622 -5.202 -0.616) 5.858 22.837 ( -0.958 -5.488 0.024) 5.571 ======================= Grid point 48 (30/86) ======================= q-point: ( 0.60 0.40 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.325 ( -0.000 -2.195 0.000) 2.195 1.466 ( 0.000 0.409 -0.000) 0.409 1.855 ( -0.000 -1.804 0.000) 1.804 1.931 ( -0.000 -2.458 0.000) 2.458 2.006 ( 0.000 2.215 -0.000) 2.215 2.167 ( -0.000 -0.799 0.000) 0.799 2.212 ( -0.000 -3.163 0.000) 3.163 2.381 ( -0.000 -0.563 0.000) 0.563 2.531 ( -0.000 -3.900 0.000) 3.900 2.543 ( 0.000 3.101 -0.000) 3.101 2.672 ( -0.000 -2.476 0.000) 2.476 2.887 ( 0.000 0.856 -0.000) 0.856 2.935 ( -0.000 -4.444 0.000) 4.444 3.010 ( -0.000 -2.210 0.000) 2.210 3.101 ( -0.000 -2.317 0.000) 2.317 3.162 ( -0.000 -0.940 0.000) 0.940 3.268 ( -0.000 -5.533 0.000) 5.533 3.439 ( -0.000 -1.671 0.000) 1.671 3.459 ( 0.000 5.855 -0.000) 5.855 3.516 ( 0.000 1.984 -0.000) 1.984 3.591 ( -0.000 -4.045 0.000) 4.045 3.653 ( 0.000 8.487 -0.000) 8.487 3.664 ( 0.000 3.575 -0.000) 3.575 3.786 ( 0.000 2.646 -0.000) 2.646 4.009 ( 0.000 9.837 -0.000) 9.837 4.048 ( -0.000 -1.768 0.000) 1.768 4.152 ( -0.000 -2.093 0.000) 2.093 4.193 ( 0.000 5.358 -0.000) 5.358 4.407 ( -0.000 -4.381 0.000) 4.381 4.435 ( 0.000 6.666 -0.000) 6.666 4.497 ( 0.000 0.507 -0.000) 0.507 4.681 ( -0.000 -5.384 0.000) 5.384 4.840 ( -0.000 -5.760 0.000) 5.760 4.958 ( 0.000 2.498 -0.000) 2.498 4.975 ( -0.000 -0.870 0.000) 0.870 5.147 ( -0.000 -6.013 0.000) 6.013 5.253 ( -0.000 -3.906 0.000) 3.906 5.285 ( -0.000 -10.703 0.000) 10.703 5.532 ( -0.000 -5.611 0.000) 5.611 5.662 ( 0.000 1.031 -0.000) 1.031 5.735 ( -0.000 -3.310 0.000) 3.310 5.881 ( -0.000 -0.312 0.000) 0.312 6.189 ( -0.000 -4.057 0.000) 4.057 6.261 ( -0.000 -0.435 0.000) 0.435 6.660 ( 0.000 2.682 -0.000) 2.682 6.786 ( 0.000 0.331 -0.000) 0.331 6.884 ( 0.000 6.990 -0.000) 6.990 6.917 ( -0.000 -2.118 0.000) 2.118 7.091 ( 0.000 10.996 -0.000) 10.996 7.213 ( 0.000 8.696 -0.000) 8.696 7.479 ( 0.000 1.107 -0.000) 1.107 7.620 ( 0.000 5.005 -0.000) 5.005 7.767 ( 0.000 5.360 -0.000) 5.360 7.909 ( -0.000 -4.441 0.000) 4.441 8.165 ( 0.000 0.802 -0.000) 0.802 8.410 ( -0.000 -4.428 0.000) 4.428 8.534 ( -0.000 -1.411 0.000) 1.411 8.557 ( -0.000 -3.366 0.000) 3.366 8.806 ( 0.000 15.616 -0.000) 15.616 8.899 ( 0.000 13.587 -0.000) 13.587 9.304 ( -0.000 -4.573 0.000) 4.573 9.643 ( -0.000 -0.763 0.000) 0.763 9.877 ( 0.000 0.239 -0.000) 0.239 10.016 ( -0.000 -1.137 0.000) 1.137 10.144 ( -0.000 -4.478 0.000) 4.478 10.495 ( 0.000 1.173 -0.000) 1.173 10.514 ( -0.000 -0.844 0.000) 0.844 10.663 ( 0.000 4.243 -0.000) 4.243 11.209 ( 0.000 4.580 -0.000) 4.580 11.355 ( -0.000 -1.685 0.000) 1.685 11.375 ( 0.000 1.032 -0.000) 1.032 11.431 ( 0.000 1.724 -0.000) 1.724 11.489 ( 0.000 2.091 -0.000) 2.091 11.593 ( -0.000 -3.054 0.000) 3.054 12.365 ( -0.000 -3.987 0.000) 3.987 12.431 ( -0.000 -3.424 0.000) 3.424 12.544 ( 0.000 17.654 -0.000) 17.654 12.642 ( 0.000 18.523 -0.000) 18.523 13.017 ( 0.000 4.381 -0.000) 4.381 13.128 ( 0.000 3.636 -0.000) 3.636 16.061 ( -0.000 -1.927 0.000) 1.927 16.172 ( -0.000 -0.059 0.000) 0.059 18.112 ( 0.000 2.056 -0.000) 2.056 18.128 ( 0.000 1.620 -0.000) 1.620 18.616 ( 0.000 3.586 -0.000) 3.586 18.802 ( -0.000 -1.706 0.000) 1.706 18.901 ( -0.000 -1.735 0.000) 1.735 19.124 ( -0.000 -10.774 0.000) 10.774 19.383 ( 0.000 7.801 -0.000) 7.801 19.734 ( 0.000 8.953 -0.000) 8.953 19.809 ( 0.000 9.332 -0.000) 9.332 20.575 ( 0.000 17.983 -0.000) 17.983 21.297 ( -0.000 -2.048 0.000) 2.048 21.378 ( 0.000 1.997 -0.000) 1.997 21.898 ( -0.000 -2.390 0.000) 2.390 22.057 ( 0.000 4.786 -0.000) 4.786 22.067 ( -0.000 -0.373 0.000) 0.373 22.337 ( 0.000 5.405 -0.000) 5.405 22.807 ( -0.000 -12.981 0.000) 12.981 22.851 ( -0.000 -4.660 0.000) 4.660 22.890 ( -0.000 -8.677 0.000) 8.677 22.972 ( -0.000 -8.835 0.000) 8.835 ======================= Grid point 59 (31/86) ======================= 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( 0.000 -0.000 0.000) 0.000 1.575 ( -0.000 0.000 0.000) 0.000 1.653 ( 0.000 -0.000 -0.000) 0.000 1.854 ( -0.000 0.000 0.000) 0.000 1.999 ( 0.000 -0.000 0.000) 0.000 2.075 ( 0.000 -0.000 0.000) 0.000 2.250 ( 0.000 -0.000 -0.000) 0.000 2.360 ( -0.000 0.000 0.000) 0.000 2.412 ( 0.000 -0.000 0.000) 0.000 2.444 ( -0.000 0.000 0.000) 0.000 2.747 ( 0.000 -0.000 0.000) 0.000 2.887 ( 0.000 -0.000 0.000) 0.000 2.905 ( -0.000 0.000 0.000) 0.000 2.948 ( 0.000 -0.000 0.000) 0.000 3.035 ( -0.000 0.000 0.000) 0.000 3.102 ( 0.000 -0.000 -0.000) 0.000 3.190 ( 0.000 -0.000 -0.000) 0.000 3.482 ( 0.000 -0.000 -0.000) 0.000 3.534 ( 0.000 -0.000 0.000) 0.000 3.550 ( 0.000 -0.000 -0.000) 0.000 3.622 ( 0.000 -0.000 0.000) 0.000 3.728 ( -0.000 0.000 0.000) 0.000 3.949 ( -0.000 0.000 0.000) 0.000 3.972 ( -0.000 0.000 0.000) 0.000 3.991 ( 0.000 -0.000 -0.000) 0.000 3.993 ( 0.000 -0.000 -0.000) 0.000 4.177 ( 0.000 -0.000 0.000) 0.000 4.196 ( 0.000 -0.000 0.000) 0.000 4.396 ( 0.000 -0.000 0.000) 0.000 4.526 ( 0.000 -0.000 0.000) 0.000 4.551 ( 0.000 -0.000 -0.000) 0.000 4.690 ( -0.000 0.000 0.000) 0.000 4.772 ( 0.000 -0.000 0.000) 0.000 4.889 ( 0.000 -0.000 0.000) 0.000 4.971 ( -0.000 0.000 0.000) 0.000 5.024 ( 0.000 -0.000 0.000) 0.000 5.052 ( 0.000 -0.000 0.000) 0.000 5.166 ( 0.000 -0.000 0.000) 0.000 5.333 ( 0.000 -0.000 0.000) 0.000 5.654 ( 0.000 -0.000 0.000) 0.000 5.725 ( 0.000 -0.000 -0.000) 0.000 5.877 ( 0.000 -0.000 0.000) 0.000 6.028 ( 0.000 -0.000 0.000) 0.000 6.235 ( 0.000 -0.000 0.000) 0.000 6.747 ( 0.000 -0.000 0.000) 0.000 6.776 ( 0.000 -0.000 0.000) 0.000 6.887 ( 0.000 -0.000 0.000) 0.000 6.977 ( 0.000 -0.000 0.000) 0.000 7.301 ( 0.000 -0.000 0.000) 0.000 7.386 ( 0.000 -0.000 0.000) 0.000 7.482 ( 0.000 -0.000 0.000) 0.000 7.750 ( 0.000 -0.000 0.000) 0.000 7.767 ( 0.000 -0.000 0.000) 0.000 7.908 ( 0.000 -0.000 0.000) 0.000 8.310 ( 0.000 -0.000 0.000) 0.000 8.322 ( 0.000 -0.000 0.000) 0.000 8.398 ( 0.000 -0.000 0.000) 0.000 8.536 ( 0.000 -0.000 0.000) 0.000 9.191 ( 0.000 -0.000 0.000) 0.000 9.220 ( 0.000 -0.000 0.000) 0.000 9.244 ( 0.000 -0.000 -0.000) 0.000 9.562 ( 0.000 -0.000 -0.000) 0.000 9.886 ( 0.000 -0.000 0.000) 0.000 9.983 ( 0.000 -0.000 0.000) 0.000 10.043 ( -0.000 0.000 0.000) 0.000 10.513 ( 0.000 -0.000 0.000) 0.000 10.543 ( 0.000 -0.000 -0.000) 0.000 10.751 ( 0.000 -0.000 0.000) 0.000 11.271 ( 0.000 -0.000 0.000) 0.000 11.331 ( -0.000 0.000 0.000) 0.000 11.356 ( -0.000 0.000 0.000) 0.000 11.378 ( 0.000 -0.000 0.000) 0.000 11.500 ( 0.000 -0.000 0.000) 0.000 11.578 ( 0.000 -0.000 0.000) 0.000 12.264 ( 0.000 -0.000 0.000) 0.000 12.322 ( 0.000 -0.000 0.000) 0.000 13.026 ( 0.000 -0.000 0.000) 0.000 13.102 ( 0.000 -0.000 0.000) 0.000 13.158 ( -0.000 0.000 0.000) 0.000 13.178 ( 0.000 -0.000 0.000) 0.000 16.026 ( 0.000 -0.000 0.000) 0.000 16.150 ( 0.000 -0.000 0.000) 0.000 18.199 ( 0.000 -0.000 0.000) 0.000 18.217 ( 0.000 -0.000 0.000) 0.000 18.665 ( 0.000 -0.000 0.000) 0.000 18.678 ( 0.000 -0.000 0.000) 0.000 18.836 ( 0.000 -0.000 0.000) 0.000 18.856 ( -0.000 0.000 0.000) 0.000 19.756 ( 0.000 -0.000 0.000) 0.000 19.901 ( 0.000 -0.000 -0.000) 0.000 20.045 ( 0.000 -0.000 0.000) 0.000 20.987 ( 0.000 -0.000 0.000) 0.000 21.217 ( 0.000 -0.000 0.000) 0.000 21.466 ( -0.000 0.000 0.000) 0.000 21.867 ( 0.000 -0.000 0.000) 0.000 22.043 ( 0.000 -0.000 -0.000) 0.000 22.333 ( 0.000 -0.000 -0.000) 0.000 22.430 ( -0.000 0.000 0.000) 0.000 22.468 ( 0.000 -0.000 -0.000) 0.000 22.493 ( 0.000 -0.000 0.000) 0.000 22.725 ( 0.000 -0.000 0.000) 0.000 22.769 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 107 (32/86) ======================= q-point: ( 0.00 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.441 ( -0.888 0.000 20.709) 20.728 0.478 ( 12.684 -0.000 22.066) 25.452 0.729 ( -15.371 0.000 30.614) 34.256 0.862 ( 0.524 -0.000 -13.778) 13.788 0.928 ( -11.081 0.000 -19.363) 22.309 1.378 ( 14.743 -0.000 -25.133) 29.138 1.895 ( 7.525 -0.000 12.622) 14.695 2.110 ( -1.691 0.000 6.865) 7.070 2.141 ( -12.754 0.000 -9.625) 15.978 2.250 ( 0.444 -0.000 -4.868) 4.888 2.638 ( -0.956 0.000 6.576) 6.645 2.709 ( -1.177 0.000 -0.079) 1.180 2.909 ( -0.730 0.000 6.151) 6.194 2.968 ( -3.984 0.000 1.286) 4.187 3.185 ( -0.538 0.000 -2.394) 2.454 3.258 ( 3.513 -0.000 -7.231) 8.039 3.313 ( -18.658 0.000 3.202) 18.931 3.374 ( 2.406 -0.000 -1.463) 2.815 3.434 ( -0.294 0.000 0.995) 1.038 3.502 ( 0.152 -0.000 -5.651) 5.653 3.616 ( -8.999 0.000 7.493) 11.710 3.757 ( 7.782 -0.000 -4.306) 8.894 3.876 ( -6.313 0.000 0.740) 6.356 3.897 ( 4.049 -0.000 -0.118) 4.051 4.046 ( 0.600 -0.000 3.794) 3.841 4.163 ( 0.867 -0.000 -7.507) 7.557 4.521 ( -5.485 0.000 6.297) 8.351 4.578 ( 2.642 -0.000 0.547) 2.698 4.720 ( -2.707 0.000 -2.180) 3.476 4.735 ( 4.553 -0.000 -3.614) 5.813 4.743 ( -7.690 0.000 3.068) 8.280 4.793 ( 3.324 -0.000 -1.344) 3.585 5.086 ( -4.917 0.000 5.063) 7.058 5.092 ( -22.236 0.000 4.437) 22.674 5.133 ( -11.022 0.000 4.470) 11.894 5.246 ( 8.634 -0.000 -3.849) 9.453 5.288 ( 7.195 -0.000 -5.487) 9.049 5.297 ( 10.085 -0.000 -4.764) 11.154 5.654 ( 0.526 -0.000 1.552) 1.639 5.678 ( -2.197 0.000 -0.597) 2.277 5.841 ( 2.804 -0.000 1.125) 3.021 5.871 ( -0.654 0.000 -1.342) 1.493 6.210 ( -3.688 0.000 2.752) 4.601 6.271 ( 7.847 -0.000 -2.429) 8.215 6.275 ( -1.016 0.000 4.116) 4.240 6.346 ( -2.501 0.000 -1.746) 3.050 6.469 ( 6.219 -0.000 0.865) 6.279 6.522 ( -3.935 0.000 -3.542) 5.294 6.878 ( 4.284 -0.000 5.033) 6.610 6.983 ( -11.970 0.000 -4.248) 12.701 7.333 ( -6.182 0.000 6.388) 8.890 7.491 ( 5.609 -0.000 -7.434) 9.312 8.173 ( -5.323 0.000 7.638) 9.310 8.270 ( -6.099 0.000 3.598) 7.081 8.329 ( 9.206 -0.000 -5.721) 10.839 8.385 ( 9.743 -0.000 -7.065) 12.035 8.693 ( 6.177 -0.000 4.893) 7.880 8.801 ( -4.171 0.000 -4.770) 6.336 8.823 ( -7.389 0.000 6.300) 9.710 8.956 ( 12.468 -0.000 -5.741) 13.726 9.302 ( -6.594 0.000 6.739) 9.428 9.427 ( -10.827 0.000 -4.405) 11.689 10.343 ( 9.696 -0.000 -0.066) 9.696 10.346 ( -18.282 0.000 -0.241) 18.284 10.474 ( -4.510 0.000 1.892) 4.891 10.512 ( 3.102 -0.000 -1.400) 3.404 10.591 ( -6.816 0.000 0.057) 6.816 10.593 ( 6.134 -0.000 -0.076) 6.134 10.953 ( -42.026 0.000 0.121) 42.026 10.962 ( 12.759 -0.000 -0.543) 12.771 11.050 ( -9.716 0.000 3.215) 10.234 11.121 ( 4.738 -0.000 -2.898) 5.554 11.752 ( -1.721 0.000 0.972) 1.977 11.779 ( 3.036 -0.000 -1.434) 3.357 11.912 ( -12.609 0.000 1.499) 12.698 11.940 ( 29.926 -0.000 -0.915) 29.940 12.483 ( -1.226 0.000 0.281) 1.258 12.489 ( 1.189 -0.000 -0.276) 1.220 13.400 ( -1.302 0.000 0.124) 1.308 13.403 ( 0.450 -0.000 -0.133) 0.469 16.698 ( 22.489 -0.000 0.261) 22.490 16.704 ( -69.865 0.000 -0.270) 69.865 17.821 ( -1.726 0.000 0.165) 1.734 17.825 ( 1.757 -0.000 -0.178) 1.766 18.092 ( -7.906 0.000 0.325) 7.913 18.099 ( 22.002 -0.000 -0.294) 22.004 19.616 ( 22.433 -0.000 0.124) 22.433 19.618 ( -8.490 0.000 -0.078) 8.490 19.755 ( 4.572 -0.000 2.151) 5.053 19.807 ( -5.250 0.000 -2.254) 5.713 20.123 ( 4.022 -0.000 0.272) 4.031 20.136 ( -6.543 0.000 -0.985) 6.617 20.241 ( -7.536 0.000 0.772) 7.575 20.249 ( -2.511 0.000 -0.009) 2.511 21.966 ( 0.007 -0.000 -0.021) 0.022 21.966 ( -0.067 0.000 -0.077) 0.102 22.385 ( 2.065 -0.000 1.771) 2.721 22.427 ( -0.060 0.000 -1.726) 1.727 22.906 ( 2.073 -0.000 0.656) 2.174 22.920 ( -2.135 0.000 -0.577) 2.212 23.066 ( 1.571 -0.000 0.082) 1.573 23.068 ( -7.512 0.000 -0.088) 7.512 ======================= Grid point 108 (33/86) ======================= q-point: ( 0.10 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( 4.634 -3.255 15.171) 16.193 0.848 ( 13.588 -3.141 -9.548) 16.902 0.882 ( 10.126 -13.361 9.406) 19.223 1.010 ( -2.443 -15.587 -10.797) 19.118 1.049 ( 7.683 -22.016 10.590) 25.610 1.489 ( 13.648 -5.737 -12.835) 19.593 1.901 ( -7.411 2.165 0.833) 7.766 2.001 ( 7.841 -1.024 7.984) 11.237 2.216 ( -2.436 -7.226 2.938) 8.172 2.361 ( 6.513 -8.315 -4.316) 11.410 2.604 ( 0.627 5.341 4.599) 7.076 2.699 ( 4.126 1.075 -0.982) 4.376 2.812 ( -4.333 4.838 1.916) 6.771 2.870 ( 2.629 3.628 -3.037) 5.413 3.133 ( -7.338 1.062 3.087) 8.032 3.186 ( -1.631 -2.382 4.810) 5.610 3.347 ( 0.805 1.939 -1.749) 2.733 3.366 ( 5.131 -0.600 -4.505) 6.855 3.493 ( -5.215 -7.272 1.405) 9.058 3.630 ( -3.663 -4.034 4.125) 6.834 3.646 ( 1.144 -3.013 -3.985) 5.126 3.809 ( 3.845 2.530 -3.439) 5.746 3.851 ( -7.268 -3.369 0.928) 8.065 3.917 ( -3.487 -0.895 0.114) 3.602 4.052 ( 3.142 0.066 3.023) 4.361 4.170 ( 9.968 3.607 -8.048) 13.309 4.510 ( -5.520 -0.292 9.813) 11.263 4.540 ( -6.558 2.250 3.220) 7.644 4.559 ( -1.867 8.267 0.057) 8.475 4.658 ( 1.629 4.179 -4.264) 6.189 4.753 ( 1.789 5.744 0.461) 6.034 4.803 ( 3.871 -3.839 -7.715) 9.446 4.929 ( -6.887 5.623 6.077) 10.769 5.096 ( -4.774 -3.116 1.646) 5.934 5.159 ( -2.711 -3.586 1.826) 4.852 5.297 ( -2.256 -4.073 0.780) 4.721 5.395 ( 8.880 -0.387 -9.278) 12.848 5.417 ( 3.311 -3.531 -0.116) 4.842 5.614 ( -10.458 0.203 -1.271) 10.537 5.650 ( -2.124 -1.128 0.383) 2.435 5.830 ( -1.418 0.876 0.698) 1.807 5.924 ( 1.770 -2.789 -0.954) 3.438 6.096 ( 3.290 6.322 2.598) 7.586 6.218 ( 4.633 0.884 -1.270) 4.884 6.275 ( -1.910 3.366 0.783) 3.949 6.459 ( 3.317 -5.626 3.050) 7.208 6.468 ( 2.977 2.298 2.263) 4.390 6.643 ( 7.594 -6.767 -10.514) 14.628 6.923 ( 4.995 1.770 2.103) 5.702 6.982 ( 12.617 1.875 -1.464) 12.840 7.329 ( -2.290 -1.921 5.561) 6.313 7.530 ( 5.464 -0.702 -6.744) 8.708 8.081 ( -8.244 4.106 3.048) 9.701 8.127 ( 1.680 7.997 3.162) 8.762 8.338 ( 2.392 10.021 0.628) 10.321 8.431 ( 4.080 1.090 -7.935) 8.989 8.650 ( -10.030 -0.655 3.638) 10.690 8.764 ( 3.437 -0.410 -0.143) 3.464 8.853 ( 2.085 -1.139 2.138) 3.196 9.048 ( 10.166 -1.661 -6.659) 12.266 9.179 ( -11.438 7.242 16.252) 21.152 9.245 ( -4.611 2.098 7.282) 8.870 9.909 ( -7.371 8.440 7.458) 13.460 10.253 ( 5.911 13.756 -7.115) 16.577 10.428 ( -6.575 1.665 2.131) 7.109 10.517 ( -3.286 0.290 1.231) 3.521 10.576 ( -5.606 -1.736 -2.830) 6.516 10.665 ( 4.516 -5.145 2.091) 7.158 10.890 ( -8.014 -4.191 3.107) 9.562 11.027 ( 3.438 2.046 1.633) 4.321 11.112 ( -1.375 -4.604 -2.849) 5.587 11.256 ( 16.461 -1.320 2.466) 16.697 11.716 ( -8.044 3.087 -0.862) 8.659 11.763 ( -1.637 -1.326 -0.222) 2.118 11.870 ( 6.209 0.932 -1.245) 6.401 11.996 ( 20.195 11.700 -2.323) 23.454 12.480 ( -1.147 0.116 0.667) 1.332 12.504 ( 0.432 -0.617 -0.199) 0.779 13.367 ( -1.454 2.108 0.987) 2.744 13.419 ( -0.831 0.799 -2.925) 3.144 16.243 ( -14.345 4.296 11.276) 18.745 16.687 ( 15.231 15.035 0.996) 21.425 17.884 ( 0.369 -5.674 0.904) 5.758 17.915 ( 0.921 -7.375 1.020) 7.502 18.052 ( -18.016 -5.419 -1.231) 18.853 18.504 ( 24.560 -9.205 -6.748) 27.083 19.433 ( -9.404 4.530 -0.635) 10.458 19.566 ( 10.130 10.276 1.759) 14.536 19.727 ( -5.517 4.641 -0.345) 7.218 19.853 ( 4.264 8.461 -5.168) 10.793 20.065 ( -5.686 3.867 0.442) 6.891 20.108 ( 2.733 -0.163 -0.956) 2.900 20.344 ( 2.018 -10.365 6.044) 12.167 20.557 ( 14.783 -18.239 -5.622) 24.141 21.859 ( 0.708 3.773 4.867) 6.199 21.914 ( 0.844 3.380 -1.700) 3.876 22.375 ( -2.100 3.567 0.853) 4.226 22.461 ( 2.895 -0.168 -4.240) 5.137 22.775 ( -4.425 1.641 8.467) 9.693 22.912 ( -0.787 -2.612 -5.501) 6.140 23.192 ( -3.684 -9.184 6.935) 12.083 23.328 ( -10.414 -15.930 -11.617) 22.297 ======================= Grid point 109 (34/86) ======================= q-point: ( 0.20 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 7.862 -11.359 -1.266) 13.872 0.944 ( 13.435 -2.760 -7.686) 15.722 1.173 ( 2.159 -10.518 -6.748) 12.682 1.346 ( 6.642 -16.079 9.005) 19.589 1.633 ( 13.606 -21.975 6.799) 26.725 1.750 ( 9.799 -10.835 1.100) 14.650 1.922 ( 1.307 -4.453 0.086) 4.642 2.126 ( 8.379 -1.670 5.657) 10.247 2.301 ( -1.074 -5.214 2.915) 6.070 2.544 ( 3.355 -7.468 -7.114) 10.846 2.593 ( 3.321 6.088 -8.135) 10.690 2.671 ( 10.122 -2.955 -2.609) 10.862 2.782 ( 4.034 -3.275 1.945) 5.548 2.934 ( 4.299 -3.438 -1.479) 5.700 3.073 ( -7.816 -0.096 3.255) 8.467 3.226 ( -2.505 -1.267 2.157) 3.540 3.301 ( -2.241 0.973 1.341) 2.787 3.357 ( 0.875 3.078 -1.354) 3.474 3.555 ( 0.015 0.408 -1.567) 1.619 3.629 ( -4.042 -2.512 -1.869) 5.113 3.684 ( -2.455 -0.239 2.790) 3.724 3.729 ( 0.687 5.572 -0.531) 5.640 3.788 ( -3.679 3.870 -0.568) 5.370 3.910 ( -10.130 -3.568 -0.637) 10.759 4.088 ( 6.260 3.632 -4.510) 8.527 4.150 ( 1.167 1.321 3.030) 3.505 4.324 ( -5.594 8.095 0.884) 9.879 4.479 ( -8.512 0.316 4.361) 9.570 4.514 ( 0.913 1.328 3.619) 3.961 4.622 ( -4.368 1.877 0.386) 4.769 4.657 ( 4.176 2.382 -1.641) 5.080 4.830 ( -0.600 1.039 0.981) 1.550 4.890 ( 2.108 -4.107 -3.358) 5.709 5.096 ( 0.206 0.976 -1.738) 2.004 5.189 ( -1.975 0.517 3.394) 3.961 5.311 ( -4.919 0.217 -3.986) 6.335 5.387 ( -2.708 -0.992 -0.605) 2.947 5.440 ( -0.487 0.977 3.079) 3.267 5.541 ( -4.964 0.084 -1.663) 5.236 5.695 ( -1.945 -3.435 -1.287) 4.152 5.834 ( 2.653 -1.736 1.367) 3.453 5.961 ( 1.216 -0.127 -2.077) 2.410 6.073 ( 4.340 0.806 1.050) 4.538 6.162 ( -6.911 2.521 -0.927) 7.415 6.269 ( 9.761 2.792 -1.606) 10.279 6.497 ( 4.584 -2.366 2.749) 5.845 6.570 ( 9.452 1.530 2.850) 9.990 6.747 ( 9.708 0.694 -8.724) 13.070 6.920 ( 10.339 5.379 -0.714) 11.676 7.000 ( 3.580 2.560 2.203) 4.921 7.394 ( 1.195 -3.395 3.946) 5.341 7.568 ( 4.252 -0.618 -5.354) 6.865 7.953 ( -1.795 5.029 2.119) 5.745 8.003 ( -2.966 6.124 4.218) 8.005 8.181 ( 1.323 5.125 -0.663) 5.335 8.308 ( 0.050 8.498 -4.190) 9.475 8.676 ( -3.908 -2.986 -1.803) 5.239 8.785 ( -0.374 -1.028 1.179) 1.608 8.872 ( -0.450 2.133 5.870) 6.261 9.035 ( -8.582 3.923 9.527) 13.409 9.165 ( 9.564 -3.976 -8.177) 13.196 9.232 ( -2.901 -1.147 5.985) 6.750 9.827 ( 0.572 0.229 -0.705) 0.936 10.035 ( 2.519 8.832 -4.257) 10.122 10.394 ( -1.875 -0.418 0.878) 2.112 10.460 ( 0.231 4.232 0.047) 4.238 10.565 ( -9.286 -4.391 -1.083) 10.328 10.769 ( -1.129 -3.580 4.485) 5.848 10.905 ( 2.022 0.330 0.088) 2.051 11.010 ( 5.574 3.543 0.158) 6.606 11.155 ( 0.046 -0.838 -1.688) 1.885 11.315 ( 6.874 4.936 -0.386) 8.472 11.618 ( -2.613 2.228 -0.022) 3.434 11.770 ( -3.944 -0.781 -0.337) 4.035 11.890 ( 5.789 1.864 -0.018) 6.082 11.924 ( 16.035 9.046 -0.606) 18.421 12.469 ( -1.691 -0.501 1.387) 2.244 12.517 ( -0.376 -1.047 -0.764) 1.349 13.289 ( -1.659 5.234 1.390) 5.664 13.339 ( -2.347 4.672 -2.305) 5.714 16.179 ( -0.772 0.927 4.787) 4.936 16.500 ( 6.622 11.464 -2.332) 13.443 18.000 ( -7.472 -5.666 0.838) 9.414 18.048 ( -6.160 -7.830 -0.800) 9.995 18.100 ( 3.331 -8.944 0.335) 9.550 18.712 ( 17.783 3.100 0.439) 18.057 19.272 ( -8.828 7.375 -0.295) 11.507 19.395 ( 2.188 9.877 -0.847) 10.152 19.602 ( 2.040 6.851 2.726) 7.651 19.652 ( -1.015 9.587 -3.681) 10.319 19.921 ( -1.650 7.521 -0.201) 7.702 20.141 ( 7.444 1.477 -1.123) 7.672 20.552 ( -6.736 -12.589 0.207) 14.279 21.005 ( 14.569 -14.689 1.394) 20.735 21.865 ( -0.591 -2.073 -1.454) 2.600 21.909 ( 3.663 -1.507 1.367) 4.190 22.257 ( -3.389 6.057 1.948) 7.209 22.418 ( 2.374 5.169 -5.318) 7.787 22.784 ( -4.160 -3.324 8.695) 10.196 22.974 ( 0.689 -4.523 -7.125) 8.468 23.306 ( -6.748 -4.790 8.129) 11.600 23.424 ( -8.707 -5.917 -7.663) 13.021 ======================= Grid point 110 (35/86) ======================= q-point: ( 0.30 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 4.411 -10.181 -4.722) 12.059 1.182 ( 7.979 -9.991 2.316) 12.994 1.383 ( 3.831 -11.424 0.759) 12.073 1.641 ( 6.362 -6.189 6.100) 10.769 1.919 ( 7.355 -3.161 -0.255) 8.010 2.020 ( -1.696 -10.195 -0.917) 10.375 2.148 ( 15.013 -10.140 -2.944) 18.354 2.288 ( 8.822 -7.547 -1.478) 11.703 2.407 ( -0.692 -1.359 4.386) 4.644 2.491 ( 5.120 0.196 1.732) 5.409 2.719 ( 4.175 -5.589 -6.635) 9.628 2.827 ( 6.400 -3.457 -2.968) 7.856 2.915 ( 8.367 -3.971 3.371) 9.855 2.930 ( -8.035 1.861 2.874) 8.734 3.098 ( 0.720 -5.618 -4.579) 7.284 3.218 ( -2.522 -2.169 1.526) 3.660 3.253 ( -0.782 2.446 -1.103) 2.795 3.337 ( -2.211 -1.543 0.212) 2.704 3.436 ( -2.891 9.199 0.051) 9.643 3.605 ( -0.729 5.045 -1.692) 5.371 3.653 ( 1.412 1.272 -1.075) 2.184 3.690 ( -0.695 -1.482 0.639) 1.757 3.742 ( -4.718 -2.229 -0.881) 5.292 3.861 ( -7.930 1.054 1.305) 8.105 4.045 ( -0.659 1.180 -1.383) 1.934 4.065 ( -2.993 4.563 4.774) 7.250 4.180 ( 0.311 6.198 1.730) 6.443 4.416 ( -7.597 1.034 2.963) 8.219 4.490 ( -3.920 -0.381 -2.196) 4.509 4.619 ( 5.152 -0.462 1.763) 5.465 4.652 ( 0.024 -1.327 -5.384) 5.545 4.865 ( -5.692 -4.668 2.847) 7.893 4.982 ( 2.725 -2.928 -2.188) 4.559 5.047 ( 1.043 3.672 -1.673) 4.168 5.137 ( 0.194 3.166 1.855) 3.675 5.267 ( -9.055 -2.068 1.711) 9.445 5.362 ( -6.468 -1.733 -0.143) 6.698 5.479 ( 2.691 -1.933 0.186) 3.318 5.519 ( 1.688 0.165 -1.275) 2.122 5.700 ( -4.842 -0.873 1.874) 5.265 5.916 ( -0.283 2.055 -1.444) 2.528 5.962 ( 5.271 -2.944 0.754) 6.084 6.084 ( -0.114 0.597 -1.162) 1.312 6.101 ( 5.109 0.711 -0.207) 5.162 6.282 ( 8.667 2.826 -1.600) 9.255 6.546 ( 9.800 8.372 0.142) 12.890 6.609 ( 5.140 -3.493 1.231) 6.335 6.761 ( 4.082 2.048 -4.509) 6.418 6.871 ( 5.584 5.075 1.767) 7.750 6.997 ( 4.110 1.155 1.405) 4.494 7.457 ( 0.379 -1.218 2.202) 2.544 7.593 ( 2.834 0.088 -3.337) 4.379 7.854 ( 1.222 7.299 2.133) 7.702 7.880 ( -2.870 2.648 2.423) 4.596 8.067 ( 1.069 8.573 -1.400) 8.753 8.241 ( 4.241 -1.747 -5.226) 6.954 8.644 ( -4.837 2.226 -0.112) 5.326 8.775 ( -6.760 6.039 5.228) 10.465 8.787 ( -2.590 -0.167 -1.129) 2.830 8.951 ( -8.644 -0.614 8.755) 12.319 9.227 ( -2.557 0.268 2.334) 3.473 9.299 ( 8.540 -3.719 -8.806) 12.818 9.851 ( 0.499 -0.620 -1.147) 1.396 9.984 ( 3.022 -2.166 -0.265) 3.727 10.371 ( -0.537 1.442 -2.320) 2.784 10.422 ( 1.209 0.033 1.574) 1.985 10.594 ( -5.903 -4.755 1.245) 7.681 10.820 ( -4.799 -3.583 3.873) 7.132 10.896 ( 4.588 3.777 -0.668) 5.980 10.983 ( 7.461 4.339 -1.249) 8.721 11.136 ( 0.054 2.290 -0.763) 2.414 11.218 ( 2.734 8.064 -0.919) 8.564 11.558 ( -1.029 2.993 0.019) 3.165 11.721 ( -1.179 2.999 -0.345) 3.240 11.907 ( 6.012 1.961 0.914) 6.390 11.911 ( 6.539 1.323 -0.655) 6.703 12.494 ( -0.550 -2.865 1.249) 3.173 12.546 ( -0.056 -2.580 -0.986) 2.763 13.139 ( -3.621 7.992 0.242) 8.777 13.226 ( -1.602 4.877 -0.551) 5.163 16.175 ( 0.851 0.588 2.573) 2.773 16.360 ( 2.636 6.492 -2.264) 7.364 18.013 ( -8.189 -4.060 -0.611) 9.161 18.199 ( 0.788 -7.377 1.198) 7.515 18.297 ( 1.480 -9.305 -0.693) 9.448 18.729 ( 11.734 6.385 1.408) 13.433 19.001 ( -8.094 10.808 -0.841) 13.529 19.298 ( -0.498 2.362 1.337) 2.760 19.428 ( 2.877 10.332 -2.634) 11.044 19.539 ( -2.669 3.458 1.092) 4.503 19.771 ( 2.562 7.777 -0.036) 8.188 20.153 ( 6.489 2.801 -0.613) 7.094 20.725 ( -6.143 -10.713 -0.430) 12.357 21.339 ( 9.199 -9.900 1.695) 13.620 21.911 ( -0.628 -3.490 -1.850) 4.000 21.979 ( 2.646 -1.023 0.773) 2.941 22.121 ( -2.759 5.233 3.089) 6.674 22.301 ( 1.005 6.407 -5.155) 8.284 22.855 ( -2.180 -4.464 6.781) 8.406 23.045 ( 1.346 -3.427 -6.299) 7.296 23.320 ( -6.444 -1.069 5.280) 8.399 23.423 ( -6.053 -2.121 -3.639) 7.374 ======================= Grid point 111 (36/86) ======================= q-point: ( 0.40 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -1.379 -8.832 3.130) 9.471 1.392 ( 1.697 -8.651 2.533) 9.172 1.655 ( 3.473 -6.048 -0.064) 6.975 1.774 ( 9.613 -6.421 -0.329) 11.565 2.017 ( 8.342 1.986 -5.050) 9.952 2.128 ( 1.707 -1.268 -3.620) 4.198 2.225 ( 2.352 0.589 -0.966) 2.610 2.449 ( 0.481 -3.545 4.709) 5.914 2.534 ( 1.152 -0.336 0.539) 1.315 2.631 ( 7.421 -12.929 1.030) 14.943 2.743 ( -1.525 0.644 1.332) 2.125 2.828 ( -7.350 0.872 1.299) 7.515 2.911 ( 2.474 -2.534 -5.123) 6.228 3.036 ( 4.350 -0.476 3.565) 5.645 3.140 ( -0.176 1.733 -1.486) 2.290 3.220 ( -0.702 7.483 -0.640) 7.544 3.269 ( -3.953 -2.283 2.367) 5.142 3.337 ( 5.685 -7.184 -3.801) 9.919 3.380 ( 1.656 -3.788 -0.848) 4.220 3.535 ( 2.494 3.291 -2.874) 5.031 3.548 ( -4.702 6.026 3.313) 8.330 3.672 ( -0.532 2.589 -2.353) 3.539 3.740 ( -3.011 2.698 3.623) 5.429 3.841 ( -2.022 -5.941 0.010) 6.276 4.008 ( -3.493 0.701 3.330) 4.877 4.056 ( -1.445 -3.157 -2.832) 4.480 4.086 ( 1.795 4.808 1.994) 5.505 4.345 ( -2.595 1.459 0.125) 2.979 4.493 ( -5.259 -3.894 -3.121) 7.250 4.656 ( 1.081 1.168 -0.244) 1.610 4.669 ( 2.833 -0.080 -0.035) 2.834 4.871 ( -7.105 -1.277 -0.491) 7.235 4.988 ( -0.539 2.887 -2.107) 3.614 5.002 ( 1.457 1.045 0.955) 2.031 5.117 ( 3.482 0.265 2.272) 4.166 5.279 ( -10.433 -3.081 1.574) 10.992 5.359 ( -2.583 -4.870 -0.244) 5.518 5.501 ( -0.343 -0.711 0.999) 1.273 5.566 ( 3.914 0.273 0.203) 3.929 5.685 ( -0.233 0.251 0.603) 0.693 5.802 ( -3.038 5.109 -1.414) 6.110 6.086 ( 2.215 -4.088 -1.273) 4.821 6.104 ( 6.074 -0.152 1.265) 6.206 6.163 ( 6.161 -2.489 0.597) 6.672 6.295 ( 5.549 1.611 -2.009) 6.117 6.452 ( 5.700 6.928 -1.118) 9.040 6.636 ( -0.456 3.520 1.228) 3.755 6.750 ( 0.309 -0.796 -0.787) 1.161 6.871 ( 3.582 -0.834 -0.007) 3.677 7.013 ( 4.886 1.519 0.488) 5.140 7.445 ( -2.976 1.638 1.860) 3.873 7.580 ( -0.134 2.076 -0.914) 2.273 7.776 ( 3.806 1.603 -2.579) 4.869 7.823 ( -1.010 2.583 0.802) 2.887 7.959 ( 3.544 3.742 2.087) 5.561 8.324 ( 6.956 -2.802 -7.599) 10.676 8.514 ( -9.836 6.329 4.977) 12.711 8.616 ( -5.601 3.352 -0.524) 6.548 8.756 ( -3.574 0.205 -0.476) 3.611 8.946 ( -6.105 -2.016 11.132) 12.855 9.203 ( -1.106 0.729 -0.019) 1.324 9.390 ( 6.394 -1.529 -9.493) 11.547 9.843 ( -1.329 0.320 0.940) 1.659 10.103 ( 2.056 -5.877 0.085) 6.227 10.370 ( 3.007 -0.435 -2.532) 3.955 10.442 ( 0.368 -0.929 1.972) 2.211 10.652 ( -4.615 -5.069 2.617) 7.338 10.817 ( 0.478 4.582 -2.107) 5.066 10.869 ( -3.819 -3.418 2.852) 5.865 10.954 ( 7.459 4.807 -2.149) 9.130 11.053 ( 1.115 8.160 -0.828) 8.278 11.105 ( 1.191 2.408 0.978) 2.859 11.490 ( -1.446 2.537 -0.758) 3.018 11.661 ( 0.418 2.581 0.382) 2.643 11.918 ( 3.654 1.009 0.120) 3.792 11.949 ( 1.693 -1.292 0.000) 2.130 12.563 ( 0.424 -3.409 0.397) 3.458 12.620 ( 1.666 -4.862 -0.330) 5.151 12.947 ( -4.384 8.164 -0.314) 9.272 13.127 ( -0.911 3.998 0.210) 4.106 16.180 ( 0.366 -0.124 1.536) 1.584 16.276 ( 1.002 3.523 -1.544) 3.975 18.029 ( -3.549 -2.452 -0.474) 4.340 18.315 ( -0.399 -4.010 2.388) 4.685 18.467 ( -1.053 -7.856 -2.466) 8.301 18.671 ( 7.967 8.876 -1.133) 11.981 18.810 ( -5.323 1.332 2.619) 6.080 19.246 ( -0.522 5.150 -3.842) 6.447 19.300 ( 3.706 3.261 3.566) 6.089 19.451 ( -4.094 2.321 -1.060) 4.824 19.678 ( 3.418 4.518 0.666) 5.704 20.141 ( 3.228 2.125 -0.153) 3.868 20.857 ( -3.008 -6.560 -0.305) 7.223 21.547 ( 4.294 -5.896 1.020) 7.364 21.942 ( -0.950 3.988 -0.337) 4.113 21.969 ( -0.974 -3.298 -1.498) 3.751 22.055 ( 0.179 2.847 3.400) 4.438 22.202 ( 1.114 3.004 -3.463) 4.717 22.939 ( -0.391 -3.842 3.592) 5.274 23.089 ( 0.618 -1.171 -3.207) 3.469 23.290 ( -3.611 0.263 1.827) 4.055 23.406 ( -3.311 -0.745 -1.080) 3.561 ======================= Grid point 112 (37/86) ======================= q-point: (-0.50 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -4.141 -8.110 8.174) 12.237 1.519 ( 1.124 0.464 -1.639) 2.040 1.621 ( 3.315 4.122 -10.883) 12.100 1.919 ( -2.822 7.842 2.405) 8.675 2.013 ( 4.898 -4.954 4.116) 8.091 2.153 ( 0.792 7.099 -3.996) 8.185 2.189 ( -1.743 -4.540 2.482) 5.460 2.493 ( -2.571 -1.484 2.841) 4.109 2.551 ( 2.815 -0.930 -4.235) 5.170 2.722 ( -1.228 -0.682 0.968) 1.706 2.796 ( 2.543 2.605 -0.083) 3.642 2.842 ( -3.757 -5.141 -1.228) 6.485 2.980 ( 2.129 -1.850 -1.411) 3.154 3.030 ( -2.690 5.396 0.402) 6.043 3.080 ( 3.333 -0.911 1.163) 3.646 3.128 ( 0.208 -0.700 -1.844) 1.983 3.257 ( -3.347 1.140 5.223) 6.307 3.374 ( -4.517 2.100 4.274) 6.563 3.470 ( -0.114 0.806 1.795) 1.972 3.510 ( 5.086 -6.567 -6.588) 10.601 3.530 ( -2.686 4.081 1.379) 5.077 3.599 ( 3.522 0.374 -4.396) 5.646 3.719 ( 2.279 -1.408 0.400) 2.709 3.915 ( -5.822 2.347 2.591) 6.791 3.974 ( 1.629 -2.672 0.004) 3.130 4.039 ( 0.366 1.623 0.545) 1.751 4.114 ( 1.335 -3.599 -4.798) 6.144 4.319 ( 0.114 0.395 0.749) 0.854 4.486 ( -0.501 3.096 1.283) 3.388 4.629 ( 1.219 1.430 1.774) 2.585 4.694 ( 1.210 -0.786 0.178) 1.454 4.847 ( -2.987 -1.478 -2.999) 4.483 4.928 ( -0.191 1.038 -0.644) 1.236 5.021 ( 2.320 -1.285 -0.867) 2.790 5.180 ( 4.811 -1.601 2.271) 5.556 5.198 ( -8.098 1.064 1.203) 8.256 5.473 ( 1.135 0.894 0.817) 1.659 5.511 ( 1.477 -0.493 0.927) 1.812 5.537 ( 0.374 0.056 -0.279) 0.470 5.680 ( -0.867 0.498 1.014) 1.424 5.725 ( -0.798 -0.208 -1.797) 1.978 6.095 ( 1.073 1.127 0.304) 1.586 6.207 ( -0.075 2.671 -0.174) 2.678 6.235 ( -0.171 -2.826 0.134) 2.835 6.279 ( -0.442 -2.265 -0.977) 2.506 6.389 ( 0.494 2.093 -0.568) 2.224 6.595 ( 1.066 -0.929 -0.203) 1.429 6.746 ( -1.991 -0.017 -0.096) 1.993 6.915 ( 0.090 -0.593 0.379) 0.709 7.013 ( 1.121 0.831 -0.211) 1.411 7.413 ( 0.231 -0.541 0.585) 0.830 7.540 ( 0.186 0.754 0.613) 0.990 7.765 ( -4.716 0.889 0.267) 4.807 7.821 ( 2.230 -2.722 -3.489) 4.955 7.973 ( 5.454 -0.613 -0.795) 5.545 8.300 ( -12.043 5.045 5.176) 14.045 8.440 ( 8.759 -3.239 -3.812) 10.087 8.567 ( 2.320 0.683 -2.540) 3.508 8.731 ( -2.013 0.041 1.490) 2.504 8.963 ( -2.658 -0.480 11.221) 11.542 9.189 ( -0.345 -0.032 -0.797) 0.869 9.415 ( 2.119 0.038 -8.901) 9.150 9.841 ( 0.805 -0.295 -0.241) 0.891 10.176 ( -1.047 -0.066 1.298) 1.669 10.384 ( 1.408 1.235 -1.291) 2.275 10.467 ( -1.374 -1.168 1.043) 2.083 10.706 ( -1.155 -0.910 2.757) 3.125 10.759 ( 1.203 -0.367 -1.093) 1.666 10.872 ( -0.421 4.057 -0.864) 4.169 10.918 ( 3.199 -0.315 -1.044) 3.380 10.977 ( -2.355 -1.946 0.526) 3.100 11.095 ( -0.134 -0.378 0.544) 0.676 11.452 ( -0.002 0.217 -0.909) 0.935 11.637 ( -0.316 0.005 0.883) 0.938 11.923 ( 0.119 0.098 -0.107) 0.187 11.972 ( 0.053 -0.182 -0.049) 0.196 12.604 ( 0.051 0.054 0.027) 0.079 12.742 ( 0.740 -1.234 0.229) 1.457 12.780 ( -1.160 1.103 -0.602) 1.710 13.080 ( 0.416 0.121 0.334) 0.547 16.197 ( -0.714 -1.480 1.238) 2.057 16.231 ( 0.690 1.455 -1.297) 2.067 18.040 ( -0.035 0.004 -0.226) 0.229 18.376 ( 0.343 -1.906 3.688) 4.165 18.500 ( 0.338 3.851 -5.555) 6.768 18.604 ( -0.938 -1.403 -0.114) 1.691 18.828 ( -0.256 -1.830 3.938) 4.350 19.142 ( 1.167 2.974 -3.254) 4.560 19.318 ( -0.341 -1.799 3.143) 3.637 19.402 ( -0.253 0.392 -1.910) 1.966 19.653 ( -0.073 -0.446 0.385) 0.593 20.132 ( -0.024 -0.001 0.035) 0.042 20.909 ( 0.067 0.215 -0.090) 0.243 21.629 ( -0.192 -0.136 0.787) 0.821 21.889 ( -0.270 -0.199 -0.243) 0.415 21.990 ( 1.195 1.958 0.395) 2.328 22.041 ( -0.809 -3.299 -1.787) 3.839 22.166 ( 0.242 1.837 0.337) 1.883 23.002 ( 0.717 -1.794 0.059) 1.933 23.076 ( -1.625 1.766 1.205) 2.685 23.279 ( 1.045 -0.226 -0.593) 1.223 23.397 ( -0.296 -0.005 -0.165) 0.339 ======================= Grid point 113 (38/86) ======================= q-point: (-0.40 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( -0.687 12.935 -6.295) 14.401 1.417 ( -4.394 3.819 4.298) 7.236 1.622 ( -1.926 -3.821 0.487) 4.306 1.692 ( -7.776 11.511 3.262) 14.269 1.993 ( -3.581 4.164 -1.329) 5.651 2.070 ( 2.220 3.351 -0.072) 4.020 2.210 ( -6.668 -0.616 -1.514) 6.865 2.492 ( -5.144 1.049 2.909) 6.002 2.585 ( 0.295 -0.659 -3.585) 3.657 2.668 ( -4.394 11.273 -0.481) 12.108 2.704 ( -1.865 4.721 2.686) 5.743 2.829 ( 3.063 -2.206 1.076) 3.925 2.926 ( 2.587 -0.800 -4.278) 5.063 3.077 ( -4.591 -1.134 -0.096) 4.730 3.106 ( 2.286 0.464 0.842) 2.480 3.217 ( -0.961 -1.747 0.265) 2.011 3.242 ( -3.813 -1.717 2.788) 5.025 3.293 ( 1.990 1.467 -1.434) 2.858 3.401 ( -0.395 4.443 -0.038) 4.461 3.484 ( 1.789 -2.942 -1.248) 3.662 3.597 ( -3.232 -2.143 0.609) 3.925 3.659 ( 1.918 -2.973 -0.577) 3.585 3.774 ( 5.172 0.917 0.683) 5.297 3.821 ( 0.203 2.904 0.808) 3.021 3.995 ( -1.073 1.704 2.132) 2.933 4.030 ( -0.903 -1.908 0.354) 2.140 4.189 ( 1.939 -3.361 -4.008) 5.579 4.373 ( 6.182 -3.798 -1.020) 7.327 4.412 ( 6.002 5.374 1.677) 8.229 4.617 ( 1.622 2.105 1.397) 3.002 4.703 ( -2.464 -1.427 -2.126) 3.554 4.859 ( -0.154 -0.738 0.135) 0.766 4.958 ( 1.608 -1.975 0.645) 2.628 5.069 ( 3.713 -0.116 -3.441) 5.063 5.122 ( -6.548 -1.227 1.321) 6.792 5.277 ( 6.782 -1.188 2.564) 7.348 5.346 ( 5.702 8.680 0.081) 10.386 5.518 ( -2.508 2.653 2.188) 4.256 5.543 ( -0.905 0.146 -0.747) 1.182 5.703 ( 0.463 -1.431 0.016) 1.504 5.773 ( 1.298 -4.611 -0.014) 4.791 6.068 ( -2.340 1.086 0.072) 2.580 6.105 ( -6.016 1.157 0.875) 6.189 6.180 ( -7.753 4.996 -0.313) 9.229 6.311 ( -1.245 -0.627 -3.649) 3.906 6.412 ( -4.900 -6.721 2.009) 8.557 6.692 ( 2.278 -5.212 -2.583) 6.247 6.728 ( -3.330 -0.030 0.871) 3.442 6.886 ( -2.288 0.923 -0.809) 2.596 7.004 ( -5.273 -1.475 0.976) 5.562 7.462 ( 0.643 -2.580 1.336) 2.975 7.558 ( 1.863 -0.057 -0.319) 1.891 7.745 ( -3.895 -4.075 0.616) 5.671 7.876 ( -1.529 -4.315 -3.383) 5.693 8.047 ( 5.407 -2.500 -5.661) 8.218 8.159 ( -10.402 1.420 6.294) 12.240 8.576 ( 7.257 -1.796 2.514) 7.888 8.611 ( 8.053 -2.689 -3.265) 9.097 8.736 ( 1.377 -0.829 1.760) 2.384 8.976 ( 1.401 0.622 8.086) 8.230 9.182 ( -1.416 0.779 1.510) 2.211 9.406 ( 0.319 -1.220 -10.469) 10.545 9.846 ( 0.681 1.211 0.824) 1.616 10.105 ( -1.956 5.202 0.055) 5.558 10.341 ( -0.358 2.322 -0.146) 2.354 10.459 ( -2.764 0.083 0.266) 2.778 10.723 ( 4.221 5.198 -3.269) 7.452 10.739 ( 2.259 -1.385 4.678) 5.377 10.887 ( -7.447 -5.952 2.399) 9.830 10.933 ( 2.283 0.184 -2.100) 3.107 11.053 ( -0.012 -5.686 -0.586) 5.716 11.122 ( -3.722 -4.353 -0.207) 5.731 11.480 ( 1.912 -2.249 -0.196) 2.958 11.661 ( -1.033 -2.915 0.340) 3.111 11.914 ( -3.372 -0.494 0.266) 3.419 11.957 ( -1.842 0.791 -0.362) 2.037 12.562 ( -0.209 3.478 0.399) 3.507 12.627 ( -1.913 4.808 -0.648) 5.215 12.938 ( 3.645 -8.339 0.250) 9.104 13.130 ( 1.804 -3.769 0.007) 4.178 16.217 ( -1.185 -0.838 1.114) 1.829 16.239 ( -0.252 -2.633 -1.147) 2.883 18.027 ( 3.422 2.421 -0.346) 4.206 18.375 ( -0.170 4.312 1.618) 4.609 18.401 ( 2.238 6.350 -1.361) 6.869 18.652 ( -7.867 -7.553 0.225) 10.908 18.858 ( 4.877 -0.857 -0.353) 4.965 19.174 ( -1.244 -5.702 1.376) 5.996 19.360 ( -2.195 -2.846 -0.794) 3.680 19.430 ( 4.468 -2.250 -0.117) 5.004 19.696 ( -3.941 -5.665 -0.413) 6.913 20.139 ( -3.026 -1.823 -0.053) 3.533 20.849 ( 3.052 7.019 0.142) 7.655 21.556 ( -4.573 5.202 0.538) 6.947 21.939 ( 0.543 -2.456 -0.711) 2.614 21.958 ( 1.192 1.163 0.064) 1.667 22.111 ( -2.378 -0.862 4.078) 4.799 22.146 ( 2.190 -3.483 -4.543) 6.129 22.986 ( -2.540 3.559 3.821) 5.807 23.042 ( 1.715 0.903 -3.301) 3.828 23.302 ( 3.155 0.213 1.132) 3.359 23.405 ( 3.795 0.284 -1.100) 3.962 ======================= Grid point 114 (39/86) ======================= q-point: (-0.30 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( -3.860 14.244 -4.989) 15.578 1.195 ( -8.001 12.574 1.465) 14.976 1.387 ( -4.488 14.803 -1.564) 15.547 1.726 ( -6.920 -6.899 9.897) 13.909 1.837 ( -5.797 8.494 -2.830) 10.666 1.973 ( -1.720 7.380 2.261) 7.908 2.171 ( -11.240 5.946 -6.305) 14.193 2.273 ( -9.976 2.829 -0.471) 10.380 2.435 ( -3.158 7.408 7.350) 10.903 2.570 ( -5.701 8.438 -3.493) 10.765 2.627 ( -0.789 1.276 -2.196) 2.660 2.774 ( 1.620 5.670 -0.465) 5.915 2.927 ( -5.505 2.597 0.237) 6.092 2.998 ( -6.064 4.643 1.036) 7.707 3.119 ( 7.085 -1.815 -6.008) 9.465 3.201 ( 0.575 -0.347 0.937) 1.153 3.257 ( 4.184 0.172 -0.592) 4.229 3.296 ( -0.775 -0.335 3.505) 3.605 3.496 ( 6.028 -6.294 -5.391) 10.248 3.568 ( -3.053 -4.507 2.267) 5.896 3.627 ( -0.587 -4.090 0.050) 4.133 3.684 ( 1.660 0.134 0.881) 1.884 3.786 ( 7.314 1.162 -4.266) 8.547 3.828 ( 5.445 0.314 3.433) 6.445 3.943 ( -4.241 1.179 6.171) 7.580 4.125 ( 3.213 -6.561 0.097) 7.306 4.246 ( 2.655 -1.114 -1.694) 3.341 4.378 ( 3.303 1.278 3.170) 4.754 4.543 ( 10.436 -2.773 -1.051) 10.849 4.591 ( -3.476 -1.235 -1.516) 3.988 4.710 ( -0.172 -2.586 -6.897) 7.368 4.828 ( -3.030 4.242 4.884) 7.144 4.983 ( 2.140 1.178 -0.906) 2.605 5.067 ( 2.937 0.502 -1.294) 3.249 5.123 ( -1.462 -1.324 -0.953) 2.190 5.264 ( -1.878 3.195 5.018) 6.238 5.368 ( 10.214 -1.624 -0.665) 10.364 5.458 ( 0.020 1.581 -1.377) 2.097 5.533 ( 2.240 0.676 -0.074) 2.341 5.689 ( -0.033 2.548 2.222) 3.380 5.876 ( -1.949 -3.068 0.602) 3.684 6.004 ( -3.177 4.190 -0.961) 5.345 6.058 ( -2.287 -1.974 0.352) 3.042 6.084 ( -3.559 -0.756 0.001) 3.638 6.281 ( -6.285 -0.908 -1.423) 6.508 6.524 ( -9.188 -8.443 1.443) 12.561 6.680 ( -3.881 1.738 0.856) 4.338 6.705 ( -0.608 2.459 -4.089) 4.810 6.931 ( -4.044 -5.883 -2.847) 7.685 6.999 ( -8.062 -4.625 1.556) 9.424 7.489 ( -5.101 -1.038 3.669) 6.369 7.545 ( 0.709 1.043 -3.712) 3.920 7.847 ( 1.724 -4.748 3.539) 6.168 7.984 ( -0.776 -8.766 -7.768) 11.738 8.092 ( -4.329 -1.933 4.991) 6.884 8.130 ( 0.844 -2.971 -3.726) 4.839 8.622 ( 7.238 2.531 4.398) 8.839 8.733 ( 1.430 -3.955 3.212) 5.291 8.815 ( 5.482 -4.421 -0.803) 7.088 9.001 ( 1.553 0.309 4.944) 5.191 9.127 ( -0.950 4.032 1.999) 4.599 9.426 ( -0.959 -2.727 -9.949) 10.360 9.808 ( -0.462 1.679 1.584) 2.354 9.991 ( -2.089 3.903 -0.642) 4.473 10.333 ( 2.949 -0.666 0.665) 3.096 10.436 ( -2.575 -0.160 0.064) 2.581 10.653 ( 4.519 4.727 -3.396) 7.369 10.797 ( 1.865 -1.171 6.324) 6.696 10.927 ( -0.778 -0.178 -3.270) 3.366 10.938 ( -8.483 -4.724 2.180) 9.952 11.136 ( 0.296 -2.853 -0.801) 2.978 11.208 ( -3.589 -6.168 -0.248) 7.141 11.555 ( 2.253 -3.472 0.136) 4.141 11.726 ( 0.682 -3.645 -0.628) 3.761 11.896 ( -7.348 -2.403 0.634) 7.757 11.922 ( -5.522 -0.577 -0.396) 5.566 12.502 ( 0.504 2.506 1.067) 2.770 12.542 ( 0.005 2.982 -1.072) 3.169 13.128 ( 2.905 -8.268 0.754) 8.795 13.231 ( 2.532 -4.616 -0.755) 5.318 16.239 ( -0.746 -2.282 0.279) 2.417 16.299 ( -2.943 -5.071 -0.107) 5.864 18.008 ( 7.730 3.969 -0.310) 8.695 18.230 ( -1.334 8.981 -0.352) 9.086 18.268 ( -0.893 7.990 0.715) 8.072 18.738 ( -11.420 -8.494 0.876) 14.260 19.008 ( 8.700 -8.798 -1.244) 12.436 19.291 ( 1.511 -4.626 1.781) 5.183 19.408 ( -5.900 -7.260 -1.362) 9.453 19.548 ( 5.441 -4.986 0.399) 7.391 19.798 ( -4.892 -8.608 -1.550) 10.022 20.143 ( -5.075 -1.657 -0.031) 5.339 20.704 ( 5.524 11.523 0.797) 12.804 21.373 ( -9.440 7.954 -0.196) 12.346 21.884 ( 0.586 4.651 -0.195) 4.692 21.983 ( -2.212 0.896 0.366) 2.415 22.138 ( 1.357 -4.525 2.969) 5.579 22.272 ( 1.929 -6.652 -4.250) 8.126 22.892 ( -2.833 4.669 6.683) 8.631 23.020 ( 3.320 2.430 -6.875) 8.012 23.308 ( 3.189 2.713 4.643) 6.252 23.445 ( 8.523 0.329 -3.703) 9.298 ======================= Grid point 115 (40/86) ======================= q-point: (-0.20 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -4.069 8.368 -4.078) 10.159 0.898 ( -10.274 8.873 1.765) 13.690 1.059 ( -2.774 14.960 -2.179) 15.370 1.577 ( -4.409 11.932 -6.529) 14.298 1.643 ( -20.150 13.273 4.359) 24.520 1.731 ( -11.633 16.689 0.931) 20.364 1.861 ( -2.333 6.223 6.681) 9.424 2.121 ( -13.391 4.027 7.591) 15.911 2.402 ( 2.438 -0.487 -4.357) 5.017 2.473 ( 0.400 -0.674 -1.440) 1.640 2.544 ( -0.833 4.646 -5.453) 7.212 2.669 ( -3.631 2.125 -3.506) 5.477 2.811 ( -1.607 3.433 -0.305) 3.802 2.876 ( -7.622 1.549 2.362) 8.129 3.180 ( 6.359 0.049 -4.651) 7.878 3.263 ( 4.227 -1.333 -0.102) 4.434 3.274 ( 2.091 1.273 3.630) 4.378 3.298 ( -4.144 -1.421 2.429) 5.009 3.580 ( 3.108 1.378 -1.429) 3.688 3.623 ( 1.637 -4.210 -1.991) 4.936 3.678 ( 0.331 0.124 1.619) 1.657 3.746 ( 0.745 -3.227 -2.509) 4.155 3.853 ( 7.398 -2.331 -3.322) 8.438 3.880 ( 8.302 1.552 0.307) 8.451 3.949 ( -4.918 -4.248 5.933) 8.799 4.219 ( 1.396 2.674 -2.124) 3.689 4.317 ( 1.542 -7.818 2.674) 8.406 4.452 ( 5.535 -5.552 2.324) 8.178 4.567 ( 1.273 0.803 0.737) 1.676 4.641 ( -3.883 -4.977 0.028) 6.312 4.704 ( -1.224 6.199 4.466) 7.738 4.783 ( -2.030 -4.085 -8.046) 9.249 4.989 ( 6.760 -0.809 -5.070) 8.488 5.065 ( 2.054 2.485 -1.709) 3.649 5.151 ( -2.867 -3.680 7.970) 9.235 5.249 ( -0.608 -1.918 0.111) 2.015 5.417 ( 1.603 3.229 -2.469) 4.369 5.484 ( 9.272 -0.789 -0.331) 9.311 5.562 ( 5.331 0.257 -2.737) 5.998 5.638 ( -0.051 2.193 2.388) 3.243 5.814 ( -4.736 2.040 1.584) 5.394 5.977 ( 1.130 1.107 -2.108) 2.636 6.068 ( -3.705 -1.568 1.329) 4.237 6.137 ( 5.419 -2.918 0.288) 6.162 6.247 ( -9.346 -2.184 -0.138) 9.598 6.536 ( -10.920 -1.628 0.840) 11.072 6.601 ( -8.038 2.604 4.753) 9.695 6.672 ( 0.404 0.025 -7.141) 7.152 6.929 ( -5.240 -0.188 -0.948) 5.328 7.082 ( -9.239 -8.566 -4.728) 13.457 7.443 ( -8.668 0.427 5.614) 10.336 7.524 ( 2.122 1.365 -7.239) 7.666 7.949 ( 1.440 -4.412 3.437) 5.775 8.079 ( -3.313 -5.063 -4.504) 7.543 8.176 ( -2.344 -6.442 6.705) 9.589 8.245 ( 5.703 -7.286 -4.921) 10.480 8.633 ( 7.570 3.343 3.693) 9.062 8.789 ( -1.607 -1.478 1.149) 2.468 8.948 ( -5.450 -3.750 3.997) 7.730 8.962 ( -0.361 2.471 2.641) 3.635 9.081 ( 4.114 -0.405 2.492) 4.827 9.410 ( -6.598 -0.212 -3.311) 7.385 9.851 ( 3.835 -4.953 -2.486) 6.739 9.954 ( -1.993 -3.144 0.205) 3.728 10.394 ( 5.020 -1.092 0.643) 5.178 10.444 ( -1.019 -2.912 0.882) 3.209 10.599 ( 5.292 4.284 -2.926) 7.411 10.836 ( 3.161 0.925 2.880) 4.375 10.873 ( -4.720 2.332 0.017) 5.265 10.979 ( -6.221 -4.547 1.785) 7.910 11.162 ( -2.051 -0.703 -2.293) 3.155 11.275 ( -1.074 -3.216 1.912) 3.893 11.633 ( 1.587 -2.763 -0.719) 3.266 11.780 ( 3.685 0.537 -0.961) 3.845 11.889 ( -7.398 -1.990 0.002) 7.661 11.918 ( -14.923 -8.708 -0.190) 17.278 12.484 ( 0.572 0.341 1.404) 1.554 12.504 ( 1.149 1.404 -0.913) 2.031 13.288 ( 1.091 -6.043 1.464) 6.313 13.337 ( 3.475 -4.055 -2.209) 5.779 16.303 ( 1.088 -4.777 -1.984) 5.286 16.396 ( -8.430 -9.934 3.303) 13.441 17.994 ( 9.516 5.332 0.956) 10.950 18.041 ( -1.347 8.824 0.020) 8.926 18.106 ( 0.970 7.892 -0.196) 7.954 18.770 ( -17.373 -5.489 -2.872) 18.444 19.258 ( 9.533 -6.767 0.471) 11.700 19.382 ( -2.742 -7.909 -0.032) 8.371 19.571 ( -2.513 -11.966 2.125) 12.410 19.680 ( 2.090 -5.448 -2.981) 6.552 19.936 ( -0.829 -8.213 -1.413) 8.375 20.114 ( -2.814 1.591 0.727) 3.313 20.505 ( 3.595 12.999 2.829) 13.780 21.100 ( -14.674 10.094 -4.117) 18.280 21.799 ( 0.806 4.108 2.739) 5.003 21.935 ( -2.580 0.875 -0.371) 2.749 22.272 ( 1.962 -6.296 1.902) 6.864 22.386 ( 1.494 -4.363 -3.929) 6.059 22.804 ( -1.794 3.993 7.616) 8.785 22.973 ( 3.685 3.380 -7.631) 9.123 23.264 ( 3.704 6.130 6.522) 9.687 23.490 ( 11.620 2.982 -7.442) 14.117 ======================= Grid point 116 (41/86) ======================= q-point: (-0.10 0.00 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -13.589 6.519 12.201) 19.392 0.640 ( -3.325 15.756 13.907) 21.277 0.893 ( -0.809 -0.340 -17.832) 17.853 1.102 ( -19.443 23.304 19.582) 36.119 1.244 ( -18.548 13.313 -13.501) 26.524 1.380 ( 7.019 7.311 -12.739) 16.278 1.828 ( 4.760 1.591 6.853) 8.494 2.067 ( -7.201 -4.863 1.498) 8.817 2.281 ( -5.021 9.685 2.634) 11.223 2.347 ( -1.842 5.529 -6.583) 8.791 2.591 ( -2.048 -4.243 5.744) 7.429 2.699 ( -2.950 -4.511 -1.523) 5.601 2.797 ( 1.968 -2.749 1.255) 3.606 2.894 ( -0.678 -7.022 -3.008) 7.669 3.187 ( -0.425 2.380 2.608) 3.557 3.253 ( 1.729 0.421 -1.537) 2.352 3.300 ( 0.478 -2.241 -1.066) 2.527 3.333 ( 0.210 -2.485 -1.123) 2.735 3.536 ( 3.890 5.995 -0.709) 7.181 3.607 ( -3.631 4.247 1.146) 5.704 3.705 ( 3.215 1.452 -2.227) 4.171 3.766 ( -1.695 0.395 -2.309) 2.891 3.874 ( 5.614 1.977 -0.162) 5.954 3.917 ( 1.892 0.700 -0.556) 2.092 4.009 ( -2.094 -3.110 4.187) 5.620 4.187 ( -3.219 -1.314 -6.933) 7.756 4.485 ( 1.376 -6.123 5.779) 8.531 4.566 ( -0.366 1.323 2.222) 2.611 4.620 ( 0.858 -4.424 2.464) 5.136 4.663 ( 4.366 -5.718 -1.378) 7.325 4.726 ( -4.606 -6.145 -0.065) 7.680 4.770 ( 0.332 0.667 -8.897) 8.928 5.039 ( -5.009 -3.553 5.076) 7.967 5.113 ( 7.904 -2.600 -7.604) 11.272 5.194 ( 0.260 0.699 4.588) 4.648 5.265 ( 3.248 2.834 -0.896) 4.403 5.347 ( 3.878 5.057 -1.563) 6.562 5.439 ( -12.396 3.558 -6.136) 14.282 5.604 ( 9.038 0.284 -0.921) 9.089 5.664 ( 4.952 -0.179 -0.315) 4.965 5.803 ( 3.067 -0.844 2.204) 3.870 5.930 ( -2.654 2.806 -1.066) 4.006 6.097 ( -1.975 -4.426 3.199) 5.807 6.201 ( -7.516 -3.677 -0.287) 8.372 6.268 ( 6.933 -2.149 1.164) 7.351 6.457 ( -10.993 1.424 0.917) 11.122 6.486 ( -6.541 3.308 4.294) 8.495 6.619 ( 2.050 4.559 -8.591) 9.940 6.884 ( -2.871 1.174 2.006) 3.694 7.100 ( -15.582 -4.372 -9.215) 18.624 7.383 ( -9.045 -0.184 5.995) 10.853 7.491 ( 3.256 1.856 -8.691) 9.464 8.082 ( 2.999 -6.681 3.131) 7.965 8.169 ( -4.220 -7.696 0.690) 8.804 8.269 ( 3.689 -1.643 5.374) 6.722 8.401 ( 2.565 -2.701 -4.833) 6.102 8.642 ( 7.424 1.872 3.331) 8.350 8.779 ( -4.551 -1.648 0.126) 4.842 8.877 ( -4.959 0.848 6.999) 8.620 8.942 ( 4.446 3.841 -5.026) 7.732 9.271 ( -4.858 -14.126 4.212) 15.520 9.351 ( -9.249 -2.385 1.403) 9.654 10.016 ( -6.363 -14.407 10.494) 18.925 10.129 ( 8.763 -11.915 -6.880) 16.313 10.465 ( 6.562 -2.727 -1.580) 7.279 10.519 ( -0.467 -3.549 3.056) 4.707 10.556 ( 5.021 3.700 -2.129) 6.590 10.713 ( -6.963 6.841 -2.527) 10.083 10.874 ( 5.657 1.413 4.981) 7.669 11.014 ( -4.165 -2.828 1.550) 5.267 11.135 ( -2.179 0.464 -3.239) 3.931 11.319 ( -9.440 -3.232 -1.080) 10.036 11.694 ( 6.251 -1.610 -0.008) 6.455 11.773 ( 2.224 1.459 -0.826) 2.785 11.852 ( -11.868 -1.662 -0.612) 11.999 11.965 ( -13.576 -6.384 0.234) 15.004 12.491 ( -0.570 -0.267 1.071) 1.243 12.492 ( 1.239 0.922 -0.510) 1.626 13.378 ( -0.236 -2.572 1.182) 2.840 13.412 ( 3.360 -0.836 -3.423) 4.869 16.456 ( 11.017 -7.746 -6.648) 15.019 16.602 ( -28.226 -26.457 10.348) 40.047 17.889 ( -0.230 5.966 0.375) 5.982 17.910 ( -3.492 4.905 1.742) 6.268 18.051 ( 20.184 7.201 -1.313) 21.470 18.561 ( -26.127 10.930 -12.129) 30.809 19.385 ( 8.510 -2.498 3.327) 9.473 19.582 ( -8.550 -12.956 0.911) 15.549 19.752 ( 6.782 0.963 -3.330) 7.617 19.775 ( 1.667 -6.654 1.415) 7.004 20.050 ( 5.738 0.612 1.867) 6.066 20.090 ( 1.165 -3.480 0.242) 3.678 20.313 ( -6.667 5.389 4.410) 9.640 20.708 ( -20.935 14.993 -13.935) 29.279 21.808 ( 1.443 -4.522 7.481) 8.860 21.932 ( -1.718 -2.714 -1.204) 3.431 22.392 ( -0.152 -4.102 1.247) 4.290 22.430 ( 2.721 1.017 -3.539) 4.578 22.768 ( 0.281 -0.544 7.445) 7.470 22.928 ( 2.091 1.688 -5.305) 5.947 23.159 ( 3.464 8.864 5.152) 10.822 23.418 ( 10.415 14.009 -14.509) 22.698 ======================= Grid point 118 (42/86) ======================= q-point: ( 0.10 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.660 ( 14.561 -0.000 14.468) 20.527 0.722 ( -1.522 0.000 24.093) 24.141 0.857 ( 11.601 -0.000 -15.240) 19.153 0.927 ( 16.008 -0.000 -11.295) 19.592 1.026 ( 36.038 -0.000 12.516) 38.150 1.543 ( 20.050 -0.000 -21.959) 29.735 1.885 ( 1.424 -0.000 -7.065) 7.207 2.062 ( 6.714 -0.000 8.599) 10.910 2.173 ( 5.060 -0.000 6.955) 8.600 2.343 ( 9.402 -0.000 -4.397) 10.379 2.691 ( 3.005 -0.000 5.477) 6.247 2.714 ( -0.972 0.000 2.350) 2.543 2.864 ( -5.684 0.000 5.296) 7.770 2.889 ( -6.757 0.000 -1.076) 6.842 3.140 ( -2.317 0.000 5.196) 5.689 3.206 ( 4.687 -0.000 -3.244) 5.700 3.242 ( -1.528 0.000 -5.545) 5.752 3.389 ( 0.674 -0.000 -2.027) 2.136 3.476 ( 3.579 -0.000 1.318) 3.814 3.527 ( 4.244 -0.000 -4.215) 5.982 3.583 ( -1.705 0.000 5.357) 5.622 3.755 ( -6.176 0.000 1.697) 6.405 3.866 ( 4.148 -0.000 -4.414) 6.057 3.912 ( -1.719 0.000 2.672) 3.177 4.062 ( -1.954 0.000 5.105) 5.466 4.283 ( 8.410 -0.000 -10.092) 13.136 4.475 ( -2.438 0.000 5.172) 5.718 4.528 ( -8.705 0.000 3.565) 9.407 4.631 ( -4.044 0.000 -4.910) 6.361 4.723 ( -1.139 0.000 -3.092) 3.295 4.770 ( 6.574 -0.000 0.019) 6.574 4.774 ( -5.897 0.000 3.060) 6.643 4.981 ( 2.080 -0.000 3.015) 3.663 5.053 ( -5.053 0.000 1.622) 5.307 5.055 ( -3.350 0.000 3.707) 4.996 5.242 ( -3.165 0.000 -2.329) 3.930 5.355 ( -2.141 0.000 4.819) 5.274 5.467 ( 13.206 -0.000 -11.474) 17.494 5.517 ( -12.350 0.000 -1.597) 12.453 5.600 ( -6.131 0.000 1.011) 6.213 5.841 ( -3.374 0.000 3.974) 5.213 5.881 ( 0.512 -0.000 -3.573) 3.609 6.184 ( -1.045 0.000 -0.608) 1.209 6.246 ( -9.503 0.000 3.734) 10.210 6.380 ( 3.451 -0.000 -0.258) 3.461 6.417 ( 12.550 -0.000 3.538) 13.039 6.536 ( 9.059 -0.000 -1.172) 9.134 6.553 ( 11.701 -0.000 -6.330) 13.304 6.997 ( 3.529 -0.000 10.459) 11.039 7.206 ( 25.115 -0.000 -12.719) 28.152 7.315 ( 5.144 -0.000 1.290) 5.303 7.559 ( 6.083 -0.000 -4.685) 7.679 8.034 ( -12.518 0.000 4.938) 13.457 8.282 ( 3.574 -0.000 1.155) 3.756 8.404 ( 5.512 -0.000 -6.919) 8.846 8.456 ( -0.144 0.000 -4.505) 4.507 8.638 ( -13.842 0.000 7.207) 15.606 8.689 ( -6.737 0.000 -4.310) 7.998 8.920 ( 15.549 -0.000 -8.444) 17.694 9.112 ( 10.658 -0.000 -9.018) 13.961 9.236 ( -9.101 0.000 16.162) 18.548 9.264 ( -2.816 0.000 10.525) 10.895 10.000 ( -12.492 0.000 5.959) 13.841 10.316 ( -7.057 0.000 4.500) 8.369 10.386 ( -11.776 0.000 -1.735) 11.903 10.455 ( -7.260 0.000 -0.922) 7.319 10.575 ( 4.084 -0.000 0.429) 4.106 10.603 ( 1.219 -0.000 2.116) 2.442 10.787 ( 1.155 -0.000 4.621) 4.764 11.089 ( 5.182 -0.000 3.542) 6.277 11.092 ( 5.509 -0.000 1.180) 5.633 11.382 ( 10.693 -0.000 5.168) 11.876 11.683 ( -8.150 0.000 -2.176) 8.436 11.722 ( -3.139 0.000 0.225) 3.147 12.009 ( 22.568 -0.000 1.911) 22.649 12.325 ( 15.720 -0.000 -11.389) 19.412 12.465 ( -0.527 0.000 0.010) 0.527 12.533 ( 7.819 -0.000 -2.882) 8.333 13.372 ( -2.002 0.000 -0.194) 2.012 13.384 ( -2.744 0.000 0.384) 2.770 16.209 ( -6.673 0.000 9.113) 11.295 17.001 ( 1.433 -0.000 17.117) 17.177 17.818 ( 1.097 -0.000 0.673) 1.287 17.822 ( 2.591 -0.000 -1.064) 2.801 18.127 ( 12.530 -0.000 -2.060) 12.699 18.361 ( 12.742 -0.000 -7.106) 14.590 19.404 ( -12.063 0.000 -2.381) 12.296 19.494 ( -17.523 0.000 -0.821) 17.542 19.885 ( 5.319 -0.000 -0.611) 5.354 19.952 ( -0.751 0.000 0.644) 0.989 20.083 ( -3.679 0.000 1.914) 4.147 20.223 ( 30.408 -0.000 -18.063) 35.368 20.387 ( 13.410 -0.000 3.924) 13.972 20.467 ( 21.535 -0.000 6.689) 22.550 21.967 ( 0.052 -0.000 0.081) 0.097 21.975 ( 1.337 -0.000 -0.163) 1.347 22.408 ( 0.103 -0.000 1.290) 1.294 22.414 ( -0.306 0.000 -2.638) 2.656 22.750 ( -17.956 0.000 6.698) 19.165 22.897 ( -3.056 0.000 1.622) 3.460 22.953 ( -4.569 0.000 3.560) 5.792 23.031 ( -6.101 0.000 -0.834) 6.158 ======================= Grid point 119 (43/86) ======================= q-point: ( 0.20 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 15.059 -0.422 9.740) 17.939 0.997 ( 14.858 -4.079 -10.635) 18.722 1.051 ( 9.828 -12.396 0.312) 15.822 1.105 ( 13.566 -8.189 2.519) 16.045 1.478 ( 30.372 -12.682 7.925) 33.854 1.693 ( 17.720 -4.356 -8.198) 20.005 1.929 ( 10.771 -0.281 -6.586) 12.628 2.160 ( 8.985 -2.772 2.243) 9.666 2.261 ( 5.500 -2.204 6.666) 8.919 2.446 ( 3.242 -3.555 -1.431) 5.019 2.635 ( -0.957 1.719 -1.832) 2.689 2.732 ( -1.864 0.646 1.871) 2.719 2.797 ( 7.454 -0.452 0.478) 7.483 2.895 ( -0.531 -1.824 -0.225) 1.913 3.034 ( -5.322 3.259 0.146) 6.242 3.243 ( 4.847 1.607 -1.777) 5.407 3.299 ( -5.286 -1.959 -0.420) 5.653 3.382 ( -3.120 -0.070 1.049) 3.293 3.464 ( 3.368 -1.027 -3.819) 5.194 3.583 ( -2.031 -2.623 1.935) 3.841 3.662 ( -0.948 -0.773 0.658) 1.389 3.726 ( -6.982 -4.236 0.720) 8.198 3.844 ( 1.956 4.055 -1.376) 4.708 3.873 ( -2.400 3.861 0.154) 4.548 4.093 ( 0.701 -3.542 2.344) 4.305 4.251 ( 1.232 4.856 -4.751) 6.904 4.402 ( -10.927 3.667 3.271) 11.981 4.437 ( -6.353 3.083 2.388) 7.455 4.522 ( -1.855 2.136 -0.447) 2.864 4.652 ( -4.988 5.486 0.851) 7.463 4.746 ( 1.158 1.924 -1.032) 2.471 4.846 ( 3.538 -1.698 -2.099) 4.450 4.914 ( -0.306 4.545 0.125) 4.557 5.060 ( -0.752 -4.670 1.187) 4.877 5.125 ( -3.337 -3.793 1.623) 5.307 5.236 ( -5.373 -2.456 0.598) 5.938 5.326 ( -10.229 1.234 4.536) 11.258 5.438 ( -6.297 -1.252 -0.442) 6.436 5.532 ( 6.706 0.704 -9.488) 11.640 5.584 ( -6.201 -3.685 -0.240) 7.218 5.823 ( 0.086 -0.761 2.081) 2.218 5.904 ( -2.056 -3.050 -2.220) 4.296 6.138 ( -5.867 2.484 1.729) 6.602 6.172 ( 0.886 1.606 0.801) 2.001 6.387 ( 6.191 1.502 0.184) 6.374 6.516 ( 9.005 -0.015 0.799) 9.041 6.608 ( 9.766 -1.731 0.775) 9.948 6.770 ( 12.936 -6.466 -9.036) 17.052 7.031 ( 1.526 1.026 9.657) 9.831 7.255 ( 11.971 5.721 -5.602) 14.402 7.381 ( 12.898 2.559 -3.328) 13.564 7.592 ( 4.662 0.370 -3.208) 5.671 7.948 ( -9.614 0.265 3.889) 10.374 8.184 ( 3.973 8.840 2.536) 10.018 8.337 ( -2.857 10.670 1.468) 11.143 8.403 ( -5.204 4.720 -5.782) 9.099 8.547 ( -2.415 -6.364 -2.166) 7.143 8.717 ( -6.312 -4.635 1.286) 7.936 8.970 ( 9.040 4.313 -4.772) 11.095 9.104 ( -2.605 4.192 11.121) 12.167 9.214 ( 10.408 2.345 -3.751) 11.309 9.243 ( -0.724 1.908 8.888) 9.120 9.876 ( 0.083 3.821 1.425) 4.079 10.188 ( -8.614 7.368 -1.792) 11.476 10.365 ( -5.796 -0.097 1.133) 5.907 10.397 ( -8.623 -5.252 -2.699) 10.451 10.529 ( 1.193 3.040 1.311) 3.519 10.711 ( 0.430 -2.902 3.918) 4.895 10.855 ( 2.404 -4.864 0.913) 5.502 11.118 ( 6.853 2.610 2.675) 7.806 11.164 ( 5.997 -1.132 -0.075) 6.103 11.409 ( -1.024 1.167 -2.396) 2.855 11.627 ( -1.899 0.603 1.090) 2.271 11.710 ( -4.263 -1.493 -0.336) 4.529 12.115 ( 21.495 9.200 2.749) 23.542 12.269 ( 13.034 9.848 -3.851) 16.784 12.471 ( 0.419 0.754 0.401) 0.952 12.522 ( 3.778 4.091 -0.944) 5.648 13.337 ( -2.817 1.353 -0.589) 3.180 13.367 ( -3.974 1.260 -0.698) 4.226 16.200 ( 0.257 0.468 3.539) 3.579 16.811 ( -5.067 15.266 5.847) 17.115 17.824 ( -1.829 -2.876 0.015) 3.408 17.943 ( 6.289 -4.844 0.835) 7.982 18.040 ( 7.938 1.225 -1.544) 8.179 18.782 ( 10.513 -11.231 0.599) 15.395 19.271 ( -9.944 2.366 -1.002) 10.270 19.509 ( -15.857 -11.518 -0.211) 19.600 19.728 ( 3.686 15.500 -0.108) 15.933 19.857 ( 1.028 9.883 -1.951) 10.126 19.966 ( -3.667 5.700 0.630) 6.807 20.294 ( 19.600 8.181 -9.644) 23.326 20.499 ( 14.298 0.213 2.389) 14.498 20.855 ( 18.146 -13.967 4.942) 23.426 21.865 ( -0.227 3.796 -0.665) 3.861 21.952 ( 3.206 2.498 1.088) 4.207 22.338 ( -2.648 4.752 -0.185) 5.444 22.479 ( 1.415 -0.729 -3.574) 3.912 22.704 ( -8.476 -3.190 7.910) 12.025 22.862 ( -2.490 -3.802 -3.820) 5.937 23.087 ( -10.438 -12.342 0.323) 16.167 23.130 ( -9.889 -11.729 1.190) 15.388 ======================= Grid point 120 (44/86) ======================= q-point: ( 0.30 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.924 ( 18.494 -3.668 -3.588) 19.193 1.136 ( 13.256 -2.988 -5.411) 14.626 1.258 ( 11.359 -6.253 -5.625) 14.134 1.492 ( 5.647 -16.032 13.956) 21.993 1.841 ( 6.721 -8.118 0.295) 10.544 1.945 ( 7.477 0.206 3.174) 8.125 2.076 ( 21.137 -11.001 0.357) 23.831 2.242 ( 7.155 -1.457 0.811) 7.346 2.386 ( 2.730 -2.608 6.433) 7.459 2.574 ( 9.847 -10.222 -11.496) 18.265 2.629 ( 4.913 3.352 -4.394) 7.394 2.798 ( 4.603 -3.698 -1.536) 6.100 2.880 ( -1.403 -1.462 -1.395) 2.460 2.907 ( 0.096 -3.843 4.031) 5.570 3.046 ( 5.046 -2.562 -1.037) 5.753 3.174 ( -5.498 2.600 0.700) 6.122 3.263 ( -1.999 0.953 -0.345) 2.241 3.329 ( -4.060 2.708 1.469) 5.096 3.533 ( -2.351 -5.145 -0.876) 5.724 3.578 ( -1.901 4.303 -1.280) 4.875 3.644 ( -2.920 -2.168 2.179) 4.239 3.710 ( -2.175 4.453 0.499) 4.981 3.758 ( -3.558 2.237 -0.622) 4.249 3.785 ( -1.736 1.337 -1.538) 2.677 4.081 ( -4.780 4.587 -0.073) 6.625 4.143 ( -3.307 4.228 2.053) 5.747 4.305 ( 0.432 5.546 -0.020) 5.563 4.321 ( -8.924 -1.537 -0.429) 9.066 4.506 ( -4.959 0.797 4.565) 6.787 4.579 ( -0.329 -3.002 0.816) 3.128 4.687 ( 0.596 4.668 -5.065) 6.914 4.797 ( -3.514 0.988 0.296) 3.663 4.945 ( 4.509 -2.742 -2.524) 5.850 5.089 ( -3.042 1.977 1.144) 3.804 5.154 ( -4.764 -1.752 6.248) 8.050 5.207 ( -4.189 1.598 -0.885) 4.570 5.265 ( -6.522 -3.831 -0.016) 7.564 5.434 ( -4.163 -2.079 1.486) 4.885 5.535 ( 3.438 0.249 -5.046) 6.111 5.606 ( -7.225 -3.729 1.144) 8.211 5.903 ( 3.775 -4.010 0.397) 5.522 5.932 ( -1.749 -1.691 -1.620) 2.923 6.074 ( -2.660 0.382 -0.927) 2.843 6.159 ( 3.090 1.254 1.786) 3.782 6.413 ( 7.893 1.871 -0.592) 8.133 6.602 ( 9.128 -0.716 -0.113) 9.156 6.687 ( 3.837 -0.254 2.050) 4.358 6.905 ( 12.502 1.632 -9.441) 15.751 7.028 ( -1.353 1.519 6.791) 7.089 7.132 ( 12.544 14.108 -4.560) 19.421 7.440 ( 2.864 -1.426 0.733) 3.283 7.604 ( 1.806 0.379 -0.706) 1.976 7.880 ( -7.203 1.302 3.984) 8.334 8.071 ( 8.309 8.119 2.219) 11.827 8.184 ( -1.027 4.843 -3.490) 6.057 8.251 ( -4.375 3.301 -0.832) 5.544 8.605 ( -3.259 -2.585 -4.571) 6.180 8.756 ( -4.579 -2.858 2.473) 5.938 8.872 ( -2.814 7.109 5.578) 9.464 8.979 ( -0.557 9.373 0.028) 9.390 9.212 ( -3.932 -0.342 12.239) 12.859 9.311 ( 12.562 -1.766 -9.213) 15.678 9.862 ( 4.029 0.283 -1.970) 4.494 10.012 ( -3.412 3.965 -1.029) 5.331 10.329 ( -5.729 -1.469 -3.325) 6.785 10.422 ( -4.149 -2.663 2.688) 5.615 10.513 ( 2.180 0.367 0.667) 2.309 10.743 ( -3.351 -1.449 3.908) 5.348 10.965 ( 5.487 -2.212 -0.921) 5.988 11.108 ( 5.864 4.234 1.978) 7.499 11.193 ( 4.083 2.499 -1.519) 5.023 11.360 ( 1.713 2.786 -2.465) 4.096 11.601 ( -1.950 1.659 0.119) 2.563 11.708 ( -2.887 -1.191 0.386) 3.147 12.045 ( 13.027 10.335 0.413) 16.634 12.189 ( 16.361 11.712 -0.333) 20.124 12.450 ( -1.224 -0.295 0.907) 1.551 12.499 ( -1.473 -1.239 -0.476) 1.983 13.251 ( -3.931 6.372 -0.025) 7.487 13.273 ( -4.392 2.665 -0.763) 5.194 16.196 ( -0.364 0.622 1.865) 1.999 16.524 ( -3.698 10.317 -0.251) 10.963 17.875 ( -2.417 -4.081 -0.212) 4.748 18.095 ( 6.288 -5.755 0.693) 8.552 18.164 ( 4.768 -6.333 -0.666) 7.955 18.889 ( 3.543 2.767 2.378) 5.086 19.119 ( -9.006 6.189 -1.015) 10.974 19.463 ( 4.241 13.118 -0.745) 13.807 19.553 ( -7.623 0.549 -1.096) 7.721 19.661 ( 3.314 9.338 3.787) 10.608 19.860 ( -6.537 0.807 -1.397) 6.733 20.234 ( 8.184 7.125 -5.027) 11.959 20.632 ( 14.042 -1.895 0.793) 14.191 21.220 ( 10.338 -10.792 3.821) 15.426 21.850 ( 0.144 -1.776 -2.795) 3.315 21.981 ( 4.369 -1.482 1.118) 4.747 22.203 ( -3.878 5.844 0.282) 7.019 22.417 ( -0.292 5.792 -3.040) 6.548 22.758 ( -3.307 -5.204 7.102) 9.405 22.946 ( -0.326 -5.894 -5.687) 8.197 23.197 ( -9.549 -6.794 3.291) 12.172 23.246 ( -10.039 -8.590 -1.611) 13.310 ======================= Grid point 121 (45/86) ======================= q-point: ( 0.40 0.10 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 13.945 -2.392 -5.738) 15.268 1.301 ( 5.199 -3.967 3.731) 7.529 1.504 ( 10.355 -11.770 -1.329) 15.733 1.767 ( 5.331 -4.101 7.235) 9.878 1.984 ( -1.926 -9.824 -0.101) 10.011 2.061 ( 9.727 -4.304 -3.460) 11.185 2.290 ( 5.064 -2.051 1.038) 5.561 2.394 ( -1.080 1.215 0.153) 1.632 2.506 ( 15.211 -7.604 -2.327) 17.165 2.575 ( 2.839 1.985 0.592) 3.514 2.759 ( -0.112 -0.142 -0.852) 0.871 2.813 ( -3.734 1.950 2.160) 4.734 2.914 ( 5.647 -1.043 -3.244) 6.595 3.028 ( 0.783 -5.335 -0.456) 5.412 3.080 ( 2.598 -4.011 -1.165) 4.919 3.199 ( -4.504 0.207 2.096) 4.972 3.233 ( 3.516 -4.420 -1.842) 5.941 3.300 ( -1.868 -1.492 3.194) 3.990 3.423 ( 1.526 6.785 -3.053) 7.595 3.581 ( -2.848 3.853 0.007) 4.791 3.614 ( -5.133 -1.921 -0.013) 5.480 3.668 ( -2.139 -1.816 1.492) 3.178 3.720 ( 2.121 2.877 -1.375) 3.830 3.768 ( -2.612 -2.870 -1.575) 4.188 3.993 ( -3.554 0.584 0.039) 3.602 4.024 ( -6.050 3.973 5.274) 8.956 4.183 ( -2.788 3.810 1.652) 5.002 4.318 ( -3.355 -0.588 -0.614) 3.460 4.423 ( -5.853 1.944 1.281) 6.299 4.611 ( -0.401 -0.777 -8.104) 8.151 4.696 ( 3.331 -3.312 -1.540) 4.943 4.771 ( -5.889 -1.298 3.197) 6.825 5.018 ( 1.690 -0.109 -3.321) 3.728 5.023 ( -3.930 -0.043 3.337) 5.156 5.137 ( -6.422 -1.551 3.702) 7.573 5.175 ( 0.888 0.045 0.821) 1.211 5.290 ( -1.380 -1.666 -1.385) 2.569 5.464 ( -1.244 -2.815 0.828) 3.187 5.562 ( 1.203 -1.353 0.619) 1.913 5.632 ( -3.672 -3.454 0.251) 5.048 5.869 ( -2.093 3.830 -1.539) 4.628 6.024 ( 0.188 -4.096 -0.423) 4.122 6.108 ( 3.341 -3.175 0.223) 4.614 6.184 ( 4.462 -0.342 1.260) 4.649 6.429 ( 8.933 3.532 -1.894) 9.791 6.641 ( 3.372 4.680 3.585) 6.792 6.697 ( 3.720 1.768 -1.765) 4.481 6.841 ( 8.513 9.775 -8.590) 15.550 6.930 ( -0.460 5.416 3.775) 6.617 7.065 ( 3.036 1.010 1.385) 3.487 7.446 ( -1.665 1.053 -0.892) 2.163 7.594 ( -2.542 1.269 2.715) 3.930 7.812 ( -3.645 1.055 0.606) 3.842 7.968 ( 3.709 8.657 -1.217) 9.497 8.077 ( 5.673 5.008 -0.803) 7.610 8.282 ( 3.421 -4.387 -2.617) 6.148 8.573 ( -3.218 2.575 -1.651) 4.440 8.691 ( -6.106 10.164 3.238) 12.292 8.733 ( -3.762 1.526 -0.193) 4.064 8.850 ( -7.358 -2.378 5.185) 9.310 9.224 ( 0.363 0.111 6.535) 6.546 9.418 ( 10.877 -0.884 -9.009) 14.152 9.861 ( 0.760 1.831 -0.182) 1.991 10.009 ( 0.227 -4.437 -0.051) 4.444 10.334 ( -1.426 -2.907 -4.144) 5.259 10.445 ( 0.120 -0.387 2.765) 2.795 10.542 ( -1.766 -3.024 1.468) 3.797 10.744 ( -5.653 -1.888 2.087) 6.315 10.981 ( 6.406 5.666 -1.688) 8.717 11.075 ( 4.370 3.742 1.160) 5.869 11.162 ( 2.938 2.085 0.950) 3.726 11.290 ( 6.850 8.591 -2.075) 11.182 11.531 ( -2.272 3.199 -1.007) 4.051 11.695 ( -1.801 1.156 0.697) 2.251 11.983 ( 6.236 3.832 0.369) 7.329 12.076 ( 10.120 9.992 -0.112) 14.222 12.490 ( -0.689 -3.914 0.258) 3.982 12.545 ( 0.470 -4.051 0.012) 4.078 13.069 ( -4.821 8.166 -0.184) 9.485 13.180 ( -3.906 3.435 -0.278) 5.209 16.182 ( -1.481 0.326 0.991) 1.812 16.352 ( -3.052 5.156 -0.724) 6.036 17.939 ( -0.778 -3.938 -0.312) 4.026 18.238 ( 1.888 -4.618 1.275) 5.150 18.323 ( 3.673 -6.771 -1.112) 7.783 18.832 ( -1.347 3.886 1.784) 4.483 18.904 ( -1.503 9.637 -1.197) 9.827 19.309 ( 0.916 5.211 -0.294) 5.300 19.450 ( -0.242 3.995 0.062) 4.003 19.523 ( 2.131 9.008 -0.243) 9.260 19.802 ( -1.474 3.043 1.775) 3.819 20.143 ( -3.663 3.109 -2.370) 5.357 20.795 ( 13.009 -3.405 0.042) 13.448 21.455 ( 4.096 -7.183 2.144) 8.543 21.896 ( -0.032 -3.059 -2.254) 3.800 22.017 ( 1.173 3.349 0.353) 3.566 22.095 ( -1.502 1.142 1.739) 2.565 22.283 ( -0.869 5.941 -3.000) 6.711 22.860 ( -0.583 -5.102 5.056) 7.206 23.034 ( 0.342 -4.127 -4.506) 6.120 23.229 ( -6.355 -3.215 1.771) 7.339 23.305 ( -7.261 -5.357 -0.576) 9.042 ======================= Grid point 122 (46/86) ======================= q-point: ( 0.50 0.10 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.215 ( 6.247 -2.821 2.363) 7.251 1.433 ( 2.612 -6.586 0.338) 7.093 1.719 ( 5.451 -0.089 -2.862) 6.157 1.927 ( 7.917 -8.323 2.734) 11.808 2.057 ( -2.946 1.775 -2.281) 4.127 2.160 ( 7.047 3.344 -6.374) 10.073 2.294 ( 3.383 3.733 3.077) 5.903 2.404 ( -5.080 -4.128 4.170) 7.761 2.511 ( -3.719 -1.071 -1.014) 4.001 2.702 ( -3.063 1.155 0.820) 3.374 2.722 ( -2.496 -2.321 -1.423) 3.693 2.807 ( 8.859 -5.140 0.887) 10.280 2.936 ( 2.135 1.012 -1.914) 3.041 3.076 ( -1.590 -0.733 0.800) 1.925 3.121 ( -1.000 0.961 0.294) 1.418 3.212 ( -3.192 -2.546 3.610) 5.450 3.239 ( 1.972 6.365 -1.717) 6.881 3.388 ( -1.267 -1.784 3.027) 3.735 3.436 ( 7.602 -4.888 -5.956) 10.823 3.480 ( -3.312 4.271 0.710) 5.452 3.550 ( -1.557 0.630 -0.101) 1.683 3.640 ( 0.113 2.994 -0.906) 3.130 3.744 ( 0.574 -0.569 0.664) 1.046 3.815 ( -1.321 -3.682 -0.422) 3.935 3.927 ( -5.567 -2.016 1.001) 6.004 4.032 ( -1.187 -3.719 0.093) 3.905 4.108 ( -0.628 3.377 1.906) 3.929 4.300 ( -5.107 -1.701 1.724) 5.652 4.421 ( -0.645 -3.907 -1.949) 4.413 4.623 ( -0.795 -1.591 -4.214) 4.574 4.713 ( -2.033 1.340 -0.898) 2.595 4.765 ( -3.883 -2.305 0.958) 4.616 4.967 ( -1.455 2.027 -0.704) 2.593 5.078 ( 5.885 -2.189 4.563) 7.762 5.133 ( -6.067 -0.946 0.236) 6.145 5.203 ( 5.512 0.046 -0.717) 5.558 5.325 ( -1.850 -4.838 -1.244) 5.327 5.515 ( 1.138 -2.094 -0.095) 2.386 5.597 ( 0.689 -0.466 4.109) 4.192 5.658 ( -3.451 -1.327 0.188) 3.702 5.778 ( 1.010 4.174 -2.077) 4.771 6.077 ( -1.840 -2.639 -2.241) 3.921 6.163 ( -1.776 -0.321 2.457) 3.049 6.248 ( 5.475 -1.698 0.032) 5.732 6.390 ( 5.169 7.234 -1.184) 8.969 6.506 ( 2.637 9.386 -0.510) 9.762 6.641 ( 0.754 4.166 -1.072) 4.368 6.755 ( 0.738 2.530 -0.474) 2.678 6.878 ( -3.042 -0.325 1.078) 3.244 7.065 ( 1.278 1.654 0.101) 2.093 7.400 ( -1.621 0.969 -1.034) 2.153 7.542 ( -3.862 0.681 2.739) 4.783 7.777 ( -4.273 0.347 -0.755) 4.353 7.845 ( 1.411 5.639 -0.595) 5.844 8.041 ( 7.509 3.679 -3.081) 8.912 8.378 ( -9.080 10.215 5.162) 14.610 8.418 ( 8.630 -5.085 -3.560) 10.631 8.584 ( 2.124 -0.278 -3.870) 4.423 8.700 ( -3.449 -0.938 1.926) 4.060 8.891 ( -6.190 -4.634 8.434) 11.442 9.234 ( 4.162 1.785 1.879) 4.903 9.455 ( 6.258 2.196 -7.723) 10.180 9.847 ( 1.785 0.075 -0.162) 1.793 10.112 ( -1.513 -5.103 0.901) 5.398 10.379 ( -0.554 -2.653 -2.619) 3.769 10.442 ( -0.368 1.016 1.330) 1.714 10.611 ( -2.676 -5.326 2.442) 6.441 10.732 ( -6.160 -1.386 -0.883) 6.376 10.910 ( 4.569 4.186 0.513) 6.218 11.015 ( 1.153 4.761 1.255) 5.057 11.137 ( 9.645 12.078 -3.804) 15.918 11.162 ( 4.676 2.637 2.077) 5.756 11.462 ( -1.315 1.622 -1.044) 2.335 11.645 ( -2.737 1.810 1.006) 3.432 11.982 ( 2.772 1.355 0.758) 3.177 11.990 ( 4.277 4.523 -0.731) 6.268 12.567 ( 0.162 -3.760 -0.094) 3.765 12.656 ( 2.383 -5.859 0.397) 6.338 12.878 ( -3.836 7.699 -0.161) 8.603 13.090 ( -3.566 2.167 -0.268) 4.181 16.169 ( -2.179 -0.443 0.670) 2.322 16.260 ( -2.332 2.252 -0.610) 3.299 18.009 ( 1.142 -3.048 -0.203) 3.261 18.314 ( -2.544 -3.925 2.137) 5.143 18.450 ( 2.182 -3.260 -3.068) 4.980 18.698 ( -3.210 5.288 0.177) 6.189 18.824 ( 4.506 1.991 2.366) 5.465 19.245 ( 2.161 4.193 -3.228) 5.715 19.378 ( 2.148 6.052 2.307) 6.824 19.407 ( 1.234 1.054 -1.341) 2.105 19.714 ( 0.192 5.616 1.451) 5.804 20.058 ( -11.076 -1.016 -0.504) 11.134 20.951 ( 12.820 -1.533 -0.159) 12.912 21.580 ( -0.734 -4.169 1.219) 4.405 21.923 ( -1.301 3.800 -0.289) 4.027 21.945 ( -0.834 -2.610 -2.174) 3.497 22.074 ( 0.253 2.654 2.949) 3.975 22.198 ( 0.135 1.909 -2.449) 3.108 22.956 ( 0.844 -3.751 2.125) 4.393 23.076 ( -1.069 -0.894 -0.832) 1.623 23.250 ( -1.563 -2.544 -0.572) 3.040 23.345 ( -3.940 -3.701 0.144) 5.407 ======================= Grid point 123 (47/86) ======================= q-point: (-0.40 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( 1.115 -4.333 8.054) 9.214 1.546 ( 3.223 0.027 -2.439) 4.042 1.632 ( 3.569 8.807 -8.446) 12.713 1.855 ( -5.315 10.341 1.737) 11.756 2.087 ( -0.135 5.502 4.642) 7.200 2.133 ( -2.256 0.173 -2.991) 3.750 2.184 ( 4.227 3.762 -1.659) 5.897 2.450 ( -5.274 -3.076 3.656) 7.116 2.536 ( -2.191 -2.954 -3.694) 5.213 2.654 ( -6.922 -0.619 0.858) 7.003 2.823 ( 3.327 -3.124 0.184) 4.567 2.854 ( 2.850 3.309 0.218) 4.373 3.002 ( -0.278 -3.866 -1.076) 4.022 3.018 ( 1.203 11.113 -0.335) 11.183 3.096 ( -2.066 -2.303 0.842) 3.207 3.131 ( 1.506 -2.847 -2.119) 3.855 3.223 ( -3.387 0.711 4.493) 5.671 3.323 ( -3.351 0.089 2.137) 3.976 3.463 ( -1.257 3.769 2.334) 4.607 3.497 ( 0.023 0.033 -2.706) 2.706 3.554 ( 3.105 -1.607 -3.420) 4.891 3.620 ( 0.246 -0.178 -1.342) 1.376 3.770 ( 3.050 -2.904 -0.843) 4.295 3.844 ( -3.355 -0.843 3.363) 4.825 3.982 ( -0.072 -3.037 0.364) 3.059 4.045 ( -1.350 3.297 1.259) 3.779 4.110 ( 2.584 -4.405 -5.621) 7.594 4.323 ( -2.116 -3.550 1.999) 4.590 4.502 ( 1.409 -3.148 1.033) 3.601 4.631 ( -2.452 -0.995 0.543) 2.701 4.649 ( -2.931 1.323 0.047) 3.216 4.819 ( 0.625 -3.462 -2.272) 4.188 4.949 ( 2.779 0.058 -0.100) 2.782 5.077 ( -5.195 1.123 1.028) 5.414 5.153 ( 11.940 2.214 -0.025) 12.143 5.284 ( 4.616 -3.625 1.230) 5.997 5.427 ( -5.382 -6.774 -0.865) 8.695 5.524 ( -1.119 2.353 -0.222) 2.614 5.602 ( 6.953 4.149 1.487) 8.232 5.623 ( -6.699 -0.360 1.415) 6.856 5.736 ( 2.911 -0.090 -1.061) 3.099 6.092 ( -1.146 -0.902 -1.560) 2.135 6.126 ( -6.723 0.724 -0.727) 6.801 6.208 ( -2.573 9.579 2.405) 10.206 6.292 ( -0.495 0.476 -0.902) 1.133 6.373 ( -2.131 5.148 -1.028) 5.665 6.623 ( 2.964 -1.858 -1.685) 3.883 6.724 ( -1.163 1.158 2.327) 2.848 6.870 ( -5.551 -1.821 1.174) 5.958 6.999 ( -1.513 4.844 -1.893) 5.416 7.404 ( -0.645 -1.961 0.799) 2.214 7.568 ( 2.729 -3.672 0.505) 4.603 7.685 ( -5.533 3.194 -1.465) 6.554 7.801 ( -2.960 -1.107 0.575) 3.213 8.054 ( 6.827 -0.144 -8.209) 10.678 8.163 ( -8.387 5.722 7.202) 12.448 8.580 ( 8.515 -3.933 0.253) 9.383 8.635 ( 7.317 -1.815 -5.332) 9.234 8.720 ( -0.683 -2.010 4.697) 5.154 8.949 ( -4.517 -3.727 8.631) 10.430 9.233 ( 5.436 2.461 -0.865) 6.029 9.415 ( 2.351 2.943 -7.558) 8.444 9.877 ( 3.909 -0.151 -0.471) 3.941 10.142 ( -4.210 0.298 1.530) 4.489 10.384 ( -1.263 1.333 -1.174) 2.180 10.414 ( -3.411 0.353 1.201) 3.634 10.692 ( -2.466 -3.388 1.336) 4.399 10.725 ( -2.753 -3.835 -0.695) 4.771 10.916 ( 3.459 0.934 -1.364) 3.834 10.921 ( -1.816 3.354 0.703) 3.879 11.031 ( 8.389 4.667 -0.692) 9.625 11.130 ( 3.339 3.762 0.947) 5.118 11.458 ( 1.265 -1.307 -0.563) 1.904 11.606 ( -3.859 -0.613 0.800) 3.989 11.936 ( 1.402 3.041 -0.154) 3.352 11.975 ( 0.219 1.475 -0.067) 1.493 12.606 ( 0.263 0.509 0.068) 0.577 12.703 ( -3.054 4.885 -0.504) 5.783 12.821 ( 3.582 -6.196 1.019) 7.229 13.065 ( -2.103 -2.447 -0.635) 3.288 16.169 ( -3.017 -1.356 1.550) 3.653 16.221 ( -1.102 0.195 -1.527) 1.893 18.068 ( 3.590 -1.095 -0.089) 3.755 18.379 ( -5.028 -5.303 2.891) 7.858 18.458 ( 2.110 2.045 -4.551) 5.417 18.605 ( -0.610 4.536 0.757) 4.639 18.869 ( 2.859 -2.369 3.595) 5.168 19.136 ( 0.052 4.590 -4.333) 6.312 19.359 ( 3.670 1.424 2.480) 4.653 19.432 ( 5.110 -1.837 -1.038) 5.529 19.625 ( -3.592 1.650 0.370) 3.970 20.006 ( -13.320 -3.767 0.056) 13.843 21.034 ( 13.225 4.036 -0.077) 13.827 21.590 ( -5.179 1.643 0.510) 5.458 21.883 ( -0.282 -1.302 0.491) 1.419 21.984 ( -1.100 -2.108 -1.845) 3.009 22.046 ( 1.469 0.116 0.666) 1.617 22.163 ( -0.529 1.674 -0.411) 1.803 23.014 ( 0.445 -0.492 0.344) 0.748 23.056 ( -1.135 0.906 0.662) 1.596 23.299 ( 1.249 -2.339 0.302) 2.669 23.390 ( -0.252 -2.953 -0.777) 3.064 ======================= Grid point 124 (48/86) ======================= q-point: (-0.30 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 2.351 18.138 -0.658) 18.301 1.377 ( -3.113 7.227 5.195) 9.430 1.549 ( -4.950 4.480 2.872) 7.267 1.661 ( 0.360 4.620 -2.945) 5.491 1.937 ( -2.382 6.120 -0.813) 6.617 2.077 ( 0.161 0.918 -8.039) 8.093 2.143 ( -0.631 4.854 2.933) 5.706 2.343 ( -10.581 9.283 -1.413) 14.147 2.541 ( -2.589 1.929 1.846) 3.719 2.613 ( -3.925 0.497 -0.742) 4.026 2.692 ( -1.605 8.008 6.724) 10.579 2.876 ( 1.526 -1.038 -2.131) 2.819 2.951 ( -0.474 5.128 -0.300) 5.158 3.006 ( -3.447 1.384 -2.578) 4.522 3.127 ( 2.344 -1.256 -1.213) 2.923 3.179 ( -2.627 -1.875 1.243) 3.459 3.237 ( -0.154 -2.995 2.553) 3.939 3.309 ( 0.859 0.743 -1.911) 2.223 3.439 ( 5.242 -2.398 -1.938) 6.082 3.515 ( 2.820 -1.094 -1.275) 3.283 3.571 ( 0.927 -1.207 -2.080) 2.577 3.650 ( -2.894 -2.648 1.965) 4.387 3.833 ( 0.601 -2.317 2.754) 3.649 3.865 ( 4.551 0.450 1.547) 4.828 3.962 ( -4.093 2.826 3.154) 5.889 4.035 ( 0.873 -3.776 0.845) 3.966 4.203 ( 4.218 -3.698 -7.554) 9.410 4.389 ( -4.297 -4.361 1.241) 6.247 4.525 ( -0.238 2.434 3.601) 4.352 4.625 ( 2.598 -2.402 -3.192) 4.766 4.672 ( 2.834 -0.357 0.674) 2.935 4.844 ( -1.155 0.944 0.120) 1.497 4.998 ( 4.255 -1.711 -1.293) 4.765 5.046 ( -2.612 -1.068 1.714) 3.302 5.185 ( 7.087 3.354 -2.187) 8.140 5.347 ( -3.875 4.011 3.097) 6.379 5.425 ( -0.362 -0.783 -0.495) 0.995 5.449 ( 4.731 1.404 -1.406) 5.131 5.570 ( 2.282 2.198 -0.640) 3.232 5.651 ( -7.081 -5.722 0.905) 9.149 5.796 ( 0.365 -1.051 3.128) 3.320 6.014 ( 0.700 2.696 0.860) 2.915 6.068 ( -1.871 4.340 -1.840) 5.072 6.097 ( -0.775 0.368 -1.691) 1.896 6.245 ( -6.061 1.219 -0.885) 6.246 6.315 ( -7.143 -4.690 -0.571) 8.565 6.681 ( -3.715 2.282 4.566) 6.313 6.715 ( 1.990 -3.982 -1.963) 4.866 6.848 ( -0.725 2.103 -2.897) 3.652 6.890 ( -8.007 -0.149 0.869) 8.055 7.435 ( -2.602 -1.413 3.488) 4.575 7.581 ( 0.703 2.356 -5.227) 5.776 7.735 ( 1.804 -8.176 1.206) 8.459 7.835 ( -2.267 -5.067 -0.997) 5.640 8.052 ( -7.359 1.506 8.588) 11.410 8.100 ( 5.821 -1.232 -10.090) 11.714 8.688 ( 3.365 -2.594 3.085) 5.251 8.716 ( 5.943 -0.587 -1.621) 6.188 8.792 ( 4.003 -2.954 4.877) 6.967 8.995 ( -2.814 -1.914 6.434) 7.279 9.216 ( 4.350 3.303 -1.230) 5.599 9.374 ( 1.096 0.325 -9.822) 9.888 9.878 ( 2.571 3.384 2.002) 4.698 10.057 ( -3.894 4.488 -0.544) 5.967 10.340 ( 0.876 0.996 -1.048) 1.691 10.391 ( -5.282 -1.381 1.720) 5.724 10.733 ( -0.585 -2.023 1.569) 2.627 10.777 ( -0.460 -1.179 -1.526) 1.983 10.843 ( 1.736 2.005 -0.522) 2.703 10.924 ( -4.357 -0.402 0.637) 4.421 11.079 ( 4.062 -2.851 0.128) 4.964 11.123 ( 2.986 -1.198 -0.050) 3.217 11.512 ( 1.936 -2.552 -0.073) 3.204 11.618 ( -3.951 -3.925 -0.000) 5.569 11.885 ( -0.281 2.857 0.251) 2.882 11.934 ( -1.109 2.163 -0.298) 2.449 12.561 ( -0.458 3.261 1.111) 3.475 12.600 ( -0.628 3.639 -1.457) 3.970 12.994 ( 2.633 -8.070 1.862) 8.691 13.137 ( -0.376 -5.608 -1.526) 5.824 16.177 ( -4.175 -1.874 3.469) 5.742 16.227 ( 0.278 -1.751 -3.430) 3.861 18.115 ( 7.420 0.511 -0.012) 7.438 18.391 ( -0.202 4.316 -4.299) 6.095 18.405 ( -0.959 5.035 4.360) 6.728 18.520 ( -7.103 -1.204 0.104) 7.205 18.955 ( 7.019 -3.337 -0.433) 7.784 19.141 ( -4.586 -7.409 1.507) 8.842 19.355 ( 3.212 1.628 -1.437) 3.877 19.517 ( 3.051 -1.756 0.446) 3.548 19.637 ( -0.176 -5.793 -0.360) 5.807 19.986 ( -13.367 -5.045 -0.016) 14.288 21.009 ( 14.174 9.621 0.106) 17.131 21.443 ( -9.756 6.915 0.009) 11.958 21.949 ( 0.960 -2.612 0.185) 2.789 21.970 ( 0.264 1.698 0.409) 1.766 22.086 ( -2.945 -1.437 4.109) 5.256 22.163 ( 2.752 -4.100 -5.696) 7.538 22.964 ( -2.797 3.709 5.349) 7.084 23.056 ( 2.540 0.480 -5.287) 5.885 23.347 ( 0.835 -1.013 4.077) 4.283 23.455 ( 3.360 -2.902 -3.288) 5.525 ======================= Grid point 125 (49/86) ======================= q-point: (-0.20 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 2.135 15.936 -0.459) 16.085 1.083 ( -6.162 16.939 -0.426) 18.030 1.365 ( 3.205 13.223 0.038) 13.606 1.608 ( -10.870 2.789 -1.740) 11.356 1.800 ( -0.817 7.636 5.493) 9.442 1.948 ( -2.112 10.509 -0.333) 10.724 2.021 ( -1.766 10.194 1.828) 10.506 2.164 ( -3.758 2.106 -3.105) 5.311 2.402 ( -2.738 4.952 5.800) 8.103 2.507 ( -1.918 5.967 -2.262) 6.664 2.615 ( 1.939 3.410 -2.004) 4.405 2.767 ( -2.122 8.313 -6.150) 10.556 2.862 ( -3.838 2.137 3.631) 5.699 2.908 ( -0.642 6.018 -1.777) 6.308 3.184 ( -2.046 -2.477 2.112) 3.845 3.217 ( 3.915 -3.232 -4.207) 6.593 3.289 ( 0.531 -0.946 1.339) 1.724 3.307 ( 0.809 0.504 0.274) 0.992 3.530 ( -2.386 -2.737 3.005) 4.714 3.571 ( 5.405 -3.660 -5.514) 8.545 3.643 ( 2.432 -3.642 -1.181) 4.536 3.692 ( -0.858 -3.591 -1.051) 3.839 3.869 ( 2.107 -0.881 0.415) 2.321 3.896 ( -1.270 1.349 1.613) 2.456 3.945 ( 6.086 -2.635 5.736) 8.768 4.151 ( -4.292 -6.567 1.324) 7.957 4.283 ( 7.668 -1.817 -4.145) 8.904 4.422 ( -7.715 -4.248 3.349) 9.422 4.477 ( -1.434 0.899 3.089) 3.523 4.654 ( 0.122 1.585 -4.121) 4.417 4.721 ( 6.535 0.212 -2.390) 6.962 4.782 ( -2.067 1.828 1.138) 2.985 5.049 ( 5.347 2.594 -1.314) 6.087 5.079 ( 0.086 -3.620 2.556) 4.432 5.156 ( -10.897 -0.409 5.352) 12.147 5.173 ( 5.464 5.132 -7.755) 10.786 5.466 ( 1.280 0.140 0.262) 1.314 5.518 ( 4.591 -0.909 -1.368) 4.876 5.585 ( 5.675 -2.190 -0.954) 6.157 5.653 ( -6.045 -0.386 3.209) 6.855 5.778 ( -4.153 -0.173 3.890) 5.693 5.957 ( -2.180 2.216 -5.553) 6.364 6.083 ( 1.923 -1.054 1.997) 2.966 6.120 ( 6.731 -2.409 -2.269) 7.501 6.190 ( -3.101 -0.125 1.462) 3.431 6.355 ( -10.843 -5.282 -1.557) 12.161 6.605 ( -5.843 2.653 6.192) 8.917 6.713 ( 3.790 2.981 -7.082) 8.568 6.854 ( -9.155 -4.855 4.615) 11.344 6.889 ( 0.366 -2.990 -3.440) 4.572 7.426 ( -3.231 0.779 4.539) 5.626 7.549 ( 1.930 0.964 -6.724) 7.062 7.874 ( -0.840 -4.646 3.665) 5.977 7.959 ( 0.942 -6.605 -5.034) 8.358 8.040 ( -4.244 -4.950 7.203) 9.716 8.155 ( 4.006 -3.234 -6.915) 8.621 8.748 ( 1.367 -0.123 1.410) 1.968 8.749 ( 3.301 -0.052 2.593) 4.198 8.889 ( 0.141 -2.376 7.228) 7.610 8.996 ( -0.894 0.571 3.291) 3.458 9.174 ( 3.327 3.880 -0.990) 5.206 9.356 ( -2.537 0.001 -7.610) 8.022 9.842 ( 3.907 1.314 0.213) 4.128 9.935 ( -4.026 3.479 -1.166) 5.447 10.372 ( 1.633 -2.362 0.481) 2.912 10.396 ( -2.223 -2.068 0.621) 3.099 10.727 ( 6.355 3.883 -1.574) 7.612 10.805 ( -4.006 -2.849 2.516) 5.522 10.846 ( -2.148 -1.074 0.742) 2.514 10.896 ( -2.998 -1.264 -1.470) 3.570 11.149 ( 2.149 -1.512 0.460) 2.668 11.201 ( 0.728 -3.774 -0.081) 3.844 11.581 ( 1.937 -3.363 -0.012) 3.881 11.682 ( -5.471 -5.849 -1.083) 8.082 11.832 ( 0.291 2.316 1.120) 2.590 11.882 ( -1.170 1.984 -0.704) 2.408 12.508 ( -0.683 1.874 1.779) 2.673 12.543 ( 0.829 2.140 -1.730) 2.874 13.166 ( 0.817 -7.559 2.577) 8.028 13.249 ( 0.893 -6.087 -2.589) 6.675 16.194 ( -5.510 -2.917 5.420) 8.262 16.275 ( 2.096 -3.380 -5.125) 6.487 18.156 ( 7.738 4.010 0.830) 8.754 18.236 ( 1.165 10.217 -1.621) 10.411 18.267 ( 2.812 6.465 2.593) 7.512 18.513 ( -14.500 -5.121 -1.999) 15.507 19.144 ( 8.458 -8.980 -0.400) 12.343 19.287 ( -8.126 -10.390 -0.355) 13.195 19.373 ( 6.399 -1.606 2.469) 7.044 19.562 ( -4.139 -4.727 -2.404) 6.727 19.806 ( 7.403 -7.136 0.391) 10.290 19.984 ( -11.725 -5.241 -0.270) 12.845 20.898 ( 14.756 14.334 1.376) 20.618 21.182 ( -13.616 10.148 -1.347) 17.035 21.901 ( 1.252 4.522 1.160) 4.833 21.954 ( -1.496 2.438 -0.359) 2.883 22.157 ( -1.120 -6.572 4.605) 8.103 22.285 ( 2.924 -6.244 -6.932) 9.777 22.878 ( -3.058 4.038 7.739) 9.249 23.038 ( 3.088 2.262 -7.693) 8.593 23.364 ( 0.253 1.153 7.094) 7.191 23.529 ( 4.120 -2.283 -6.015) 7.640 ======================= Grid point 126 (50/86) ======================= q-point: (-0.10 0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( -1.892 16.413 2.064) 16.650 0.824 ( 4.891 2.545 -9.379) 10.879 1.111 ( 8.411 18.077 5.196) 20.604 1.333 ( -10.347 11.802 -12.203) 19.882 1.542 ( -3.957 23.380 8.788) 25.289 1.648 ( 1.470 15.414 1.860) 15.596 1.946 ( 5.488 4.580 7.531) 10.383 1.972 ( -6.647 2.808 4.983) 8.769 2.387 ( -7.401 3.931 1.575) 8.527 2.473 ( 7.291 2.665 -6.172) 9.918 2.550 ( 2.729 3.022 -3.279) 5.228 2.621 ( 2.064 -1.662 -7.999) 8.427 2.772 ( -4.544 1.378 3.434) 5.860 2.850 ( 5.469 3.051 -3.055) 6.968 3.187 ( -8.368 -0.915 4.451) 9.523 3.258 ( -0.135 4.012 3.196) 5.131 3.274 ( 2.006 -1.828 -0.665) 2.794 3.342 ( 2.477 -1.804 -1.487) 3.407 3.575 ( -2.343 -2.191 1.482) 3.534 3.655 ( 2.778 -0.456 -2.157) 3.546 3.701 ( 0.784 -2.662 -1.325) 3.075 3.728 ( -1.212 -0.620 -2.254) 2.633 3.867 ( -6.122 -2.687 3.305) 7.458 3.971 ( 9.215 -2.369 -4.671) 10.600 4.030 ( 4.937 1.626 3.849) 6.468 4.119 ( -7.086 1.212 -3.905) 8.181 4.412 ( 4.457 -4.391 6.167) 8.785 4.461 ( -9.925 -6.785 3.933) 12.649 4.541 ( 3.441 -5.967 -0.464) 6.903 4.634 ( 0.576 2.404 0.989) 2.662 4.640 ( -3.343 0.626 -1.365) 3.665 4.815 ( 6.498 0.045 -7.821) 10.168 4.954 ( -10.583 2.124 6.923) 12.823 5.110 ( 2.443 -0.658 -5.717) 6.252 5.175 ( 2.709 -2.289 2.998) 4.644 5.263 ( 5.764 -6.082 -4.474) 9.499 5.436 ( -7.273 3.408 1.944) 8.264 5.465 ( 1.815 3.649 0.359) 4.091 5.644 ( -2.343 -1.237 0.184) 2.656 5.682 ( 4.341 0.725 -2.238) 4.937 5.795 ( 1.090 -2.770 4.665) 5.533 5.914 ( 0.043 -0.047 -5.735) 5.735 6.091 ( -2.320 1.714 2.673) 3.933 6.144 ( 2.686 -0.901 -1.969) 3.450 6.283 ( 5.815 -1.758 1.758) 6.324 6.337 ( -4.398 -3.762 -2.297) 6.227 6.528 ( -4.146 2.546 6.470) 8.095 6.689 ( 3.948 1.951 -7.191) 8.432 6.883 ( -5.169 -3.974 2.450) 6.965 6.937 ( 1.250 -0.642 -2.807) 3.139 7.380 ( -2.601 2.418 5.301) 6.380 7.532 ( 3.582 1.371 -7.806) 8.698 7.964 ( -1.523 -6.204 3.538) 7.303 8.039 ( -1.162 -4.157 -0.894) 4.408 8.169 ( -1.408 -7.006 4.577) 8.486 8.296 ( 3.647 -9.008 -5.279) 11.059 8.745 ( -3.843 1.485 0.469) 4.146 8.750 ( 4.807 2.285 0.496) 5.345 8.869 ( -4.871 1.498 9.573) 10.845 9.037 ( 6.419 -0.138 -3.370) 7.251 9.126 ( -2.590 0.822 8.426) 8.853 9.287 ( -6.124 1.641 -1.314) 6.475 9.851 ( -3.553 -1.153 2.865) 4.707 9.977 ( 6.949 -8.806 -7.830) 13.680 10.422 ( -2.392 -2.307 1.719) 3.741 10.441 ( 1.733 -3.001 -0.064) 3.466 10.704 ( 6.817 4.238 0.852) 8.072 10.734 ( -9.716 3.078 -2.058) 10.398 10.895 ( -0.492 -3.023 3.740) 4.834 10.943 ( 2.174 -3.535 -0.899) 4.246 11.179 ( 4.650 1.140 1.448) 5.002 11.232 ( -4.249 -0.521 -2.773) 5.100 11.689 ( 3.104 -4.861 1.517) 5.964 11.728 ( -2.375 -4.021 -1.812) 5.010 11.812 ( -1.018 0.664 1.461) 1.901 11.850 ( 1.163 0.131 -1.996) 2.314 12.486 ( -1.122 0.277 1.704) 2.059 12.518 ( 0.836 1.067 -1.071) 1.728 13.299 ( -0.688 -5.437 2.278) 5.935 13.362 ( 1.064 -5.010 -3.161) 6.019 16.224 ( -9.118 -4.451 8.329) 13.127 16.390 ( 7.612 -7.056 -6.076) 12.026 18.024 ( -1.544 8.338 1.448) 8.603 18.050 ( 1.988 9.359 -0.315) 9.573 18.277 ( 0.463 2.782 5.934) 6.570 18.458 ( -2.295 -0.219 -9.421) 9.698 19.360 ( -0.775 -8.159 1.130) 8.273 19.379 ( 1.858 -4.654 -0.329) 5.021 19.559 ( 0.711 -10.973 3.578) 11.563 19.658 ( -0.317 -8.933 -4.809) 10.150 19.984 ( -0.662 -5.860 1.621) 6.116 20.020 ( 0.851 -5.422 -1.473) 5.683 20.675 ( 5.199 19.222 7.227) 21.184 20.851 ( -6.469 13.615 -8.102) 17.113 21.839 ( 2.220 3.174 3.448) 5.186 21.898 ( -1.337 1.008 -1.706) 2.391 22.287 ( -1.707 -6.386 3.550) 7.503 22.399 ( 3.113 -4.470 -6.593) 8.552 22.803 ( -3.107 2.920 8.786) 9.766 22.985 ( 2.224 3.490 -7.859) 8.882 23.327 ( -0.880 4.796 9.044) 10.274 23.547 ( 0.191 1.712 -10.680) 10.818 ======================= Grid point 129 (51/86) ======================= q-point: ( 0.20 0.20 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 10.036 -0.000 15.667) 18.606 0.970 ( 16.214 -0.000 8.168) 18.155 1.064 ( 18.849 -0.000 -8.779) 20.793 1.184 ( 21.706 -0.000 -9.287) 23.609 1.660 ( 35.057 -0.000 7.465) 35.842 1.804 ( 19.531 -0.000 -10.200) 22.034 2.000 ( 14.513 -0.000 -10.940) 18.175 2.217 ( 12.345 -0.000 0.815) 12.372 2.315 ( 7.647 -0.000 5.036) 9.157 2.451 ( 4.411 -0.000 1.086) 4.542 2.607 ( -12.182 0.000 4.884) 13.125 2.698 ( -10.456 0.000 1.490) 10.562 2.797 ( 1.659 -0.000 -0.077) 1.660 2.900 ( 7.428 -0.000 -0.425) 7.440 3.083 ( -3.461 0.000 -2.806) 4.456 3.174 ( -4.750 0.000 -0.039) 4.750 3.326 ( 8.167 -0.000 -0.966) 8.224 3.368 ( -2.072 0.000 -3.690) 4.232 3.506 ( -2.277 0.000 5.944) 6.365 3.544 ( -0.701 0.000 -3.703) 3.769 3.616 ( 3.282 -0.000 1.323) 3.539 3.663 ( -5.154 0.000 0.206) 5.158 3.894 ( 1.227 -0.000 -4.253) 4.427 3.910 ( 0.749 -0.000 3.530) 3.609 4.050 ( -0.032 0.000 2.074) 2.074 4.262 ( -4.056 0.000 -3.315) 5.238 4.341 ( -14.855 0.000 3.047) 15.164 4.424 ( -5.621 0.000 3.302) 6.519 4.641 ( -5.497 0.000 -3.917) 6.750 4.655 ( -4.928 0.000 0.323) 4.939 4.699 ( 5.691 -0.000 -3.761) 6.822 4.884 ( 3.215 -0.000 1.284) 3.462 4.943 ( -5.329 0.000 2.830) 6.033 4.946 ( -7.653 0.000 -3.009) 8.223 5.048 ( -0.287 0.000 0.193) 0.346 5.205 ( -0.823 0.000 1.283) 1.524 5.316 ( -6.671 0.000 9.910) 11.946 5.337 ( -7.433 0.000 -4.644) 8.764 5.470 ( -10.497 0.000 1.686) 10.632 5.592 ( 8.172 -0.000 -9.857) 12.804 5.809 ( -2.782 0.000 4.673) 5.439 5.839 ( -2.497 0.000 -3.840) 4.580 6.129 ( -6.904 0.000 4.010) 7.985 6.162 ( -0.874 0.000 -1.302) 1.568 6.430 ( 4.372 -0.000 0.088) 4.373 6.620 ( 12.279 -0.000 0.173) 12.280 6.725 ( 13.112 -0.000 -3.881) 13.675 6.736 ( 9.159 -0.000 -2.790) 9.574 7.080 ( 2.912 -0.000 7.902) 8.421 7.279 ( -0.126 0.000 2.859) 2.862 7.595 ( 18.899 -0.000 -11.651) 22.202 7.625 ( 3.383 -0.000 -2.678) 4.315 7.871 ( -9.610 0.000 4.619) 10.662 8.348 ( 3.812 -0.000 -1.905) 4.261 8.350 ( -10.618 0.000 -0.654) 10.638 8.439 ( 1.724 -0.000 -5.959) 6.204 8.477 ( -9.409 0.000 8.584) 12.736 8.560 ( -6.783 0.000 -1.791) 7.016 9.063 ( 5.712 -0.000 0.490) 5.733 9.207 ( 4.692 -0.000 -2.425) 5.282 9.287 ( 5.025 -0.000 2.101) 5.446 9.321 ( 6.419 -0.000 1.357) 6.561 9.931 ( -0.787 0.000 1.566) 1.753 10.193 ( -12.898 0.000 0.807) 12.923 10.211 ( -7.552 0.000 -4.444) 8.762 10.302 ( -6.879 0.000 5.195) 8.620 10.637 ( 2.972 -0.000 1.615) 3.382 10.654 ( 2.765 -0.000 1.502) 3.147 10.857 ( 5.598 -0.000 2.657) 6.196 11.196 ( 6.436 -0.000 1.378) 6.582 11.219 ( 8.177 -0.000 4.297) 9.238 11.368 ( -5.572 0.000 -6.722) 8.731 11.625 ( -0.905 0.000 1.459) 1.717 11.654 ( -5.027 0.000 -0.381) 5.041 12.333 ( 5.433 -0.000 2.898) 6.158 12.382 ( -0.208 0.000 -2.420) 2.429 12.565 ( 16.496 -0.000 6.274) 17.649 12.701 ( 13.438 -0.000 -8.229) 15.757 13.327 ( -4.403 0.000 0.784) 4.472 13.329 ( -3.124 0.000 -1.125) 3.321 16.210 ( -0.850 0.000 1.578) 1.792 16.850 ( -21.884 0.000 8.229) 23.380 17.898 ( 7.467 -0.000 -1.439) 7.605 17.920 ( 8.173 -0.000 2.391) 8.515 18.358 ( 12.615 -0.000 4.272) 13.319 18.485 ( 7.441 -0.000 -5.361) 9.171 19.223 ( -9.914 0.000 -1.734) 10.065 19.237 ( -14.459 0.000 0.948) 14.490 19.902 ( -4.380 0.000 0.728) 4.441 19.926 ( 1.554 -0.000 -1.181) 1.952 20.065 ( -0.674 0.000 3.242) 3.311 20.540 ( 18.519 -0.000 -19.436) 26.846 20.689 ( 22.373 -0.000 -0.754) 22.386 20.860 ( 19.182 -0.000 12.628) 22.966 21.966 ( -0.367 0.000 0.371) 0.521 22.013 ( 3.845 -0.000 -0.568) 3.886 22.392 ( -0.655 0.000 -3.862) 3.917 22.398 ( -4.223 0.000 6.662) 7.888 22.541 ( -10.209 0.000 4.579) 11.189 22.843 ( -4.389 0.000 2.507) 5.055 22.888 ( -8.979 0.000 -5.036) 10.294 22.897 ( -4.404 0.000 1.924) 4.806 ======================= Grid point 130 (52/86) ======================= q-point: ( 0.30 0.20 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( 17.245 -2.332 5.636) 18.291 1.206 ( 16.376 -1.243 -7.652) 18.118 1.255 ( 11.365 -9.998 7.629) 16.950 1.363 ( 19.459 -2.298 -5.981) 20.487 1.844 ( 11.337 1.843 -0.065) 11.486 2.028 ( 21.447 -5.763 4.131) 22.589 2.113 ( 15.815 -0.352 -4.943) 16.574 2.308 ( -0.090 3.342 6.272) 7.107 2.388 ( 4.769 -1.120 3.029) 5.760 2.476 ( 12.606 -5.779 -8.376) 16.201 2.600 ( 0.097 -5.344 -2.088) 5.738 2.711 ( -6.010 -7.922 1.487) 10.054 2.812 ( -2.671 0.026 1.436) 3.033 2.946 ( 4.364 4.000 -2.514) 6.431 3.031 ( 6.878 -2.831 -0.947) 7.498 3.178 ( -6.725 -0.257 2.265) 7.101 3.291 ( -2.207 3.111 -3.171) 4.960 3.351 ( 0.768 2.428 2.835) 3.811 3.497 ( 1.557 1.458 -3.966) 4.503 3.552 ( -4.584 -4.010 4.464) 7.551 3.615 ( -3.317 1.623 -0.257) 3.702 3.666 ( -0.070 -1.778 -0.643) 1.892 3.829 ( -2.691 5.213 -2.105) 6.233 3.887 ( 3.831 4.264 1.501) 5.926 4.099 ( -3.042 -0.118 1.208) 3.275 4.173 ( -9.315 1.141 2.530) 9.720 4.225 ( -7.027 1.081 -2.197) 7.442 4.380 ( -2.329 2.383 0.230) 3.340 4.504 ( -3.624 4.900 1.822) 6.361 4.563 ( -3.740 0.773 0.082) 3.820 4.742 ( -2.156 1.497 -7.585) 8.026 4.798 ( -4.132 2.629 1.865) 5.241 4.931 ( -2.004 -0.485 0.562) 2.137 5.047 ( -5.560 -4.134 0.174) 6.930 5.071 ( 2.385 -6.952 -1.165) 7.441 5.186 ( -2.042 1.676 2.547) 3.669 5.205 ( -6.599 3.415 4.958) 8.932 5.348 ( -6.605 -2.773 1.780) 7.382 5.423 ( -10.542 -5.165 -0.639) 11.756 5.600 ( 3.945 2.417 -5.342) 7.067 5.839 ( -1.424 -4.182 1.401) 4.635 5.865 ( 0.989 -3.363 -2.188) 4.132 6.069 ( -2.584 1.178 0.157) 2.844 6.173 ( -1.004 -1.015 1.882) 2.362 6.473 ( 6.015 -0.059 -0.703) 6.056 6.702 ( 12.297 1.092 -1.709) 12.463 6.731 ( 4.160 1.667 1.794) 4.828 6.908 ( 6.813 -5.372 -4.221) 9.649 7.097 ( 4.323 2.758 3.332) 6.115 7.305 ( 0.255 -0.884 1.187) 1.502 7.582 ( 8.296 8.697 -6.200) 13.524 7.631 ( 2.318 1.025 -1.762) 3.087 7.847 ( -4.348 -0.640 4.631) 6.385 8.221 ( -8.845 2.884 -0.400) 9.312 8.280 ( -0.497 8.611 1.865) 8.824 8.294 ( -1.099 4.964 -0.379) 5.098 8.498 ( -2.526 -4.259 -4.819) 6.910 8.626 ( -5.353 -5.977 2.116) 8.298 9.064 ( 5.070 7.796 -2.761) 9.701 9.144 ( 1.703 5.179 7.048) 8.911 9.255 ( -3.298 5.500 7.077) 9.550 9.377 ( 12.354 -0.127 -7.133) 14.266 9.905 ( 1.962 1.590 0.181) 2.532 10.034 ( -8.486 3.423 -1.552) 9.281 10.221 ( -5.855 -3.630 -5.131) 8.590 10.320 ( -4.131 -3.991 5.886) 8.224 10.590 ( 4.308 3.586 0.385) 5.618 10.724 ( -0.725 -0.825 2.849) 3.053 10.940 ( 7.432 -3.188 0.769) 8.124 11.249 ( 7.620 2.981 1.738) 8.365 11.262 ( 4.634 1.336 -1.746) 5.129 11.341 ( -1.433 -2.902 -1.616) 3.618 11.594 ( -3.948 0.916 -0.797) 4.131 11.653 ( -2.374 -2.188 0.768) 3.318 12.344 ( 0.557 1.268 -1.191) 1.827 12.374 ( 4.396 0.736 0.749) 4.520 12.545 ( 10.359 11.979 2.428) 16.021 12.668 ( 13.697 12.581 -1.313) 18.645 13.261 ( -5.844 1.152 -0.774) 6.007 13.306 ( -3.696 2.096 -0.099) 4.250 16.194 ( -3.167 0.169 1.302) 3.428 16.619 ( -17.663 6.351 2.108) 18.888 17.890 ( 7.698 3.533 -0.082) 8.470 18.061 ( 6.911 -4.405 0.636) 8.221 18.201 ( 12.337 5.574 -0.359) 13.543 18.869 ( 1.261 -9.773 1.267) 9.935 19.115 ( -8.889 1.898 -0.831) 9.127 19.247 ( -15.684 -13.081 0.145) 20.424 19.716 ( -3.731 12.254 0.375) 12.814 19.885 ( 1.078 6.282 -1.022) 6.455 19.959 ( 1.715 10.240 4.533) 11.329 20.519 ( 14.328 10.341 -13.843) 22.447 20.801 ( 20.499 3.703 1.489) 20.884 21.132 ( 12.214 -8.455 8.072) 16.906 21.865 ( 1.104 4.531 -1.912) 5.040 22.010 ( 3.200 1.212 1.118) 3.600 22.292 ( -2.639 6.166 -1.076) 6.792 22.460 ( -2.984 -1.600 -0.851) 3.491 22.617 ( -4.887 -8.293 4.818) 10.765 22.808 ( -2.496 -4.110 -1.307) 4.983 22.932 ( -8.985 -10.735 -1.277) 14.057 22.988 ( -8.101 -9.017 1.304) 12.192 ======================= Grid point 131 (53/86) ======================= q-point: ( 0.40 0.20 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 20.669 0.444 -4.671) 21.194 1.308 ( 10.371 -2.094 -1.346) 10.665 1.449 ( 14.114 -2.301 -5.129) 15.192 1.626 ( 3.107 -12.617 11.767) 17.530 1.909 ( 2.377 -0.611 1.496) 2.874 2.053 ( 4.157 0.754 1.540) 4.497 2.280 ( 1.612 -2.128 -0.070) 2.671 2.412 ( 7.756 -2.734 1.070) 8.293 2.468 ( 13.525 -6.888 -3.164) 15.504 2.673 ( 1.050 2.905 -3.289) 4.512 2.695 ( 2.219 -5.270 -0.742) 5.766 2.813 ( -0.328 -4.638 2.533) 5.295 2.848 ( 2.746 -6.708 -3.985) 8.272 2.952 ( 6.827 -1.926 -1.791) 7.317 3.083 ( -5.363 2.337 2.203) 6.251 3.190 ( 7.131 -2.253 2.991) 8.054 3.204 ( -2.523 1.020 -2.530) 3.716 3.296 ( -0.273 2.491 1.055) 2.719 3.493 ( -2.976 -2.127 -1.515) 3.959 3.515 ( -3.792 3.761 -0.047) 5.341 3.603 ( -5.394 -2.939 3.519) 7.080 3.686 ( -0.834 2.824 -0.856) 3.066 3.704 ( 0.838 2.540 -2.824) 3.889 3.824 ( 5.710 4.634 -0.110) 7.355 3.989 ( -6.569 1.373 2.235) 7.073 4.065 ( -7.124 5.357 1.934) 9.121 4.211 ( -2.782 0.898 -1.245) 3.178 4.295 ( -3.183 1.008 -0.665) 3.404 4.410 ( -8.862 2.616 4.192) 10.146 4.598 ( 0.350 -4.271 0.238) 4.292 4.640 ( -0.001 3.945 -10.321) 11.049 4.751 ( -3.289 0.241 2.550) 4.169 4.952 ( -4.255 -3.819 -0.350) 5.729 5.018 ( -3.481 0.658 -1.091) 3.707 5.097 ( -5.372 2.306 6.312) 8.603 5.158 ( -4.037 -0.968 0.090) 4.152 5.235 ( 2.925 -4.427 0.410) 5.322 5.367 ( -3.953 -5.263 1.570) 6.767 5.495 ( -5.409 -7.132 -0.894) 8.996 5.575 ( 2.512 1.273 -1.008) 2.992 5.892 ( -1.697 -0.563 -1.567) 2.377 5.929 ( -2.008 -3.890 0.498) 4.405 6.083 ( 4.381 -2.321 -1.312) 5.129 6.196 ( 1.093 -1.244 1.807) 2.451 6.517 ( 6.223 0.586 -1.142) 6.354 6.729 ( 0.832 1.233 2.846) 3.212 6.760 ( 9.466 2.224 -1.560) 9.848 6.993 ( 0.563 -0.613 -0.773) 1.136 7.048 ( 3.378 6.051 -0.323) 6.938 7.226 ( 1.412 10.414 -2.567) 10.818 7.479 ( 2.101 3.781 -2.094) 4.806 7.625 ( 0.736 1.767 2.356) 3.036 7.796 ( -4.675 1.532 2.615) 5.571 8.059 ( -9.502 5.057 -4.136) 11.531 8.231 ( 1.243 -1.587 0.571) 2.095 8.244 ( 9.078 3.102 1.879) 9.776 8.536 ( -2.384 -2.678 -3.729) 5.173 8.679 ( -5.900 -3.878 2.609) 7.527 8.855 ( -1.687 12.139 2.959) 12.608 8.959 ( -2.436 13.855 -2.210) 14.240 9.232 ( 0.605 -1.434 10.394) 10.510 9.476 ( 12.166 -0.988 -8.327) 14.776 9.911 ( 1.993 1.015 -0.138) 2.241 9.939 ( -4.612 -0.421 0.190) 4.635 10.253 ( 0.056 -3.371 -5.344) 6.318 10.378 ( -4.117 -4.078 4.954) 7.624 10.565 ( 3.492 2.661 -0.358) 4.405 10.706 ( -3.049 0.845 2.084) 3.789 11.066 ( 7.398 -2.239 -1.086) 7.806 11.205 ( 4.871 5.025 0.288) 7.004 11.247 ( 4.190 3.770 -0.026) 5.636 11.408 ( 4.593 -0.464 0.904) 4.704 11.539 ( -4.460 0.764 -1.958) 4.930 11.677 ( -2.270 -1.532 0.811) 2.856 12.259 ( 12.259 13.906 -0.203) 18.539 12.400 ( 5.965 2.197 0.604) 6.385 12.463 ( 4.939 9.905 0.435) 11.076 12.470 ( -0.581 1.215 -0.435) 1.415 13.164 ( -6.308 4.974 0.477) 8.047 13.203 ( -4.100 3.527 -1.112) 5.521 16.166 ( -3.858 -0.066 0.939) 3.972 16.398 ( -10.590 4.648 -0.171) 11.566 17.910 ( 5.523 -0.086 -0.092) 5.524 18.178 ( 2.241 -3.379 0.303) 4.066 18.290 ( 11.819 -2.636 -0.135) 12.110 18.892 ( -2.844 2.904 0.912) 4.166 18.996 ( -5.453 3.747 -0.674) 6.650 19.380 ( -11.083 -5.425 -1.244) 12.402 19.473 ( -3.664 5.646 0.841) 6.783 19.720 ( -2.027 8.743 -6.261) 10.943 19.814 ( 4.185 7.698 11.663) 14.588 20.350 ( 8.993 13.692 -8.275) 18.353 20.908 ( 18.112 1.340 1.082) 18.194 21.362 ( 5.085 -6.561 4.035) 9.230 21.849 ( 1.375 -1.405 -2.518) 3.195 22.051 ( 3.325 -1.937 0.399) 3.868 22.140 ( -3.443 6.353 -0.390) 7.236 22.379 ( -3.086 5.435 -1.125) 6.351 22.751 ( -0.889 -7.031 4.499) 8.395 22.917 ( -0.449 -6.909 -3.719) 7.859 23.060 ( -7.812 -8.770 -0.049) 11.745 23.095 ( -8.859 -8.839 1.231) 12.574 ======================= Grid point 132 (54/86) ======================= q-point: ( 0.50 0.20 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 15.665 2.862 -7.268) 17.505 1.382 ( 2.325 -0.544 4.909) 5.459 1.672 ( 11.235 -8.698 -3.924) 14.740 1.866 ( 1.930 -7.859 8.110) 11.458 1.950 ( -1.869 -4.053 1.033) 4.582 2.147 ( 1.744 -5.252 -0.892) 5.605 2.353 ( 2.319 -3.689 -2.098) 4.836 2.416 ( 4.247 3.841 1.024) 5.817 2.542 ( -0.295 7.345 -3.116) 7.984 2.682 ( -1.801 -1.755 -1.987) 3.204 2.744 ( 1.041 2.645 -0.355) 2.865 2.784 ( -0.425 -1.948 5.846) 6.177 2.975 ( 6.953 -1.919 -5.677) 9.179 3.015 ( -3.042 -0.648 0.463) 3.145 3.113 ( -0.253 -4.598 -0.272) 4.613 3.133 ( -2.000 0.811 2.234) 3.106 3.301 ( -1.095 -1.496 3.737) 4.171 3.349 ( 9.372 -4.456 -0.302) 10.382 3.447 ( 2.975 1.118 -3.431) 4.676 3.515 ( -5.220 -0.041 -2.392) 5.742 3.541 ( -2.292 2.242 1.872) 3.712 3.645 ( -1.642 0.702 0.901) 2.000 3.685 ( -2.672 -2.715 -0.571) 3.852 3.840 ( 7.783 0.744 -1.965) 8.061 3.894 ( -7.467 5.528 -0.122) 9.292 3.979 ( -1.772 -1.308 3.388) 4.041 4.132 ( -3.170 1.496 0.787) 3.593 4.241 ( -7.233 2.525 2.143) 7.955 4.352 ( -2.852 -3.519 -0.404) 4.548 4.593 ( 2.942 0.373 -8.341) 8.852 4.651 ( -7.525 -2.324 1.323) 7.986 4.739 ( -1.294 -0.367 1.234) 1.826 4.943 ( -5.525 -1.525 1.931) 6.048 5.025 ( 0.847 -2.576 -0.633) 2.785 5.093 ( -0.795 -2.830 2.739) 4.017 5.172 ( -2.927 -3.110 -0.903) 4.365 5.318 ( 4.888 -1.005 0.170) 4.994 5.456 ( -0.401 -4.360 -0.233) 4.384 5.561 ( -3.022 -3.487 1.328) 4.802 5.611 ( 3.082 -2.052 0.886) 3.807 5.846 ( -0.741 2.822 -0.850) 3.039 5.979 ( -4.276 -3.925 -1.798) 6.076 6.158 ( 1.540 -1.003 2.822) 3.368 6.250 ( 3.537 -2.021 -1.521) 4.349 6.531 ( 5.258 3.002 -1.079) 6.150 6.703 ( 1.234 3.064 0.151) 3.307 6.730 ( 2.748 7.000 2.645) 7.972 6.904 ( -1.038 8.178 0.019) 8.244 6.919 ( 3.057 9.283 -5.063) 11.007 7.077 ( -2.751 1.146 1.983) 3.580 7.432 ( 1.623 2.410 -1.992) 3.523 7.558 ( -3.014 3.767 4.345) 6.493 7.750 ( -4.533 1.166 -0.946) 4.776 7.911 ( -4.953 2.947 -4.187) 7.124 8.225 ( 5.911 5.702 2.318) 8.534 8.356 ( 8.086 -4.846 -2.157) 9.670 8.538 ( 0.248 2.295 -1.426) 2.713 8.609 ( -5.419 9.735 1.403) 11.230 8.673 ( -3.743 1.118 1.716) 4.267 8.773 ( -4.541 -1.933 2.604) 5.580 9.295 ( 4.493 -0.436 5.337) 6.990 9.538 ( 7.530 1.670 -6.948) 10.381 9.876 ( 1.833 1.371 0.051) 2.290 9.993 ( -2.318 -5.063 0.885) 5.638 10.316 ( 2.041 -3.077 -4.632) 5.924 10.432 ( -4.133 -3.485 4.053) 6.757 10.541 ( 1.237 1.183 -0.439) 1.767 10.671 ( -4.326 -0.135 0.840) 4.409 11.065 ( 4.148 6.199 -0.935) 7.517 11.152 ( 5.007 6.405 0.183) 8.132 11.238 ( 5.643 0.432 2.854) 6.339 11.397 ( 7.193 6.250 -2.417) 9.831 11.483 ( -2.919 2.049 -0.526) 3.605 11.658 ( -3.544 1.498 0.620) 3.897 12.099 ( 7.532 9.155 0.110) 11.856 12.207 ( 5.710 13.606 0.025) 14.755 12.480 ( -0.195 -4.796 0.270) 4.808 12.559 ( 0.936 -5.818 -0.036) 5.893 12.994 ( -4.310 7.408 0.654) 8.595 13.104 ( -4.788 3.001 -1.155) 5.768 16.143 ( -3.082 -0.330 0.467) 3.135 16.268 ( -6.402 2.050 -0.209) 6.726 17.972 ( 4.356 -2.147 -0.096) 4.858 18.227 ( -3.186 -2.452 0.276) 4.030 18.434 ( 9.270 -2.609 -0.154) 9.632 18.765 ( -4.860 6.072 -0.412) 7.789 18.921 ( 2.315 2.669 1.428) 3.811 19.303 ( -1.161 1.583 0.251) 1.979 19.433 ( -1.093 2.637 -2.525) 3.811 19.537 ( -3.392 4.995 -4.440) 7.495 19.762 ( -2.336 2.558 10.051) 10.631 20.114 ( 1.808 13.336 -4.915) 14.327 21.044 ( 16.315 -0.896 0.225) 16.341 21.487 ( -1.210 -4.511 1.898) 5.041 21.893 ( 1.009 -2.088 -2.114) 3.138 22.002 ( -2.633 5.252 -0.198) 5.878 22.103 ( 1.247 -0.517 1.633) 2.119 22.249 ( -1.807 4.646 -1.871) 5.325 22.883 ( 1.068 -5.427 3.166) 6.373 23.017 ( -0.453 -4.208 -2.340) 4.836 23.148 ( -3.856 -5.875 -0.677) 7.060 23.194 ( -6.490 -7.607 0.936) 10.043 ======================= Grid point 133 (55/86) ======================= q-point: ( 0.60 0.20 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.340 ( 7.483 1.130 0.916) 7.623 1.477 ( 3.401 -5.254 -2.955) 6.921 1.793 ( 4.987 2.226 -2.445) 5.984 1.945 ( -7.348 2.510 1.488) 7.906 2.073 ( 6.629 -7.153 2.615) 10.097 2.235 ( 2.321 0.813 0.019) 2.459 2.289 ( -3.438 3.223 2.847) 5.506 2.376 ( -0.680 8.597 -1.312) 8.723 2.457 ( -1.370 -2.328 -0.036) 2.701 2.613 ( -6.712 0.754 -1.539) 6.928 2.748 ( 5.526 -5.640 -0.038) 7.896 2.924 ( 2.060 -4.726 1.055) 5.262 2.971 ( 3.391 2.944 -0.265) 4.498 3.021 ( -1.713 0.074 -3.282) 3.703 3.101 ( -1.717 -0.127 1.526) 2.301 3.172 ( -2.568 -1.778 0.736) 3.209 3.256 ( -1.132 5.680 1.418) 5.963 3.343 ( -3.913 7.717 1.018) 8.712 3.465 ( 1.003 -1.798 -2.481) 3.224 3.491 ( -0.644 -0.576 -1.191) 1.471 3.550 ( 5.681 -2.546 -2.963) 6.894 3.649 ( -2.607 2.341 3.880) 5.228 3.727 ( -3.833 -4.077 1.654) 5.835 3.781 ( -0.879 -0.189 -1.818) 2.029 3.915 ( 3.763 -4.238 0.788) 5.722 4.036 ( 2.862 -4.290 -2.881) 5.907 4.098 ( 0.169 1.881 0.161) 1.896 4.212 ( -6.676 -3.822 2.968) 8.245 4.413 ( -1.627 -4.445 0.295) 4.743 4.559 ( -9.137 -0.513 -1.873) 9.341 4.652 ( 0.875 -1.641 2.751) 3.320 4.770 ( 3.572 -2.177 -3.870) 5.698 4.950 ( -0.412 -1.442 1.384) 2.041 5.071 ( -1.303 -0.029 -3.041) 3.308 5.197 ( 3.927 -6.588 3.259) 8.333 5.225 ( -4.374 -5.231 1.993) 7.104 5.345 ( 7.039 2.439 -1.297) 7.561 5.518 ( -0.470 -2.039 0.695) 2.204 5.578 ( -4.056 -0.083 -0.026) 4.056 5.682 ( 5.711 -1.397 2.278) 6.305 5.790 ( 0.660 2.505 -1.921) 3.225 6.010 ( -4.550 -3.584 -2.927) 6.489 6.126 ( -3.177 3.804 4.004) 6.372 6.289 ( 0.016 -0.002 -2.883) 2.883 6.435 ( 0.968 11.044 2.910) 11.462 6.547 ( 2.083 11.725 -1.669) 12.025 6.649 ( 2.426 2.341 -2.997) 4.511 6.753 ( -3.707 3.189 0.820) 4.958 6.837 ( 0.575 2.105 2.336) 3.196 7.053 ( -2.391 1.328 -0.911) 2.883 7.410 ( 3.735 1.464 -1.373) 4.240 7.514 ( -1.691 -1.249 4.082) 4.591 7.674 ( -6.700 1.178 -0.689) 6.838 7.813 ( -3.130 3.489 -4.032) 6.183 8.144 ( 6.481 5.599 -3.197) 9.142 8.274 ( -6.279 10.423 3.195) 12.581 8.556 ( 6.325 -4.872 1.519) 8.127 8.623 ( 5.874 -3.563 -5.213) 8.624 8.673 ( -1.654 -2.567 4.323) 5.293 8.827 ( -5.600 -5.595 4.884) 9.302 9.332 ( 6.518 2.038 1.017) 6.904 9.497 ( 2.019 4.485 -4.910) 6.950 9.903 ( 5.377 -0.714 -0.787) 5.481 10.059 ( -5.370 -4.036 1.495) 6.882 10.365 ( 0.972 -0.922 -1.818) 2.258 10.439 ( -1.362 0.776 -0.045) 1.568 10.571 ( -2.879 -4.703 2.295) 5.973 10.653 ( -3.291 -1.572 -1.039) 3.792 10.959 ( 0.534 6.081 2.785) 6.710 11.056 ( 3.885 6.223 -2.896) 7.887 11.252 ( 4.552 4.757 3.572) 7.490 11.278 ( 8.861 10.636 -3.122) 14.191 11.446 ( 0.287 -0.436 -0.812) 0.965 11.582 ( -5.748 1.819 0.957) 6.105 12.026 ( 2.444 3.619 0.233) 4.373 12.044 ( 2.298 6.786 -0.260) 7.170 12.577 ( 1.196 -4.025 0.564) 4.236 12.677 ( -0.442 -4.949 -0.446) 4.989 12.844 ( -0.046 5.265 1.241) 5.410 13.018 ( -4.573 1.042 -1.486) 4.920 16.133 ( -2.040 -0.590 0.825) 2.278 16.206 ( -3.453 0.333 -0.675) 3.534 18.056 ( 4.434 -2.782 -0.026) 5.234 18.244 ( -5.956 -3.509 0.285) 6.918 18.514 ( 5.990 0.649 -1.700) 6.260 18.640 ( -4.023 2.379 0.531) 4.704 18.911 ( 4.079 2.331 4.748) 6.680 19.249 ( 0.459 6.233 -7.646) 9.875 19.398 ( 2.982 -3.247 0.214) 4.413 19.476 ( 3.591 3.025 1.234) 4.854 19.688 ( -4.942 4.304 4.380) 7.883 19.880 ( -8.187 6.064 -1.918) 10.367 21.186 ( 15.052 -0.112 -0.003) 15.053 21.533 ( -6.003 -2.588 0.984) 6.611 21.899 ( -1.399 3.013 0.061) 3.323 21.926 ( 0.012 -1.375 -2.833) 3.149 22.089 ( -0.038 1.901 3.220) 3.740 22.185 ( -0.360 1.456 -2.109) 2.587 22.984 ( 1.706 -3.357 0.906) 3.873 23.052 ( -1.616 -0.667 0.125) 1.753 23.234 ( -0.612 -4.834 0.105) 4.873 23.289 ( -2.570 -6.085 -0.541) 6.627 ======================= Grid point 134 (56/86) ======================= q-point: (-0.30 0.20 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 2.444 -1.025 6.567) 7.081 1.579 ( 2.972 -2.647 -6.516) 7.635 1.663 ( 1.608 14.649 1.127) 14.780 1.780 ( -3.023 8.063 -2.792) 9.053 2.050 ( -5.200 8.304 4.685) 10.860 2.115 ( 0.761 6.555 -2.153) 6.941 2.259 ( 2.939 3.418 1.094) 4.638 2.363 ( -4.132 -3.793 0.494) 5.631 2.515 ( 2.562 -3.859 -3.372) 5.729 2.548 ( -4.948 1.371 -1.268) 5.288 2.865 ( -2.748 2.788 3.825) 5.473 2.896 ( 2.503 4.951 4.911) 7.409 2.968 ( -0.782 0.333 -3.813) 3.907 3.020 ( -1.622 -0.593 -1.772) 2.475 3.087 ( 2.149 -1.893 -0.448) 2.899 3.128 ( -1.150 0.668 -0.911) 1.612 3.210 ( -0.166 -0.952 3.345) 3.482 3.292 ( 0.149 -2.513 -2.256) 3.381 3.452 ( -1.363 0.848 2.360) 2.854 3.521 ( 3.481 -0.964 -3.593) 5.095 3.576 ( -0.747 1.032 -0.018) 1.274 3.600 ( 0.473 -0.122 -3.803) 3.834 3.788 ( 0.814 -3.367 3.099) 4.648 3.834 ( -2.695 -4.285 4.032) 6.471 3.999 ( 1.303 0.873 -0.955) 1.836 4.015 ( -0.395 1.749 -0.841) 1.980 4.185 ( 10.184 -3.041 -5.921) 12.167 4.245 ( -9.274 -4.898 3.085) 10.932 4.503 ( -1.953 -3.721 1.554) 4.481 4.518 ( -5.879 -4.349 1.727) 7.514 4.715 ( 4.246 -2.083 2.630) 5.412 4.834 ( 2.684 -1.683 -4.629) 5.610 4.999 ( 2.043 -2.621 -0.336) 3.340 5.034 ( 0.036 1.700 -1.940) 2.580 5.269 ( -3.508 -0.425 1.728) 3.934 5.330 ( -2.235 -3.123 0.393) 3.861 5.372 ( 6.537 -0.544 2.675) 7.084 5.524 ( -1.852 0.402 1.108) 2.196 5.529 ( -0.703 0.657 -0.109) 0.968 5.681 ( 0.269 5.141 -5.074) 7.228 5.800 ( 5.022 -1.384 4.516) 6.894 6.004 ( -6.086 -1.772 -3.060) 7.039 6.088 ( 1.734 -0.520 1.156) 2.148 6.210 ( -2.551 7.496 4.010) 8.876 6.229 ( -1.921 5.894 -2.861) 6.827 6.327 ( -2.012 9.745 -2.212) 10.194 6.673 ( 3.912 -1.722 -1.849) 4.657 6.709 ( -3.257 -0.234 1.950) 3.804 6.808 ( -1.367 1.736 4.210) 4.754 6.960 ( -1.680 5.427 -3.880) 6.880 7.428 ( 2.782 0.260 2.196) 3.554 7.565 ( -5.757 -2.935 -0.629) 6.493 7.641 ( 3.914 -2.717 -1.193) 4.911 7.741 ( -3.536 -0.659 -1.340) 3.838 8.080 ( -6.522 5.344 5.659) 10.155 8.128 ( 7.671 1.130 -8.522) 11.522 8.652 ( -0.138 -2.970 3.133) 4.319 8.720 ( 3.465 -2.619 -3.241) 5.419 8.768 ( 2.430 -4.033 7.399) 8.770 8.908 ( -3.462 -5.332 3.204) 7.120 9.324 ( 6.084 3.784 -2.267) 7.515 9.406 ( 0.083 3.862 -5.862) 7.021 9.954 ( 4.264 0.605 1.758) 4.652 10.059 ( -5.280 -0.422 -0.091) 5.298 10.350 ( -1.871 1.273 1.733) 2.850 10.394 ( 0.240 2.917 -2.181) 3.650 10.658 ( -1.958 -5.507 1.451) 6.022 10.688 ( -1.052 -3.863 -1.173) 4.172 10.879 ( -2.480 2.012 3.978) 5.101 10.972 ( 2.955 4.614 -5.382) 7.680 11.143 ( 4.261 6.324 1.913) 7.862 11.191 ( 2.885 4.901 -0.076) 5.687 11.487 ( 2.532 -1.923 -0.341) 3.198 11.534 ( -4.650 -1.468 0.439) 4.896 11.959 ( 1.292 4.052 -0.080) 4.254 11.974 ( -0.458 2.893 -0.066) 2.930 12.616 ( 0.542 1.612 0.778) 1.870 12.660 ( -1.512 3.171 -1.226) 3.721 12.882 ( 2.584 -5.531 3.085) 6.840 13.017 ( -2.487 -4.551 -2.684) 5.840 16.135 ( -1.825 -0.695 2.267) 2.992 16.194 ( -0.673 -1.092 -2.165) 2.516 18.147 ( 6.013 -2.419 0.164) 6.483 18.270 ( -7.492 -4.428 -0.280) 8.708 18.518 ( 5.058 2.768 -1.104) 5.871 18.577 ( -2.926 3.224 0.289) 4.363 18.928 ( 0.667 -1.717 6.115) 6.386 19.109 ( 0.409 5.193 -6.727) 8.508 19.446 ( 5.848 3.844 0.979) 7.067 19.542 ( -4.132 -1.128 0.334) 4.296 19.563 ( 8.778 0.121 0.365) 8.786 19.775 ( -14.302 -4.107 -0.017) 14.880 21.263 ( 14.034 4.543 0.165) 14.752 21.466 ( -10.309 3.326 -0.034) 10.832 21.886 ( -0.008 -2.541 1.600) 3.003 21.957 ( -0.571 -2.566 -2.959) 3.958 22.075 ( 1.086 0.762 2.192) 2.563 22.148 ( -0.637 1.227 -1.655) 2.157 23.011 ( -1.546 1.902 2.646) 3.606 23.057 ( 1.686 -1.193 -2.482) 3.229 23.312 ( -0.961 -3.358 3.264) 4.780 23.386 ( 0.962 -5.001 -2.878) 5.850 ======================= Grid point 135 (57/86) ======================= q-point: (-0.20 0.20 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -2.324 19.147 5.183) 19.972 1.359 ( -2.658 10.593 4.184) 11.695 1.538 ( 1.185 6.450 2.060) 6.874 1.631 ( -0.152 4.774 -4.775) 6.754 1.912 ( -0.652 4.363 0.215) 4.417 2.066 ( 4.149 -1.635 -10.013) 10.961 2.171 ( 2.669 7.626 2.566) 8.477 2.235 ( -0.999 11.186 -2.669) 11.543 2.511 ( -3.515 1.454 3.990) 5.513 2.576 ( 0.992 2.445 -1.551) 3.061 2.719 ( 0.274 6.523 7.873) 10.228 2.872 ( 0.870 2.780 -2.545) 3.869 2.918 ( -2.383 6.159 0.332) 6.612 2.950 ( -1.227 -0.584 -0.600) 1.485 3.137 ( -2.468 -1.377 0.736) 2.920 3.196 ( 5.250 -1.668 -3.048) 6.296 3.243 ( -0.289 -4.458 1.462) 4.700 3.315 ( 1.515 1.687 -3.594) 4.249 3.498 ( 0.161 -2.450 0.094) 2.457 3.534 ( 1.993 -1.641 -3.174) 4.091 3.584 ( -5.505 -3.450 1.143) 6.596 3.619 ( 5.243 -1.852 -3.269) 6.450 3.872 ( 0.198 -0.944 4.511) 4.613 3.908 ( -1.808 -5.260 7.116) 9.031 3.921 ( -1.209 2.012 0.718) 2.454 4.034 ( 1.041 -1.580 -3.060) 3.598 4.241 ( -9.960 -4.005 -0.203) 10.737 4.301 ( 8.606 -1.882 -4.503) 9.893 4.513 ( -2.539 -0.671 6.736) 7.230 4.624 ( 1.256 -4.105 -2.289) 4.865 4.800 ( 7.741 0.859 -1.914) 8.020 4.803 ( -4.497 1.507 -1.903) 5.111 5.018 ( -1.551 -0.873 1.563) 2.369 5.076 ( 3.153 -2.954 -3.403) 5.499 5.172 ( -6.785 6.341 5.932) 11.020 5.294 ( 3.558 3.551 -3.889) 6.356 5.452 ( 1.336 -2.138 2.620) 3.636 5.531 ( -3.196 -0.858 -1.272) 3.545 5.553 ( 1.307 -0.420 -0.676) 1.530 5.573 ( -0.345 -0.841 -1.275) 1.566 5.847 ( 3.251 2.442 6.624) 7.772 5.988 ( -1.491 1.849 -4.962) 5.502 6.079 ( -3.408 1.241 1.265) 3.842 6.126 ( -2.926 1.186 -1.629) 3.553 6.152 ( 6.110 -1.618 1.926) 6.608 6.230 ( -0.148 -1.244 -3.182) 3.420 6.658 ( -2.234 3.527 5.049) 6.552 6.736 ( 0.321 -1.021 2.333) 2.567 6.794 ( -2.341 -0.345 -2.068) 3.143 6.854 ( 3.086 1.833 -3.530) 5.034 7.437 ( 0.326 0.643 4.042) 4.106 7.552 ( 0.357 -0.324 -6.428) 6.447 7.777 ( 0.519 -4.846 1.127) 5.002 7.804 ( 0.940 -8.704 -1.512) 8.885 7.978 ( -6.983 1.057 7.417) 10.242 8.161 ( 7.459 0.177 -9.414) 12.012 8.700 ( -2.874 -2.441 3.277) 4.995 8.777 ( 1.733 -1.758 -1.542) 2.910 8.853 ( -3.014 -2.768 10.459) 11.232 8.974 ( -1.129 -2.549 2.333) 3.635 9.276 ( 4.088 4.508 -3.842) 7.197 9.339 ( -0.649 1.396 -7.567) 7.722 9.930 ( -0.287 3.371 3.584) 4.929 9.994 ( -0.477 4.760 -1.746) 5.093 10.331 ( -2.456 -1.457 1.559) 3.254 10.366 ( 2.871 0.110 -1.385) 3.190 10.743 ( 0.327 -2.279 0.387) 2.335 10.757 ( 0.623 -4.413 -0.972) 4.561 10.842 ( -4.307 0.214 2.543) 5.007 10.893 ( 3.079 4.913 -1.982) 6.127 11.125 ( 0.506 -1.549 1.537) 2.240 11.156 ( -0.634 -0.562 -1.149) 1.428 11.535 ( -0.663 -2.717 1.379) 3.119 11.572 ( 1.048 -3.313 -1.747) 3.889 11.894 ( 0.123 3.427 1.000) 3.572 11.916 ( -0.251 2.441 -0.874) 2.605 12.556 ( -0.872 3.318 1.553) 3.766 12.596 ( 0.866 3.092 -1.859) 3.710 13.031 ( -0.067 -7.451 3.815) 8.371 13.117 ( 0.044 -6.861 -3.504) 7.704 16.142 ( -1.793 -0.891 3.617) 4.134 16.226 ( 1.789 -2.462 -3.545) 4.672 18.242 ( 4.889 -1.601 1.426) 5.338 18.277 ( -6.767 -1.984 -1.342) 7.178 18.444 ( 2.571 7.292 0.456) 7.746 18.465 ( -0.183 6.623 -0.790) 6.673 19.026 ( -5.534 -8.392 2.984) 10.486 19.089 ( 5.288 -3.101 -2.282) 6.541 19.435 ( 4.518 2.224 0.552) 5.066 19.456 ( -5.273 -0.939 -1.296) 5.510 19.753 ( 1.962 -5.750 1.464) 6.250 19.785 ( -1.559 -6.477 -1.235) 6.776 21.242 ( 13.727 8.928 0.252) 16.377 21.251 ( -13.813 8.567 -0.266) 16.257 21.968 ( 0.717 -2.685 0.281) 2.793 21.970 ( -0.001 0.973 0.043) 0.974 22.059 ( -2.765 -0.562 4.422) 5.245 22.180 ( 2.712 -4.738 -5.930) 8.061 22.946 ( -2.475 3.675 5.515) 7.075 23.073 ( 2.637 0.599 -5.755) 6.359 23.361 ( -1.907 -1.881 5.675) 6.276 23.475 ( 1.210 -3.835 -4.323) 5.904 ======================= Grid point 136 (58/86) ======================= q-point: (-0.10 0.20 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -2.296 14.351 -1.099) 14.575 1.052 ( 5.810 17.010 -0.102) 17.976 1.403 ( -5.993 8.647 1.768) 10.668 1.509 ( 6.973 9.468 0.438) 11.767 1.834 ( 2.324 5.710 4.231) 7.476 1.957 ( 5.982 14.173 -2.485) 15.583 2.054 ( -0.153 6.965 1.936) 7.231 2.157 ( 7.041 7.144 -2.210) 10.271 2.407 ( -1.062 -0.786 2.957) 3.239 2.460 ( -1.672 5.856 0.508) 6.111 2.694 ( 6.730 3.695 -0.858) 7.726 2.721 ( 2.612 8.745 -7.900) 12.071 2.827 ( -0.132 3.976 4.059) 5.684 2.964 ( 4.787 2.779 -3.116) 6.352 3.122 ( -4.723 0.395 1.510) 4.975 3.237 ( 0.118 -2.225 -0.250) 2.242 3.282 ( -2.380 -2.251 1.034) 3.435 3.336 ( 2.594 0.594 -2.211) 3.460 3.495 ( -3.568 -3.554 1.350) 5.214 3.617 ( 2.286 -3.231 -2.028) 4.447 3.651 ( -1.925 -5.252 -3.754) 6.737 3.679 ( 1.901 -0.698 -0.129) 2.029 3.819 ( -5.128 2.101 2.441) 6.055 3.957 ( 2.453 -3.690 -0.803) 4.503 4.012 ( -3.514 -2.634 2.499) 5.052 4.082 ( 0.402 -3.528 4.100) 5.424 4.247 ( -9.566 -5.689 -1.232) 11.198 4.407 ( 5.367 -3.058 2.722) 6.751 4.531 ( 3.330 -0.430 4.205) 5.381 4.626 ( -3.737 2.722 -7.661) 8.948 4.672 ( -4.097 2.338 1.393) 4.919 4.866 ( 5.729 1.957 -2.421) 6.520 4.990 ( -5.536 5.053 3.079) 8.103 5.050 ( -2.252 -2.720 1.649) 3.897 5.140 ( 0.034 -3.203 -1.887) 3.718 5.293 ( 13.453 2.513 -6.393) 15.105 5.436 ( -6.800 0.720 3.600) 7.728 5.474 ( -7.233 0.476 0.957) 7.312 5.563 ( -4.112 -1.931 0.288) 4.551 5.703 ( 5.644 -3.685 0.009) 6.741 5.830 ( 5.665 3.169 4.423) 7.855 5.916 ( 1.857 0.662 -6.679) 6.964 6.087 ( -3.142 -0.290 0.702) 3.232 6.115 ( -0.656 -3.964 -0.184) 4.022 6.221 ( -2.205 -0.545 -1.227) 2.582 6.338 ( 13.895 -5.387 -0.444) 14.910 6.570 ( -1.494 4.264 5.008) 6.745 6.742 ( 1.972 2.244 -4.552) 5.444 6.791 ( 0.754 -4.032 3.384) 5.318 6.924 ( 4.615 -2.861 -1.500) 5.633 7.428 ( 0.606 1.769 3.964) 4.383 7.559 ( 3.538 -0.009 -6.946) 7.796 7.857 ( -2.543 -4.229 2.843) 5.695 7.934 ( -3.367 -4.717 1.588) 6.009 8.040 ( 1.474 -8.790 1.255) 9.001 8.194 ( 4.748 -1.196 -6.527) 8.159 8.715 ( -4.048 -1.355 1.716) 4.601 8.806 ( 1.260 -0.073 -1.650) 2.078 8.859 ( -7.025 -0.463 8.867) 11.322 9.014 ( -2.987 -2.154 8.168) 8.960 9.208 ( 4.346 4.519 -5.931) 8.631 9.290 ( -2.174 1.668 -4.171) 4.990 9.871 ( -2.494 3.078 -1.452) 4.220 9.919 ( 4.996 0.702 -0.265) 5.052 10.377 ( -0.311 -3.786 0.038) 3.799 10.397 ( 1.234 -0.612 0.718) 1.553 10.706 ( -7.592 2.602 0.059) 8.026 10.824 ( 4.048 3.547 1.353) 5.549 10.851 ( 0.744 -2.261 0.868) 2.533 10.881 ( 3.894 -4.798 -1.415) 6.339 11.170 ( -3.219 -1.815 -1.143) 3.868 11.190 ( 1.695 -3.932 0.921) 4.379 11.587 ( -2.951 -3.379 -0.334) 4.498 11.673 ( 6.694 -5.342 -0.615) 8.586 11.838 ( -0.574 2.372 0.881) 2.594 11.878 ( 1.342 1.640 -0.628) 2.210 12.501 ( -1.043 1.990 1.694) 2.814 12.548 ( 0.573 2.033 -1.514) 2.598 13.174 ( -1.477 -7.195 2.597) 7.790 13.243 ( 0.075 -6.481 -2.737) 7.035 16.157 ( -1.487 -1.093 4.538) 4.899 16.310 ( 4.596 -5.050 -4.183) 8.008 18.172 ( -6.767 6.082 0.253) 9.102 18.215 ( -4.240 4.654 -0.222) 6.299 18.282 ( -1.701 9.201 1.434) 9.466 18.498 ( 14.872 -3.472 -1.310) 15.328 19.144 ( -8.985 -10.412 -0.367) 13.758 19.263 ( 5.150 -6.872 1.016) 8.647 19.441 ( -2.964 -5.110 -0.386) 5.920 19.516 ( 4.431 -4.111 -0.794) 6.097 19.809 ( -7.774 -6.841 0.178) 10.357 19.984 ( 12.249 -5.416 -0.285) 13.396 20.924 ( -15.250 13.046 0.013) 20.068 21.150 ( 13.343 11.858 0.345) 17.854 21.930 ( -0.547 3.367 -0.447) 3.441 21.935 ( 1.710 3.268 0.661) 3.747 22.148 ( -2.537 -6.862 4.352) 8.512 22.299 ( 2.602 -6.256 -6.975) 9.724 22.865 ( -3.052 3.960 7.769) 9.238 23.047 ( 2.380 2.656 -7.420) 8.233 23.372 ( -3.594 0.341 7.561) 8.378 23.515 ( -2.071 -1.299 -6.154) 6.621 ======================= Grid point 140 (59/86) ======================= q-point: ( 0.30 0.30 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 12.567 -0.000 9.369) 15.676 1.225 ( 13.777 -0.000 0.280) 13.779 1.348 ( 18.822 -0.000 -2.293) 18.961 1.510 ( 23.029 -0.000 -7.058) 24.086 1.985 ( 6.104 -0.000 -0.759) 6.151 2.125 ( 13.641 -0.000 3.887) 14.184 2.220 ( 21.851 -0.000 -9.584) 23.860 2.352 ( -8.310 0.000 6.812) 10.745 2.461 ( 1.518 -0.000 5.269) 5.483 2.463 ( -10.898 0.000 5.857) 12.372 2.523 ( -2.263 0.000 -3.877) 4.489 2.544 ( 19.640 -0.000 -8.004) 21.208 2.830 ( 2.589 -0.000 -0.594) 2.656 3.017 ( 4.900 -0.000 -0.420) 4.918 3.036 ( -0.820 0.000 -3.404) 3.501 3.147 ( 3.118 -0.000 3.677) 4.821 3.278 ( -7.706 0.000 -1.702) 7.892 3.405 ( -1.962 0.000 6.564) 6.851 3.488 ( -1.667 0.000 -7.754) 7.931 3.511 ( 2.400 -0.000 3.675) 4.390 3.611 ( 0.187 -0.000 -2.881) 2.887 3.672 ( 3.291 -0.000 3.025) 4.471 3.858 ( -2.595 0.000 -4.014) 4.779 3.979 ( 4.875 -0.000 2.686) 5.566 4.063 ( -18.625 0.000 6.089) 19.596 4.090 ( 3.167 -0.000 -0.164) 3.172 4.215 ( -0.206 0.000 -6.683) 6.686 4.374 ( -3.397 0.000 3.956) 5.214 4.495 ( -9.843 0.000 0.921) 9.886 4.580 ( -4.413 0.000 -0.558) 4.448 4.737 ( -2.610 0.000 -2.637) 3.710 4.763 ( -8.500 0.000 0.604) 8.522 4.889 ( -0.732 0.000 -4.762) 4.818 4.944 ( -0.906 0.000 -1.697) 1.924 5.050 ( 1.955 -0.000 0.948) 2.173 5.176 ( -8.095 0.000 6.648) 10.475 5.207 ( -6.459 0.000 -4.292) 7.756 5.230 ( -4.952 0.000 -0.384) 4.967 5.329 ( -8.294 0.000 9.680) 12.747 5.628 ( 1.526 -0.000 -9.690) 9.809 5.798 ( -0.550 0.000 2.636) 2.692 5.822 ( 1.979 -0.000 -0.788) 2.130 6.060 ( -2.430 0.000 0.970) 2.617 6.152 ( -0.501 0.000 1.049) 1.163 6.524 ( 7.194 -0.000 -1.049) 7.270 6.786 ( -0.410 0.000 4.353) 4.372 6.804 ( 10.015 -0.000 -3.103) 10.484 6.882 ( 7.878 -0.000 -2.170) 8.172 7.179 ( 6.787 -0.000 -1.013) 6.862 7.290 ( 0.086 -0.000 1.399) 1.402 7.600 ( -4.841 0.000 -1.996) 5.237 7.763 ( 7.285 -0.000 -4.139) 8.379 7.811 ( -1.142 0.000 5.535) 5.652 8.152 ( -12.145 0.000 -3.355) 12.600 8.350 ( -1.370 0.000 -4.866) 5.055 8.377 ( -6.365 0.000 9.692) 11.595 8.437 ( -1.364 0.000 -2.783) 3.099 8.497 ( -0.535 0.000 0.388) 0.660 9.149 ( 4.103 -0.000 3.583) 5.447 9.253 ( 0.825 -0.000 2.980) 3.093 9.313 ( -2.459 0.000 0.965) 2.642 9.444 ( 9.145 -0.000 -7.052) 11.548 9.941 ( -0.569 0.000 1.376) 1.489 9.981 ( -10.994 0.000 0.017) 10.994 10.147 ( 4.336 -0.000 -8.673) 9.697 10.262 ( -3.833 0.000 7.660) 8.565 10.681 ( 1.142 -0.000 2.679) 2.912 10.698 ( 2.236 -0.000 0.292) 2.255 10.995 ( 10.300 -0.000 1.718) 10.442 11.258 ( -3.121 0.000 -5.938) 6.708 11.303 ( 5.757 -0.000 0.818) 5.815 11.368 ( 7.556 -0.000 3.875) 8.492 11.564 ( -5.796 0.000 -1.467) 5.978 11.615 ( -1.344 0.000 0.340) 1.386 12.340 ( -1.385 0.000 -0.240) 1.406 12.349 ( -2.764 0.000 -0.225) 2.773 12.859 ( 12.987 -0.000 6.675) 14.602 12.861 ( 10.570 -0.000 -5.704) 12.011 13.259 ( -4.407 0.000 0.663) 4.456 13.266 ( -3.844 0.000 -1.240) 4.039 16.162 ( -5.515 0.000 1.452) 5.703 16.514 ( -20.697 0.000 1.243) 20.735 18.031 ( 8.990 -0.000 -0.507) 9.004 18.057 ( 7.712 -0.000 0.559) 7.732 18.532 ( 7.026 -0.000 4.224) 8.198 18.566 ( 5.477 -0.000 -3.556) 6.531 19.040 ( -10.951 0.000 1.324) 11.030 19.063 ( -9.235 0.000 -1.498) 9.356 19.832 ( -4.354 0.000 0.263) 4.361 19.932 ( -0.644 0.000 -1.167) 1.333 20.085 ( 0.675 -0.000 7.303) 7.334 20.688 ( 11.309 -0.000 -19.106) 22.202 21.026 ( 19.962 -0.000 -0.777) 19.978 21.146 ( 9.398 -0.000 11.929) 15.186 21.955 ( -1.514 0.000 1.309) 2.002 22.097 ( 7.159 -0.000 -1.472) 7.309 22.325 ( -9.219 0.000 12.622) 15.630 22.361 ( -0.566 0.000 -5.252) 5.283 22.473 ( -0.500 0.000 -1.808) 1.876 22.723 ( -8.340 0.000 -5.627) 10.061 22.790 ( -3.482 0.000 2.274) 4.159 22.834 ( -4.043 0.000 0.775) 4.117 ======================= Grid point 141 (60/86) ======================= q-point: ( 0.40 0.30 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( 13.320 -4.058 2.208) 14.099 1.410 ( 8.746 -5.789 0.969) 10.533 1.471 ( 13.853 0.807 2.114) 14.036 1.654 ( 19.742 2.531 -7.644) 21.321 1.953 ( 3.049 3.346 2.271) 5.064 2.143 ( -4.933 6.065 3.599) 8.606 2.243 ( -0.176 -1.818 -0.300) 1.851 2.402 ( 9.345 -4.083 -1.227) 10.271 2.463 ( 3.075 -1.782 -1.857) 4.010 2.531 ( -7.931 -9.388 -0.002) 12.290 2.609 ( 1.070 -6.072 1.443) 6.332 2.750 ( 15.300 -3.843 -3.114) 16.080 2.845 ( 7.214 -0.170 -3.428) 7.989 3.009 ( 3.594 1.385 1.559) 4.155 3.055 ( -3.984 -0.699 1.724) 4.397 3.185 ( -7.923 1.099 1.406) 8.121 3.221 ( 8.764 -1.394 -0.720) 8.904 3.365 ( -3.495 2.910 3.907) 5.995 3.447 ( -1.841 0.371 -6.333) 6.606 3.554 ( 2.532 -0.731 2.735) 3.798 3.569 ( -0.553 4.457 -0.625) 4.534 3.740 ( 8.536 0.415 0.139) 8.547 3.771 ( -2.446 3.804 -2.426) 5.132 3.915 ( -12.173 0.534 1.565) 12.284 3.979 ( 2.270 3.924 5.107) 6.829 4.116 ( -3.191 2.457 0.677) 4.084 4.174 ( 2.506 0.240 -3.824) 4.578 4.317 ( -6.583 3.096 -0.166) 7.276 4.436 ( -5.142 3.901 4.621) 7.938 4.525 ( -2.516 -1.986 -1.083) 3.383 4.660 ( -1.160 0.658 -7.160) 7.283 4.730 ( -6.848 -1.118 0.160) 6.940 4.851 ( -6.868 1.201 1.284) 7.089 4.973 ( -3.175 -3.259 -3.494) 5.737 5.079 ( -4.180 -1.464 1.319) 4.621 5.123 ( -1.985 0.143 0.195) 1.999 5.198 ( -3.897 -1.949 1.832) 4.727 5.242 ( -5.866 -2.920 4.734) 8.084 5.306 ( -0.877 -5.905 1.865) 6.255 5.620 ( 1.733 0.697 -5.665) 5.965 5.804 ( -1.969 -2.606 0.010) 3.266 5.881 ( -1.186 -2.384 1.641) 3.128 6.077 ( 4.749 -1.720 -2.450) 5.613 6.168 ( -1.115 -1.768 2.797) 3.492 6.575 ( 6.893 0.464 -1.089) 6.994 6.763 ( -0.342 1.523 2.196) 2.694 6.867 ( 8.973 1.018 -1.802) 9.208 6.962 ( 1.570 -2.343 0.473) 2.859 7.184 ( 5.264 4.351 -2.592) 7.305 7.298 ( -1.240 0.222 -0.887) 1.541 7.555 ( -4.208 1.116 0.627) 4.398 7.703 ( 4.778 5.306 -0.410) 7.152 7.829 ( -2.154 2.295 3.645) 4.816 8.027 ( -11.530 2.082 -4.167) 12.435 8.258 ( -0.441 3.254 1.669) 3.684 8.341 ( 1.976 2.985 0.244) 3.589 8.447 ( -1.318 -4.035 -1.183) 4.407 8.563 ( -3.585 -4.204 0.864) 5.592 9.107 ( 1.045 10.936 -0.426) 10.994 9.173 ( -1.821 9.445 -1.601) 9.752 9.241 ( -0.622 0.126 11.091) 11.109 9.513 ( 7.738 -1.881 -8.362) 11.547 9.888 ( -2.680 0.284 0.562) 2.753 9.948 ( -2.739 0.500 1.215) 3.038 10.204 ( 6.488 -2.170 -8.071) 10.580 10.282 ( -4.529 -3.252 6.253) 8.377 10.650 ( 2.582 3.009 0.843) 4.053 10.716 ( -1.217 0.965 1.348) 2.057 11.088 ( 9.986 -1.184 -0.002) 10.056 11.260 ( 1.265 -0.959 -2.974) 3.371 11.362 ( 5.055 0.082 0.640) 5.096 11.407 ( 4.601 0.418 3.801) 5.982 11.512 ( -4.445 0.343 -2.403) 5.065 11.619 ( -2.817 -1.780 0.240) 3.341 12.328 ( -1.427 -1.375 -0.101) 1.984 12.373 ( -1.862 -3.463 -0.170) 3.935 12.727 ( 10.103 15.649 0.035) 18.627 12.874 ( 10.634 13.528 0.836) 17.228 13.160 ( -6.157 1.694 -0.294) 6.392 13.243 ( -3.943 2.476 -0.474) 4.681 16.124 ( -5.453 -0.519 1.564) 5.697 16.349 ( -15.054 1.451 -0.511) 15.133 18.023 ( 8.286 4.820 -0.047) 9.586 18.153 ( 4.200 -1.865 0.025) 4.596 18.406 ( 12.856 4.208 0.241) 13.530 18.868 ( -1.236 -6.307 0.729) 6.469 18.980 ( -8.714 0.142 -1.127) 8.788 19.027 ( -10.551 -10.750 0.176) 15.064 19.656 ( -3.547 12.032 1.184) 12.600 19.850 ( -2.621 7.206 -5.920) 9.687 20.052 ( 3.610 6.579 13.005) 15.015 20.631 ( 8.221 8.981 -15.712) 19.877 21.112 ( 16.604 3.947 1.897) 17.172 21.311 ( 6.149 -4.925 6.649) 10.309 21.882 ( 1.510 4.118 -0.583) 4.424 22.058 ( 2.196 2.175 0.129) 3.094 22.250 ( -1.852 6.787 -0.440) 7.049 22.389 ( -4.806 -2.499 0.693) 5.461 22.594 ( -0.447 -9.005 1.317) 9.111 22.772 ( -3.362 -5.013 1.749) 6.284 22.792 ( -5.371 -10.972 -4.019) 12.860 22.889 ( -5.139 -6.054 0.989) 8.002 ======================= Grid point 142 (61/86) ======================= q-point: ( 0.50 0.30 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.552 1.260 5.994) 6.635 1.488 ( 11.497 1.934 -2.632) 11.952 1.621 ( 11.057 -5.361 -7.095) 14.189 1.706 ( 3.835 -3.029 1.721) 5.182 1.951 ( 1.797 0.348 5.627) 5.917 2.096 ( 2.602 -1.668 -2.631) 4.059 2.302 ( 4.065 -2.891 -2.067) 5.400 2.470 ( -1.607 -0.948 1.838) 2.619 2.544 ( -8.372 -5.764 0.623) 10.184 2.590 ( -3.027 -3.243 -2.852) 5.274 2.772 ( 7.124 -1.571 1.753) 7.503 2.812 ( 4.999 1.127 0.222) 5.129 2.959 ( 4.033 -1.419 -4.436) 6.161 3.017 ( -1.412 -1.383 2.361) 3.079 3.042 ( -0.769 -1.913 3.303) 3.894 3.131 ( -0.381 0.312 -2.576) 2.623 3.286 ( -2.443 0.966 1.439) 2.995 3.339 ( 7.182 -3.336 0.835) 7.963 3.419 ( -2.732 -0.953 -3.640) 4.650 3.492 ( -0.183 1.259 -1.129) 1.701 3.584 ( 2.322 1.613 4.324) 5.166 3.663 ( -1.000 2.942 -0.306) 3.122 3.726 ( 2.530 6.292 -3.038) 7.431 3.867 ( -8.096 -0.552 4.070) 9.078 3.963 ( 0.422 3.622 -2.897) 4.657 3.994 ( 7.447 3.409 0.759) 8.226 4.185 ( -5.416 4.642 -1.043) 7.209 4.232 ( -0.866 -2.760 -0.799) 3.001 4.289 ( -5.770 4.901 3.801) 8.471 4.544 ( -5.832 -2.040 -1.017) 6.262 4.633 ( 2.441 1.235 -5.754) 6.371 4.710 ( -3.062 -1.026 1.650) 3.626 4.845 ( -7.651 -4.390 3.751) 9.586 4.969 ( -2.011 -2.384 -4.083) 5.138 5.055 ( -3.785 1.306 5.163) 6.533 5.097 ( -1.200 -2.713 -3.018) 4.232 5.273 ( -0.892 -6.026 4.240) 7.422 5.345 ( -0.964 -6.500 -0.425) 6.585 5.445 ( 2.148 -6.510 -0.774) 6.899 5.623 ( 3.166 -0.395 -1.293) 3.443 5.832 ( -4.775 -2.300 0.065) 5.301 5.894 ( -2.124 -1.018 0.507) 2.410 6.159 ( 4.668 -1.764 -0.699) 5.039 6.219 ( 1.004 -3.062 0.229) 3.230 6.606 ( 5.212 1.287 -0.509) 5.393 6.736 ( -0.225 1.414 -0.282) 1.459 6.884 ( 5.771 3.804 0.964) 6.979 6.985 ( -1.143 -0.078 1.432) 1.834 7.076 ( 0.170 8.251 -0.473) 8.266 7.190 ( -2.772 9.201 -3.394) 10.191 7.497 ( 0.954 2.811 1.748) 3.446 7.651 ( 1.384 5.157 1.230) 5.479 7.758 ( -1.399 2.510 0.204) 2.881 7.885 ( -8.650 1.626 -4.692) 9.974 8.253 ( 0.438 -1.324 3.901) 4.142 8.362 ( 4.624 -2.537 -1.976) 5.632 8.513 ( 1.003 -2.797 -1.329) 3.255 8.601 ( -4.945 -3.190 1.922) 6.190 8.840 ( -1.599 14.640 1.796) 14.836 8.904 ( -2.307 13.842 -1.586) 14.122 9.311 ( 3.439 -2.419 7.474) 8.575 9.579 ( 4.082 -1.143 -7.283) 8.427 9.903 ( 1.285 -1.623 -1.010) 2.303 9.920 ( -1.127 0.410 2.011) 2.341 10.279 ( 4.928 -2.392 -4.772) 7.265 10.324 ( -4.806 -3.709 3.467) 6.990 10.610 ( 2.031 3.195 0.053) 3.786 10.665 ( -2.745 2.270 1.052) 3.714 11.166 ( 5.086 1.021 -1.176) 5.319 11.290 ( 6.515 0.278 2.343) 6.929 11.322 ( 3.159 5.727 -1.310) 6.670 11.463 ( -3.329 -0.700 -0.143) 3.405 11.487 ( 4.064 -0.244 0.323) 4.084 11.628 ( -4.239 -1.579 -0.007) 4.524 12.372 ( 1.443 -2.053 0.025) 2.509 12.430 ( -1.405 0.986 -0.057) 1.717 12.485 ( 7.074 10.425 0.519) 12.609 12.592 ( 5.669 19.407 -0.382) 20.222 13.074 ( -4.860 3.934 1.380) 6.402 13.136 ( -3.209 4.172 -1.827) 5.572 16.107 ( -3.305 -0.983 1.237) 3.663 16.232 ( -8.655 0.711 -0.853) 8.726 18.016 ( 7.069 1.971 -0.005) 7.338 18.180 ( -1.878 -0.247 -0.029) 1.894 18.497 ( 12.896 -0.352 0.412) 12.908 18.823 ( -5.817 3.628 -0.882) 6.912 18.952 ( -0.111 -1.038 1.382) 1.732 19.197 ( -10.219 -11.349 -0.876) 15.296 19.424 ( -2.546 7.436 1.950) 8.098 19.628 ( -3.719 10.105 -8.957) 14.006 19.964 ( 4.691 9.344 15.464) 18.667 20.423 ( 5.203 14.714 -10.965) 19.074 21.181 ( 14.565 1.901 1.326) 14.748 21.415 ( -0.533 -2.492 2.809) 3.793 21.871 ( 2.351 -0.855 -0.957) 2.679 22.035 ( -3.743 1.263 -2.748) 4.812 22.144 ( 2.245 3.270 3.106) 5.038 22.319 ( -3.193 4.483 -1.706) 5.762 22.770 ( 1.330 -8.283 2.498) 8.753 22.897 ( -0.990 -7.454 -1.351) 7.640 22.961 ( -3.276 -10.085 -2.330) 10.857 22.977 ( -6.669 -8.056 2.173) 10.681 ======================= Grid point 143 (62/86) ======================= q-point: ( 0.60 0.30 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( -1.237 0.331 4.077) 4.273 1.489 ( 10.611 3.820 -8.550) 14.152 1.769 ( -1.621 -5.875 4.751) 7.727 1.867 ( 0.969 -5.767 -4.799) 7.565 2.014 ( 6.630 -4.217 4.850) 9.234 2.141 ( -0.283 -2.330 -1.671) 2.881 2.393 ( 2.996 -1.258 0.882) 3.368 2.462 ( -2.100 0.065 0.716) 2.220 2.500 ( -3.018 3.224 0.030) 4.417 2.579 ( -8.735 4.607 -0.047) 9.876 2.718 ( 2.227 -1.470 4.775) 5.470 2.881 ( 3.112 0.624 -5.236) 6.123 2.969 ( 1.735 -1.120 1.884) 2.795 3.068 ( 1.808 -1.568 0.122) 2.396 3.080 ( -0.302 -0.623 -3.716) 3.780 3.123 ( -0.873 -0.771 -1.307) 1.751 3.299 ( -0.112 -0.088 4.067) 4.070 3.412 ( -3.419 0.022 -2.979) 4.535 3.474 ( 3.312 -2.092 2.413) 4.601 3.497 ( 5.020 -2.263 -0.572) 5.536 3.565 ( 1.720 6.407 -0.694) 6.670 3.612 ( -2.710 -0.455 -2.712) 3.861 3.650 ( -0.959 -0.605 2.418) 2.671 3.766 ( -5.949 -0.157 -1.029) 6.040 3.919 ( 1.046 1.619 3.222) 3.754 4.023 ( 3.664 1.907 -3.431) 5.370 4.107 ( 0.410 -1.625 -0.108) 1.680 4.151 ( -3.649 2.238 0.373) 4.297 4.324 ( 1.256 -3.138 1.118) 3.561 4.480 ( -9.397 0.518 -2.562) 9.753 4.635 ( -1.412 -0.777 5.760) 5.981 4.751 ( 4.577 -2.466 -6.354) 8.210 4.899 ( -2.561 -4.382 5.451) 7.448 5.011 ( -1.709 -2.958 -1.340) 3.670 5.091 ( -2.378 -5.495 3.029) 6.710 5.134 ( 1.991 -2.461 -5.107) 6.008 5.381 ( 0.254 -3.439 4.631) 5.774 5.447 ( 0.049 -4.959 -0.532) 4.987 5.555 ( 3.479 -2.229 -1.580) 4.423 5.670 ( 0.226 -2.377 -1.512) 2.826 5.820 ( -1.181 0.449 1.949) 2.323 5.908 ( -2.611 -2.527 -0.990) 3.766 6.183 ( 0.174 1.841 3.075) 3.588 6.277 ( 1.397 -1.584 -3.577) 4.153 6.601 ( 3.665 3.060 0.338) 4.786 6.685 ( -1.960 4.290 -1.883) 5.079 6.793 ( 0.711 8.828 4.446) 9.910 6.871 ( -0.679 10.775 -0.678) 10.818 6.957 ( 3.994 7.681 -3.619) 9.383 7.017 ( -4.671 -0.785 1.114) 4.866 7.467 ( 1.121 1.844 1.943) 2.904 7.559 ( 2.223 4.921 0.204) 5.404 7.665 ( -5.494 3.068 1.613) 6.496 7.824 ( -1.237 1.120 -7.956) 8.129 8.287 ( 1.198 1.991 5.152) 5.652 8.425 ( -0.253 4.081 -2.371) 4.727 8.548 ( -2.200 2.427 1.736) 3.708 8.582 ( 4.980 -1.161 -2.984) 5.921 8.637 ( -1.785 0.540 3.703) 4.145 8.723 ( -2.563 0.560 0.228) 2.633 9.395 ( 4.484 -0.957 4.342) 6.315 9.569 ( 0.296 2.500 -5.135) 5.719 9.923 ( 0.970 -0.916 1.277) 1.847 9.959 ( 0.665 -2.799 -1.686) 3.334 10.345 ( -2.841 -3.316 2.480) 5.022 10.370 ( 1.553 -2.687 -3.329) 4.551 10.568 ( 1.814 2.469 0.203) 3.071 10.611 ( -3.588 0.504 0.552) 3.665 11.107 ( 1.088 6.843 2.563) 7.388 11.212 ( 2.434 7.083 -4.016) 8.498 11.353 ( 6.478 0.801 2.172) 6.880 11.436 ( -2.484 0.518 0.253) 2.550 11.491 ( 4.099 3.859 0.285) 5.637 11.586 ( -4.843 2.659 -0.790) 5.582 12.204 ( 4.981 12.491 -0.015) 13.448 12.249 ( -0.323 13.917 -0.063) 13.921 12.494 ( 1.089 -5.134 1.633) 5.497 12.563 ( -0.203 -5.864 -1.409) 6.034 12.951 ( -1.509 5.595 2.049) 6.147 13.033 ( -2.558 3.819 -2.400) 5.185 16.112 ( -0.610 -0.867 1.025) 1.474 16.175 ( -4.096 -0.097 -0.809) 4.176 18.058 ( 5.933 -0.826 0.079) 5.990 18.156 ( -5.380 -0.962 -0.108) 5.466 18.571 ( 6.020 0.968 1.197) 6.214 18.689 ( -3.172 5.044 -2.814) 6.589 18.995 ( 4.243 0.943 6.499) 7.819 19.278 ( -2.044 -3.652 -3.676) 5.571 19.390 ( -5.568 -5.426 0.250) 7.778 19.409 ( -2.037 6.193 -7.348) 9.824 19.834 ( 2.131 10.454 12.734) 16.612 20.117 ( 1.304 16.902 -7.243) 18.435 21.283 ( 12.835 -0.844 0.351) 12.868 21.430 ( -7.092 -2.236 1.347) 7.558 21.910 ( 1.985 -0.856 -1.394) 2.572 21.953 ( -2.514 3.145 -1.409) 4.265 22.127 ( -0.409 1.744 3.854) 4.250 22.217 ( -0.384 3.071 -2.846) 4.204 22.922 ( 2.355 -5.160 1.656) 5.909 22.996 ( -1.199 -3.984 -1.379) 4.383 23.096 ( -3.925 -8.121 2.048) 9.249 23.125 ( -0.605 -8.729 -1.718) 8.917 ======================= Grid point 144 (63/86) ======================= q-point: (-0.30 -0.70 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.437 ( 3.974 -0.466 -0.646) 4.053 1.508 ( 3.434 -2.355 -7.471) 8.553 1.798 ( -8.226 1.822 4.707) 9.651 1.883 ( 3.604 2.404 -2.328) 4.918 2.130 ( -7.273 -2.538 11.250) 13.635 2.229 ( -0.801 -0.185 -0.041) 0.823 2.268 ( -0.204 6.624 0.809) 6.676 2.390 ( 5.464 6.903 -5.883) 10.588 2.468 ( 2.527 -1.364 2.017) 3.509 2.511 ( -4.302 -3.123 -1.152) 5.439 2.848 ( 3.407 -4.303 0.306) 5.497 2.894 ( -2.137 -5.375 -2.522) 6.310 2.956 ( -1.167 4.795 3.427) 6.008 3.046 ( 0.004 1.977 -3.311) 3.856 3.098 ( -0.547 -1.628 1.736) 2.442 3.164 ( 4.071 -0.907 -3.977) 5.764 3.252 ( 1.769 3.620 1.690) 4.369 3.316 ( 1.232 10.281 -2.679) 10.696 3.427 ( -4.032 -1.431 3.402) 5.466 3.507 ( 0.578 -1.228 -2.522) 2.864 3.578 ( -5.585 1.178 1.836) 5.996 3.631 ( 6.040 -1.818 -2.998) 6.984 3.692 ( -1.348 -4.187 4.958) 6.628 3.785 ( 1.398 -1.328 -3.229) 3.761 3.989 ( 3.075 -4.836 1.054) 5.827 4.021 ( -2.655 -1.376 -1.687) 3.434 4.097 ( -6.415 -0.641 3.795) 7.481 4.191 ( 7.755 -3.720 -4.244) 9.592 4.401 ( 0.669 -3.281 1.785) 3.795 4.435 ( -3.050 -2.256 -0.725) 3.862 4.663 ( -3.960 -3.016 6.397) 8.106 4.817 ( 4.329 -2.265 -6.965) 8.508 4.963 ( 0.714 -1.808 2.407) 3.094 5.034 ( -1.586 -0.934 -3.630) 4.070 5.166 ( -3.025 -5.190 3.740) 7.076 5.246 ( 3.131 -5.319 -1.819) 6.435 5.439 ( 0.714 -0.981 5.162) 5.302 5.507 ( 0.991 -0.424 -0.654) 1.261 5.576 ( 2.405 1.497 1.359) 3.142 5.667 ( -7.217 -0.895 -5.390) 9.052 5.838 ( 3.016 -0.294 4.166) 5.151 5.930 ( -1.235 -1.500 -4.299) 4.718 6.141 ( 2.498 2.375 5.015) 6.085 6.251 ( -1.157 4.156 -4.992) 6.597 6.455 ( -1.212 12.068 4.820) 13.052 6.552 ( 1.178 11.061 -4.097) 11.854 6.659 ( -5.984 1.476 1.703) 6.394 6.710 ( 5.203 3.260 -2.812) 6.753 6.906 ( 4.195 3.898 4.423) 7.236 6.992 ( -3.542 0.893 -3.231) 4.877 7.448 ( -4.890 -0.678 2.610) 5.584 7.524 ( 6.999 2.068 -1.280) 7.409 7.604 ( -3.995 -0.385 3.817) 5.539 7.768 ( 3.448 2.884 -8.438) 9.560 8.186 ( -4.033 9.583 1.645) 10.527 8.239 ( 5.003 6.053 -2.500) 8.241 8.580 ( -3.670 -3.941 4.325) 6.907 8.653 ( -2.158 -3.845 0.900) 4.500 8.724 ( 2.489 -3.381 1.930) 4.621 8.771 ( -0.681 -6.921 0.469) 6.970 9.415 ( 1.051 2.275 0.589) 2.574 9.487 ( 1.469 4.635 -4.890) 6.896 9.945 ( -4.839 -1.700 3.561) 6.244 10.021 ( 4.909 -2.076 -3.102) 6.167 10.369 ( -3.262 -0.981 1.722) 3.817 10.413 ( 2.188 -0.199 -2.740) 3.512 10.566 ( 0.296 -1.473 2.697) 3.087 10.614 ( -0.333 -3.141 -1.632) 3.555 10.973 ( -0.658 7.082 4.199) 8.259 11.078 ( 0.960 6.699 -5.075) 8.459 11.301 ( -1.993 7.064 3.322) 8.056 11.358 ( 1.825 8.164 -1.972) 8.595 11.479 ( -3.608 -0.143 0.695) 3.677 11.494 ( 3.482 0.667 -0.580) 3.592 12.050 ( -0.244 6.006 0.368) 6.022 12.059 ( 0.210 6.069 -0.396) 6.086 12.606 ( 0.720 -3.993 1.902) 4.481 12.649 ( -0.860 -3.179 -1.884) 3.794 12.873 ( 0.590 2.275 3.395) 4.129 12.954 ( -0.490 1.167 -3.473) 3.696 16.129 ( 1.054 -0.137 1.492) 1.832 16.162 ( -1.019 -1.009 -1.350) 1.970 18.136 ( 1.670 -2.677 0.627) 3.217 18.151 ( -1.867 -2.827 -0.647) 3.449 18.567 ( -3.631 0.498 1.117) 3.831 18.608 ( 4.739 2.949 -2.654) 6.180 18.977 ( -1.027 3.607 9.015) 9.764 19.199 ( -0.144 5.211 -11.005) 12.177 19.455 ( -1.237 -5.718 0.968) 5.930 19.479 ( 0.572 -6.218 -1.012) 6.325 19.673 ( 1.723 8.494 7.663) 11.569 19.800 ( -0.702 13.518 -4.020) 14.121 21.387 ( -4.183 -0.290 1.322) 4.397 21.410 ( 3.944 -1.483 -0.480) 4.241 21.886 ( -0.126 2.033 0.203) 2.047 21.921 ( 0.953 -0.175 -3.033) 3.184 22.102 ( -0.378 0.654 3.798) 3.873 22.169 ( -0.373 1.916 -2.245) 2.976 23.014 ( 1.193 -2.021 0.493) 2.398 23.031 ( -0.471 -1.600 -0.472) 1.733 23.216 ( -2.321 -6.000 2.699) 6.976 23.275 ( 1.667 -6.755 -2.334) 7.339 ======================= Grid point 145 (64/86) ======================= q-point: (-0.20 0.30 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -1.494 3.208 5.692) 6.703 1.596 ( 3.177 0.995 -7.242) 7.970 1.608 ( -6.951 5.331 0.440) 8.771 1.792 ( 4.558 10.751 -1.969) 11.842 1.990 ( -4.686 6.373 6.265) 10.091 2.126 ( 1.186 6.534 0.252) 6.645 2.244 ( -3.253 -1.986 0.424) 3.835 2.392 ( 5.795 2.025 -0.348) 6.148 2.507 ( 1.050 2.282 -3.401) 4.228 2.583 ( 6.607 -3.850 -2.925) 8.187 2.843 ( -0.979 -0.657 5.250) 5.381 2.890 ( -4.429 3.815 3.892) 7.022 2.956 ( -1.222 3.450 -2.541) 4.456 3.032 ( 5.101 1.815 -1.047) 5.515 3.097 ( -1.526 -0.019 -1.211) 1.948 3.121 ( 0.559 -1.625 -0.886) 1.933 3.227 ( 1.851 0.328 1.574) 2.452 3.326 ( 5.237 -4.597 -4.088) 8.079 3.432 ( -2.627 -1.153 3.661) 4.651 3.503 ( -4.315 0.194 -1.012) 4.437 3.561 ( 2.378 0.872 -2.871) 3.829 3.634 ( 2.612 1.367 -3.570) 4.631 3.764 ( -6.162 -4.755 4.587) 9.035 3.855 ( 3.439 -4.385 3.212) 6.432 3.973 ( -0.913 3.443 -0.402) 3.584 4.060 ( 2.201 1.344 -2.145) 3.354 4.097 ( -6.155 -4.341 -0.017) 7.532 4.337 ( 9.347 -2.390 -5.078) 10.903 4.451 ( -3.629 -4.508 5.598) 8.052 4.524 ( 2.848 -5.329 1.742) 6.288 4.710 ( -6.638 -4.275 1.912) 8.124 4.862 ( 3.919 0.130 -4.953) 6.318 4.995 ( -0.640 -1.150 -1.138) 1.740 5.041 ( 0.890 -1.723 -2.090) 2.851 5.211 ( -4.792 1.420 4.194) 6.525 5.324 ( 1.953 -2.527 1.431) 3.500 5.449 ( -0.722 -0.499 -0.037) 0.878 5.511 ( 3.358 0.449 1.175) 3.586 5.564 ( -3.266 1.850 0.190) 3.758 5.593 ( -1.410 1.943 -2.159) 3.229 5.848 ( -4.567 -1.578 1.810) 5.160 5.972 ( 6.221 -1.687 -1.472) 6.612 6.115 ( -4.036 4.412 -0.898) 6.046 6.166 ( 5.003 2.416 2.510) 6.096 6.285 ( 3.736 6.824 0.264) 7.784 6.303 ( 1.555 10.115 -3.065) 10.683 6.637 ( -4.186 -1.148 1.102) 4.479 6.744 ( 4.307 -2.350 -1.314) 5.079 6.845 ( 1.171 5.964 5.538) 8.223 6.922 ( 0.478 3.071 -4.678) 5.616 7.439 ( -3.893 -1.786 1.930) 4.697 7.543 ( 3.571 1.003 -0.133) 3.712 7.653 ( 0.313 -5.701 -1.776) 5.979 7.761 ( 6.384 0.196 -2.319) 6.795 7.995 ( -6.763 5.413 3.535) 9.356 8.221 ( 8.288 1.574 -7.212) 11.099 8.618 ( -6.483 -3.384 4.249) 8.458 8.707 ( -4.904 -3.935 1.670) 6.506 8.784 ( -2.593 -3.120 3.702) 5.492 8.906 ( 1.119 -4.836 2.968) 5.783 9.339 ( -3.802 2.975 -2.626) 5.496 9.408 ( 4.188 4.981 -6.268) 9.035 9.925 ( -6.486 -0.377 2.915) 7.121 10.084 ( 6.093 0.807 -0.961) 6.221 10.339 ( -0.533 2.075 1.762) 2.773 10.407 ( 2.568 1.512 -2.347) 3.794 10.646 ( 0.344 -5.866 1.554) 6.078 10.697 ( 2.128 -3.814 -1.000) 4.480 10.867 ( -1.571 3.953 3.830) 5.724 10.978 ( 1.273 2.855 -4.820) 5.745 11.148 ( -5.943 4.753 1.562) 7.768 11.190 ( -2.090 6.789 -0.009) 7.104 11.478 ( -1.751 -1.904 0.240) 2.598 11.547 ( 4.243 -1.665 -0.295) 4.568 11.958 ( -1.397 3.775 -0.041) 4.025 11.973 ( 0.435 3.216 -0.014) 3.246 12.613 ( -1.099 2.168 0.813) 2.563 12.662 ( 2.256 2.614 -1.240) 3.669 12.898 ( -3.280 -5.414 2.917) 6.970 13.000 ( 2.942 -4.682 -2.499) 6.068 16.139 ( 1.020 0.180 2.364) 2.581 16.190 ( 1.502 -1.945 -2.300) 3.366 18.153 ( -6.279 -2.686 -0.161) 6.831 18.255 ( 6.471 -3.602 0.520) 7.424 18.523 ( -2.992 1.460 -1.147) 3.521 18.590 ( 3.992 3.702 -0.826) 5.506 18.917 ( -5.483 0.822 6.641) 8.651 19.111 ( 3.416 1.896 -6.608) 7.676 19.432 ( -7.428 3.569 1.725) 8.419 19.546 ( 4.884 1.177 0.199) 5.028 19.578 ( -9.237 -0.488 -0.471) 9.262 19.771 ( 14.709 -4.416 0.228) 15.359 21.262 ( -14.177 4.148 0.198) 14.773 21.466 ( 10.280 3.724 -0.026) 10.934 21.892 ( -0.357 -2.697 1.742) 3.230 21.946 ( 0.962 -2.409 -2.656) 3.712 22.091 ( -0.796 2.503 1.807) 3.188 22.138 ( 0.798 -0.737 -1.716) 2.031 22.999 ( -1.229 2.183 2.218) 3.346 23.076 ( 1.888 -1.222 -2.518) 3.376 23.298 ( -2.400 -3.786 3.483) 5.677 23.393 ( 1.309 -4.665 -2.644) 5.520 ======================= Grid point 146 (65/86) ======================= q-point: (-0.10 0.30 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( -8.608 13.547 3.719) 16.476 1.358 ( 0.384 11.436 4.135) 12.166 1.587 ( 4.250 12.858 2.266) 13.731 1.661 ( 4.970 1.357 -2.531) 5.740 1.928 ( 3.866 2.028 -2.167) 4.874 2.097 ( 4.448 -1.886 -7.520) 8.939 2.219 ( 1.113 4.176 -1.740) 4.659 2.309 ( 10.564 9.551 0.668) 14.258 2.500 ( 1.189 0.640 1.964) 2.384 2.588 ( -0.775 9.609 3.460) 10.242 2.746 ( -0.747 1.833 4.476) 4.894 2.890 ( 2.531 6.326 -5.324) 8.647 2.927 ( -2.565 0.177 0.562) 2.631 2.941 ( 3.741 0.291 2.507) 4.513 3.125 ( 1.608 -2.620 -0.690) 3.150 3.235 ( -1.082 -4.396 0.512) 4.556 3.259 ( 4.350 -0.242 -2.758) 5.157 3.323 ( 0.951 4.102 -2.696) 5.000 3.419 ( -7.532 1.777 0.377) 7.748 3.521 ( 0.109 -6.174 -1.557) 6.368 3.572 ( 0.652 -3.264 -0.155) 3.332 3.668 ( 2.079 -1.975 -2.395) 3.736 3.813 ( -7.351 -3.595 5.449) 9.831 3.876 ( -2.289 2.386 -0.281) 3.318 3.993 ( 4.929 -2.697 4.571) 7.243 4.036 ( -2.288 -0.357 2.599) 3.481 4.117 ( -1.895 -1.742 -5.859) 6.400 4.383 ( -0.216 -1.637 0.398) 1.699 4.536 ( 2.834 -1.952 3.038) 4.590 4.631 ( -1.715 -0.070 -3.280) 3.702 4.679 ( -4.289 0.258 0.282) 4.306 4.891 ( 4.426 -2.010 -3.095) 5.763 4.999 ( -0.421 -0.208 -1.465) 1.538 5.071 ( -5.378 2.639 3.280) 6.830 5.089 ( -2.816 0.367 0.754) 2.938 5.394 ( -3.181 1.799 2.730) 4.562 5.440 ( -2.708 2.902 -2.982) 4.965 5.445 ( 4.690 0.661 -2.098) 5.180 5.526 ( -2.163 0.182 2.297) 3.160 5.649 ( 4.618 -5.129 0.994) 6.973 5.868 ( -3.578 -3.755 -0.220) 5.191 6.004 ( 3.571 7.371 1.372) 8.305 6.044 ( 4.804 -0.275 -2.223) 5.301 6.085 ( -0.562 0.972 0.216) 1.143 6.241 ( 3.229 1.639 -0.752) 3.699 6.327 ( 10.105 -4.109 -1.450) 11.004 6.644 ( -1.878 -0.593 3.523) 4.036 6.750 ( -0.375 3.196 2.255) 3.929 6.799 ( 4.528 0.390 -2.905) 5.394 6.920 ( 5.994 -1.355 -0.894) 6.210 7.458 ( -0.424 -0.690 3.527) 3.619 7.557 ( 3.327 -0.894 -4.977) 6.053 7.762 ( -0.181 -4.383 -1.665) 4.692 7.840 ( 0.893 -3.555 -1.044) 3.811 7.915 ( -2.775 -2.768 6.860) 7.901 8.244 ( 7.776 1.475 -8.591) 11.682 8.633 ( -7.138 -3.151 3.161) 8.419 8.734 ( -7.649 -3.977 2.970) 9.118 8.810 ( -3.503 -1.180 1.112) 3.860 8.975 ( -3.054 -1.531 8.826) 9.464 9.258 ( -3.661 1.270 -3.255) 5.061 9.339 ( 5.189 3.974 -8.464) 10.694 9.880 ( -4.097 0.840 1.734) 4.527 10.050 ( 4.476 6.260 -0.154) 7.697 10.330 ( 1.820 -0.829 -0.186) 2.008 10.411 ( 2.568 0.184 0.326) 2.595 10.719 ( -4.157 2.811 1.829) 5.341 10.783 ( 2.877 -5.838 -1.314) 6.640 10.845 ( 4.431 -2.429 -0.721) 5.105 10.923 ( 0.021 4.517 0.740) 4.577 11.085 ( -4.514 -3.427 -0.254) 5.673 11.118 ( -2.397 -1.589 0.264) 2.888 11.513 ( -1.332 -2.777 -0.098) 3.081 11.625 ( 3.871 -3.523 -0.402) 5.250 11.887 ( 0.012 2.597 0.147) 2.601 11.927 ( 1.143 2.348 0.008) 2.611 12.554 ( -0.030 3.351 1.183) 3.554 12.605 ( 1.070 3.646 -1.348) 4.031 13.011 ( -3.521 -7.919 1.208) 8.750 13.122 ( 1.329 -5.888 -1.029) 6.123 16.153 ( 1.039 -0.201 2.812) 3.004 16.251 ( 2.832 -3.375 -2.790) 5.215 18.124 ( -7.803 0.232 -0.583) 7.828 18.316 ( -0.058 3.296 2.025) 3.869 18.477 ( 1.004 8.950 -1.505) 9.131 18.527 ( 8.817 -2.921 -0.665) 9.312 18.912 ( -8.002 -5.083 1.953) 9.679 19.193 ( 6.754 -6.298 -1.064) 9.296 19.335 ( -6.491 0.046 -0.557) 6.515 19.512 ( -0.328 -0.121 0.772) 0.847 19.637 ( -1.921 -5.775 -0.330) 6.095 19.986 ( 13.552 -5.134 -0.002) 14.492 21.017 ( -14.139 9.054 -0.351) 16.793 21.433 ( 9.559 7.649 0.587) 12.257 21.958 ( -0.878 -2.974 -0.293) 3.114 21.982 ( 0.264 1.542 -0.596) 1.674 22.044 ( -1.331 -1.421 4.229) 4.656 22.194 ( 2.123 -4.215 -4.895) 6.799 22.937 ( -1.645 3.754 4.826) 6.332 23.086 ( 2.039 0.954 -5.047) 5.526 23.338 ( -3.839 -1.862 4.586) 6.264 23.455 ( -1.412 -2.173 -3.127) 4.061 ======================= Grid point 151 (66/86) ======================= q-point: ( 0.40 0.40 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.341 ( 8.530 -0.000 3.433) 9.195 1.407 ( 8.360 -0.000 -1.360) 8.470 1.620 ( 15.736 -0.000 0.390) 15.741 1.822 ( 17.458 -0.000 -3.464) 17.798 2.040 ( 2.265 -0.000 0.320) 2.287 2.183 ( -6.147 0.000 0.814) 6.201 2.212 ( -9.090 0.000 4.420) 10.108 2.260 ( -7.755 0.000 0.732) 7.790 2.441 ( 1.886 -0.000 -6.926) 7.178 2.446 ( -4.103 0.000 2.273) 4.690 2.609 ( 17.744 -0.000 -3.903) 18.168 2.830 ( 12.866 -0.000 -1.864) 13.001 2.888 ( 4.266 -0.000 -2.221) 4.809 3.017 ( -9.349 0.000 6.215) 11.226 3.018 ( -1.531 0.000 3.027) 3.392 3.145 ( -2.261 0.000 -3.391) 4.076 3.295 ( 10.985 -0.000 -0.149) 10.986 3.349 ( -7.588 0.000 7.917) 10.966 3.446 ( 2.760 -0.000 -11.729) 12.049 3.561 ( -0.748 0.000 2.349) 2.466 3.687 ( 11.851 -0.000 -3.418) 12.334 3.786 ( -13.872 0.000 6.241) 15.211 3.793 ( -3.223 0.000 -2.970) 4.383 3.813 ( 9.987 -0.000 3.999) 10.758 4.054 ( 0.430 -0.000 3.247) 3.276 4.119 ( 0.549 -0.000 -0.838) 1.002 4.246 ( 5.279 -0.000 -5.614) 7.706 4.317 ( -7.229 0.000 5.708) 9.211 4.354 ( -6.089 0.000 0.760) 6.137 4.520 ( -2.457 0.000 -1.129) 2.704 4.610 ( -10.226 0.000 0.282) 10.230 4.669 ( -3.815 0.000 -3.668) 5.293 4.853 ( -7.841 0.000 -0.170) 7.843 4.857 ( -0.731 0.000 -4.956) 5.010 5.065 ( -2.149 0.000 -1.190) 2.456 5.066 ( -4.931 0.000 1.059) 5.044 5.140 ( -8.406 0.000 7.417) 11.211 5.164 ( 5.492 -0.000 -5.182) 7.551 5.306 ( -2.019 0.000 9.672) 9.881 5.590 ( 0.187 -0.000 -10.415) 10.417 5.816 ( 2.007 -0.000 -0.115) 2.010 5.824 ( -3.393 0.000 4.530) 5.660 6.095 ( 6.957 -0.000 -3.901) 7.976 6.139 ( -3.102 0.000 3.925) 5.003 6.635 ( 6.911 -0.000 -1.031) 6.987 6.777 ( -1.291 0.000 1.491) 1.972 6.933 ( 6.441 -0.000 -1.884) 6.711 6.953 ( 1.426 -0.000 1.041) 1.765 7.262 ( 4.741 -0.000 -4.413) 6.477 7.286 ( -1.064 0.000 -0.393) 1.135 7.526 ( -2.559 0.000 3.070) 3.997 7.813 ( 0.826 -0.000 0.671) 1.064 7.826 ( -0.826 0.000 4.421) 4.498 7.950 ( -9.944 0.000 -6.179) 11.707 8.322 ( 1.600 -0.000 -4.500) 4.776 8.356 ( -1.915 0.000 6.783) 7.048 8.386 ( -3.563 0.000 0.793) 3.650 8.503 ( 0.750 -0.000 -1.666) 1.827 9.221 ( 2.713 -0.000 1.687) 3.195 9.255 ( -1.920 0.000 2.160) 2.890 9.267 ( -2.915 0.000 4.713) 5.542 9.505 ( 2.504 -0.000 -8.037) 8.418 9.890 ( -0.410 0.000 -0.368) 0.551 9.917 ( -2.343 0.000 1.218) 2.641 10.226 ( -5.229 0.000 7.599) 9.225 10.235 ( 9.876 -0.000 -9.601) 13.774 10.694 ( -1.300 0.000 3.762) 3.980 10.728 ( 1.734 -0.000 -1.078) 2.042 11.184 ( 11.823 -0.000 1.110) 11.875 11.225 ( 1.672 -0.000 -2.696) 3.172 11.380 ( 2.231 -0.000 1.971) 2.977 11.455 ( -6.506 0.000 -2.238) 6.880 11.480 ( 4.046 -0.000 2.362) 4.685 11.584 ( -2.002 0.000 -1.033) 2.252 12.302 ( -2.835 0.000 0.810) 2.948 12.317 ( -0.930 0.000 -0.928) 1.314 12.990 ( 8.209 -0.000 -2.826) 8.682 13.025 ( 5.040 -0.000 3.978) 6.421 13.196 ( -3.363 0.000 -0.399) 3.386 13.201 ( -3.580 0.000 -0.775) 3.663 16.079 ( -4.726 0.000 2.093) 5.169 16.244 ( -12.288 0.000 -1.298) 12.356 18.156 ( 5.930 -0.000 0.354) 5.941 18.164 ( 5.409 -0.000 -0.375) 5.422 18.631 ( 4.126 -0.000 -1.807) 4.504 18.634 ( 4.190 -0.000 2.072) 4.674 18.901 ( -6.946 0.000 0.949) 7.010 18.921 ( -7.333 0.000 -1.216) 7.434 19.777 ( -2.323 0.000 0.478) 2.371 19.887 ( -3.134 0.000 -3.645) 4.807 20.160 ( 2.233 -0.000 13.495) 13.678 20.727 ( 4.928 -0.000 -20.485) 21.069 21.282 ( 2.012 -0.000 9.874) 10.077 21.312 ( 15.927 -0.000 -0.843) 15.950 21.932 ( -2.846 0.000 4.622) 5.428 22.211 ( 7.710 -0.000 -4.631) 8.994 22.248 ( -7.091 0.000 11.047) 13.127 22.324 ( -0.285 0.000 -6.999) 7.005 22.474 ( 1.064 -0.000 -0.931) 1.414 22.578 ( -7.063 0.000 -2.450) 7.476 22.754 ( -2.045 0.000 1.478) 2.524 22.783 ( -2.295 0.000 -0.188) 2.303 ======================= Grid point 152 (67/86) ======================= q-point: ( 0.50 0.40 -0.67) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( -0.008 -2.216 6.106) 6.496 1.510 ( 6.863 -4.773 -4.957) 9.718 1.671 ( 6.240 5.414 5.522) 9.937 1.866 ( 10.220 6.233 -8.766) 14.838 1.995 ( 0.607 2.198 3.692) 4.340 2.087 ( -0.003 -0.597 -2.953) 3.013 2.264 ( -4.272 -5.491 2.909) 7.541 2.315 ( -1.071 -4.982 0.294) 5.104 2.441 ( -2.920 -2.855 0.433) 4.107 2.470 ( -2.408 -4.610 -4.221) 6.698 2.799 ( 17.413 -4.031 -4.160) 18.351 2.859 ( -3.692 1.352 4.070) 5.658 2.936 ( -2.504 -1.384 -0.638) 2.931 2.966 ( -0.646 -2.341 -0.040) 2.429 3.017 ( -3.539 -0.301 5.974) 6.951 3.134 ( 1.739 0.143 -4.956) 5.254 3.278 ( -6.411 1.771 6.902) 9.585 3.378 ( 8.018 -0.111 -0.538) 8.037 3.423 ( 3.750 2.925 -7.706) 9.056 3.517 ( -3.856 2.093 -1.089) 4.521 3.664 ( -2.418 2.992 3.549) 5.234 3.733 ( -0.358 2.965 -2.157) 3.684 3.784 ( 6.652 -0.288 1.762) 6.887 3.918 ( 7.129 5.218 2.572) 9.202 3.994 ( -4.439 1.077 -0.536) 4.599 4.098 ( -0.495 1.119 -1.506) 1.940 4.179 ( -3.088 4.677 3.362) 6.536 4.246 ( 2.238 0.810 -1.929) 3.064 4.385 ( -2.981 3.826 3.851) 6.193 4.482 ( -0.844 -0.754 -2.988) 3.195 4.579 ( -8.434 -4.035 1.079) 9.412 4.638 ( -1.008 -2.542 -5.215) 5.889 4.771 ( -3.601 1.807 3.625) 5.419 4.907 ( -1.516 -2.983 -6.507) 7.317 5.030 ( -1.956 -1.496 1.352) 2.810 5.055 ( -3.330 -0.651 0.781) 3.482 5.171 ( -0.947 -2.629 2.894) 4.023 5.200 ( -1.764 -4.982 1.290) 5.440 5.373 ( 4.678 -5.126 3.296) 7.682 5.593 ( -1.790 -2.087 -7.695) 8.171 5.790 ( -0.712 0.344 4.178) 4.252 5.859 ( -0.490 -1.422 -0.481) 1.579 6.143 ( -2.432 -2.507 3.266) 4.782 6.172 ( 5.695 -2.356 -3.631) 7.153 6.672 ( 5.454 1.211 -0.467) 5.606 6.755 ( -1.173 1.058 -0.944) 1.840 6.962 ( -2.512 -0.480 2.675) 3.701 6.964 ( 3.673 0.760 -0.694) 3.814 7.226 ( 1.043 5.151 -1.126) 5.375 7.271 ( 0.267 2.287 -3.883) 4.515 7.535 ( 0.921 0.062 5.645) 5.720 7.772 ( 1.852 4.788 1.118) 5.254 7.799 ( -0.480 1.127 -0.643) 1.384 7.839 ( -8.980 2.859 -3.883) 10.193 8.277 ( 0.642 2.751 2.059) 3.496 8.336 ( -1.650 -0.692 -0.791) 1.956 8.454 ( 2.002 -4.458 1.043) 4.997 8.523 ( -1.282 -1.863 -1.300) 2.608 9.100 ( -1.047 11.749 0.847) 11.826 9.133 ( -1.277 10.495 -0.894) 10.610 9.301 ( 1.483 -2.346 8.354) 8.803 9.533 ( 0.446 -2.836 -7.415) 7.952 9.896 ( 2.095 -0.431 -0.450) 2.186 9.918 ( -0.853 -0.609 0.065) 1.050 10.221 ( -6.729 -2.268 6.997) 9.969 10.298 ( 8.572 -0.913 -8.679) 12.233 10.665 ( -2.297 2.153 3.971) 5.067 10.712 ( 1.067 2.509 -1.464) 3.095 11.218 ( 6.295 0.621 -0.566) 6.351 11.332 ( 7.174 -2.053 1.878) 7.694 11.354 ( -5.485 -0.012 -1.640) 5.725 11.452 ( -1.587 -1.279 0.594) 2.123 11.501 ( 3.980 -0.248 -0.122) 3.989 11.563 ( -3.823 -0.086 -0.269) 3.834 12.310 ( -0.791 -2.584 0.924) 2.856 12.344 ( -0.997 -3.348 -0.957) 3.622 12.864 ( 6.627 14.403 1.014) 15.887 12.977 ( 0.257 15.658 -1.017) 15.694 13.093 ( -0.181 0.490 1.059) 1.181 13.178 ( -3.490 2.550 -1.231) 4.494 16.067 ( -1.988 -1.011 2.358) 3.245 16.167 ( -6.389 -0.373 -1.924) 6.683 18.136 ( 5.378 4.113 0.042) 6.770 18.186 ( -0.419 1.562 -0.050) 1.618 18.606 ( 12.140 0.516 0.063) 12.152 18.795 ( -11.959 -1.415 -0.103) 12.043 18.859 ( -0.456 -6.342 1.637) 6.565 18.936 ( -2.482 -5.926 -1.774) 6.665 19.628 ( -0.685 11.710 2.434) 11.980 19.770 ( -3.057 8.309 -6.619) 11.055 20.171 ( 2.583 4.588 15.896) 16.746 20.638 ( 2.328 7.204 -17.536) 19.100 21.310 ( 4.036 0.546 5.779) 7.070 21.414 ( 6.529 0.861 -0.485) 6.603 21.897 ( -1.015 1.616 4.189) 4.603 22.068 ( 0.287 6.577 -3.940) 7.672 22.228 ( -2.924 3.439 5.221) 6.902 22.344 ( 1.279 -0.092 -4.758) 4.928 22.599 ( -0.140 -9.222 1.731) 9.384 22.678 ( -3.926 -12.355 -1.965) 13.112 22.776 ( 0.405 -5.116 1.126) 5.254 22.830 ( -2.302 -4.746 -0.484) 5.297 ======================= Grid point 153 (68/86) ======================= q-point: (-0.40 -0.60 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( -6.992 1.552 8.770) 11.323 1.542 ( -4.248 -1.200 4.499) 6.303 1.729 ( 5.621 0.137 -9.006) 10.617 1.791 ( 8.638 -0.983 -9.458) 12.847 2.018 ( 2.551 -1.046 3.867) 4.749 2.119 ( 1.965 -1.167 -4.373) 4.934 2.303 ( -11.763 -4.860 6.956) 14.505 2.420 ( 7.384 -1.804 -2.046) 7.872 2.504 ( 1.599 -3.958 -0.279) 4.278 2.538 ( -3.288 -2.835 -2.374) 4.948 2.754 ( -7.469 3.019 9.512) 12.465 2.920 ( -4.298 2.057 -0.365) 4.779 2.976 ( 2.015 -3.299 1.338) 4.091 2.995 ( 3.797 -2.691 -1.505) 4.891 3.045 ( 1.283 -2.932 -0.523) 3.243 3.127 ( 1.244 1.127 -4.387) 4.697 3.284 ( 1.230 -2.908 2.768) 4.199 3.386 ( 1.676 0.706 -6.616) 6.862 3.435 ( 1.182 -2.254 0.680) 2.634 3.475 ( -0.148 -0.254 -1.516) 1.544 3.602 ( -0.426 2.123 3.111) 3.790 3.675 ( -0.644 1.463 -1.332) 2.080 3.748 ( -7.781 7.476 4.533) 11.704 3.790 ( 7.747 7.382 0.183) 10.703 3.992 ( 3.625 3.512 -0.283) 5.055 4.027 ( -8.748 -1.092 -2.319) 9.116 4.143 ( 4.763 1.644 0.251) 5.045 4.171 ( -0.892 4.635 -1.885) 5.083 4.372 ( 9.066 1.294 1.312) 9.251 4.435 ( -5.535 2.379 -3.436) 6.936 4.585 ( -9.406 -2.453 6.587) 11.742 4.716 ( 5.567 -4.324 -5.864) 9.169 4.782 ( -2.066 -4.159 7.458) 8.785 4.939 ( 0.963 -3.449 -4.659) 5.876 5.034 ( -0.901 -0.453 2.355) 2.562 5.093 ( 2.812 -2.362 -3.604) 5.145 5.280 ( 0.118 -6.608 3.618) 7.534 5.316 ( -1.219 -7.991 0.732) 8.116 5.524 ( 4.526 -4.943 0.558) 6.725 5.589 ( -5.806 -2.004 -4.445) 7.582 5.811 ( 0.900 -1.257 4.175) 4.452 5.873 ( 0.484 -0.651 -1.329) 1.557 6.195 ( -1.128 -2.983 0.938) 3.324 6.233 ( 1.631 -1.334 -2.178) 3.030 6.668 ( 1.861 2.234 1.115) 3.114 6.720 ( -0.863 1.580 -3.632) 4.053 6.935 ( -1.467 2.226 2.967) 3.989 6.964 ( -1.985 0.407 2.185) 2.980 7.078 ( 0.933 10.275 0.297) 10.321 7.155 ( 1.895 8.984 -4.719) 10.323 7.534 ( 1.235 3.357 5.474) 6.539 7.681 ( 0.009 5.119 -6.850) 8.551 7.691 ( -4.526 3.509 5.431) 7.893 7.820 ( 4.122 -0.362 -6.196) 7.450 8.263 ( -2.990 -1.816 6.668) 7.530 8.383 ( 0.805 -4.196 -3.529) 5.541 8.541 ( -1.484 -1.488 0.320) 2.126 8.552 ( 1.955 -3.475 -0.006) 3.987 8.831 ( -0.285 14.669 2.123) 14.824 8.880 ( 0.138 13.555 -1.863) 13.683 9.389 ( 1.223 -3.119 7.365) 8.091 9.562 ( -0.322 -1.393 -7.130) 7.272 9.897 ( -2.122 -0.220 1.756) 2.763 9.952 ( 4.122 -1.170 -3.496) 5.530 10.230 ( -7.830 -3.297 5.954) 10.374 10.369 ( 7.462 -1.741 -6.751) 10.212 10.603 ( -3.649 2.346 3.629) 5.656 10.656 ( 1.479 3.679 -1.171) 4.135 11.228 ( 2.327 3.578 1.927) 4.682 11.288 ( -3.864 1.560 -3.442) 5.405 11.413 ( 5.076 0.154 1.357) 5.257 11.434 ( -1.037 1.213 -0.442) 1.656 11.519 ( -4.041 0.099 2.643) 4.829 11.573 ( 1.771 -2.242 -1.872) 3.415 12.381 ( -0.103 -3.757 1.314) 3.981 12.413 ( 0.360 -3.294 -1.415) 3.603 12.570 ( -0.353 17.605 2.164) 17.741 12.619 ( -0.107 18.185 -2.006) 18.296 13.042 ( 0.081 4.230 2.185) 4.761 13.097 ( 0.113 3.849 -2.492) 4.587 16.091 ( 0.168 -1.414 2.466) 2.848 16.146 ( -0.140 -0.481 -2.230) 2.286 18.115 ( 1.281 1.940 0.327) 2.348 18.124 ( -1.278 1.726 -0.360) 2.178 18.649 ( -2.032 3.047 2.957) 4.707 18.730 ( 2.526 1.195 -4.330) 5.153 18.984 ( -0.668 -6.051 5.278) 8.057 19.085 ( 0.417 -9.960 -3.566) 10.588 19.419 ( 0.374 8.987 3.456) 9.636 19.540 ( -1.808 10.134 -8.085) 13.089 20.086 ( 1.432 9.644 15.581) 18.380 20.409 ( 0.070 13.769 -13.374) 19.195 21.338 ( -2.748 -0.537 3.333) 4.353 21.393 ( 3.251 2.556 -0.572) 4.175 21.898 ( -0.884 -1.329 1.772) 2.385 21.977 ( 0.527 2.273 -4.354) 4.940 22.174 ( -2.127 2.513 5.754) 6.630 22.286 ( 1.709 4.320 -4.305) 6.334 22.818 ( 3.537 -9.687 1.559) 10.430 22.863 ( -1.503 -8.602 -2.137) 8.990 22.898 ( -4.445 -7.726 3.071) 9.428 22.953 ( 2.429 -8.773 -1.828) 9.284 ======================= Grid point 154 (69/86) ======================= q-point: (-0.30 -0.60 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -4.079 -2.285 0.167) 4.679 1.550 ( -0.211 0.659 -3.084) 3.161 1.695 ( -6.350 -3.197 0.813) 7.156 1.910 ( 4.593 -1.592 -1.981) 5.250 2.055 ( -3.810 -0.860 1.569) 4.209 2.189 ( 5.200 -5.128 -4.553) 8.606 2.346 ( -6.429 -6.623 4.195) 10.139 2.398 ( -8.697 8.497 5.498) 13.344 2.458 ( 1.189 0.093 1.699) 2.075 2.570 ( 5.013 2.307 -0.291) 5.526 2.795 ( 0.924 -5.086 2.290) 5.653 2.843 ( 0.952 2.034 -3.104) 3.831 2.995 ( -7.226 -1.668 0.022) 7.416 3.052 ( 2.936 3.691 -3.650) 5.963 3.091 ( 5.363 -0.920 -0.988) 5.530 3.131 ( 0.081 -3.637 -0.331) 3.653 3.345 ( 1.180 -2.125 0.413) 2.466 3.384 ( 3.548 2.698 -1.784) 4.801 3.462 ( -6.277 -2.292 3.028) 7.336 3.508 ( -4.616 3.643 -0.614) 5.912 3.561 ( 1.170 -7.164 0.650) 7.288 3.592 ( 0.826 9.445 -2.689) 9.855 3.701 ( 0.640 -1.806 1.242) 2.284 3.736 ( 7.936 0.143 -1.662) 8.110 3.901 ( -7.206 -0.051 4.181) 8.331 4.026 ( 3.278 1.259 -3.135) 4.707 4.102 ( -1.857 0.284 0.113) 1.882 4.178 ( 6.795 0.850 -1.254) 6.962 4.363 ( -3.874 -1.185 -1.468) 4.309 4.428 ( 7.174 -0.028 1.151) 7.266 4.585 ( -5.353 -2.337 5.418) 7.966 4.787 ( 3.127 -1.939 -4.637) 5.919 4.912 ( 0.801 -5.562 3.897) 6.838 4.995 ( 1.129 -1.519 -1.076) 2.177 5.073 ( -0.757 -3.127 1.840) 3.707 5.174 ( 4.967 -4.618 -4.866) 8.348 5.386 ( -1.698 -3.895 4.547) 6.223 5.467 ( 2.507 -5.803 -0.993) 6.399 5.556 ( -9.155 -2.052 -2.294) 9.658 5.608 ( 0.850 -0.802 2.010) 2.325 5.845 ( 0.009 -0.079 0.953) 0.956 5.909 ( 4.213 -1.952 -1.399) 4.850 6.197 ( -0.403 1.404 3.150) 3.472 6.273 ( 0.668 -2.021 -4.268) 4.769 6.621 ( -3.631 4.409 -0.627) 5.747 6.647 ( -0.171 3.613 0.454) 3.645 6.772 ( -3.453 12.287 4.211) 13.440 6.913 ( 5.564 10.458 -3.046) 12.231 6.945 ( -4.442 -1.040 -1.257) 4.732 7.024 ( 4.803 4.565 0.188) 6.629 7.443 ( -4.513 4.027 2.576) 6.574 7.592 ( -1.473 2.123 -0.449) 2.622 7.649 ( 5.702 3.321 1.606) 6.791 7.831 ( 6.312 1.400 -8.134) 10.391 8.310 ( -2.791 -2.219 7.467) 8.275 8.375 ( -2.989 7.879 -2.979) 8.938 8.545 ( 0.076 1.617 -0.085) 1.621 8.584 ( -1.528 1.484 0.162) 2.136 8.679 ( 3.075 -1.590 2.118) 4.058 8.697 ( -0.276 1.334 -0.350) 1.407 9.433 ( -3.519 0.096 4.409) 5.642 9.549 ( 1.450 1.327 -6.151) 6.458 9.893 ( -2.408 -0.601 1.517) 2.909 10.002 ( 2.544 -2.604 -2.917) 4.665 10.262 ( -5.082 -4.551 3.352) 7.601 10.444 ( 5.931 -0.656 -3.733) 7.038 10.553 ( -2.932 -0.271 1.229) 3.191 10.609 ( 2.270 2.102 0.715) 3.176 11.121 ( -1.614 7.472 2.725) 8.115 11.194 ( -1.243 5.464 -3.690) 6.710 11.378 ( -5.133 2.402 0.452) 5.685 11.442 ( -1.914 0.049 -0.301) 1.938 11.456 ( -1.618 4.045 2.221) 4.890 11.595 ( 4.766 2.401 -1.077) 5.444 12.204 ( -4.865 12.336 -0.043) 13.260 12.249 ( 0.310 14.080 -0.055) 14.083 12.508 ( -1.129 -5.417 1.632) 5.769 12.548 ( 0.062 -5.618 -1.359) 5.780 12.964 ( 1.421 5.346 2.169) 5.942 13.020 ( 2.761 4.071 -2.511) 5.523 16.128 ( 1.134 -1.433 0.589) 1.920 16.161 ( 3.658 0.484 -0.462) 3.719 18.061 ( -6.042 -0.865 -0.059) 6.104 18.153 ( 5.403 -0.863 0.088) 5.473 18.556 ( -7.084 1.722 1.598) 7.463 18.707 ( 5.702 3.853 -3.408) 7.679 19.025 ( -7.089 0.598 6.490) 9.630 19.254 ( 6.051 0.666 -5.563) 8.247 19.351 ( 0.010 -1.576 -0.316) 1.607 19.403 ( 3.029 -1.569 -1.519) 3.734 19.910 ( 0.473 11.525 11.258) 16.118 20.079 ( -1.372 16.063 -9.112) 18.518 21.272 ( -13.002 -0.852 0.949) 13.065 21.444 ( 6.773 -1.856 0.586) 7.047 21.908 ( -1.093 -0.187 -1.735) 2.059 21.956 ( 3.449 1.899 -1.221) 4.122 22.114 ( -3.240 1.499 4.180) 5.497 22.220 ( 1.954 3.607 -2.522) 4.816 22.959 ( 0.041 -4.684 1.544) 4.932 22.973 ( 0.059 -4.064 -2.135) 4.591 23.066 ( 0.332 -8.775 2.211) 9.055 23.145 ( 3.198 -8.434 -1.259) 9.107 ======================= Grid point 155 (70/86) ======================= q-point: (-0.20 -0.60 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.597 -6.809 -7.259) 9.970 1.515 ( 0.281 2.019 -4.162) 4.634 1.687 ( -6.249 2.058 3.035) 7.245 1.931 ( -0.764 0.774 4.487) 4.617 2.031 ( -7.836 -0.204 8.402) 11.491 2.139 ( -5.798 2.918 -0.910) 6.554 2.319 ( 1.799 5.380 1.247) 5.808 2.451 ( 0.949 -3.547 -2.520) 4.453 2.479 ( 4.800 -1.307 -2.052) 5.382 2.569 ( 7.362 -1.816 0.992) 7.647 2.787 ( -4.878 -1.816 -1.721) 5.482 2.913 ( -0.088 3.757 2.040) 4.276 2.956 ( -1.518 -5.330 -1.292) 5.691 3.019 ( 0.223 -0.182 -1.381) 1.411 3.111 ( 1.955 0.638 0.529) 2.123 3.215 ( 2.882 0.496 -2.679) 3.966 3.316 ( -2.289 9.863 0.061) 10.125 3.344 ( 6.789 2.788 1.831) 7.564 3.396 ( 0.213 -1.529 -0.695) 1.693 3.465 ( -2.049 -1.365 -1.794) 3.046 3.524 ( -2.888 -3.507 1.900) 4.924 3.702 ( 2.471 1.953 0.917) 3.280 3.723 ( -0.613 1.756 -1.145) 2.184 3.764 ( 0.489 -5.630 1.644) 5.885 3.923 ( -3.694 -5.579 -1.171) 6.793 4.052 ( 6.039 -0.784 -3.745) 7.149 4.097 ( 1.749 1.922 0.797) 2.719 4.266 ( 3.701 -7.243 -0.242) 8.137 4.377 ( -3.880 -1.426 2.630) 4.899 4.495 ( 3.004 -2.842 1.838) 4.525 4.615 ( 0.606 -1.543 2.206) 2.759 4.842 ( 2.509 -2.525 -5.509) 6.560 4.970 ( -1.798 -1.050 -0.610) 2.169 5.029 ( 3.858 -0.592 0.949) 4.017 5.173 ( 1.397 -5.600 2.826) 6.427 5.266 ( -1.718 -1.762 -0.846) 2.602 5.392 ( -7.021 -1.107 -2.380) 7.496 5.528 ( -4.080 -1.624 -0.218) 4.396 5.567 ( 4.383 -0.850 0.947) 4.564 5.608 ( -1.124 0.068 4.968) 5.094 5.812 ( -2.752 1.559 -1.728) 3.605 5.987 ( 5.352 -2.143 -0.897) 5.835 6.198 ( 0.880 1.221 1.499) 2.124 6.255 ( 4.722 4.579 -3.275) 7.348 6.427 ( -4.747 7.580 3.731) 9.690 6.528 ( -4.006 10.455 -0.689) 11.217 6.618 ( 2.058 2.339 -0.970) 3.264 6.782 ( 3.626 4.557 -1.093) 5.925 6.914 ( -2.305 0.813 -3.115) 3.960 6.996 ( 3.089 3.544 3.319) 5.755 7.376 ( -2.743 -0.267 0.718) 2.848 7.555 ( -2.936 0.194 2.806) 4.066 7.666 ( 10.007 1.377 -2.075) 10.312 7.838 ( 7.154 1.980 -5.261) 9.098 8.113 ( -5.023 11.405 -0.553) 12.474 8.323 ( 5.242 2.819 0.170) 5.955 8.491 ( -8.490 -1.785 2.812) 9.120 8.594 ( -5.096 -3.284 0.807) 6.116 8.717 ( -0.696 -2.821 0.228) 2.915 8.824 ( 2.957 -6.047 4.086) 7.875 9.357 ( -6.477 3.152 0.759) 7.243 9.501 ( 1.066 3.459 -6.019) 7.024 9.877 ( -3.563 -0.131 0.865) 3.669 10.092 ( 3.580 -3.943 -0.523) 5.351 10.330 ( -0.850 -3.481 0.777) 3.667 10.443 ( 1.380 1.506 -0.842) 2.210 10.593 ( 2.326 -2.105 2.001) 3.720 10.637 ( 3.123 -3.147 -1.047) 4.556 10.969 ( -2.074 6.539 2.679) 7.365 11.057 ( -0.282 6.385 -3.704) 7.387 11.205 ( -10.758 7.617 3.231) 13.571 11.314 ( -4.944 6.778 -1.850) 8.591 11.448 ( 0.609 -0.112 -0.867) 1.065 11.585 ( 5.006 1.861 0.755) 5.394 12.023 ( -2.852 4.348 0.337) 5.210 12.047 ( -1.861 6.183 -0.323) 6.465 12.589 ( -1.831 -3.427 -0.060) 3.886 12.663 ( 1.161 -5.284 0.307) 5.419 12.864 ( -0.789 4.943 0.334) 5.017 12.999 ( 5.287 1.074 -0.615) 5.430 16.166 ( 2.214 -1.099 -1.889) 3.111 16.176 ( 3.288 0.892 1.931) 3.916 18.058 ( -4.478 -2.814 -0.154) 5.291 18.238 ( 5.960 -3.170 0.604) 6.778 18.495 ( -4.920 -0.063 -0.354) 4.934 18.676 ( 4.402 2.779 -2.060) 5.598 18.932 ( -7.568 2.897 5.143) 9.598 19.180 ( 1.815 5.046 -4.321) 6.887 19.394 ( -3.266 -3.186 0.455) 4.586 19.485 ( -2.143 1.002 0.152) 2.371 19.749 ( 1.107 10.894 1.887) 11.111 19.851 ( 10.846 2.178 -1.439) 11.156 21.179 ( -15.166 -0.376 0.412) 15.176 21.540 ( 5.474 -2.166 0.624) 5.920 21.900 ( 1.755 1.184 -0.224) 2.129 21.927 ( 1.291 1.145 -2.596) 3.117 22.111 ( -0.670 -1.216 3.935) 4.173 22.154 ( -0.144 3.415 -2.343) 4.144 23.012 ( -0.169 -0.643 -1.073) 1.263 23.040 ( -0.009 -3.278 1.211) 3.494 23.207 ( 0.538 -5.016 1.200) 5.186 23.305 ( 2.786 -5.788 -1.058) 6.510 ======================= Grid point 156 (71/86) ======================= q-point: (-0.10 0.40 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -8.279 9.464 7.804) 14.799 1.528 ( -1.617 2.562 -1.453) 3.360 1.618 ( 3.831 -3.578 -11.300) 12.457 1.872 ( 5.913 7.380 0.021) 9.457 1.970 ( -2.073 2.028 7.500) 8.042 2.153 ( 0.217 0.647 4.369) 4.422 2.197 ( -0.563 0.398 -4.935) 4.983 2.479 ( 3.308 1.291 1.397) 3.816 2.529 ( 2.624 0.805 -3.460) 4.417 2.674 ( 5.443 -1.017 0.091) 5.538 2.808 ( -4.313 -2.808 0.781) 5.206 2.887 ( 0.659 2.335 -1.136) 2.679 2.948 ( 2.008 3.200 0.872) 3.877 3.057 ( -1.745 4.896 -1.686) 5.464 3.085 ( -2.733 -1.760 1.453) 3.560 3.111 ( 2.324 -2.340 -1.238) 3.523 3.271 ( -0.082 -1.194 3.387) 3.593 3.402 ( 4.855 0.515 -2.517) 5.493 3.413 ( -0.162 -2.294 2.897) 3.699 3.470 ( 1.787 3.334 -2.595) 4.587 3.556 ( -1.282 0.713 -1.354) 1.996 3.619 ( -3.197 -2.862 -0.842) 4.373 3.704 ( -1.810 -0.659 2.592) 3.230 3.920 ( 3.301 -2.672 -0.811) 4.324 3.967 ( -0.460 -1.904 1.801) 2.661 4.040 ( 0.152 2.550 0.516) 2.606 4.104 ( 2.374 -0.035 -5.136) 5.658 4.352 ( -4.381 -0.073 1.342) 4.583 4.470 ( 2.844 -8.615 0.490) 9.086 4.589 ( 1.070 -3.552 3.666) 5.215 4.645 ( 1.933 -0.051 0.364) 1.967 4.884 ( 1.404 -1.104 -5.591) 5.869 4.964 ( -2.390 -1.217 -1.658) 3.153 5.078 ( 4.155 -0.444 1.793) 4.547 5.101 ( -9.722 5.967 2.474) 11.672 5.345 ( -6.613 -4.073 -1.796) 7.972 5.407 ( 3.008 -5.211 0.573) 6.044 5.518 ( 1.240 1.332 -0.047) 1.820 5.539 ( -3.346 4.195 4.099) 6.753 5.643 ( 4.673 -0.653 0.297) 4.728 5.770 ( -3.634 -0.908 -2.014) 4.253 6.064 ( 2.738 -1.382 0.174) 3.072 6.124 ( 6.336 2.468 -0.208) 6.803 6.228 ( 1.668 8.674 0.874) 8.876 6.301 ( 0.192 2.840 -1.544) 3.238 6.361 ( 3.419 2.293 -0.340) 4.131 6.595 ( -1.341 -0.612 0.307) 1.506 6.775 ( -0.446 -0.233 -1.137) 1.244 6.880 ( 2.522 2.363 1.421) 3.736 6.962 ( 4.546 1.814 -0.361) 4.908 7.404 ( -0.683 -3.040 0.794) 3.215 7.550 ( -1.504 -1.045 1.049) 2.110 7.733 ( 8.667 -0.575 -3.948) 9.541 7.833 ( 0.876 1.913 -2.236) 3.070 7.920 ( -2.048 3.742 3.780) 5.699 8.323 ( 8.569 2.253 -7.089) 11.347 8.485 ( -12.403 -4.968 5.854) 14.587 8.609 ( -6.110 -2.784 0.242) 6.719 8.759 ( -1.769 -1.959 0.304) 2.657 8.939 ( -0.481 -2.919 8.611) 9.105 9.248 ( -5.507 2.366 -1.085) 6.091 9.424 ( 2.117 3.318 -8.255) 9.145 9.855 ( -2.908 -0.126 0.928) 3.055 10.160 ( 2.830 0.851 0.420) 2.985 10.356 ( 1.869 0.461 0.649) 2.031 10.442 ( 2.705 0.664 -0.611) 2.851 10.688 ( 2.913 -4.939 1.281) 5.876 10.728 ( 2.149 -2.721 -0.543) 3.509 10.858 ( -0.861 3.367 1.367) 3.735 10.981 ( 1.284 0.706 -2.717) 3.087 11.013 ( -9.573 3.258 0.955) 10.157 11.136 ( -4.214 5.729 0.519) 7.131 11.461 ( -0.532 -1.430 -0.728) 1.690 11.610 ( 3.045 -0.800 0.576) 3.200 11.934 ( -1.320 2.814 -0.041) 3.109 11.974 ( -0.163 1.843 -0.013) 1.850 12.604 ( -0.233 0.820 0.160) 0.867 12.702 ( 2.888 4.415 -0.360) 5.288 12.838 ( -4.250 -5.925 0.045) 7.292 13.050 ( 2.947 -2.614 0.161) 3.943 16.177 ( 1.940 0.877 1.636) 2.685 16.214 ( 2.153 -1.990 -1.671) 3.374 18.071 ( -3.640 -1.218 -0.262) 3.847 18.344 ( 2.914 -1.339 2.852) 4.291 18.489 ( 1.074 -3.463 -4.076) 5.455 18.625 ( 0.408 5.443 -1.024) 5.553 18.850 ( -5.031 1.422 5.053) 7.271 19.133 ( 2.118 -1.424 -4.171) 4.890 19.342 ( -4.496 3.820 2.774) 6.519 19.452 ( -4.970 -1.907 -1.523) 5.537 19.624 ( 3.331 2.607 0.405) 4.250 20.006 ( 13.378 -3.825 0.072) 13.914 21.033 ( -13.182 3.631 -0.028) 13.673 21.589 ( 4.876 1.981 0.542) 5.291 21.892 ( -0.172 -1.093 0.207) 1.126 21.962 ( 1.793 -2.811 -0.615) 3.390 22.070 ( -1.622 3.532 -0.889) 3.987 22.153 ( 1.082 -1.767 0.191) 2.081 22.995 ( -0.204 2.104 1.147) 2.405 23.087 ( 0.303 -1.354 -0.835) 1.620 23.278 ( -1.148 -2.478 1.283) 3.017 23.399 ( 0.436 -2.732 -1.082) 2.970 ======================= Grid point 162 (72/86) ======================= q-point: (-0.50 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 2.541 -0.000 -0.039) 2.541 1.471 ( 1.937 -0.000 -3.676) 4.155 1.827 ( 3.352 -0.000 8.452) 9.093 1.889 ( -13.465 0.000 1.840) 13.590 2.014 ( -3.742 0.000 1.963) 4.226 2.057 ( 0.842 -0.000 -1.364) 1.603 2.208 ( 7.931 -0.000 -2.071) 8.197 2.295 ( 6.653 -0.000 -9.590) 11.672 2.383 ( -3.580 0.000 1.317) 3.814 2.403 ( 1.867 -0.000 -0.846) 2.050 2.786 ( -15.267 0.000 3.934) 15.766 2.901 ( 8.325 -0.000 0.281) 8.330 2.908 ( 8.103 -0.000 -5.138) 9.595 2.934 ( -1.807 0.000 -1.213) 2.176 3.011 ( -1.376 0.000 6.104) 6.258 3.134 ( 0.514 -0.000 -4.763) 4.790 3.256 ( -8.897 0.000 9.394) 12.938 3.429 ( 6.772 -0.000 -5.021) 8.430 3.476 ( -7.797 0.000 -0.446) 7.810 3.531 ( 11.572 -0.000 -5.856) 12.969 3.667 ( -2.649 0.000 5.594) 6.190 3.747 ( 0.377 -0.000 -0.953) 1.025 3.894 ( 11.141 -0.000 0.379) 11.147 3.935 ( -10.788 0.000 -2.403) 11.053 4.040 ( 1.481 -0.000 3.327) 3.642 4.084 ( -5.959 0.000 0.551) 5.984 4.218 ( -6.754 0.000 4.628) 8.188 4.240 ( 4.566 -0.000 2.646) 5.277 4.424 ( 8.213 -0.000 2.278) 8.523 4.470 ( -2.330 0.000 -4.181) 4.786 4.508 ( -0.831 0.000 -0.802) 1.155 4.592 ( 0.292 -0.000 -7.365) 7.371 4.781 ( -2.098 0.000 1.518) 2.590 4.838 ( 1.944 -0.000 -3.729) 4.205 5.020 ( -1.527 0.000 0.745) 1.698 5.037 ( -0.316 0.000 -0.966) 1.017 5.077 ( -3.079 0.000 7.191) 7.823 5.245 ( 6.844 -0.000 -7.190) 9.926 5.317 ( -2.523 0.000 10.966) 11.253 5.537 ( -1.177 0.000 -8.569) 8.650 5.798 ( -1.345 0.000 3.763) 3.996 5.856 ( 3.184 -0.000 -1.772) 3.644 6.086 ( -5.577 0.000 4.517) 7.177 6.186 ( 5.224 -0.000 -4.142) 6.667 6.729 ( 5.195 -0.000 -0.605) 5.230 6.744 ( -3.301 0.000 -1.913) 3.815 6.940 ( -4.143 0.000 3.504) 5.426 6.982 ( 0.286 -0.000 -0.217) 0.359 7.263 ( -0.655 0.000 -1.453) 1.594 7.303 ( 4.129 -0.000 -4.967) 6.459 7.576 ( 5.054 -0.000 7.933) 9.406 7.753 ( -6.893 0.000 -5.842) 9.035 7.818 ( -2.413 0.000 3.892) 4.579 7.858 ( 1.202 -0.000 -0.949) 1.531 8.296 ( -5.215 0.000 1.424) 5.406 8.357 ( 4.330 -0.000 -3.320) 5.456 8.409 ( 2.223 -0.000 4.679) 5.180 8.498 ( 0.126 -0.000 -3.328) 3.330 9.229 ( -1.529 0.000 0.699) 1.681 9.239 ( 1.432 -0.000 0.058) 1.434 9.294 ( 0.330 -0.000 8.016) 8.023 9.479 ( -0.088 0.000 -7.429) 7.429 9.889 ( -1.481 0.000 0.434) 1.543 9.917 ( 3.293 -0.000 -2.528) 4.152 10.159 ( -7.621 0.000 7.445) 10.654 10.337 ( 7.817 -0.000 -8.970) 11.898 10.676 ( -3.201 0.000 5.089) 6.012 10.742 ( 0.650 -0.000 -1.263) 1.420 11.282 ( 5.424 -0.000 1.036) 5.522 11.311 ( -4.775 0.000 -1.524) 5.012 11.361 ( -5.544 0.000 0.433) 5.561 11.372 ( 5.258 -0.000 -0.492) 5.281 11.522 ( 0.220 -0.000 1.733) 1.747 11.560 ( -0.143 0.000 -1.546) 1.553 12.279 ( -0.401 0.000 1.230) 1.294 12.308 ( 0.507 -0.000 -1.237) 1.337 13.052 ( -3.823 0.000 2.272) 4.448 13.099 ( 6.600 -0.000 -1.138) 6.698 13.145 ( -3.275 0.000 -0.142) 3.278 13.164 ( 0.521 -0.000 -1.155) 1.267 16.061 ( 1.702 -0.000 2.862) 3.329 16.123 ( -1.800 0.000 -2.416) 3.013 18.204 ( -0.365 0.000 0.385) 0.530 18.212 ( 0.409 -0.000 -0.368) 0.550 18.669 ( -1.646 0.000 0.323) 1.677 18.676 ( 1.606 -0.000 -0.241) 1.624 18.840 ( -0.495 0.000 0.346) 0.604 18.850 ( 0.412 -0.000 -0.513) 0.658 19.771 ( 1.085 -0.000 1.462) 1.821 19.823 ( -2.051 0.000 -3.594) 4.138 20.259 ( 1.154 -0.000 15.908) 15.950 20.664 ( -0.647 0.000 -20.727) 20.737 21.310 ( -3.759 0.000 8.125) 8.952 21.508 ( 10.255 -0.000 -7.266) 12.569 21.921 ( -3.011 0.000 12.864) 13.212 22.196 ( -5.209 0.000 8.762) 10.193 22.207 ( -3.054 0.000 -10.867) 11.288 22.355 ( 6.774 -0.000 -5.812) 8.925 22.492 ( -2.995 0.000 0.796) 3.099 22.496 ( 1.891 -0.000 0.172) 1.899 22.742 ( -0.034 0.000 1.163) 1.164 22.762 ( -0.008 0.000 -0.641) 0.641 ======================= Grid point 163 (73/86) ======================= q-point: (-0.40 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( -6.891 1.113 4.422) 8.263 1.543 ( -5.048 0.876 0.640) 5.164 1.691 ( -0.462 -0.993 -1.921) 2.211 1.824 ( -13.821 1.205 -1.501) 13.955 2.058 ( 7.181 -0.326 -0.818) 7.235 2.087 ( 1.386 -1.365 -2.669) 3.303 2.195 ( -1.113 0.373 1.518) 1.919 2.398 ( -2.173 -3.131 2.521) 4.569 2.435 ( 5.004 -6.721 -3.434) 9.056 2.470 ( 8.061 -2.146 -3.137) 8.912 2.696 ( -10.881 -1.543 3.016) 11.396 2.883 ( -7.246 -1.555 2.057) 7.691 2.902 ( -7.354 -0.152 0.197) 7.358 3.006 ( -0.731 -0.312 4.895) 4.959 3.054 ( 13.128 -0.947 -4.563) 13.930 3.121 ( -1.041 -0.517 -3.125) 3.334 3.230 ( -4.178 -2.485 8.142) 9.483 3.416 ( -2.144 1.222 -4.113) 4.797 3.440 ( 3.855 2.584 -5.300) 7.045 3.545 ( 5.954 4.350 -2.949) 7.942 3.637 ( -0.143 2.127 4.870) 5.316 3.729 ( -3.109 2.365 -1.420) 4.156 3.801 ( -7.377 3.154 1.232) 8.117 3.941 ( -1.229 1.447 1.702) 2.550 3.980 ( 1.816 4.129 -0.207) 4.515 4.080 ( 4.164 -0.003 -1.674) 4.488 4.146 ( -8.173 0.730 5.440) 9.845 4.269 ( 2.952 3.799 -2.088) 5.245 4.438 ( 5.808 0.594 1.637) 6.064 4.485 ( 3.826 3.281 -4.999) 7.099 4.504 ( -2.372 -0.708 3.430) 4.229 4.646 ( 5.294 -4.726 -3.030) 7.716 4.778 ( 3.079 -0.235 4.606) 5.546 4.886 ( 2.647 -1.969 -5.980) 6.830 5.024 ( 1.900 -0.424 0.414) 1.990 5.083 ( 4.907 -4.375 -0.733) 6.615 5.157 ( -2.163 -6.117 1.836) 6.743 5.207 ( 1.606 0.205 3.630) 3.975 5.423 ( -3.127 -5.408 2.613) 6.772 5.528 ( 1.132 -1.531 -5.884) 6.185 5.805 ( 0.257 -0.574 2.235) 2.322 5.877 ( 2.584 -0.299 -1.154) 2.846 6.092 ( -4.386 -3.771 2.396) 6.261 6.224 ( 1.563 -1.313 -2.834) 3.493 6.695 ( -4.113 1.041 -2.070) 4.721 6.748 ( 2.465 1.528 -0.400) 2.928 6.910 ( -5.066 -0.165 3.075) 5.928 6.977 ( -2.131 0.004 1.297) 2.495 7.221 ( 0.315 4.212 -2.002) 4.674 7.297 ( 4.725 3.629 -4.271) 7.330 7.632 ( 6.341 1.615 8.547) 10.765 7.693 ( -4.764 1.560 -6.688) 8.358 7.738 ( -4.517 3.450 2.606) 6.253 7.871 ( 6.101 0.867 -1.483) 6.338 8.253 ( -3.573 1.434 2.775) 4.746 8.339 ( 1.492 0.659 -0.194) 1.643 8.474 ( -1.245 -2.335 -0.650) 2.725 8.528 ( 3.695 -2.739 -1.254) 4.768 9.100 ( 0.263 11.191 1.289) 11.268 9.133 ( 1.735 11.148 -1.084) 11.334 9.344 ( -1.425 -2.828 8.616) 9.179 9.503 ( 1.371 -2.649 -8.573) 9.077 9.883 ( -1.274 -0.161 0.306) 1.320 9.952 ( 3.053 -1.081 -2.743) 4.245 10.129 ( -8.257 -1.959 6.700) 10.812 10.382 ( 6.427 -0.965 -7.877) 10.212 10.634 ( -3.761 2.510 5.420) 7.058 10.722 ( 0.576 2.141 -0.951) 2.412 11.228 ( -8.323 0.465 -1.199) 8.422 11.317 ( 5.927 1.280 1.626) 6.277 11.368 ( -6.736 -3.704 -1.246) 7.787 11.448 ( 2.129 -2.465 0.793) 3.352 11.503 ( -1.967 2.484 -0.173) 3.173 11.560 ( 2.937 -1.116 -0.157) 3.146 12.312 ( 0.435 -2.803 0.883) 2.971 12.344 ( 1.540 -3.126 -0.996) 3.624 12.869 ( -7.877 13.838 0.914) 15.949 12.962 ( 0.217 15.416 -0.305) 15.420 13.111 ( 0.319 1.496 0.350) 1.569 13.169 ( 4.117 2.448 -1.072) 4.909 16.092 ( 3.279 0.018 2.310) 4.011 16.144 ( 5.022 -1.432 -1.931) 5.568 18.137 ( -5.359 4.048 -0.026) 6.716 18.185 ( 0.448 1.646 -0.010) 1.705 18.601 ( -12.100 0.708 0.351) 12.126 18.800 ( 11.872 -3.240 -0.376) 12.312 18.882 ( 1.722 -3.000 2.032) 4.011 18.911 ( 1.015 -7.652 -2.033) 7.983 19.654 ( 1.732 11.260 3.428) 11.897 19.715 ( 0.265 9.225 -4.987) 10.490 20.264 ( -0.502 4.279 16.003) 16.573 20.552 ( -2.569 5.796 -18.380) 19.443 21.296 ( -7.656 -0.455 4.740) 9.016 21.500 ( 4.432 5.071 -5.294) 8.566 21.870 ( -5.995 2.005 7.666) 9.936 22.060 ( 1.579 5.385 -4.334) 7.090 22.199 ( -2.937 0.686 5.016) 5.853 22.381 ( 4.820 3.666 -5.045) 7.882 22.597 ( -0.169 -13.585 2.422) 13.800 22.660 ( 1.549 -10.339 -1.105) 10.512 22.785 ( 0.082 -3.499 0.542) 3.542 22.829 ( 2.731 -6.020 -0.482) 6.627 ======================= Grid point 164 (74/86) ======================= q-point: (-0.30 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( -10.961 0.533 5.708) 12.369 1.430 ( -11.142 -2.539 4.027) 12.117 1.670 ( -10.374 2.107 -5.457) 11.910 1.852 ( 3.465 -8.342 -6.233) 10.975 2.058 ( 3.466 3.928 -2.287) 5.716 2.115 ( -0.817 -2.783 -5.128) 5.891 2.224 ( -2.188 -3.490 4.076) 5.795 2.443 ( -2.158 -0.237 1.042) 2.408 2.468 ( -4.607 0.166 7.755) 9.022 2.607 ( 6.754 -3.241 -3.980) 8.483 2.693 ( -5.754 -2.850 5.009) 8.144 2.859 ( -0.826 -2.784 -2.302) 3.706 2.892 ( -4.943 -2.731 0.847) 5.711 3.033 ( -1.047 -2.580 3.674) 4.610 3.107 ( -3.841 -0.219 -2.463) 4.568 3.130 ( 3.581 -0.954 -2.472) 4.455 3.308 ( 0.246 -0.198 0.878) 0.933 3.352 ( -1.945 -1.955 -0.905) 2.902 3.433 ( 0.338 -1.300 -3.887) 4.113 3.485 ( 2.666 2.854 -1.846) 4.320 3.623 ( -1.223 3.376 4.221) 5.542 3.661 ( -1.577 1.662 1.492) 2.734 3.676 ( 1.614 3.764 -2.315) 4.704 3.876 ( -5.295 2.195 1.992) 6.068 3.943 ( 7.776 4.058 -0.325) 8.778 4.012 ( -1.316 3.912 -1.419) 4.364 4.192 ( 6.182 5.487 -1.493) 8.400 4.214 ( -1.990 -5.435 1.135) 5.898 4.361 ( 2.528 5.325 -0.624) 5.928 4.462 ( -1.430 1.689 2.903) 3.650 4.558 ( 5.995 -2.338 0.303) 6.442 4.775 ( 4.230 -2.713 -4.082) 6.474 4.851 ( 6.038 -2.317 5.258) 8.335 4.949 ( 2.951 -3.741 -4.133) 6.307 5.056 ( 2.176 -0.492 2.450) 3.314 5.144 ( 4.753 -0.840 -2.965) 5.665 5.289 ( -0.413 -7.001 4.144) 8.146 5.343 ( 1.320 -6.931 -0.852) 7.107 5.437 ( -6.000 -3.487 -0.401) 6.951 5.582 ( 0.001 -1.901 0.630) 2.003 5.841 ( 2.256 -1.616 -0.177) 2.781 5.910 ( 3.254 -0.926 -0.441) 3.412 6.151 ( -3.935 -4.856 -0.291) 6.257 6.233 ( -0.812 -0.131 -0.602) 1.019 6.634 ( -4.753 1.311 -2.881) 5.711 6.709 ( -0.608 2.927 2.152) 3.684 6.886 ( -4.037 -0.517 -0.508) 4.101 6.934 ( -4.769 3.721 5.078) 7.898 7.107 ( 3.336 7.415 -2.993) 8.664 7.205 ( 5.149 9.058 -2.974) 10.835 7.520 ( -5.165 6.723 0.427) 8.489 7.647 ( 2.183 3.260 3.867) 5.509 7.728 ( 3.168 -0.287 -1.880) 3.695 7.898 ( 8.152 1.877 -4.307) 9.409 8.226 ( -3.891 -1.642 4.892) 6.463 8.375 ( -0.784 -2.836 -1.694) 3.395 8.488 ( -3.892 -1.986 0.154) 4.372 8.618 ( 4.655 -2.920 0.512) 5.518 8.853 ( 1.507 14.549 2.687) 14.871 8.889 ( 2.093 13.908 -2.286) 14.250 9.389 ( -5.744 -1.919 7.453) 9.604 9.538 ( 1.892 -1.368 -9.339) 9.627 9.885 ( 0.595 -0.386 0.574) 0.912 9.961 ( -2.657 -0.531 -1.096) 2.922 10.154 ( -2.878 -4.209 3.534) 6.204 10.445 ( 5.324 -2.302 -5.773) 8.184 10.562 ( -3.455 2.750 4.218) 6.106 10.675 ( 1.086 2.830 0.443) 3.064 11.166 ( -6.982 0.137 -1.039) 7.060 11.290 ( 0.228 5.699 1.514) 5.901 11.352 ( -5.331 -0.429 -2.983) 6.124 11.426 ( -4.999 1.444 2.533) 5.787 11.501 ( 2.113 -0.626 -0.402) 2.240 11.627 ( 3.797 -1.679 0.068) 4.152 12.379 ( -0.553 -2.029 -0.444) 2.150 12.433 ( 2.017 -2.202 -0.348) 3.006 12.475 ( -9.307 13.817 1.243) 16.705 12.588 ( -5.059 18.995 -0.148) 19.657 13.089 ( 4.349 3.512 1.592) 5.813 13.122 ( 3.898 4.834 -2.102) 6.556 16.127 ( 3.945 -0.448 0.290) 3.981 16.214 ( 8.066 0.169 -0.086) 8.068 18.017 ( -7.123 1.962 -0.080) 7.389 18.179 ( 1.954 -0.200 0.056) 1.965 18.493 ( -12.686 -0.202 0.606) 12.703 18.835 ( 7.004 4.263 -1.718) 8.377 18.950 ( -2.314 -2.506 1.730) 3.825 19.197 ( 11.220 -12.572 -0.961) 16.878 19.462 ( 2.759 9.572 2.848) 10.361 19.511 ( 1.637 10.315 -3.000) 10.866 20.143 ( -2.871 10.055 13.319) 16.934 20.308 ( -4.324 12.249 -14.689) 19.609 21.181 ( -14.635 2.655 1.203) 14.922 21.454 ( 1.030 -0.160 0.774) 1.298 21.857 ( -2.952 -2.759 -0.639) 4.091 22.014 ( 3.429 1.416 -0.514) 3.745 22.143 ( -2.695 3.545 2.250) 4.989 22.320 ( 3.175 4.594 -1.557) 5.798 22.829 ( -1.861 -7.638 -0.045) 7.861 22.871 ( 0.468 -7.262 -0.367) 7.287 22.910 ( 7.008 -10.433 1.142) 12.620 23.005 ( 4.500 -8.687 -0.322) 9.789 ======================= Grid point 165 (75/86) ======================= q-point: (-0.20 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( -7.405 -5.280 -5.007) 10.382 1.463 ( -9.335 -5.898 3.765) 11.666 1.596 ( -5.875 -3.848 -3.033) 7.650 1.942 ( -4.934 5.420 2.936) 7.896 1.983 ( -1.828 -3.932 0.420) 4.357 2.129 ( -8.349 -0.701 -0.900) 8.427 2.314 ( -0.296 -3.524 4.231) 5.514 2.374 ( 1.792 -0.898 -1.754) 2.663 2.520 ( 6.595 -1.879 -2.092) 7.170 2.632 ( 0.124 2.778 3.542) 4.504 2.713 ( -7.436 -3.929 1.849) 8.611 2.881 ( -3.845 0.106 -1.458) 4.113 2.949 ( 7.649 -1.343 -3.090) 8.358 3.031 ( -5.368 1.380 -1.743) 5.810 3.134 ( 0.246 -4.254 2.166) 4.780 3.153 ( 2.992 -1.805 -2.359) 4.216 3.314 ( -3.432 -3.088 1.294) 4.795 3.335 ( -9.608 -1.771 2.550) 10.097 3.435 ( 0.208 3.741 -3.420) 5.073 3.515 ( 5.858 2.305 -1.144) 6.398 3.578 ( 4.137 1.254 -0.171) 4.327 3.616 ( 1.565 -0.639 0.426) 1.743 3.700 ( 0.803 -3.258 -0.613) 3.411 3.784 ( -6.692 2.310 1.758) 7.294 3.908 ( 9.499 3.849 -0.636) 10.269 4.044 ( 0.220 -4.282 -0.862) 4.373 4.119 ( 2.082 1.796 1.323) 3.052 4.296 ( 7.580 3.554 -1.575) 8.519 4.311 ( -2.829 -1.328 3.782) 4.906 4.465 ( 2.762 -1.452 0.079) 3.122 4.647 ( 6.986 -1.231 0.132) 7.095 4.817 ( 2.645 -0.959 -4.366) 5.194 4.936 ( 0.620 -1.556 2.655) 3.139 5.043 ( 5.596 -3.511 -2.813) 7.180 5.093 ( 2.430 -1.771 3.070) 4.297 5.218 ( 2.068 -3.187 -3.179) 4.954 5.316 ( -9.562 0.316 0.565) 9.584 5.435 ( -0.902 -5.489 2.132) 5.957 5.552 ( 4.426 -4.564 0.467) 6.375 5.590 ( -2.991 -0.783 2.503) 3.978 5.845 ( 0.284 2.494 -0.883) 2.661 5.976 ( 4.257 -2.528 -1.278) 5.113 6.184 ( -3.072 -1.932 1.688) 4.003 6.259 ( -0.909 -3.439 -2.579) 4.394 6.531 ( -6.439 5.145 -1.210) 8.330 6.646 ( -1.262 5.751 3.670) 6.938 6.741 ( -2.870 8.794 2.089) 9.484 6.859 ( -4.892 0.293 -2.433) 5.472 6.992 ( 5.462 9.041 -4.181) 11.360 7.080 ( 0.621 3.981 1.822) 4.422 7.403 ( 0.334 3.207 -0.075) 3.226 7.592 ( 0.772 3.678 2.773) 4.670 7.756 ( 6.308 0.919 -2.149) 6.727 7.912 ( 6.504 1.783 -4.408) 8.057 8.260 ( -6.724 -1.709 4.359) 8.194 8.301 ( -4.757 6.743 -3.295) 8.885 8.507 ( -3.679 -2.576 2.543) 5.161 8.614 ( 4.058 11.264 0.135) 11.974 8.700 ( 1.684 2.360 -0.251) 2.910 8.759 ( 5.393 -3.588 2.872) 7.086 9.347 ( -8.983 1.219 4.839) 10.276 9.528 ( -0.241 1.218 -8.607) 8.696 9.873 ( -1.549 1.313 0.295) 2.052 10.002 ( -0.535 -5.558 0.376) 5.597 10.244 ( 1.198 -4.916 0.703) 5.108 10.484 ( -0.218 2.066 0.204) 2.087 10.546 ( 2.582 -3.663 -1.383) 4.690 10.655 ( 2.608 0.911 2.028) 3.427 11.068 ( -4.687 5.189 -1.017) 7.066 11.160 ( -2.544 5.374 -0.555) 5.971 11.264 ( -9.372 5.086 2.980) 11.072 11.350 ( -4.345 3.131 -1.187) 5.485 11.492 ( 1.732 2.794 -0.960) 3.425 11.661 ( 3.349 1.228 0.449) 3.595 12.102 ( -7.438 9.138 -0.026) 11.782 12.207 ( -5.634 13.602 0.019) 14.722 12.487 ( -0.849 -5.087 -0.112) 5.159 12.552 ( 0.115 -5.674 0.329) 5.684 13.008 ( 3.453 7.554 0.067) 8.306 13.087 ( 5.636 2.961 -0.378) 6.378 16.168 ( 3.882 -0.487 -1.094) 4.063 16.247 ( 5.570 2.287 1.148) 6.130 17.973 ( -4.297 -2.178 -0.170) 4.820 18.227 ( 3.605 -2.507 0.267) 4.400 18.426 ( -9.099 -1.903 0.306) 9.301 18.787 ( 5.939 5.145 -1.917) 8.088 18.922 ( -5.949 1.963 1.720) 6.496 19.324 ( 1.656 7.731 -1.018) 7.972 19.365 ( 2.547 1.997 0.877) 3.353 19.481 ( 4.830 -2.751 0.973) 5.643 19.966 ( 1.192 8.167 8.363) 11.750 20.001 ( -1.592 10.753 -10.228) 14.925 21.035 ( -16.573 -0.720 0.732) 16.604 21.506 ( 0.723 -3.620 0.980) 3.820 21.890 ( 0.024 -2.067 -2.469) 3.220 22.014 ( 3.948 4.284 -0.798) 5.880 22.076 ( -3.266 -1.109 3.353) 4.810 22.242 ( 1.741 5.272 -1.315) 5.705 22.937 ( -2.681 -5.598 2.814) 6.815 22.979 ( 1.564 -3.753 -2.884) 4.985 23.130 ( 5.772 -6.004 0.398) 8.339 23.209 ( 5.231 -7.495 -0.020) 9.140 ======================= Grid point 166 (76/86) ======================= q-point: (-0.10 -0.50 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -3.512 -9.247 -9.395) 13.643 1.474 ( -4.447 0.280 2.626) 5.172 1.638 ( -0.730 1.438 -2.204) 2.731 1.837 ( -12.230 -4.913 9.959) 16.519 2.026 ( 0.977 0.170 3.424) 3.565 2.061 ( -2.806 -1.259 -3.024) 4.313 2.308 ( -4.208 2.591 0.928) 5.027 2.492 ( 5.205 -3.222 -2.756) 6.714 2.530 ( 1.925 2.090 1.001) 3.013 2.681 ( 5.345 -4.743 -1.207) 7.247 2.731 ( -1.052 -1.178 -0.063) 1.580 2.849 ( -6.477 -4.595 -0.642) 7.967 2.946 ( -0.519 3.018 -2.941) 4.246 3.036 ( 2.760 -1.857 1.715) 3.743 3.139 ( -0.392 3.066 0.382) 3.115 3.224 ( -0.679 0.534 0.816) 1.188 3.261 ( -2.078 6.969 -0.226) 7.275 3.346 ( -6.500 -4.496 2.196) 8.203 3.406 ( 1.630 -5.637 -1.154) 5.981 3.477 ( -1.859 0.976 2.526) 3.284 3.565 ( 10.317 2.405 -4.389) 11.467 3.650 ( -3.555 5.105 -1.130) 6.322 3.724 ( 0.257 -0.666 2.072) 2.191 3.817 ( 1.060 -7.181 1.330) 7.380 3.948 ( 6.102 -0.732 -2.152) 6.512 4.068 ( -3.267 -0.243 -0.492) 3.312 4.155 ( 5.057 1.941 -2.511) 5.970 4.301 ( -1.286 -1.929 6.077) 6.504 4.349 ( 3.173 -4.332 -1.575) 5.596 4.544 ( 4.817 -3.038 1.100) 5.801 4.700 ( 4.666 0.903 -0.384) 4.768 4.848 ( 1.575 -1.521 -4.431) 4.942 4.941 ( -1.138 0.583 1.346) 1.857 5.120 ( 0.807 1.832 2.044) 2.861 5.168 ( -2.053 2.082 -2.388) 3.775 5.207 ( -0.571 -3.322 0.023) 3.370 5.290 ( -1.778 -5.968 0.174) 6.230 5.512 ( 0.233 -2.179 0.581) 2.267 5.579 ( -2.981 -0.255 4.568) 5.461 5.658 ( 4.296 -1.531 0.313) 4.571 5.776 ( -0.832 3.241 -1.863) 3.830 6.050 ( 2.957 -2.198 -0.403) 3.706 6.191 ( -2.863 0.610 0.730) 3.017 6.297 ( -0.702 -1.162 -3.926) 4.154 6.343 ( -5.550 4.869 2.415) 7.768 6.464 ( -3.562 7.816 1.636) 8.744 6.661 ( 3.078 5.287 -1.882) 6.401 6.778 ( -2.467 2.287 -1.658) 3.750 6.904 ( 0.657 0.887 -0.654) 1.282 7.035 ( 0.090 2.383 2.015) 3.123 7.393 ( 4.609 0.462 -0.711) 4.687 7.547 ( -0.165 1.816 2.595) 3.172 7.782 ( 3.387 0.409 -1.296) 3.649 7.898 ( 1.945 3.252 -3.658) 5.267 8.028 ( -2.844 8.760 -2.844) 9.639 8.308 ( -10.427 -4.043 5.982) 12.683 8.461 ( 6.236 6.392 -1.482) 9.052 8.541 ( 0.431 -1.219 -1.029) 1.653 8.717 ( 0.397 -1.485 0.618) 1.657 8.897 ( 3.287 -4.119 6.656) 8.490 9.249 ( -7.156 2.314 2.468) 7.915 9.460 ( -1.161 2.368 -8.745) 9.134 9.845 ( -0.840 0.332 -0.078) 0.907 10.120 ( 0.046 -5.511 0.458) 5.531 10.340 ( 0.652 -3.174 0.441) 3.271 10.462 ( 1.737 -0.148 -0.700) 1.878 10.652 ( 3.674 -3.610 1.418) 5.343 10.686 ( 3.251 -1.694 0.378) 3.685 10.937 ( -1.670 4.206 -1.181) 4.677 11.033 ( -11.545 8.546 4.222) 14.971 11.050 ( 0.420 4.833 -1.768) 5.163 11.214 ( -6.142 5.979 -1.615) 8.722 11.458 ( 1.138 1.274 -0.817) 1.894 11.647 ( 2.275 2.059 0.845) 3.183 11.972 ( -3.677 2.639 0.551) 4.559 12.001 ( -3.203 3.383 -0.582) 4.695 12.568 ( -0.683 -3.677 -0.155) 3.743 12.659 ( -1.662 -5.985 0.223) 6.216 12.882 ( 2.939 7.775 -0.453) 8.324 13.079 ( 4.330 2.055 0.381) 4.808 16.201 ( 2.690 -0.653 -1.685) 3.241 16.230 ( 1.747 2.538 1.645) 3.493 18.010 ( -1.072 -3.033 -0.280) 3.229 18.330 ( 4.527 -4.022 1.992) 6.374 18.418 ( -3.415 -2.636 -1.939) 4.730 18.720 ( 1.043 5.544 -1.434) 5.821 18.839 ( -4.304 0.711 1.927) 4.769 19.186 ( -0.405 5.920 0.273) 5.940 19.369 ( -0.140 0.641 1.078) 1.262 19.434 ( -3.068 3.771 -1.486) 5.083 19.743 ( -1.661 8.527 -0.211) 8.690 20.051 ( 11.892 -2.265 -0.143) 12.106 20.944 ( -12.872 -1.808 0.267) 13.001 21.587 ( 0.208 -3.644 0.884) 3.755 21.931 ( 2.054 -1.776 -1.118) 2.936 21.935 ( 0.914 4.023 -1.110) 4.272 22.118 ( -0.793 -2.258 3.877) 4.556 22.143 ( 0.309 4.980 -2.931) 5.787 23.005 ( -0.712 -1.930 0.004) 2.058 23.036 ( -0.469 -2.664 0.743) 2.805 23.244 ( 3.467 -2.242 -0.204) 4.134 23.351 ( 3.241 -3.629 -0.215) 4.870 ======================= Grid point 173 (77/86) ======================= q-point: (-0.40 -0.40 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( -12.410 0.000 2.485) 12.656 1.453 ( -1.597 0.000 -6.280) 6.480 1.663 ( -11.214 0.000 -4.649) 12.139 1.672 ( -21.034 0.000 8.883) 22.833 2.051 ( -0.720 0.000 -1.552) 1.711 2.099 ( 4.376 -0.000 5.893) 7.341 2.311 ( 2.875 -0.000 -0.273) 2.888 2.331 ( 4.519 -0.000 -3.471) 5.698 2.353 ( -2.836 0.000 1.852) 3.387 2.509 ( 7.963 -0.000 -4.599) 9.196 2.618 ( -1.155 0.000 -6.347) 6.451 2.775 ( -14.445 0.000 2.723) 14.700 2.859 ( -5.151 0.000 0.141) 5.153 2.987 ( -6.415 0.000 7.143) 9.601 3.081 ( -5.377 0.000 -2.736) 6.033 3.132 ( 4.687 -0.000 -0.002) 4.687 3.206 ( 4.505 -0.000 6.456) 7.873 3.402 ( -1.276 0.000 -7.014) 7.130 3.507 ( 3.908 -0.000 -3.076) 4.974 3.600 ( 0.703 -0.000 -2.579) 2.673 3.656 ( -10.028 0.000 -0.445) 10.038 3.698 ( -0.608 0.000 4.756) 4.795 3.865 ( 2.677 -0.000 0.238) 2.688 3.887 ( 0.067 -0.000 -1.336) 1.338 4.061 ( 2.806 -0.000 1.327) 3.104 4.069 ( -0.970 0.000 3.737) 3.861 4.125 ( -6.397 0.000 2.800) 6.983 4.349 ( 6.485 -0.000 0.904) 6.548 4.467 ( 5.848 -0.000 -7.990) 9.902 4.485 ( -1.608 0.000 3.497) 3.849 4.620 ( 10.886 -0.000 0.231) 10.888 4.639 ( 4.990 -0.000 -1.849) 5.321 4.777 ( 2.535 -0.000 1.158) 2.787 4.924 ( 10.862 -0.000 -5.213) 12.048 5.032 ( 1.708 -0.000 1.457) 2.245 5.046 ( 2.098 -0.000 1.392) 2.518 5.088 ( 1.699 -0.000 1.475) 2.249 5.280 ( -0.221 0.000 -3.399) 3.406 5.339 ( -0.849 0.000 11.995) 12.025 5.510 ( 4.054 -0.000 -9.081) 9.945 5.813 ( 1.614 -0.000 0.745) 1.778 5.868 ( -2.865 0.000 0.412) 2.895 6.039 ( -0.076 0.000 0.834) 0.837 6.202 ( -1.598 0.000 -1.251) 2.029 6.657 ( -5.700 0.000 -2.871) 6.382 6.778 ( -1.203 0.000 2.619) 2.882 6.877 ( -3.384 0.000 1.052) 3.544 6.945 ( -4.980 0.000 0.895) 5.059 7.263 ( 2.197 -0.000 -3.994) 4.558 7.351 ( 4.084 -0.000 -4.993) 6.451 7.645 ( -2.436 0.000 -6.031) 6.504 7.715 ( 2.889 -0.000 8.976) 9.429 7.800 ( 0.695 -0.000 5.929) 5.970 7.882 ( 1.821 -0.000 -1.691) 2.485 8.241 ( -2.238 0.000 2.357) 3.250 8.408 ( 3.082 -0.000 -1.374) 3.374 8.470 ( 3.549 -0.000 1.290) 3.776 8.485 ( 0.725 -0.000 -3.481) 3.555 9.207 ( -2.474 0.000 0.198) 2.482 9.258 ( -2.995 0.000 5.145) 5.953 9.341 ( 3.694 -0.000 3.435) 5.044 9.471 ( 4.767 -0.000 -9.793) 10.892 9.881 ( 0.731 -0.000 0.199) 0.758 9.951 ( 1.632 -0.000 -1.908) 2.511 10.059 ( -7.711 0.000 6.215) 9.904 10.400 ( 5.118 -0.000 -8.393) 9.830 10.650 ( -3.075 0.000 6.627) 7.306 10.735 ( -1.109 0.000 -0.402) 1.179 11.187 ( -7.877 0.000 0.833) 7.921 11.228 ( -9.067 0.000 -2.817) 9.495 11.395 ( 6.784 -0.000 3.087) 7.453 11.410 ( -2.759 0.000 -0.993) 2.932 11.541 ( -1.643 0.000 -2.806) 3.251 11.550 ( 3.117 -0.000 1.949) 3.676 12.299 ( 2.099 -0.000 0.639) 2.194 12.322 ( 1.736 -0.000 -0.870) 1.942 12.945 ( -9.845 0.000 1.094) 9.905 13.086 ( -4.393 0.000 -0.577) 4.431 13.191 ( 2.755 -0.000 0.028) 2.755 13.192 ( 5.664 -0.000 -0.664) 5.703 16.152 ( 6.501 -0.000 -4.023) 7.645 16.174 ( 10.545 -0.000 4.664) 11.530 18.156 ( -5.229 0.000 0.339) 5.240 18.164 ( -6.177 0.000 -0.392) 6.189 18.599 ( -6.115 0.000 0.936) 6.187 18.670 ( -1.673 0.000 -0.908) 1.903 18.893 ( 6.137 -0.000 1.051) 6.227 18.922 ( 7.681 -0.000 -0.916) 7.736 19.805 ( 1.622 -0.000 -2.295) 2.811 19.819 ( 3.349 -0.000 2.493) 4.175 20.323 ( -2.606 0.000 15.693) 15.908 20.529 ( -4.359 0.000 -19.515) 19.996 21.227 ( -10.783 0.000 5.175) 11.960 21.565 ( 3.747 -0.000 -15.316) 15.768 21.956 ( -2.533 0.000 19.493) 19.657 22.098 ( -3.867 0.000 -8.397) 9.244 22.159 ( -3.897 0.000 7.101) 8.100 22.416 ( 3.087 -0.000 -2.384) 3.901 22.488 ( 3.238 -0.000 -4.459) 5.510 22.535 ( 2.471 -0.000 1.646) 2.969 22.771 ( 3.075 -0.000 1.076) 3.258 22.777 ( 2.099 -0.000 -0.569) 2.175 ======================= Grid point 174 (78/86) ======================= q-point: (-0.30 -0.40 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -14.867 1.029 5.572) 15.910 1.370 ( -13.337 4.233 -0.840) 14.018 1.527 ( -21.995 -1.278 3.850) 22.366 1.665 ( -2.580 -9.251 -9.122) 13.246 2.036 ( -3.960 -0.760 -4.237) 5.849 2.149 ( -4.733 -2.540 5.544) 7.720 2.231 ( 6.526 5.204 -0.636) 8.371 2.360 ( -5.161 -3.760 0.790) 6.434 2.440 ( -0.407 -1.511 1.489) 2.160 2.563 ( -0.101 -2.240 -3.253) 3.951 2.614 ( -4.791 -2.369 -0.819) 5.407 2.757 ( -3.566 -6.810 -1.482) 7.828 2.788 ( -4.424 0.996 0.833) 4.610 2.999 ( -2.397 -2.910 3.310) 5.017 3.026 ( -8.099 -0.914 -0.218) 8.154 3.138 ( 0.989 0.791 3.156) 3.401 3.296 ( 3.489 -2.954 0.122) 4.573 3.359 ( -1.747 1.733 -3.869) 4.586 3.447 ( -2.329 4.975 1.428) 5.676 3.590 ( 3.387 2.004 -3.328) 5.154 3.604 ( 0.332 -0.559 -2.201) 2.295 3.706 ( 4.714 1.968 2.231) 5.574 3.777 ( -7.335 3.661 -1.294) 8.300 3.922 ( 4.906 3.911 0.422) 6.288 4.007 ( -3.675 2.178 4.888) 6.492 4.099 ( 4.265 -0.092 0.729) 4.328 4.124 ( 3.104 -0.807 -1.063) 3.379 4.348 ( 6.354 4.962 -1.911) 8.285 4.482 ( -2.684 1.035 6.519) 7.126 4.490 ( 1.368 3.665 -0.827) 3.998 4.572 ( 9.201 -0.058 -4.258) 10.139 4.757 ( 8.265 -1.796 -2.280) 8.759 4.896 ( 6.654 -4.665 1.121) 8.203 4.935 ( 6.540 2.044 -3.021) 7.489 5.082 ( 3.425 -0.658 0.383) 3.508 5.128 ( -1.135 -3.133 0.539) 3.376 5.179 ( 6.308 -6.251 1.248) 8.968 5.288 ( 6.511 -1.503 2.768) 7.233 5.336 ( -5.047 -0.594 2.198) 5.537 5.558 ( 2.487 -1.287 -3.681) 4.625 5.821 ( 1.129 -1.529 -0.547) 1.978 5.892 ( -1.039 -3.057 0.559) 3.276 6.057 ( 0.189 -1.114 -0.692) 1.325 6.204 ( -2.313 -1.705 0.097) 2.876 6.601 ( -5.257 0.402 -3.280) 6.209 6.737 ( -5.821 1.389 4.483) 7.477 6.852 ( -2.738 0.433 -1.218) 3.028 6.917 ( -6.131 -0.936 2.540) 6.702 7.229 ( 2.599 4.094 -5.367) 7.233 7.356 ( 4.299 2.508 -4.027) 6.402 7.606 ( -5.010 5.731 -0.657) 7.641 7.674 ( -3.434 -1.127 -1.256) 3.827 7.785 ( 6.939 3.871 7.536) 10.951 7.965 ( 6.352 -2.614 -0.174) 6.871 8.237 ( 0.401 1.220 2.446) 2.763 8.352 ( 0.171 3.737 -0.356) 3.758 8.445 ( -1.073 -0.027 -0.994) 1.464 8.594 ( 4.635 -3.847 -0.968) 6.101 9.097 ( -2.047 8.323 0.622) 8.594 9.155 ( -0.297 9.904 1.219) 9.983 9.337 ( -2.951 1.145 6.421) 7.159 9.513 ( 5.396 -1.126 -11.877) 13.093 9.886 ( 1.642 0.113 0.576) 1.743 9.941 ( -4.699 0.905 2.584) 5.439 10.073 ( 0.734 -3.772 1.826) 4.254 10.431 ( 4.172 -1.415 -7.055) 8.317 10.602 ( -3.496 3.079 5.666) 7.336 10.724 ( -0.018 1.048 0.810) 1.324 11.086 ( -8.873 0.015 0.005) 8.873 11.249 ( -6.128 -4.814 -1.833) 8.006 11.360 ( -5.599 2.050 0.512) 5.984 11.442 ( 2.493 1.341 3.453) 4.466 11.498 ( 0.194 0.512 -3.514) 3.557 11.612 ( 3.298 -2.515 0.724) 4.210 12.331 ( 1.514 -1.673 -0.269) 2.272 12.372 ( 1.809 -3.270 -0.106) 3.739 12.712 ( -11.606 14.129 0.886) 18.306 12.886 ( -8.763 15.709 0.117) 17.988 13.168 ( 5.868 1.458 -0.728) 6.090 13.239 ( 4.548 2.595 -0.286) 5.244 16.182 ( 7.748 1.374 -2.263) 8.188 16.298 ( 13.086 -0.303 2.907) 13.408 18.024 ( -8.396 4.819 -0.073) 9.681 18.152 ( -4.163 -1.897 0.073) 4.576 18.406 ( -12.585 4.072 0.235) 13.229 18.892 ( 0.605 -6.808 -0.461) 6.850 18.957 ( 7.413 0.131 0.066) 7.414 19.023 ( 12.503 -9.738 0.393) 15.853 19.696 ( 3.204 11.011 -1.245) 11.535 19.745 ( 3.248 9.890 2.251) 10.651 20.288 ( -5.525 4.847 13.938) 15.757 20.400 ( -5.734 5.351 -17.487) 19.166 21.121 ( -15.696 2.281 1.233) 15.908 21.495 ( -1.580 5.372 -7.342) 9.234 21.799 ( -6.094 2.812 6.831) 9.577 22.057 ( -1.372 2.313 -0.174) 2.695 22.205 ( 2.044 0.767 1.823) 2.844 22.419 ( 1.363 3.713 -0.819) 4.040 22.651 ( 5.840 -13.158 -3.421) 14.797 22.688 ( 2.065 -10.494 4.886) 11.758 22.811 ( 3.997 -4.120 -1.881) 6.041 22.892 ( 4.756 -6.731 0.715) 8.273 ======================= Grid point 175 (79/86) ======================= q-point: (-0.20 -0.40 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( -14.503 -0.915 1.092) 14.573 1.251 ( -12.124 -4.763 1.815) 13.152 1.422 ( -16.921 -4.880 0.600) 17.621 1.820 ( -4.436 -9.881 -3.814) 11.483 2.002 ( -8.433 -2.213 -4.906) 10.004 2.080 ( -4.691 8.311 2.358) 9.830 2.241 ( 1.445 -4.982 1.662) 5.447 2.407 ( -4.169 1.497 0.562) 4.465 2.423 ( -6.083 -6.067 1.234) 8.679 2.577 ( -6.247 -5.190 0.686) 8.151 2.646 ( -3.882 -1.416 1.665) 4.455 2.807 ( 0.508 -4.479 0.057) 4.508 2.885 ( -6.475 -6.011 -1.865) 9.030 2.969 ( 0.238 -1.333 -3.714) 3.953 3.084 ( 2.151 -2.652 2.126) 4.022 3.155 ( 0.129 -1.368 3.888) 4.124 3.235 ( -6.388 2.613 -4.584) 8.285 3.321 ( -1.247 3.039 1.099) 3.464 3.465 ( 5.161 -5.225 1.242) 7.448 3.561 ( 3.149 5.089 -2.709) 6.569 3.625 ( 3.266 -0.349 0.854) 3.394 3.688 ( 1.795 2.732 -1.045) 3.432 3.699 ( 3.742 1.131 -1.814) 4.310 3.808 ( -4.071 5.971 -0.080) 7.227 3.978 ( -1.102 0.852 4.019) 4.253 4.081 ( 5.505 4.259 0.830) 7.010 4.194 ( 4.486 0.731 0.034) 4.545 4.293 ( 4.465 2.218 -1.060) 5.097 4.439 ( 1.536 3.358 6.255) 7.264 4.487 ( 6.601 -0.725 -2.341) 7.042 4.664 ( 8.290 -1.315 -4.513) 9.530 4.803 ( 1.031 -0.755 -2.424) 2.740 4.948 ( 2.028 0.909 0.173) 2.229 5.021 ( 7.679 -2.458 -1.103) 8.138 5.125 ( 3.968 -0.604 3.216) 5.143 5.193 ( 2.921 -2.142 -1.781) 4.037 5.246 ( -6.422 0.246 0.421) 6.440 5.340 ( 3.890 -4.938 4.254) 7.590 5.479 ( 5.377 -6.332 -1.202) 8.393 5.558 ( -1.816 -0.682 0.256) 1.956 5.876 ( 1.473 -0.820 -0.290) 1.711 5.950 ( 2.088 -3.071 -0.852) 3.810 6.079 ( -3.927 -3.196 -1.014) 5.164 6.212 ( -1.800 -0.570 0.727) 2.023 6.535 ( -5.780 1.776 -2.522) 6.551 6.683 ( -4.524 0.317 3.284) 5.599 6.814 ( -4.205 0.078 -2.280) 4.785 6.856 ( -7.351 3.930 4.378) 9.415 7.146 ( 2.402 5.310 -3.007) 6.558 7.229 ( -2.199 10.530 -2.407) 11.023 7.473 ( 1.097 3.204 -1.741) 3.808 7.665 ( -2.689 1.321 -0.007) 2.996 7.794 ( 5.235 1.204 2.427) 5.894 8.027 ( 9.185 3.238 -2.051) 9.953 8.199 ( -1.729 0.656 1.985) 2.713 8.322 ( -4.713 0.856 -4.049) 6.272 8.445 ( -1.461 -1.898 4.388) 4.999 8.701 ( 5.373 -3.444 0.225) 6.386 8.888 ( 0.640 12.940 3.254) 13.358 8.926 ( 4.004 12.249 -2.546) 13.136 9.284 ( -11.401 -0.087 7.835) 13.834 9.527 ( 2.999 0.463 -12.561) 12.922 9.876 ( -6.090 0.935 2.671) 6.715 9.925 ( 2.711 -1.850 1.093) 3.460 10.176 ( 3.852 -4.117 0.513) 5.661 10.487 ( 2.590 -2.235 -4.418) 5.588 10.534 ( -1.695 1.828 2.743) 3.706 10.700 ( 1.491 1.569 2.732) 3.485 11.050 ( -6.827 -1.538 -0.392) 7.009 11.229 ( -6.637 5.323 0.102) 8.509 11.252 ( -5.482 0.145 -1.654) 5.728 11.398 ( -2.236 3.329 1.965) 4.465 11.523 ( 2.530 -0.662 -1.212) 2.883 11.682 ( 2.935 -1.492 0.458) 3.324 12.263 ( -12.715 14.079 -0.407) 18.975 12.398 ( -4.545 1.659 0.701) 4.889 12.457 ( -3.170 7.396 0.419) 8.058 12.474 ( -1.839 3.993 -0.341) 4.409 13.179 ( 5.350 4.753 0.938) 7.218 13.187 ( 5.269 4.031 -1.517) 6.806 16.210 ( 6.016 1.157 -1.842) 6.397 16.362 ( 8.487 3.736 2.176) 9.525 17.910 ( -5.439 -0.137 -0.125) 5.442 18.181 ( -1.524 -3.530 0.126) 3.847 18.289 ( -12.425 -2.349 -0.067) 12.645 18.905 ( 2.070 2.675 0.388) 3.405 18.980 ( 5.866 3.888 0.060) 7.037 19.378 ( 11.129 -7.856 -1.118) 13.669 19.502 ( 1.433 8.542 -2.120) 8.917 19.577 ( 5.242 9.514 5.935) 12.379 20.102 ( -6.467 8.111 -1.938) 10.553 20.167 ( -6.148 10.094 -3.177) 12.239 20.912 ( -18.794 2.599 0.733) 18.987 21.427 ( -4.629 -2.559 0.594) 5.323 21.814 ( -1.815 -4.182 -1.147) 4.701 22.028 ( -2.486 -0.781 1.889) 3.219 22.151 ( 3.576 5.814 -0.964) 6.894 22.358 ( 1.831 4.699 0.204) 5.047 22.805 ( -1.891 -6.497 3.084) 7.436 22.897 ( 3.717 -5.781 -4.297) 8.106 23.049 ( 8.690 -9.036 0.387) 12.543 23.100 ( 8.217 -9.598 1.021) 12.676 ======================= Grid point 176 (80/86) ======================= q-point: (-0.10 -0.40 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -8.786 -9.160 -7.060) 14.524 1.324 ( -9.291 -9.151 2.348) 13.251 1.485 ( -6.641 -11.659 -0.466) 13.425 1.817 ( -10.713 8.022 9.452) 16.385 1.965 ( -4.726 -5.657 -3.602) 8.204 1.999 ( -4.314 -2.879 -0.033) 5.186 2.300 ( -3.634 4.119 -1.390) 5.666 2.410 ( 2.044 -9.326 0.060) 9.547 2.501 ( -12.208 -8.629 -0.507) 14.958 2.616 ( 1.271 2.736 0.535) 3.064 2.655 ( -1.505 -4.211 0.617) 4.514 2.834 ( -8.326 -2.984 3.499) 9.512 2.928 ( 2.364 -0.585 -5.329) 5.859 3.034 ( 3.290 -2.869 -1.823) 4.731 3.128 ( -3.631 -0.703 -0.913) 3.810 3.192 ( 0.782 -1.295 -0.464) 1.583 3.203 ( -1.294 -4.967 0.951) 5.220 3.296 ( -1.504 -0.563 3.666) 4.002 3.439 ( 3.260 7.445 -4.317) 9.203 3.577 ( 1.989 6.878 -0.194) 7.163 3.638 ( 0.786 -5.117 3.232) 6.103 3.669 ( 1.705 1.766 -0.272) 2.470 3.699 ( 1.267 0.591 -3.123) 3.421 3.744 ( 3.790 -1.825 0.525) 4.240 3.971 ( -2.040 -1.282 3.525) 4.270 4.078 ( 3.697 2.661 0.367) 4.569 4.177 ( 4.460 0.613 2.090) 4.964 4.324 ( 3.466 -0.645 -1.735) 3.929 4.397 ( 5.747 4.666 3.222) 8.074 4.563 ( 7.698 -0.137 -3.476) 8.448 4.720 ( 2.801 -0.470 -3.673) 4.643 4.830 ( 1.095 -2.214 -1.307) 2.794 4.950 ( 0.196 -0.596 2.334) 2.417 5.095 ( -0.678 -0.602 -3.338) 3.459 5.166 ( -2.822 -1.512 3.248) 4.561 5.195 ( 5.097 -0.802 -0.519) 5.186 5.250 ( 3.227 0.925 0.546) 3.401 5.454 ( 0.591 -4.015 3.173) 5.151 5.533 ( -2.320 -1.622 -0.099) 2.832 5.643 ( 4.525 -3.739 0.419) 5.885 5.851 ( 1.397 3.794 -0.542) 4.079 6.026 ( 2.030 -2.626 -0.553) 3.365 6.118 ( -4.963 -4.637 -0.350) 6.801 6.198 ( -6.652 -0.724 0.597) 6.718 6.407 ( -8.361 4.768 -0.829) 9.661 6.623 ( -4.707 9.665 4.099) 11.505 6.704 ( -0.901 -0.042 -2.643) 2.793 6.774 ( -4.586 0.134 -1.417) 4.802 7.010 ( -2.473 9.233 -2.780) 9.955 7.067 ( -1.828 2.604 0.851) 3.294 7.456 ( 5.372 1.339 -1.710) 5.795 7.603 ( -2.882 2.636 2.809) 4.811 7.808 ( 1.636 1.296 0.463) 2.138 7.990 ( 4.722 5.573 -2.824) 7.831 8.143 ( -4.925 6.237 -7.730) 11.087 8.206 ( -7.559 -0.034 4.321) 8.707 8.512 ( 2.660 -2.326 5.489) 6.528 8.681 ( 3.527 8.970 1.337) 9.731 8.743 ( 3.833 3.033 -0.594) 4.924 8.885 ( 8.427 -2.021 1.953) 8.884 9.213 ( -10.045 -0.278 6.217) 11.816 9.479 ( 0.154 2.744 -11.312) 11.641 9.835 ( -3.260 -0.335 1.857) 3.767 10.006 ( 0.186 -5.004 0.095) 5.009 10.282 ( 2.891 -3.454 0.139) 4.507 10.469 ( -1.474 0.851 -0.065) 1.703 10.597 ( 4.446 -4.391 -2.493) 6.728 10.715 ( 3.418 0.124 4.752) 5.855 10.985 ( -4.344 3.184 -2.177) 5.810 11.076 ( -8.757 4.890 1.558) 10.150 11.157 ( -3.784 4.678 1.059) 6.109 11.283 ( -3.984 6.307 -1.679) 7.647 11.516 ( 2.039 2.832 -0.075) 3.490 11.704 ( 1.992 1.450 0.088) 2.465 11.986 ( -6.470 4.135 0.178) 7.680 12.077 ( -10.075 9.772 -0.151) 14.036 12.488 ( 0.681 -3.769 0.330) 3.844 12.549 ( -0.381 -4.354 -0.234) 4.377 13.070 ( 4.077 8.349 -0.227) 9.294 13.173 ( 4.753 3.381 0.101) 5.834 16.222 ( 3.046 0.894 -1.503) 3.512 16.315 ( 1.333 4.778 1.575) 5.204 17.941 ( 0.882 -3.919 -0.374) 4.035 18.266 ( 1.077 -5.415 0.408) 5.536 18.294 ( -6.556 -5.762 -0.208) 8.731 18.850 ( -3.825 4.036 1.678) 5.808 18.888 ( 6.411 8.590 -1.230) 10.789 19.305 ( -2.444 7.136 -0.153) 7.545 19.433 ( 4.225 3.958 1.206) 5.914 19.504 ( -1.838 6.194 0.437) 6.476 19.898 ( -5.442 10.222 -3.318) 12.047 20.091 ( 8.655 -2.711 0.460) 9.081 20.783 ( -13.620 -3.332 0.708) 14.040 21.481 ( -4.322 -5.662 0.785) 7.166 21.883 ( 0.293 -3.734 -1.866) 4.185 22.020 ( -2.473 1.771 0.417) 3.070 22.091 ( 2.878 1.415 2.018) 3.789 22.260 ( 1.366 6.421 -1.772) 6.800 22.910 ( -2.825 -5.394 4.938) 7.839 22.997 ( 2.879 -3.050 -5.115) 6.614 23.226 ( 5.230 -4.086 1.573) 6.821 23.315 ( 8.272 -4.581 -0.925) 9.501 ======================= Grid point 184 (81/86) ======================= q-point: (-0.30 -0.30 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.116 ( -20.621 0.000 7.194) 21.840 1.310 ( -21.880 0.000 1.970) 21.968 1.382 ( -8.868 0.000 -2.827) 9.307 1.449 ( -12.799 0.000 -8.187) 15.193 1.992 ( -10.598 0.000 -1.172) 10.663 2.038 ( -14.432 0.000 4.243) 15.043 2.209 ( -12.151 0.000 -0.985) 12.191 2.360 ( -9.127 0.000 4.116) 10.012 2.390 ( 1.009 -0.000 5.266) 5.362 2.523 ( -5.161 0.000 -4.874) 7.099 2.581 ( 3.785 -0.000 -4.133) 5.605 2.653 ( 7.256 -0.000 -10.557) 12.810 2.859 ( 6.574 -0.000 -0.398) 6.586 2.896 ( -8.354 0.000 9.096) 12.351 2.962 ( -8.002 0.000 1.168) 8.087 3.144 ( -2.291 0.000 2.560) 3.436 3.271 ( -0.147 0.000 -0.608) 0.626 3.407 ( 7.155 -0.000 0.289) 7.161 3.456 ( -8.772 0.000 2.524) 9.128 3.615 ( 2.770 -0.000 -5.509) 6.167 3.622 ( 4.061 -0.000 -2.686) 4.869 3.739 ( -4.754 0.000 -1.458) 4.973 3.781 ( 5.757 -0.000 1.673) 5.995 3.985 ( -2.968 0.000 0.442) 3.000 4.048 ( -2.366 0.000 3.258) 4.027 4.094 ( 5.297 -0.000 3.963) 6.615 4.186 ( 11.609 -0.000 -3.091) 12.013 4.437 ( 3.627 -0.000 -2.176) 4.229 4.514 ( 4.474 -0.000 5.166) 6.834 4.540 ( 4.578 -0.000 -2.789) 5.361 4.669 ( 1.615 -0.000 0.510) 1.694 4.766 ( 8.144 -0.000 0.208) 8.147 4.893 ( 10.297 -0.000 -3.744) 10.956 4.983 ( -1.012 0.000 -3.375) 3.523 5.058 ( 0.568 -0.000 0.713) 0.912 5.154 ( 6.348 -0.000 -0.088) 6.349 5.175 ( 4.733 -0.000 4.132) 6.283 5.271 ( 7.552 -0.000 -2.272) 7.886 5.396 ( 0.395 -0.000 10.869) 10.877 5.560 ( 6.076 -0.000 -10.292) 11.952 5.785 ( -6.106 0.000 1.853) 6.381 5.847 ( 2.617 -0.000 -1.042) 2.817 6.090 ( 5.411 -0.000 -1.318) 5.569 6.150 ( -3.890 0.000 1.652) 4.227 6.558 ( -4.207 0.000 -3.968) 5.784 6.695 ( -9.667 0.000 5.771) 11.259 6.835 ( -9.423 0.000 1.406) 9.527 6.848 ( -2.442 0.000 -1.944) 3.121 7.285 ( 3.512 -0.000 -7.937) 8.679 7.373 ( 0.867 -0.000 -3.741) 3.840 7.626 ( 2.505 -0.000 -3.853) 4.596 7.639 ( -11.886 0.000 5.349) 13.034 7.903 ( 3.070 -0.000 -4.259) 5.250 7.959 ( 8.244 -0.000 11.812) 14.404 8.249 ( 0.910 -0.000 4.146) 4.244 8.443 ( 2.690 -0.000 -2.113) 3.421 8.500 ( 2.221 -0.000 -0.630) 2.309 8.528 ( 3.957 -0.000 -2.558) 4.712 9.135 ( -6.146 0.000 -0.523) 6.168 9.171 ( -10.958 0.000 8.947) 14.147 9.435 ( 6.879 -0.000 -3.999) 7.957 9.525 ( 5.744 -0.000 -11.034) 12.440 9.918 ( -3.644 0.000 3.385) 4.974 9.938 ( 6.313 -0.000 3.157) 7.059 10.050 ( 4.719 -0.000 -0.229) 4.724 10.429 ( 3.325 -0.000 -7.804) 8.483 10.646 ( -1.313 0.000 6.955) 7.078 10.702 ( -2.909 0.000 0.235) 2.919 11.072 ( -7.451 0.000 -5.210) 9.092 11.093 ( -5.500 0.000 6.833) 8.772 11.320 ( -7.175 0.000 0.297) 7.181 11.461 ( -4.466 0.000 -3.240) 5.517 11.527 ( 6.216 -0.000 1.036) 6.301 11.608 ( 2.896 -0.000 0.722) 2.985 12.341 ( 2.867 -0.000 -0.336) 2.887 12.345 ( 0.817 -0.000 0.037) 0.818 12.763 ( -13.504 0.000 2.910) 13.814 12.983 ( -7.920 0.000 -3.438) 8.634 13.246 ( 3.860 -0.000 0.482) 3.890 13.275 ( 5.167 -0.000 -0.932) 5.251 16.262 ( 9.394 -0.000 -6.863) 11.633 16.439 ( 18.817 -0.000 8.096) 20.485 18.027 ( -10.015 0.000 -0.210) 10.017 18.059 ( -6.700 0.000 0.350) 6.709 18.500 ( -7.140 0.000 2.336) 7.512 18.624 ( -2.916 0.000 -3.152) 4.294 19.024 ( 9.068 -0.000 1.602) 9.208 19.065 ( 10.594 -0.000 -0.975) 10.638 19.850 ( 4.707 -0.000 -1.394) 4.909 19.883 ( 2.751 -0.000 2.462) 3.692 20.308 ( -8.009 0.000 13.953) 16.089 20.360 ( -6.147 0.000 -16.475) 17.584 21.013 ( -17.531 0.000 1.729) 17.616 21.504 ( -1.176 0.000 -20.443) 20.476 21.987 ( -3.557 0.000 13.483) 13.944 22.024 ( -1.934 0.000 -4.102) 4.535 22.150 ( -1.994 0.000 11.597) 11.768 22.442 ( 0.484 -0.000 1.122) 1.222 22.544 ( 7.630 -0.000 -8.311) 11.283 22.593 ( 3.100 -0.000 4.961) 5.850 22.819 ( 3.329 -0.000 -0.444) 3.358 22.845 ( 5.628 -0.000 -0.005) 5.628 ======================= Grid point 185 (82/86) ======================= q-point: (-0.20 -0.30 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -19.176 -1.190 9.064) 21.244 1.125 ( -18.432 0.161 -0.381) 18.436 1.208 ( -15.812 1.028 -1.775) 15.945 1.533 ( -7.713 -12.497 -7.726) 16.594 1.868 ( -16.349 -2.147 -1.850) 16.593 1.984 ( -18.495 -6.307 4.835) 20.130 2.107 ( -19.876 -2.834 -2.538) 20.237 2.311 ( -10.593 -3.683 3.360) 11.708 2.422 ( -3.257 -2.353 5.867) 7.111 2.481 ( 7.354 8.124 -6.310) 12.644 2.543 ( -4.665 -3.603 -3.434) 6.822 2.777 ( 2.468 -3.240 -3.465) 5.348 2.810 ( 1.313 1.629 4.431) 4.900 2.905 ( -3.414 -2.301 -1.540) 4.396 3.002 ( 2.085 -4.891 0.597) 5.350 3.177 ( 1.503 -2.053 2.686) 3.699 3.240 ( -2.015 2.806 -0.563) 3.500 3.383 ( -1.734 1.641 0.812) 2.522 3.437 ( 2.104 0.550 1.546) 2.668 3.624 ( 2.026 1.190 -2.865) 3.705 3.652 ( 4.892 0.053 -1.473) 5.109 3.696 ( -0.950 -0.638 -1.361) 1.778 3.797 ( 5.382 2.707 -1.530) 6.215 3.914 ( -2.134 5.492 -1.455) 6.069 4.036 ( 1.023 1.851 6.748) 7.072 4.156 ( 0.604 -0.581 2.451) 2.590 4.244 ( 11.700 1.536 -1.810) 11.939 4.410 ( 3.758 5.208 -1.603) 6.619 4.513 ( 3.639 1.709 -1.474) 4.282 4.524 ( 3.402 2.279 4.043) 5.754 4.702 ( 7.403 -0.852 -2.111) 7.745 4.856 ( 6.565 3.730 -4.178) 8.630 4.959 ( 0.211 -2.545 -0.549) 2.612 5.041 ( 6.853 -4.856 0.116) 8.400 5.071 ( -1.821 -3.162 -0.249) 3.657 5.161 ( 1.846 1.047 2.779) 3.497 5.255 ( 5.017 -1.551 0.716) 5.299 5.371 ( 3.717 1.590 5.530) 6.850 5.427 ( 10.341 -4.438 -1.566) 11.362 5.547 ( -0.885 1.887 -4.644) 5.090 5.816 ( -1.621 -4.810 0.762) 5.132 5.890 ( 1.752 -2.537 -1.542) 3.447 6.071 ( 1.350 2.224 -0.142) 2.606 6.187 ( 0.133 -1.748 1.042) 2.039 6.513 ( -3.995 0.913 -3.827) 5.607 6.630 ( -8.608 -0.506 3.605) 9.346 6.761 ( -9.104 -0.412 1.244) 9.198 6.823 ( -6.194 -0.952 -0.803) 6.318 7.241 ( 0.943 4.103 -5.057) 6.580 7.348 ( -6.928 4.394 -0.009) 8.204 7.512 ( -3.935 1.629 -2.424) 4.900 7.634 ( -1.028 0.480 -2.540) 2.782 7.898 ( 5.430 2.566 0.883) 6.070 8.080 ( 5.704 -2.826 6.477) 9.081 8.268 ( 0.232 0.887 3.024) 3.160 8.353 ( 1.839 9.094 -3.317) 9.854 8.445 ( 1.659 0.689 0.201) 1.808 8.668 ( 5.530 -5.049 -1.503) 7.637 9.037 ( -5.008 4.646 -0.631) 6.860 9.099 ( -8.835 1.067 7.676) 11.752 9.330 ( 0.376 12.442 -2.018) 12.610 9.530 ( 1.666 -0.012 -10.322) 10.455 9.879 ( -0.183 2.729 0.587) 2.798 9.972 ( 5.951 2.537 3.908) 7.558 10.152 ( 8.025 -3.556 0.713) 8.806 10.455 ( 2.556 -1.798 -6.037) 6.798 10.569 ( -3.150 3.416 3.119) 5.596 10.741 ( 1.415 -0.498 2.462) 2.883 10.953 ( -7.634 -0.337 0.407) 7.652 11.177 ( -3.024 -4.407 1.675) 5.601 11.247 ( -7.287 2.039 1.825) 7.784 11.396 ( -5.885 0.586 -4.104) 7.198 11.563 ( 5.750 1.239 1.488) 6.067 11.664 ( 3.039 -2.540 -0.018) 3.961 12.326 ( -4.903 2.282 0.257) 5.414 12.386 ( 0.044 -1.241 -0.363) 1.294 12.541 ( -8.248 10.016 2.145) 13.151 12.698 ( -14.189 16.857 -2.432) 22.167 13.264 ( 6.238 1.138 -0.960) 6.414 13.307 ( 3.954 2.270 -0.195) 4.563 16.293 ( 7.651 2.210 -6.173) 10.076 16.559 ( 15.414 6.279 7.397) 18.213 17.888 ( -7.652 3.235 0.013) 8.308 18.070 ( -5.770 -4.611 0.188) 7.389 18.201 ( -12.974 6.373 -0.385) 14.460 18.903 ( 0.729 -8.591 -0.523) 8.637 19.091 ( 9.253 1.235 0.446) 9.346 19.250 ( 15.606 -12.523 -0.039) 20.010 19.747 ( 3.300 12.558 -2.266) 13.180 19.809 ( 2.769 8.774 3.899) 9.992 20.175 ( -11.627 7.829 -5.047) 14.898 20.253 ( -7.208 4.117 0.975) 8.358 20.827 ( -20.413 3.972 -0.212) 20.797 21.374 ( -8.807 4.016 -10.425) 14.226 21.754 ( -3.376 2.786 7.337) 8.544 22.019 ( -3.029 1.904 0.359) 3.596 22.269 ( 4.870 1.230 0.342) 5.034 22.426 ( -0.368 1.258 1.387) 1.908 22.684 ( 1.062 -5.862 1.101) 6.058 22.810 ( 8.357 -8.112 -1.872) 11.796 22.908 ( 9.888 -12.307 0.025) 15.788 22.985 ( 6.485 -7.989 1.471) 10.395 ======================= Grid point 186 (83/86) ======================= q-point: (-0.10 -0.30 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( -13.594 -3.358 -3.011) 14.322 1.073 ( -11.533 -7.087 1.799) 13.656 1.184 ( -12.164 -10.840 0.785) 16.312 1.701 ( -8.014 -11.929 -2.618) 14.607 1.847 ( -7.482 -4.913 -0.675) 8.976 1.925 ( -15.809 1.138 5.355) 16.730 2.083 ( -19.745 -13.154 -0.803) 23.739 2.316 ( -13.641 -5.415 9.329) 17.391 2.387 ( 3.811 3.890 -7.336) 9.137 2.464 ( -2.081 -4.697 -1.741) 5.424 2.600 ( -2.537 -4.412 -2.649) 5.737 2.739 ( -5.353 0.419 0.595) 5.402 2.864 ( -1.634 -5.198 -0.222) 5.453 2.969 ( -2.736 -3.452 -0.405) 4.424 3.100 ( 4.285 -2.152 -4.958) 6.897 3.169 ( 3.255 1.721 1.261) 3.892 3.226 ( 3.009 -0.150 1.900) 3.562 3.325 ( -0.375 3.334 2.166) 3.994 3.536 ( 3.213 -6.279 -0.700) 7.088 3.578 ( 2.879 3.380 -1.840) 4.806 3.685 ( 0.595 -0.011 2.814) 2.877 3.746 ( 1.091 8.052 -0.452) 8.138 3.759 ( 6.712 1.231 -4.389) 8.114 3.764 ( 3.615 1.652 -2.037) 4.466 3.981 ( -2.435 3.794 7.121) 8.428 4.155 ( 3.872 1.556 1.396) 4.400 4.313 ( 3.863 7.584 -0.347) 8.518 4.325 ( 5.641 -1.625 -0.694) 5.911 4.504 ( 3.605 1.897 4.579) 6.129 4.598 ( 7.853 -2.834 -3.970) 9.245 4.738 ( -1.515 -1.089 1.006) 2.119 4.817 ( 5.390 4.548 -7.352) 10.188 4.938 ( -1.222 -0.197 -1.220) 1.738 5.077 ( -3.380 -0.795 1.803) 3.912 5.144 ( 1.311 0.767 3.655) 3.958 5.235 ( 1.701 -2.299 1.613) 3.283 5.302 ( 10.913 0.710 -1.267) 11.009 5.412 ( 1.719 -1.714 1.397) 2.801 5.504 ( 1.982 -0.469 -2.942) 3.578 5.596 ( 4.303 -4.741 1.334) 6.540 5.880 ( -1.879 -2.882 0.513) 3.479 5.952 ( 0.089 -2.944 -1.516) 3.313 6.058 ( 1.738 0.534 0.171) 1.826 6.170 ( -4.308 1.628 0.872) 4.687 6.410 ( -9.706 3.561 -0.363) 10.345 6.621 ( -2.740 -2.645 -1.288) 4.021 6.710 ( -8.737 -0.552 3.508) 9.432 6.765 ( -5.271 3.340 -2.151) 6.600 7.075 ( -11.254 6.123 2.448) 13.044 7.178 ( -0.340 7.024 -7.054) 9.961 7.510 ( 3.587 0.627 -4.770) 6.001 7.576 ( -8.474 0.316 2.057) 8.725 7.889 ( 4.273 3.222 3.162) 6.216 8.149 ( 5.362 2.396 -1.152) 5.985 8.180 ( -0.612 6.922 -1.333) 7.076 8.202 ( -5.894 4.144 -2.828) 7.740 8.502 ( 5.130 -2.756 5.861) 8.262 8.776 ( 3.069 -0.660 0.310) 3.155 8.909 ( 1.365 7.007 1.458) 7.286 8.992 ( 5.387 7.940 -1.620) 9.731 9.116 ( -13.276 -0.519 8.164) 15.594 9.501 ( -0.815 1.368 -9.263) 9.399 9.822 ( -0.486 2.347 -0.521) 2.453 9.966 ( 0.482 0.726 2.497) 2.645 10.274 ( 7.734 -1.940 0.701) 8.005 10.471 ( -2.134 0.939 -0.497) 2.384 10.553 ( 3.209 -2.627 -3.087) 5.170 10.756 ( 3.294 0.100 4.810) 5.831 10.951 ( -5.148 -2.328 -0.768) 5.701 11.100 ( -9.277 4.548 2.414) 10.610 11.194 ( -1.342 2.100 -1.382) 2.850 11.332 ( -5.356 1.913 -1.046) 5.783 11.583 ( 4.164 1.643 1.033) 4.594 11.728 ( 3.082 -1.104 -0.644) 3.337 12.052 ( -12.607 10.260 0.058) 16.254 12.192 ( -16.893 12.781 -0.476) 21.189 12.459 ( 1.614 -0.068 0.624) 1.731 12.490 ( 1.114 -1.972 -0.199) 2.273 13.248 ( 3.458 6.491 0.060) 7.355 13.273 ( 5.190 2.840 -0.691) 5.956 16.278 ( 3.790 2.660 -3.754) 5.961 16.458 ( 0.195 9.694 4.472) 10.677 17.876 ( 2.377 -4.021 -0.258) 4.678 18.119 ( -8.007 -5.393 -0.506) 9.667 18.142 ( -3.191 -6.523 0.484) 7.278 18.918 ( -2.040 3.890 1.037) 4.513 19.103 ( 9.178 5.919 -0.362) 10.927 19.465 ( -4.238 13.499 -0.920) 14.178 19.534 ( 6.639 1.239 0.275) 6.759 19.664 ( 0.762 9.345 2.632) 9.738 19.989 ( -0.772 1.554 -11.827) 11.953 20.097 ( -3.112 2.154 6.798) 7.781 20.624 ( -16.095 -0.670 1.155) 16.151 21.311 ( -9.889 -5.783 -1.389) 11.539 21.791 ( -0.737 -4.670 0.570) 4.762 21.982 ( -3.419 -0.742 0.873) 3.606 22.216 ( 4.278 5.915 -0.327) 7.307 22.379 ( 0.925 4.602 -0.567) 4.728 22.798 ( -1.466 -5.429 5.501) 7.866 22.939 ( 4.427 -4.268 -6.421) 8.890 23.165 ( 5.697 -7.230 3.094) 9.711 23.290 ( 14.385 -7.935 -2.168) 16.571 ======================= Grid point 195 (84/86) ======================= q-point: (-0.20 -0.20 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( -20.244 0.000 11.702) 23.383 0.925 ( -26.686 0.000 7.500) 27.720 1.195 ( -13.062 0.000 -10.057) 16.485 1.267 ( -2.248 0.000 -9.694) 9.951 1.587 ( -37.881 0.000 7.291) 38.577 1.765 ( -21.106 0.000 -2.588) 21.264 1.932 ( -15.572 0.000 -5.404) 16.483 2.213 ( -4.877 0.000 -0.655) 4.920 2.357 ( -9.551 0.000 7.232) 11.981 2.448 ( -4.867 0.000 -5.546) 7.379 2.696 ( 4.590 -0.000 1.185) 4.740 2.740 ( 6.727 -0.000 -2.763) 7.272 2.835 ( 0.716 -0.000 3.531) 3.603 2.844 ( -5.880 0.000 -0.203) 5.884 3.021 ( 11.036 -0.000 0.914) 11.073 3.120 ( -0.594 0.000 1.408) 1.528 3.309 ( 3.272 -0.000 1.399) 3.559 3.350 ( -2.628 0.000 -3.054) 4.029 3.494 ( 1.364 -0.000 2.279) 2.656 3.609 ( -0.993 0.000 -4.441) 4.551 3.687 ( -1.064 0.000 -2.673) 2.877 3.697 ( 5.927 -0.000 -1.207) 6.049 3.805 ( -3.299 0.000 2.741) 4.289 3.956 ( -0.078 0.000 -1.148) 1.151 4.101 ( 8.654 -0.000 -3.294) 9.260 4.137 ( -3.711 0.000 8.114) 8.922 4.387 ( 12.414 -0.000 0.033) 12.414 4.491 ( 4.763 -0.000 -1.508) 4.996 4.563 ( 1.027 -0.000 -1.387) 1.726 4.612 ( 3.948 -0.000 3.027) 4.975 4.750 ( 8.673 -0.000 -3.959) 9.534 4.858 ( -0.846 0.000 1.093) 1.382 4.973 ( 6.136 -0.000 -1.515) 6.321 5.032 ( 9.263 -0.000 -5.170) 10.609 5.055 ( -0.848 0.000 -0.571) 1.023 5.186 ( -0.665 0.000 3.184) 3.252 5.279 ( 6.668 -0.000 3.483) 7.523 5.407 ( -2.569 0.000 4.755) 5.405 5.469 ( 12.227 -0.000 -1.547) 12.325 5.585 ( 3.238 -0.000 -10.893) 11.364 5.749 ( 0.588 -0.000 3.333) 3.385 5.885 ( 2.694 -0.000 -1.398) 3.035 6.118 ( -1.178 0.000 2.684) 2.931 6.177 ( 5.698 -0.000 -0.587) 5.728 6.491 ( -2.488 0.000 -4.867) 5.466 6.557 ( -9.965 0.000 4.494) 10.932 6.670 ( -10.507 0.000 0.632) 10.526 6.740 ( -10.082 0.000 -2.647) 10.423 7.291 ( 0.628 0.000 -6.486) 6.516 7.291 ( -15.870 0.000 6.882) 17.298 7.471 ( -4.549 0.000 -4.402) 6.330 7.644 ( 0.729 -0.000 -7.867) 7.900 7.970 ( 8.607 -0.000 -4.475) 9.701 8.107 ( 2.579 -0.000 13.202) 13.452 8.291 ( 1.497 -0.000 4.073) 4.339 8.456 ( -1.745 0.000 0.401) 1.791 8.568 ( 2.878 -0.000 -3.601) 4.610 8.572 ( 8.205 -0.000 -1.383) 8.321 9.023 ( -6.542 0.000 -2.219) 6.908 9.025 ( -11.739 0.000 10.399) 15.683 9.499 ( 5.387 -0.000 -10.519) 11.818 9.500 ( -3.476 0.000 -5.803) 6.765 9.946 ( 6.684 -0.000 -2.467) 7.125 10.119 ( 12.625 -0.000 7.089) 14.479 10.182 ( 12.060 -0.000 -1.214) 12.121 10.440 ( 2.557 -0.000 -6.646) 7.121 10.646 ( -4.324 0.000 0.429) 4.345 10.657 ( -1.027 0.000 3.201) 3.362 10.957 ( -3.675 0.000 -6.252) 7.252 11.092 ( -0.799 0.000 13.412) 13.436 11.214 ( -5.550 0.000 4.160) 6.936 11.336 ( -7.634 0.000 -5.955) 9.682 11.637 ( 6.040 -0.000 1.353) 6.189 11.650 ( 2.535 -0.000 -0.736) 2.639 12.316 ( -6.884 0.000 2.900) 7.470 12.381 ( 2.232 -0.000 -1.651) 2.777 12.576 ( -10.038 0.000 3.877) 10.761 12.778 ( -14.771 0.000 -10.809) 18.304 13.313 ( 4.111 -0.000 0.321) 4.124 13.347 ( 4.330 -0.000 -1.070) 4.460 16.363 ( 7.994 -0.000 -10.503) 13.199 16.844 ( 26.291 -0.000 11.346) 28.634 17.877 ( -7.763 0.000 0.451) 7.776 17.955 ( -6.231 0.000 -0.159) 6.233 18.389 ( -8.616 0.000 3.561) 9.323 18.532 ( -6.509 0.000 -9.425) 11.454 19.183 ( 9.565 -0.000 1.164) 9.636 19.248 ( 12.658 -0.000 -0.208) 12.660 19.909 ( -0.988 0.000 0.575) 1.143 19.928 ( 5.412 -0.000 -1.564) 5.634 20.192 ( -13.622 0.000 11.042) 17.535 20.202 ( -5.070 0.000 -10.249) 11.434 20.711 ( -19.717 0.000 0.169) 19.717 21.308 ( -11.166 0.000 -29.451) 31.497 21.977 ( -2.025 0.000 4.233) 4.692 21.990 ( -1.041 0.000 -1.445) 1.781 22.208 ( 1.118 -0.000 16.542) 16.580 22.443 ( -0.287 0.000 -0.336) 0.442 22.661 ( 10.619 -0.000 -5.296) 11.867 22.698 ( 6.504 -0.000 11.578) 13.280 22.872 ( 3.258 -0.000 -0.295) 3.271 22.937 ( 5.905 -0.000 -1.364) 6.061 ======================= Grid point 196 (85/86) ======================= q-point: (-0.10 -0.20 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 150 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -19.114 -2.039 9.588) 21.481 0.818 ( -20.091 -8.412 8.173) 23.264 1.015 ( -5.621 2.826 -12.143) 13.676 1.391 ( -4.839 -11.901 -6.972) 14.617 1.465 ( -30.548 -16.016 8.552) 35.537 1.663 ( -24.187 -9.612 -7.898) 27.198 1.827 ( -7.917 -0.382 1.926) 8.157 2.173 ( -6.918 -0.139 -1.148) 7.014 2.356 ( -7.220 -5.442 4.628) 10.157 2.441 ( -5.573 -4.756 -3.934) 8.316 2.579 ( 2.634 8.541 3.953) 9.773 2.758 ( -2.733 4.186 -2.621) 5.645 2.787 ( -1.987 -0.759 0.843) 2.288 2.898 ( 0.799 -0.700 0.020) 1.063 3.113 ( 10.362 -1.708 -6.492) 12.346 3.200 ( 0.310 -4.025 5.875) 7.128 3.253 ( 3.360 3.170 -0.859) 4.699 3.380 ( -1.401 2.234 0.611) 2.707 3.463 ( 3.458 -3.057 -2.314) 5.163 3.647 ( 3.371 0.940 -3.600) 5.021 3.664 ( -2.941 -2.189 2.420) 4.393 3.761 ( 7.185 -2.227 -1.438) 7.658 3.823 ( -1.266 -0.934 -1.656) 2.284 3.894 ( 0.906 5.629 -0.864) 5.766 4.055 ( -4.086 3.874 7.171) 9.118 4.181 ( 3.605 -0.575 -2.132) 4.227 4.401 ( 6.795 5.317 2.674) 9.033 4.499 ( 7.803 3.596 -2.110) 8.847 4.578 ( 3.684 -1.789 0.473) 4.122 4.591 ( 3.470 4.129 0.222) 5.398 4.757 ( 0.777 3.767 -0.814) 3.932 4.887 ( -7.136 -0.463 -1.513) 7.310 4.970 ( 11.081 3.041 -7.428) 13.683 5.051 ( -1.049 0.623 2.241) 2.551 5.144 ( 4.501 -5.166 0.949) 6.917 5.220 ( 3.772 -0.384 2.632) 4.615 5.353 ( -2.613 -3.804 7.179) 8.534 5.421 ( 9.862 0.676 -4.969) 11.063 5.543 ( 3.941 2.498 -7.914) 9.187 5.567 ( 6.445 -2.015 -0.238) 6.757 5.796 ( -1.663 -2.211 1.839) 3.322 5.917 ( 2.302 -1.985 -1.228) 3.278 6.108 ( 2.218 1.257 2.651) 3.678 6.192 ( -0.614 2.760 0.256) 2.839 6.392 ( -10.686 3.303 -0.092) 11.185 6.545 ( -3.506 -3.055 0.061) 4.651 6.616 ( -7.623 -1.561 0.465) 7.795 6.695 ( -8.046 -3.823 -4.092) 9.803 7.082 ( -20.078 5.356 7.003) 21.928 7.252 ( -0.990 3.124 -8.231) 8.859 7.472 ( -0.129 -2.191 -5.352) 5.784 7.570 ( -6.147 3.336 -5.554) 8.931 7.995 ( 6.271 3.531 0.517) 7.215 8.182 ( 2.554 -1.253 8.564) 9.024 8.238 ( -3.529 4.777 -0.478) 5.958 8.383 ( 2.282 8.964 -2.050) 9.474 8.514 ( 6.326 -1.449 2.066) 6.811 8.754 ( 5.790 -5.003 -2.174) 7.954 8.950 ( -5.318 0.959 -0.410) 5.419 8.983 ( -8.812 -1.964 8.029) 12.082 9.314 ( -0.630 17.054 -4.212) 17.578 9.467 ( -4.752 0.013 -3.785) 6.075 9.936 ( 8.041 6.133 -5.300) 11.418 10.085 ( 2.829 10.086 7.640) 12.965 10.320 ( 11.419 -1.618 0.331) 11.538 10.465 ( 1.944 -1.293 -2.906) 3.727 10.545 ( 0.163 1.172 -0.846) 1.455 10.773 ( 0.848 -4.035 -0.747) 4.190 10.854 ( -4.912 0.560 2.329) 5.465 11.100 ( -7.247 1.687 2.308) 7.791 11.218 ( -1.358 1.474 0.287) 2.025 11.287 ( -2.193 -2.092 2.783) 4.115 11.647 ( 3.706 1.260 0.098) 3.916 11.718 ( 4.143 -2.275 -0.759) 4.787 12.143 ( -16.411 10.031 1.977) 19.336 12.284 ( -18.365 11.794 -5.708) 22.560 12.491 ( -2.778 2.866 -1.541) 4.278 12.494 ( -1.662 2.127 1.574) 3.125 13.351 ( 5.032 1.318 -1.742) 5.486 13.359 ( 2.672 1.853 0.042) 3.252 16.363 ( 6.255 3.371 -9.189) 11.616 16.780 ( 2.628 23.333 10.663) 25.788 17.825 ( 1.794 -2.853 -0.050) 3.370 17.983 ( -4.746 -6.221 -0.245) 7.828 18.006 ( -9.872 3.181 -0.781) 10.402 18.872 ( -5.878 -9.736 -4.815) 12.350 19.244 ( 9.050 1.543 0.505) 9.195 19.515 ( 17.162 -13.428 -0.678) 21.802 19.740 ( -4.751 16.753 -1.053) 17.446 19.833 ( -4.827 8.885 -0.693) 10.135 19.983 ( -3.401 5.061 -0.602) 6.127 20.141 ( -6.942 3.723 1.816) 8.084 20.511 ( -17.679 2.598 0.775) 17.886 21.106 ( -17.882 -2.484 -14.125) 22.923 21.760 ( -0.381 3.753 8.196) 9.023 21.972 ( -2.767 2.222 -0.216) 3.555 22.349 ( 4.821 2.926 -1.035) 5.734 22.423 ( -0.527 -0.429 1.000) 1.209 22.719 ( 1.656 -3.169 4.889) 6.057 22.895 ( 4.821 -2.171 -4.668) 7.053 23.062 ( 6.590 -8.867 1.483) 11.147 23.182 ( 18.543 -17.871 -1.667) 25.807 ======================= Grid point 206 (86/86) ======================= q-point: (-0.10 -0.10 0.33) 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 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -20.867 0.000 12.371) 24.259 0.568 ( -22.303 0.000 13.824) 26.239 0.953 ( -15.524 0.000 -1.983) 15.650 1.042 ( -28.305 0.000 11.737) 30.642 1.233 ( -1.263 0.000 -11.320) 11.390 1.361 ( -14.339 0.000 -20.262) 24.822 1.787 ( -1.271 0.000 2.386) 2.703 2.175 ( 0.760 -0.000 -3.474) 3.557 2.193 ( -12.089 0.000 6.827) 13.883 2.341 ( -4.425 0.000 -6.020) 7.471 2.666 ( -5.619 0.000 6.866) 8.872 2.756 ( -4.067 0.000 0.501) 4.098 2.845 ( 4.644 -0.000 3.152) 5.613 2.953 ( 6.309 -0.000 0.059) 6.309 3.145 ( 3.831 -0.000 -1.067) 3.977 3.183 ( 8.705 -0.000 -2.196) 8.978 3.341 ( 3.727 -0.000 -7.960) 8.789 3.364 ( 2.689 -0.000 0.676) 2.773 3.474 ( -3.415 0.000 1.068) 3.578 3.554 ( -2.176 0.000 -6.042) 6.422 3.682 ( 2.554 -0.000 -3.135) 4.044 3.722 ( -4.605 0.000 6.470) 7.942 3.826 ( 5.313 -0.000 -1.919) 5.649 3.954 ( -1.102 0.000 -0.718) 1.316 4.064 ( -7.682 0.000 8.113) 11.173 4.205 ( 5.218 -0.000 -8.060) 9.601 4.528 ( 2.926 -0.000 4.125) 5.057 4.547 ( 0.085 -0.000 3.240) 3.242 4.624 ( 9.518 -0.000 -5.712) 11.101 4.677 ( 5.246 -0.000 -0.814) 5.308 4.810 ( -2.515 0.000 -3.124) 4.011 4.837 ( -0.374 0.000 -0.552) 0.667 5.070 ( 8.749 -0.000 -7.047) 11.234 5.094 ( 5.208 -0.000 2.338) 5.709 5.126 ( 2.705 -0.000 -1.718) 3.204 5.209 ( 2.697 -0.000 0.388) 2.725 5.274 ( -5.019 0.000 5.687) 7.585 5.520 ( 12.976 -0.000 -1.958) 13.123 5.537 ( -6.523 0.000 -15.192) 16.533 5.609 ( 6.631 -0.000 0.558) 6.654 5.794 ( 1.786 -0.000 3.772) 4.174 5.905 ( -0.338 0.000 -1.612) 1.647 6.144 ( 3.836 -0.000 3.952) 5.508 6.252 ( 2.218 -0.000 2.150) 3.089 6.362 ( -11.694 0.000 0.405) 11.701 6.441 ( -6.219 0.000 3.326) 7.053 6.520 ( -13.188 0.000 -5.044) 14.120 6.585 ( 0.342 -0.000 -4.566) 4.579 6.977 ( -21.415 0.000 8.859) 23.176 7.246 ( -4.096 0.000 -9.471) 10.318 7.452 ( 3.569 -0.000 -8.075) 8.829 7.512 ( -13.282 0.000 -7.312) 15.162 8.136 ( 13.796 -0.000 -3.309) 14.187 8.168 ( -1.153 0.000 10.810) 10.871 8.325 ( 2.100 -0.000 -0.935) 2.299 8.387 ( -8.001 0.000 4.394) 9.128 8.605 ( 2.908 -0.000 1.950) 3.501 8.735 ( 12.403 -0.000 -2.715) 12.697 8.911 ( -8.559 0.000 9.871) 13.065 8.920 ( -3.957 0.000 -5.123) 6.473 9.398 ( -6.955 0.000 0.514) 6.974 9.515 ( 2.808 -0.000 -12.810) 13.114 10.105 ( 15.668 -0.000 -4.735) 16.368 10.346 ( 9.817 -0.000 3.459) 10.409 10.396 ( 14.826 -0.000 -2.390) 15.018 10.469 ( 4.370 -0.000 -3.045) 5.327 10.569 ( -5.716 0.000 0.740) 5.763 10.630 ( -2.925 0.000 -0.064) 2.926 10.896 ( -0.263 0.000 -5.396) 5.402 11.071 ( -4.945 0.000 2.409) 5.500 11.187 ( -6.885 0.000 -5.033) 8.528 11.336 ( 13.005 -0.000 15.710) 20.395 11.683 ( 2.371 -0.000 -2.517) 3.458 11.724 ( 4.353 -0.000 0.077) 4.354 12.139 ( -16.118 0.000 6.340) 17.320 12.233 ( -32.038 0.000 -21.699) 38.695 12.488 ( -3.798 0.000 -3.228) 4.984 12.502 ( -2.079 0.000 1.142) 2.372 13.373 ( 3.085 -0.000 -0.150) 3.089 13.397 ( 2.141 -0.000 -0.960) 2.346 16.452 ( 11.631 -0.000 -11.523) 16.372 17.339 ( 25.958 -0.000 -2.614) 26.089 17.807 ( -1.117 0.000 0.323) 1.163 17.858 ( -5.519 0.000 -2.738) 6.161 18.202 ( -31.411 0.000 -18.877) 36.647 18.251 ( -10.961 0.000 3.843) 11.615 19.333 ( 9.284 -0.000 3.611) 9.962 19.466 ( 14.092 -0.000 1.329) 14.154 19.867 ( -2.985 0.000 0.583) 3.041 19.939 ( -12.928 0.000 1.930) 13.071 20.042 ( 0.567 -0.000 2.126) 2.200 20.130 ( -0.134 0.000 -2.893) 2.896 20.423 ( -15.512 0.000 0.146) 15.513 20.809 ( -33.923 0.000 -31.202) 46.091 21.969 ( -0.420 0.000 0.503) 0.655 21.972 ( -0.687 0.000 -0.340) 0.766 22.316 ( 3.833 -0.000 8.669) 9.479 22.435 ( -0.217 0.000 -1.171) 1.190 22.813 ( 9.302 -0.000 -1.642) 9.445 22.914 ( 1.987 -0.000 0.045) 1.987 22.940 ( 15.455 -0.000 11.903) 19.508 23.015 ( 4.661 -0.000 -1.765) 4.984 =================== 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 3/30600 10.0 159.285 80.182 85.160 0.000 -15.829 -0.000 3/30600 20.0 55.627 27.495 20.966 0.000 -5.442 -0.000 3/30600 30.0 28.374 14.251 9.970 0.000 -2.813 -0.000 3/30600 40.0 17.929 9.106 6.235 0.000 -1.834 -0.000 3/30600 50.0 12.823 6.558 4.476 0.000 -1.357 -0.000 3/30600 60.0 9.909 5.089 3.484 0.000 -1.080 -0.000 3/30600 70.0 8.059 4.151 2.855 0.000 -0.900 -0.000 3/30600 80.0 6.792 3.506 2.422 0.000 -0.774 -0.000 3/30600 90.0 5.873 3.038 2.108 0.000 -0.680 -0.000 3/30600 100.0 5.178 2.684 1.869 0.000 -0.607 -0.000 3/30600 110.0 4.635 2.408 1.680 0.000 -0.549 -0.000 3/30600 120.0 4.199 2.186 1.528 0.000 -0.502 -0.000 3/30600 130.0 3.842 2.004 1.403 0.000 -0.462 -0.000 3/30600 140.0 3.543 1.852 1.298 0.000 -0.429 -0.000 3/30600 150.0 3.290 1.723 1.208 0.000 -0.400 -0.000 3/30600 160.0 3.073 1.612 1.131 0.000 -0.375 -0.000 3/30600 170.0 2.884 1.516 1.064 0.000 -0.353 -0.000 3/30600 180.0 2.719 1.432 1.005 0.000 -0.333 -0.000 3/30600 190.0 2.573 1.358 0.952 0.000 -0.316 -0.000 3/30600 200.0 2.443 1.292 0.905 0.000 -0.300 -0.000 3/30600 210.0 2.326 1.232 0.863 0.000 -0.286 -0.000 3/30600 220.0 2.220 1.178 0.825 0.000 -0.273 -0.000 3/30600 230.0 2.124 1.129 0.791 0.000 -0.262 -0.000 3/30600 240.0 2.037 1.085 0.759 0.000 -0.251 -0.000 3/30600 250.0 1.957 1.044 0.730 0.000 -0.241 -0.000 3/30600 260.0 1.883 1.006 0.703 0.000 -0.232 -0.000 3/30600 270.0 1.815 0.971 0.679 0.000 -0.224 -0.000 3/30600 280.0 1.752 0.939 0.656 0.000 -0.216 -0.000 3/30600 290.0 1.693 0.908 0.635 0.000 -0.209 -0.000 3/30600 300.0 1.638 0.880 0.615 0.000 -0.202 -0.000 3/30600 310.0 1.587 0.854 0.596 0.000 -0.196 -0.000 3/30600 320.0 1.539 0.829 0.578 0.000 -0.190 -0.000 3/30600 330.0 1.494 0.805 0.562 0.000 -0.184 -0.000 3/30600 340.0 1.451 0.783 0.546 0.000 -0.179 -0.000 3/30600 350.0 1.411 0.763 0.532 0.000 -0.174 -0.000 3/30600 360.0 1.374 0.743 0.518 0.000 -0.169 -0.000 3/30600 370.0 1.338 0.724 0.505 0.000 -0.165 -0.000 3/30600 380.0 1.304 0.706 0.492 0.000 -0.161 -0.000 3/30600 390.0 1.271 0.689 0.480 0.000 -0.157 -0.000 3/30600 400.0 1.241 0.673 0.469 0.000 -0.153 -0.000 3/30600 410.0 1.211 0.658 0.458 0.000 -0.149 -0.000 3/30600 420.0 1.184 0.643 0.448 0.000 -0.146 -0.000 3/30600 430.0 1.157 0.629 0.438 0.000 -0.142 -0.000 3/30600 440.0 1.131 0.616 0.429 0.000 -0.139 -0.000 3/30600 450.0 1.107 0.603 0.420 0.000 -0.136 -0.000 3/30600 460.0 1.084 0.591 0.411 0.000 -0.133 -0.000 3/30600 470.0 1.061 0.579 0.403 0.000 -0.131 -0.000 3/30600 480.0 1.040 0.567 0.395 0.000 -0.128 -0.000 3/30600 490.0 1.019 0.556 0.387 0.000 -0.125 -0.000 3/30600 500.0 1.000 0.546 0.380 0.000 -0.123 -0.000 3/30600 510.0 0.981 0.536 0.373 0.000 -0.121 -0.000 3/30600 520.0 0.962 0.526 0.366 0.000 -0.118 -0.000 3/30600 530.0 0.945 0.517 0.359 0.000 -0.116 -0.000 3/30600 540.0 0.928 0.507 0.353 0.000 -0.114 -0.000 3/30600 550.0 0.911 0.499 0.347 0.000 -0.112 -0.000 3/30600 560.0 0.895 0.490 0.341 0.000 -0.110 -0.000 3/30600 570.0 0.880 0.482 0.335 0.000 -0.108 -0.000 3/30600 580.0 0.865 0.474 0.329 0.000 -0.106 -0.000 3/30600 590.0 0.851 0.466 0.324 0.000 -0.105 -0.000 3/30600 600.0 0.837 0.459 0.319 0.000 -0.103 -0.000 3/30600 610.0 0.824 0.452 0.314 0.000 -0.101 -0.000 3/30600 620.0 0.811 0.445 0.309 0.000 -0.100 -0.000 3/30600 630.0 0.798 0.438 0.304 0.000 -0.098 -0.000 3/30600 640.0 0.786 0.431 0.300 0.000 -0.097 -0.000 3/30600 650.0 0.774 0.425 0.295 0.000 -0.095 -0.000 3/30600 660.0 0.763 0.419 0.291 0.000 -0.094 -0.000 3/30600 670.0 0.751 0.413 0.287 0.000 -0.092 -0.000 3/30600 680.0 0.741 0.407 0.283 0.000 -0.091 -0.000 3/30600 690.0 0.730 0.401 0.279 0.000 -0.090 -0.000 3/30600 700.0 0.720 0.396 0.275 0.000 -0.088 -0.000 3/30600 710.0 0.710 0.390 0.271 0.000 -0.087 -0.000 3/30600 720.0 0.700 0.385 0.267 0.000 -0.086 -0.000 3/30600 730.0 0.691 0.380 0.264 0.000 -0.085 -0.000 3/30600 740.0 0.682 0.375 0.260 0.000 -0.084 -0.000 3/30600 750.0 0.673 0.370 0.257 0.000 -0.083 -0.000 3/30600 760.0 0.664 0.366 0.254 0.000 -0.082 -0.000 3/30600 770.0 0.656 0.361 0.250 0.000 -0.081 -0.000 3/30600 780.0 0.647 0.356 0.247 0.000 -0.080 -0.000 3/30600 790.0 0.639 0.352 0.244 0.000 -0.079 -0.000 3/30600 800.0 0.631 0.348 0.241 0.000 -0.078 -0.000 3/30600 810.0 0.624 0.344 0.238 0.000 -0.077 -0.000 3/30600 820.0 0.616 0.340 0.236 0.000 -0.076 -0.000 3/30600 830.0 0.609 0.336 0.233 0.000 -0.075 -0.000 3/30600 840.0 0.602 0.332 0.230 0.000 -0.074 -0.000 3/30600 850.0 0.595 0.328 0.227 0.000 -0.073 -0.000 3/30600 860.0 0.588 0.324 0.225 0.000 -0.072 -0.000 3/30600 870.0 0.581 0.320 0.222 0.000 -0.071 -0.000 3/30600 880.0 0.575 0.317 0.220 0.000 -0.071 -0.000 3/30600 890.0 0.568 0.313 0.217 0.000 -0.070 -0.000 3/30600 900.0 0.562 0.310 0.215 0.000 -0.069 -0.000 3/30600 910.0 0.556 0.307 0.213 0.000 -0.068 -0.000 3/30600 920.0 0.550 0.303 0.211 0.000 -0.068 -0.000 3/30600 930.0 0.544 0.300 0.208 0.000 -0.067 -0.000 3/30600 940.0 0.539 0.297 0.206 0.000 -0.066 -0.000 3/30600 950.0 0.533 0.294 0.204 0.000 -0.065 -0.000 3/30600 960.0 0.528 0.291 0.202 0.000 -0.065 -0.000 3/30600 970.0 0.522 0.288 0.200 0.000 -0.064 -0.000 3/30600 980.0 0.517 0.285 0.198 0.000 -0.063 -0.000 3/30600 990.0 0.512 0.282 0.196 0.000 -0.063 -0.000 3/30600 1000.0 0.507 0.280 0.194 0.000 -0.062 -0.000 3/30600 Thermal conductivity related properties were written into "kappa-m10103.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:53:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|