----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 22:03:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.445091390055254 0.000000000000000 0.000000000000000 b 0.000000000000000 6.821626820000000 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 *3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 *5 Na 0.10990659471029 0.25890416313214 0.11086424722915 22.990 6 Na 0.89009340528971 0.75890416313214 0.38913575277085 22.990 7 Na 0.89009340528971 0.74109583686786 0.88913575277085 22.990 8 Na 0.10990659471029 0.24109583686786 0.61086424722915 22.990 *9 P 0.83295106561072 0.24873077716421 0.30855214296602 30.974 10 P 0.16704893438928 0.74873077716421 0.19144785703398 30.974 11 P 0.16704893438928 0.75126922283579 0.69144785703398 30.974 12 P 0.83295106561072 0.25126922283579 0.80855214296602 30.974 *13 H 0.47705450086805 0.99677373000888 0.24260870397362 1.008 14 H 0.52294549913195 0.49677373000888 0.25739129602638 1.008 15 H 0.52294549913195 0.00322626999112 0.75739129602638 1.008 16 H 0.47705450086805 0.50322626999112 0.74260870397362 1.008 *17 O 0.14113614283019 0.25326993819818 0.39874320581189 15.999 18 O 0.85886385716981 0.75326993819818 0.10125679418811 15.999 19 O 0.85886385716981 0.74673006180182 0.60125679418811 15.999 20 O 0.14113614283019 0.24673006180182 0.89874320581189 15.999 *21 O 0.74075934467814 0.24980603555989 0.15518312789978 15.999 22 O 0.25924065532186 0.74980603555989 0.34481687210022 15.999 23 O 0.25924065532186 0.75019396444011 0.84481687210022 15.999 24 O 0.74075934467814 0.25019396444011 0.65518312789978 15.999 *25 O 0.70250944820318 0.07037930647512 0.34832789349404 15.999 26 O 0.29749055179682 0.57037930647512 0.15167210650596 15.999 27 O 0.29749055179682 0.92962069352488 0.65167210650596 15.999 28 O 0.70250944820318 0.42962069352488 0.84832789349404 15.999 *29 O 0.70692975597486 0.05896858571692 0.84448499843593 15.999 30 O 0.29307024402514 0.55896858571692 0.65551500156407 15.999 31 O 0.29307024402514 0.94103141428308 0.15551500156407 15.999 32 O 0.70692975597486 0.44103141428308 0.34448499843593 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.445091390055254 0.000000000000000 0.000000000000000 b 0.000000000000000 6.821626820000000 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): *1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 > 1 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 > 2 *3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 > 3 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 > 4 *5 Na 0.10990659471029 0.25890416313214 0.11086424722915 22.990 > 5 6 Na 0.89009340528971 0.75890416313214 0.38913575277085 22.990 > 6 7 Na 0.89009340528971 0.74109583686786 0.88913575277085 22.990 > 7 8 Na 0.10990659471029 0.24109583686786 0.61086424722915 22.990 > 8 *9 P 0.83295106561072 0.24873077716421 0.30855214296602 30.974 > 9 10 P 0.16704893438928 0.74873077716421 0.19144785703398 30.974 > 10 11 P 0.16704893438928 0.75126922283579 0.69144785703398 30.974 > 11 12 P 0.83295106561072 0.25126922283579 0.80855214296602 30.974 > 12 *13 H 0.47705450086805 0.99677373000888 0.24260870397362 1.008 > 13 14 H 0.52294549913195 0.49677373000888 0.25739129602638 1.008 > 14 15 H 0.52294549913195 0.00322626999112 0.75739129602638 1.008 > 15 16 H 0.47705450086805 0.50322626999112 0.74260870397362 1.008 > 16 *17 O 0.14113614283019 0.25326993819818 0.39874320581189 15.999 > 17 18 O 0.85886385716981 0.75326993819818 0.10125679418811 15.999 > 18 19 O 0.85886385716981 0.74673006180182 0.60125679418811 15.999 > 19 20 O 0.14113614283019 0.24673006180182 0.89874320581189 15.999 > 20 *21 O 0.74075934467814 0.24980603555989 0.15518312789978 15.999 > 21 22 O 0.25924065532186 0.74980603555989 0.34481687210022 15.999 > 22 23 O 0.25924065532186 0.75019396444011 0.84481687210022 15.999 > 23 24 O 0.74075934467814 0.25019396444011 0.65518312789978 15.999 > 24 *25 O 0.70250944820318 0.07037930647512 0.34832789349404 15.999 > 25 26 O 0.29749055179682 0.57037930647512 0.15167210650596 15.999 > 26 27 O 0.29749055179682 0.92962069352488 0.65167210650596 15.999 > 27 28 O 0.70250944820318 0.42962069352488 0.84832789349404 15.999 > 28 *29 O 0.70692975597486 0.05896858571692 0.84448499843593 15.999 > 29 30 O 0.29307024402514 0.55896858571692 0.65551500156407 15.999 > 30 31 O 0.29307024402514 0.94103141428308 0.15551500156407 15.999 > 31 32 O 0.70692975597486 0.44103141428308 0.34448499843593 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.890182780110509 0.000000000000000 0.000000000000000 b 0.000000000000000 13.643253639999999 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): *1 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 3 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 2 6 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 2 7 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 2 8 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 2 *9 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 3 10 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 3 11 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 3 12 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 3 13 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 4 14 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 4 15 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 4 16 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 4 *17 Na 0.05495329735514 0.12945208156607 0.11086424722915 22.990 > 5 18 Na 0.55495329735514 0.12945208156607 0.11086424722915 22.990 > 5 19 Na 0.05495329735514 0.62945208156607 0.11086424722915 22.990 > 5 20 Na 0.55495329735514 0.62945208156607 0.11086424722915 22.990 > 5 21 Na 0.44504670264486 0.37945208156607 0.38913575277085 22.990 > 6 22 Na 0.94504670264486 0.37945208156607 0.38913575277085 22.990 > 6 23 Na 0.44504670264486 0.87945208156607 0.38913575277085 22.990 > 6 24 Na 0.94504670264486 0.87945208156607 0.38913575277085 22.990 > 6 25 Na 0.44504670264486 0.37054791843393 0.88913575277085 22.990 > 7 26 Na 0.94504670264486 0.37054791843393 0.88913575277085 22.990 > 7 27 Na 0.44504670264486 0.87054791843393 0.88913575277085 22.990 > 7 28 Na 0.94504670264486 0.87054791843393 0.88913575277085 22.990 > 7 29 Na 0.05495329735514 0.12054791843393 0.61086424722915 22.990 > 8 30 Na 0.55495329735514 0.12054791843393 0.61086424722915 22.990 > 8 31 Na 0.05495329735514 0.62054791843393 0.61086424722915 22.990 > 8 32 Na 0.55495329735514 0.62054791843393 0.61086424722915 22.990 > 8 *33 P 0.41647553280536 0.12436538858211 0.30855214296602 30.974 > 9 34 P 0.91647553280536 0.12436538858211 0.30855214296602 30.974 > 9 35 P 0.41647553280536 0.62436538858211 0.30855214296602 30.974 > 9 36 P 0.91647553280536 0.62436538858211 0.30855214296602 30.974 > 9 37 P 0.08352446719464 0.37436538858211 0.19144785703398 30.974 > 10 38 P 0.58352446719464 0.37436538858211 0.19144785703398 30.974 > 10 39 P 0.08352446719464 0.87436538858211 0.19144785703398 30.974 > 10 40 P 0.58352446719464 0.87436538858211 0.19144785703398 30.974 > 10 41 P 0.08352446719464 0.37563461141789 0.69144785703398 30.974 > 11 42 P 0.58352446719464 0.37563461141789 0.69144785703398 30.974 > 11 43 P 0.08352446719464 0.87563461141789 0.69144785703398 30.974 > 11 44 P 0.58352446719464 0.87563461141789 0.69144785703398 30.974 > 11 45 P 0.41647553280536 0.12563461141789 0.80855214296602 30.974 > 12 46 P 0.91647553280536 0.12563461141789 0.80855214296602 30.974 > 12 47 P 0.41647553280536 0.62563461141789 0.80855214296602 30.974 > 12 48 P 0.91647553280536 0.62563461141789 0.80855214296602 30.974 > 12 *49 H 0.23852725043403 0.49838686500444 0.24260870397362 1.008 > 13 50 H 0.73852725043403 0.49838686500444 0.24260870397362 1.008 > 13 51 H 0.23852725043403 0.99838686500444 0.24260870397362 1.008 > 13 52 H 0.73852725043403 0.99838686500444 0.24260870397362 1.008 > 13 53 H 0.26147274956597 0.24838686500444 0.25739129602638 1.008 > 14 54 H 0.76147274956597 0.24838686500444 0.25739129602638 1.008 > 14 55 H 0.26147274956597 0.74838686500444 0.25739129602638 1.008 > 14 56 H 0.76147274956597 0.74838686500444 0.25739129602638 1.008 > 14 57 H 0.26147274956597 0.00161313499556 0.75739129602638 1.008 > 15 58 H 0.76147274956597 0.00161313499556 0.75739129602638 1.008 > 15 59 H 0.26147274956597 0.50161313499556 0.75739129602638 1.008 > 15 60 H 0.76147274956597 0.50161313499556 0.75739129602638 1.008 > 15 61 H 0.23852725043403 0.25161313499556 0.74260870397362 1.008 > 16 62 H 0.73852725043403 0.25161313499556 0.74260870397362 1.008 > 16 63 H 0.23852725043403 0.75161313499556 0.74260870397362 1.008 > 16 64 H 0.73852725043403 0.75161313499556 0.74260870397362 1.008 > 16 *65 O 0.07056807141509 0.12663496909909 0.39874320581189 15.999 > 17 66 O 0.57056807141509 0.12663496909909 0.39874320581189 15.999 > 17 67 O 0.07056807141509 0.62663496909909 0.39874320581189 15.999 > 17 68 O 0.57056807141509 0.62663496909909 0.39874320581189 15.999 > 17 69 O 0.42943192858491 0.37663496909909 0.10125679418811 15.999 > 18 70 O 0.92943192858491 0.37663496909909 0.10125679418811 15.999 > 18 71 O 0.42943192858491 0.87663496909909 0.10125679418811 15.999 > 18 72 O 0.92943192858491 0.87663496909909 0.10125679418811 15.999 > 18 73 O 0.42943192858491 0.37336503090091 0.60125679418811 15.999 > 19 74 O 0.92943192858491 0.37336503090091 0.60125679418811 15.999 > 19 75 O 0.42943192858491 0.87336503090091 0.60125679418811 15.999 > 19 76 O 0.92943192858491 0.87336503090091 0.60125679418811 15.999 > 19 77 O 0.07056807141509 0.12336503090091 0.89874320581189 15.999 > 20 78 O 0.57056807141509 0.12336503090091 0.89874320581189 15.999 > 20 79 O 0.07056807141509 0.62336503090091 0.89874320581189 15.999 > 20 80 O 0.57056807141509 0.62336503090091 0.89874320581189 15.999 > 20 *81 O 0.37037967233907 0.12490301777995 0.15518312789978 15.999 > 21 82 O 0.87037967233907 0.12490301777995 0.15518312789978 15.999 > 21 83 O 0.37037967233907 0.62490301777995 0.15518312789978 15.999 > 21 84 O 0.87037967233907 0.62490301777995 0.15518312789978 15.999 > 21 85 O 0.12962032766093 0.37490301777995 0.34481687210022 15.999 > 22 86 O 0.62962032766093 0.37490301777995 0.34481687210022 15.999 > 22 87 O 0.12962032766093 0.87490301777995 0.34481687210022 15.999 > 22 88 O 0.62962032766093 0.87490301777995 0.34481687210022 15.999 > 22 89 O 0.12962032766093 0.37509698222005 0.84481687210022 15.999 > 23 90 O 0.62962032766093 0.37509698222005 0.84481687210022 15.999 > 23 91 O 0.12962032766093 0.87509698222005 0.84481687210022 15.999 > 23 92 O 0.62962032766093 0.87509698222005 0.84481687210022 15.999 > 23 93 O 0.37037967233907 0.12509698222005 0.65518312789978 15.999 > 24 94 O 0.87037967233907 0.12509698222005 0.65518312789978 15.999 > 24 95 O 0.37037967233907 0.62509698222005 0.65518312789978 15.999 > 24 96 O 0.87037967233907 0.62509698222005 0.65518312789978 15.999 > 24 *97 O 0.35125472410159 0.03518965323756 0.34832789349404 15.999 > 25 98 O 0.85125472410159 0.03518965323756 0.34832789349404 15.999 > 25 99 O 0.35125472410159 0.53518965323756 0.34832789349404 15.999 > 25 100 O 0.85125472410159 0.53518965323756 0.34832789349404 15.999 > 25 101 O 0.14874527589841 0.28518965323756 0.15167210650596 15.999 > 26 102 O 0.64874527589841 0.28518965323756 0.15167210650596 15.999 > 26 103 O 0.14874527589841 0.78518965323756 0.15167210650596 15.999 > 26 104 O 0.64874527589841 0.78518965323756 0.15167210650596 15.999 > 26 105 O 0.14874527589841 0.46481034676244 0.65167210650596 15.999 > 27 106 O 0.64874527589841 0.46481034676244 0.65167210650596 15.999 > 27 107 O 0.14874527589841 0.96481034676244 0.65167210650596 15.999 > 27 108 O 0.64874527589841 0.96481034676244 0.65167210650596 15.999 > 27 109 O 0.35125472410159 0.21481034676244 0.84832789349404 15.999 > 28 110 O 0.85125472410159 0.21481034676244 0.84832789349404 15.999 > 28 111 O 0.35125472410159 0.71481034676244 0.84832789349404 15.999 > 28 112 O 0.85125472410159 0.71481034676244 0.84832789349404 15.999 > 28 *113 O 0.35346487798743 0.02948429285846 0.84448499843593 15.999 > 29 114 O 0.85346487798743 0.02948429285846 0.84448499843593 15.999 > 29 115 O 0.35346487798743 0.52948429285846 0.84448499843593 15.999 > 29 116 O 0.85346487798743 0.52948429285846 0.84448499843593 15.999 > 29 117 O 0.14653512201257 0.27948429285846 0.65551500156407 15.999 > 30 118 O 0.64653512201257 0.27948429285846 0.65551500156407 15.999 > 30 119 O 0.14653512201257 0.77948429285846 0.65551500156407 15.999 > 30 120 O 0.64653512201257 0.77948429285846 0.65551500156407 15.999 > 30 121 O 0.14653512201257 0.47051570714154 0.15551500156407 15.999 > 31 122 O 0.64653512201257 0.47051570714154 0.15551500156407 15.999 > 31 123 O 0.14653512201257 0.97051570714154 0.15551500156407 15.999 > 31 124 O 0.64653512201257 0.97051570714154 0.15551500156407 15.999 > 31 125 O 0.35346487798743 0.22051570714154 0.34448499843593 15.999 > 32 126 O 0.85346487798743 0.22051570714154 0.34448499843593 15.999 > 32 127 O 0.35346487798743 0.72051570714154 0.34448499843593 15.999 > 32 128 O 0.85346487798743 0.72051570714154 0.34448499843593 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3896793 0.0000000 0.0916285 0.0000000 2.3749090 0.0000000 0.0916255 0.0000000 2.3769407 -------------------------- Born effective charges -------------------------- 1 Na 1.1135555 0.1484359 0.0045253 -0.0155705 1.0433004 0.0168831 0.0346546 -0.0146976 1.2191900 2 Na 1.1135555 -0.1484359 0.0045253 0.0155705 1.0433004 -0.0168831 0.0346546 0.0146976 1.2191900 3 Na 1.1186619 -0.1423740 -0.0077793 0.0252343 1.0365071 -0.0192971 0.0252524 0.0126984 1.2164867 4 Na 1.1186619 0.1423740 -0.0077793 -0.0252343 1.0365071 0.0192971 0.0252524 -0.0126984 1.2164867 5 Na 1.0308211 0.0010210 0.0051453 -0.0007930 1.0887937 -0.0071186 -0.0272905 -0.0042872 1.1374270 6 Na 1.0308211 -0.0010210 0.0051453 0.0007930 1.0887937 0.0071186 -0.0272905 0.0042872 1.1374270 7 Na 1.0308211 0.0010210 0.0051453 -0.0007930 1.0887937 -0.0071186 -0.0272905 -0.0042872 1.1374270 8 Na 1.0308211 -0.0010210 0.0051453 0.0007930 1.0887937 0.0071186 -0.0272905 0.0042872 1.1374270 9 P 3.0103401 0.0236079 -0.0676805 0.0419338 3.2666035 -0.0601627 0.2087338 -0.0470150 2.6678349 10 P 3.0103401 -0.0236079 -0.0676805 -0.0419338 3.2666035 0.0601627 0.2087338 0.0470150 2.6678349 11 P 3.0103401 0.0236079 -0.0676805 0.0419338 3.2666035 -0.0601627 0.2087338 -0.0470150 2.6678349 12 P 3.0103401 -0.0236079 -0.0676805 -0.0419338 3.2666035 0.0601627 0.2087338 0.0470150 2.6678349 13 H 0.9789618 0.5271062 0.9294102 0.6962929 0.7730551 0.9413909 0.5804165 0.4697429 1.0081151 14 H 0.9789618 -0.5271062 0.9294102 -0.6962929 0.7730551 -0.9413909 0.5804165 -0.4697429 1.0081151 15 H 0.9789618 0.5271062 0.9294102 0.6962929 0.7730551 0.9413909 0.5804165 0.4697429 1.0081151 16 H 0.9789618 -0.5271062 0.9294102 -0.6962929 0.7730551 -0.9413909 0.5804165 -0.4697429 1.0081151 17 O -1.7528617 -0.0409639 -0.4658600 -0.0393398 -1.1601922 0.0065933 -0.4896946 -0.0090711 -1.4546122 18 O -1.7528617 0.0409639 -0.4658600 0.0393398 -1.1601922 -0.0065933 -0.4896946 0.0090711 -1.4546122 19 O -1.7528617 -0.0409639 -0.4658600 -0.0393398 -1.1601922 0.0065933 -0.4896946 -0.0090711 -1.4546122 20 O -1.7528617 0.0409639 -0.4658600 0.0393398 -1.1601922 -0.0065933 -0.4896946 0.0090711 -1.4546122 21 O -1.1864001 -0.0050359 0.2330572 -0.0091507 -1.1531773 0.0020596 0.0941583 0.0250794 -1.9233301 22 O -1.1864001 0.0050359 0.2330572 0.0091507 -1.1531773 -0.0020596 0.0941583 -0.0250794 -1.9233301 23 O -1.1864001 -0.0050359 0.2330572 -0.0091507 -1.1531773 0.0020596 0.0941583 0.0250794 -1.9233301 24 O -1.1864001 0.0050359 0.2330572 0.0091507 -1.1531773 -0.0020596 0.0941583 -0.0250794 -1.9233301 25 O -1.6322539 -0.6573482 -0.2611491 -0.8152583 -1.9142276 -0.1676452 -0.1678048 -0.0374623 -1.3632641 26 O -1.6322539 0.6573482 -0.2611491 0.8152583 -1.9142276 0.1676452 -0.1678048 0.0374623 -1.3632641 27 O -1.6322539 -0.6573482 -0.2611491 -0.8152583 -1.9142276 -0.1676452 -0.1678048 -0.0374623 -1.3632641 28 O -1.6322539 0.6573482 -0.2611491 0.8152583 -1.9142276 0.1676452 -0.1678048 0.0374623 -1.3632641 29 O -1.5647161 -0.6917380 -0.3712960 -0.8531770 -1.9407590 -0.3037064 -0.2284723 -0.1066763 -1.2900088 30 O -1.5647161 0.6917380 -0.3712960 0.8531770 -1.9407590 0.3037064 -0.2284723 0.1066763 -1.2900088 31 O -1.5647161 -0.6917380 -0.3712960 -0.8531770 -1.9407590 -0.3037064 -0.2284723 -0.1066763 -1.2900088 32 O -1.5647161 0.6917380 -0.3712960 0.8531770 -1.9407590 0.3037064 -0.2284723 0.1066763 -1.2900088 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4788 Number of blocks in projector: 4788 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: 1032 Use submatrix version of eigh solver. (1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 264 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 514 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1032 Use submatrix version of eigh solver. (1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 264 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 514 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1032 Use submatrix version of eigh solver. (1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 239 eigenvectors found. (2) Block: 532 / 532 (2) 273 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 521 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 243 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 555 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 243 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 555 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 243 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 555 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4788, 4708), data: False |-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 14), data: (564, 23) @ (23, 14) |-- (64, 57), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 14), data: (564, 23) @ (23, 14) |-- (64, 57), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 14), data: (564, 23) @ (23, 14) |-- (64, 57), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (1032, 1015), data: False |-- (1032, 11), data: (1032, 28) @ (28, 11) |-- (532, 521), data: False |-- (532, 9), data: (532, 20) @ (20, 9) |-- (282, 273), data: True |-- (250, 239), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (1032, 1014), data: False |-- (1032, 18), data: (1032, 36) @ (36, 18) |-- (532, 514), data: False |-- (532, 12), data: (532, 30) @ (30, 12) |-- (282, 264), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (1032, 1014), data: False |-- (1032, 18), data: (1032, 36) @ (36, 18) |-- (532, 514), data: False |-- (532, 12), data: (532, 30) @ (30, 12) |-- (282, 264), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.376 Solver_block: 200 / 960 - Time: 1.304 Solver_block: 300 / 960 - Time: 1.283 Solver_block: 400 / 960 - Time: 1.309 Solver_block: 500 / 960 - Time: 1.289 Solver_block: 600 / 960 - Time: 1.303 Solver_block: 700 / 960 - Time: 1.282 Solver_block: 800 / 960 - Time: 1.321 Solver_block: 900 / 960 - Time: 1.308 Solver_block: 960 / 960 - Time: 0.836 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.940 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4788 Number of blocks in projector: 4788 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: 1032 Use submatrix version of eigh solver. (1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 264 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 514 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1032 Use submatrix version of eigh solver. (1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 238 eigenvectors found. (2) Block: 532 / 532 (2) 264 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 514 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1032 Use submatrix version of eigh solver. (1) Block: 500 / 1032 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1032 / 1032 (2) Block: 250 / 532 (2) 239 eigenvectors found. (2) Block: 532 / 532 (2) 273 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 521 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 243 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 555 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 243 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 555 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 564 Use submatrix version of eigh solver. (1) Block: 564 / 564 (2) Block: 250 / 564 (2) 241 eigenvectors found. (2) Block: 500 / 564 (2) 243 eigenvectors found. (2) Block: 564 / 564 (2) 57 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 555 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4788, 4708), data: False |-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 14), data: (564, 23) @ (23, 14) |-- (64, 57), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 14), data: (564, 23) @ (23, 14) |-- (64, 57), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (564, 555), data: False |-- (564, 555), data: False |-- (564, 14), data: (564, 23) @ (23, 14) |-- (64, 57), data: True |-- (250, 243), data: True |-- (250, 241), data: True |-- (1032, 1015), data: False |-- (1032, 11), data: (1032, 28) @ (28, 11) |-- (532, 521), data: False |-- (532, 9), data: (532, 20) @ (20, 9) |-- (282, 273), data: True |-- (250, 239), data: True |-- (500, 483), data: False |-- (500, 13), data: (500, 30) @ (30, 13) |-- (250, 237), data: True |-- (250, 233), data: True |-- (1032, 1014), data: False |-- (1032, 18), data: (1032, 36) @ (36, 18) |-- (532, 514), data: False |-- (532, 12), data: (532, 30) @ (30, 12) |-- (282, 264), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True |-- (1032, 1014), data: False |-- (1032, 18), data: (1032, 36) @ (36, 18) |-- (532, 514), data: False |-- (532, 12), data: (532, 30) @ (30, 12) |-- (282, 264), data: True |-- (250, 238), data: True |-- (500, 482), data: False |-- (500, 12), data: (500, 30) @ (30, 12) |-- (250, 238), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 22:04:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:04:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.445091390055254 0.000000000000000 0.000000000000000 b 0.000000000000000 6.821626820000000 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 5 Na 0.10990659471029 0.25890416313214 0.11086424722915 22.990 6 Na 0.89009340528971 0.75890416313214 0.38913575277085 22.990 7 Na 0.89009340528971 0.74109583686786 0.88913575277085 22.990 8 Na 0.10990659471029 0.24109583686786 0.61086424722915 22.990 9 P 0.83295106561072 0.24873077716421 0.30855214296602 30.974 10 P 0.16704893438928 0.74873077716421 0.19144785703398 30.974 11 P 0.16704893438928 0.75126922283579 0.69144785703398 30.974 12 P 0.83295106561072 0.25126922283579 0.80855214296602 30.974 13 H 0.47705450086805 0.99677373000888 0.24260870397362 1.008 14 H 0.52294549913195 0.49677373000888 0.25739129602638 1.008 15 H 0.52294549913195 0.00322626999112 0.75739129602638 1.008 16 H 0.47705450086805 0.50322626999112 0.74260870397362 1.008 17 O 0.14113614283019 0.25326993819818 0.39874320581189 15.999 18 O 0.85886385716981 0.75326993819818 0.10125679418811 15.999 19 O 0.85886385716981 0.74673006180182 0.60125679418811 15.999 20 O 0.14113614283019 0.24673006180182 0.89874320581189 15.999 21 O 0.74075934467814 0.24980603555989 0.15518312789978 15.999 22 O 0.25924065532186 0.74980603555989 0.34481687210022 15.999 23 O 0.25924065532186 0.75019396444011 0.84481687210022 15.999 24 O 0.74075934467814 0.25019396444011 0.65518312789978 15.999 25 O 0.70250944820318 0.07037930647512 0.34832789349404 15.999 26 O 0.29749055179682 0.57037930647512 0.15167210650596 15.999 27 O 0.29749055179682 0.92962069352488 0.65167210650596 15.999 28 O 0.70250944820318 0.42962069352488 0.84832789349404 15.999 29 O 0.70692975597486 0.05896858571692 0.84448499843593 15.999 30 O 0.29307024402514 0.55896858571692 0.65551500156407 15.999 31 O 0.29307024402514 0.94103141428308 0.15551500156407 15.999 32 O 0.70692975597486 0.44103141428308 0.34448499843593 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.890182780110509 0.000000000000000 0.000000000000000 b 0.000000000000000 13.643253639999999 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): 1 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 3 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 5 7 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 5 8 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 5 9 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 9 10 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 9 11 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 9 12 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 9 13 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 13 14 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 13 15 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 13 16 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 13 17 Na 0.05495329735514 0.12945208156607 0.11086424722915 22.990 > 17 18 Na 0.55495329735514 0.12945208156607 0.11086424722915 22.990 > 17 19 Na 0.05495329735514 0.62945208156607 0.11086424722915 22.990 > 17 20 Na 0.55495329735514 0.62945208156607 0.11086424722915 22.990 > 17 21 Na 0.44504670264486 0.37945208156607 0.38913575277085 22.990 > 21 22 Na 0.94504670264486 0.37945208156607 0.38913575277085 22.990 > 21 23 Na 0.44504670264486 0.87945208156607 0.38913575277085 22.990 > 21 24 Na 0.94504670264486 0.87945208156607 0.38913575277085 22.990 > 21 25 Na 0.44504670264486 0.37054791843393 0.88913575277085 22.990 > 25 26 Na 0.94504670264486 0.37054791843393 0.88913575277085 22.990 > 25 27 Na 0.44504670264486 0.87054791843393 0.88913575277085 22.990 > 25 28 Na 0.94504670264486 0.87054791843393 0.88913575277085 22.990 > 25 29 Na 0.05495329735514 0.12054791843393 0.61086424722915 22.990 > 29 30 Na 0.55495329735514 0.12054791843393 0.61086424722915 22.990 > 29 31 Na 0.05495329735514 0.62054791843393 0.61086424722915 22.990 > 29 32 Na 0.55495329735514 0.62054791843393 0.61086424722915 22.990 > 29 33 P 0.41647553280536 0.12436538858211 0.30855214296602 30.974 > 33 34 P 0.91647553280536 0.12436538858211 0.30855214296602 30.974 > 33 35 P 0.41647553280536 0.62436538858211 0.30855214296602 30.974 > 33 36 P 0.91647553280536 0.62436538858211 0.30855214296602 30.974 > 33 37 P 0.08352446719464 0.37436538858211 0.19144785703398 30.974 > 37 38 P 0.58352446719464 0.37436538858211 0.19144785703398 30.974 > 37 39 P 0.08352446719464 0.87436538858211 0.19144785703398 30.974 > 37 40 P 0.58352446719464 0.87436538858211 0.19144785703398 30.974 > 37 41 P 0.08352446719464 0.37563461141789 0.69144785703398 30.974 > 41 42 P 0.58352446719464 0.37563461141789 0.69144785703398 30.974 > 41 43 P 0.08352446719464 0.87563461141789 0.69144785703398 30.974 > 41 44 P 0.58352446719464 0.87563461141789 0.69144785703398 30.974 > 41 45 P 0.41647553280536 0.12563461141789 0.80855214296602 30.974 > 45 46 P 0.91647553280536 0.12563461141789 0.80855214296602 30.974 > 45 47 P 0.41647553280536 0.62563461141789 0.80855214296602 30.974 > 45 48 P 0.91647553280536 0.62563461141789 0.80855214296602 30.974 > 45 49 H 0.23852725043403 0.49838686500444 0.24260870397362 1.008 > 49 50 H 0.73852725043403 0.49838686500444 0.24260870397362 1.008 > 49 51 H 0.23852725043403 0.99838686500444 0.24260870397362 1.008 > 49 52 H 0.73852725043403 0.99838686500444 0.24260870397362 1.008 > 49 53 H 0.26147274956597 0.24838686500444 0.25739129602638 1.008 > 53 54 H 0.76147274956597 0.24838686500444 0.25739129602638 1.008 > 53 55 H 0.26147274956597 0.74838686500444 0.25739129602638 1.008 > 53 56 H 0.76147274956597 0.74838686500444 0.25739129602638 1.008 > 53 57 H 0.26147274956597 0.00161313499556 0.75739129602638 1.008 > 57 58 H 0.76147274956597 0.00161313499556 0.75739129602638 1.008 > 57 59 H 0.26147274956597 0.50161313499556 0.75739129602638 1.008 > 57 60 H 0.76147274956597 0.50161313499556 0.75739129602638 1.008 > 57 61 H 0.23852725043403 0.25161313499556 0.74260870397362 1.008 > 61 62 H 0.73852725043403 0.25161313499556 0.74260870397362 1.008 > 61 63 H 0.23852725043403 0.75161313499556 0.74260870397362 1.008 > 61 64 H 0.73852725043403 0.75161313499556 0.74260870397362 1.008 > 61 65 O 0.07056807141509 0.12663496909909 0.39874320581189 15.999 > 65 66 O 0.57056807141509 0.12663496909909 0.39874320581189 15.999 > 65 67 O 0.07056807141509 0.62663496909909 0.39874320581189 15.999 > 65 68 O 0.57056807141509 0.62663496909909 0.39874320581189 15.999 > 65 69 O 0.42943192858491 0.37663496909909 0.10125679418811 15.999 > 69 70 O 0.92943192858491 0.37663496909909 0.10125679418811 15.999 > 69 71 O 0.42943192858491 0.87663496909909 0.10125679418811 15.999 > 69 72 O 0.92943192858491 0.87663496909909 0.10125679418811 15.999 > 69 73 O 0.42943192858491 0.37336503090091 0.60125679418811 15.999 > 73 74 O 0.92943192858491 0.37336503090091 0.60125679418811 15.999 > 73 75 O 0.42943192858491 0.87336503090091 0.60125679418811 15.999 > 73 76 O 0.92943192858491 0.87336503090091 0.60125679418811 15.999 > 73 77 O 0.07056807141509 0.12336503090091 0.89874320581189 15.999 > 77 78 O 0.57056807141509 0.12336503090091 0.89874320581189 15.999 > 77 79 O 0.07056807141509 0.62336503090091 0.89874320581189 15.999 > 77 80 O 0.57056807141509 0.62336503090091 0.89874320581189 15.999 > 77 81 O 0.37037967233907 0.12490301777995 0.15518312789978 15.999 > 81 82 O 0.87037967233907 0.12490301777995 0.15518312789978 15.999 > 81 83 O 0.37037967233907 0.62490301777995 0.15518312789978 15.999 > 81 84 O 0.87037967233907 0.62490301777995 0.15518312789978 15.999 > 81 85 O 0.12962032766093 0.37490301777995 0.34481687210022 15.999 > 85 86 O 0.62962032766093 0.37490301777995 0.34481687210022 15.999 > 85 87 O 0.12962032766093 0.87490301777995 0.34481687210022 15.999 > 85 88 O 0.62962032766093 0.87490301777995 0.34481687210022 15.999 > 85 89 O 0.12962032766093 0.37509698222005 0.84481687210022 15.999 > 89 90 O 0.62962032766093 0.37509698222005 0.84481687210022 15.999 > 89 91 O 0.12962032766093 0.87509698222005 0.84481687210022 15.999 > 89 92 O 0.62962032766093 0.87509698222005 0.84481687210022 15.999 > 89 93 O 0.37037967233907 0.12509698222005 0.65518312789978 15.999 > 93 94 O 0.87037967233907 0.12509698222005 0.65518312789978 15.999 > 93 95 O 0.37037967233907 0.62509698222005 0.65518312789978 15.999 > 93 96 O 0.87037967233907 0.62509698222005 0.65518312789978 15.999 > 93 97 O 0.35125472410159 0.03518965323756 0.34832789349404 15.999 > 97 98 O 0.85125472410159 0.03518965323756 0.34832789349404 15.999 > 97 99 O 0.35125472410159 0.53518965323756 0.34832789349404 15.999 > 97 100 O 0.85125472410159 0.53518965323756 0.34832789349404 15.999 > 97 101 O 0.14874527589841 0.28518965323756 0.15167210650596 15.999 > 101 102 O 0.64874527589841 0.28518965323756 0.15167210650596 15.999 > 101 103 O 0.14874527589841 0.78518965323756 0.15167210650596 15.999 > 101 104 O 0.64874527589841 0.78518965323756 0.15167210650596 15.999 > 101 105 O 0.14874527589841 0.46481034676244 0.65167210650596 15.999 > 105 106 O 0.64874527589841 0.46481034676244 0.65167210650596 15.999 > 105 107 O 0.14874527589841 0.96481034676244 0.65167210650596 15.999 > 105 108 O 0.64874527589841 0.96481034676244 0.65167210650596 15.999 > 105 109 O 0.35125472410159 0.21481034676244 0.84832789349404 15.999 > 109 110 O 0.85125472410159 0.21481034676244 0.84832789349404 15.999 > 109 111 O 0.35125472410159 0.71481034676244 0.84832789349404 15.999 > 109 112 O 0.85125472410159 0.71481034676244 0.84832789349404 15.999 > 109 113 O 0.35346487798743 0.02948429285846 0.84448499843593 15.999 > 113 114 O 0.85346487798743 0.02948429285846 0.84448499843593 15.999 > 113 115 O 0.35346487798743 0.52948429285846 0.84448499843593 15.999 > 113 116 O 0.85346487798743 0.52948429285846 0.84448499843593 15.999 > 113 117 O 0.14653512201257 0.27948429285846 0.65551500156407 15.999 > 117 118 O 0.64653512201257 0.27948429285846 0.65551500156407 15.999 > 117 119 O 0.14653512201257 0.77948429285846 0.65551500156407 15.999 > 117 120 O 0.64653512201257 0.77948429285846 0.65551500156407 15.999 > 117 121 O 0.14653512201257 0.47051570714154 0.15551500156407 15.999 > 121 122 O 0.64653512201257 0.47051570714154 0.15551500156407 15.999 > 121 123 O 0.14653512201257 0.97051570714154 0.15551500156407 15.999 > 121 124 O 0.64653512201257 0.97051570714154 0.15551500156407 15.999 > 121 125 O 0.35346487798743 0.22051570714154 0.34448499843593 15.999 > 125 126 O 0.85346487798743 0.22051570714154 0.34448499843593 15.999 > 125 127 O 0.35346487798743 0.72051570714154 0.34448499843593 15.999 > 125 128 O 0.85346487798743 0.72051570714154 0.34448499843593 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3896793 0.0000000 0.0916285 0.0000000 2.3749090 0.0000000 0.0916255 0.0000000 2.3769407 -------------------------- Born effective charges -------------------------- 1 Na 1.1135555 0.1484359 0.0045253 -0.0155705 1.0433004 0.0168831 0.0346546 -0.0146976 1.2191900 2 Na 1.1135555 -0.1484359 0.0045253 0.0155705 1.0433004 -0.0168831 0.0346546 0.0146976 1.2191900 3 Na 1.1186619 -0.1423740 -0.0077793 0.0252343 1.0365071 -0.0192971 0.0252524 0.0126984 1.2164867 4 Na 1.1186619 0.1423740 -0.0077793 -0.0252343 1.0365071 0.0192971 0.0252524 -0.0126984 1.2164867 5 Na 1.0308211 0.0010210 0.0051453 -0.0007930 1.0887937 -0.0071186 -0.0272905 -0.0042872 1.1374270 6 Na 1.0308211 -0.0010210 0.0051453 0.0007930 1.0887937 0.0071186 -0.0272905 0.0042872 1.1374270 7 Na 1.0308211 0.0010210 0.0051453 -0.0007930 1.0887937 -0.0071186 -0.0272905 -0.0042872 1.1374270 8 Na 1.0308211 -0.0010210 0.0051453 0.0007930 1.0887937 0.0071186 -0.0272905 0.0042872 1.1374270 9 P 3.0103401 0.0236079 -0.0676805 0.0419338 3.2666035 -0.0601627 0.2087338 -0.0470150 2.6678349 10 P 3.0103401 -0.0236079 -0.0676805 -0.0419338 3.2666035 0.0601627 0.2087338 0.0470150 2.6678349 11 P 3.0103401 0.0236079 -0.0676805 0.0419338 3.2666035 -0.0601627 0.2087338 -0.0470150 2.6678349 12 P 3.0103401 -0.0236079 -0.0676805 -0.0419338 3.2666035 0.0601627 0.2087338 0.0470150 2.6678349 13 H 0.9789618 0.5271062 0.9294102 0.6962929 0.7730551 0.9413909 0.5804165 0.4697429 1.0081151 14 H 0.9789618 -0.5271062 0.9294102 -0.6962929 0.7730551 -0.9413909 0.5804165 -0.4697429 1.0081151 15 H 0.9789618 0.5271062 0.9294102 0.6962929 0.7730551 0.9413909 0.5804165 0.4697429 1.0081151 16 H 0.9789618 -0.5271062 0.9294102 -0.6962929 0.7730551 -0.9413909 0.5804165 -0.4697429 1.0081151 17 O -1.7528617 -0.0409639 -0.4658600 -0.0393398 -1.1601922 0.0065933 -0.4896946 -0.0090711 -1.4546122 18 O -1.7528617 0.0409639 -0.4658600 0.0393398 -1.1601922 -0.0065933 -0.4896946 0.0090711 -1.4546122 19 O -1.7528617 -0.0409639 -0.4658600 -0.0393398 -1.1601922 0.0065933 -0.4896946 -0.0090711 -1.4546122 20 O -1.7528617 0.0409639 -0.4658600 0.0393398 -1.1601922 -0.0065933 -0.4896946 0.0090711 -1.4546122 21 O -1.1864001 -0.0050359 0.2330572 -0.0091507 -1.1531773 0.0020596 0.0941583 0.0250794 -1.9233301 22 O -1.1864001 0.0050359 0.2330572 0.0091507 -1.1531773 -0.0020596 0.0941583 -0.0250794 -1.9233301 23 O -1.1864001 -0.0050359 0.2330572 -0.0091507 -1.1531773 0.0020596 0.0941583 0.0250794 -1.9233301 24 O -1.1864001 0.0050359 0.2330572 0.0091507 -1.1531773 -0.0020596 0.0941583 -0.0250794 -1.9233301 25 O -1.6322539 -0.6573482 -0.2611491 -0.8152583 -1.9142276 -0.1676452 -0.1678048 -0.0374623 -1.3632641 26 O -1.6322539 0.6573482 -0.2611491 0.8152583 -1.9142276 0.1676452 -0.1678048 0.0374623 -1.3632641 27 O -1.6322539 -0.6573482 -0.2611491 -0.8152583 -1.9142276 -0.1676452 -0.1678048 -0.0374623 -1.3632641 28 O -1.6322539 0.6573482 -0.2611491 0.8152583 -1.9142276 0.1676452 -0.1678048 0.0374623 -1.3632641 29 O -1.5647161 -0.6917380 -0.3712960 -0.8531770 -1.9407590 -0.3037064 -0.2284723 -0.1066763 -1.2900088 30 O -1.5647161 0.6917380 -0.3712960 0.8531770 -1.9407590 0.3037064 -0.2284723 0.1066763 -1.2900088 31 O -1.5647161 -0.6917380 -0.3712960 -0.8531770 -1.9407590 -0.3037064 -0.2284723 -0.1066763 -1.2900088 32 O -1.5647161 0.6917380 -0.3712960 0.8531770 -1.9407590 0.3037064 -0.2284723 0.1066763 -1.2900088 ---------------------------------------------------------------------------- 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] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Computing fc3[ 9, 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] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] 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] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] 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] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0045 0.0000 0.0090] [ 0.0045 0.0000 -0.0090] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (zy) 0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:04:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 22:04:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.445091390055254 0.000000000000000 0.000000000000000 b 0.000000000000000 6.821626820000000 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): 1 Na 0.50000000000000 0.50000000000000 0.50000000000000 22.990 2 Na 0.50000000000000 0.00000000000000 0.00000000000000 22.990 3 Na 0.50000000000000 0.00000000000000 0.50000000000000 22.990 4 Na 0.50000000000000 0.50000000000000 0.00000000000000 22.990 5 Na 0.10990659471029 0.25890416313214 0.11086424722915 22.990 6 Na 0.89009340528971 0.75890416313214 0.38913575277085 22.990 7 Na 0.89009340528971 0.74109583686786 0.88913575277085 22.990 8 Na 0.10990659471029 0.24109583686786 0.61086424722915 22.990 9 P 0.83295106561072 0.24873077716421 0.30855214296602 30.974 10 P 0.16704893438928 0.74873077716421 0.19144785703398 30.974 11 P 0.16704893438928 0.75126922283579 0.69144785703398 30.974 12 P 0.83295106561072 0.25126922283579 0.80855214296602 30.974 13 H 0.47705450086805 0.99677373000888 0.24260870397362 1.008 14 H 0.52294549913195 0.49677373000888 0.25739129602638 1.008 15 H 0.52294549913195 0.00322626999112 0.75739129602638 1.008 16 H 0.47705450086805 0.50322626999112 0.74260870397362 1.008 17 O 0.14113614283019 0.25326993819818 0.39874320581189 15.999 18 O 0.85886385716981 0.75326993819818 0.10125679418811 15.999 19 O 0.85886385716981 0.74673006180182 0.60125679418811 15.999 20 O 0.14113614283019 0.24673006180182 0.89874320581189 15.999 21 O 0.74075934467814 0.24980603555989 0.15518312789978 15.999 22 O 0.25924065532186 0.74980603555989 0.34481687210022 15.999 23 O 0.25924065532186 0.75019396444011 0.84481687210022 15.999 24 O 0.74075934467814 0.25019396444011 0.65518312789978 15.999 25 O 0.70250944820318 0.07037930647512 0.34832789349404 15.999 26 O 0.29749055179682 0.57037930647512 0.15167210650596 15.999 27 O 0.29749055179682 0.92962069352488 0.65167210650596 15.999 28 O 0.70250944820318 0.42962069352488 0.84832789349404 15.999 29 O 0.70692975597486 0.05896858571692 0.84448499843593 15.999 30 O 0.29307024402514 0.55896858571692 0.65551500156407 15.999 31 O 0.29307024402514 0.94103141428308 0.15551500156407 15.999 32 O 0.70692975597486 0.44103141428308 0.34448499843593 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.890182780110509 0.000000000000000 0.000000000000000 b 0.000000000000000 13.643253639999999 0.000000000000000 c -4.892890609303283 0.000000000000000 9.837846977750480 Atomic positions (fractional): 1 Na 0.25000000000000 0.25000000000000 0.50000000000000 22.990 > 1 2 Na 0.75000000000000 0.25000000000000 0.50000000000000 22.990 > 1 3 Na 0.25000000000000 0.75000000000000 0.50000000000000 22.990 > 1 4 Na 0.75000000000000 0.75000000000000 0.50000000000000 22.990 > 1 5 Na 0.25000000000000 0.00000000000000 0.00000000000000 22.990 > 5 6 Na 0.75000000000000 0.00000000000000 0.00000000000000 22.990 > 5 7 Na 0.25000000000000 0.50000000000000 0.00000000000000 22.990 > 5 8 Na 0.75000000000000 0.50000000000000 0.00000000000000 22.990 > 5 9 Na 0.25000000000000 0.00000000000000 0.50000000000000 22.990 > 9 10 Na 0.75000000000000 0.00000000000000 0.50000000000000 22.990 > 9 11 Na 0.25000000000000 0.50000000000000 0.50000000000000 22.990 > 9 12 Na 0.75000000000000 0.50000000000000 0.50000000000000 22.990 > 9 13 Na 0.25000000000000 0.25000000000000 0.00000000000000 22.990 > 13 14 Na 0.75000000000000 0.25000000000000 0.00000000000000 22.990 > 13 15 Na 0.25000000000000 0.75000000000000 0.00000000000000 22.990 > 13 16 Na 0.75000000000000 0.75000000000000 0.00000000000000 22.990 > 13 17 Na 0.05495329735514 0.12945208156607 0.11086424722915 22.990 > 17 18 Na 0.55495329735514 0.12945208156607 0.11086424722915 22.990 > 17 19 Na 0.05495329735514 0.62945208156607 0.11086424722915 22.990 > 17 20 Na 0.55495329735514 0.62945208156607 0.11086424722915 22.990 > 17 21 Na 0.44504670264486 0.37945208156607 0.38913575277085 22.990 > 21 22 Na 0.94504670264486 0.37945208156607 0.38913575277085 22.990 > 21 23 Na 0.44504670264486 0.87945208156607 0.38913575277085 22.990 > 21 24 Na 0.94504670264486 0.87945208156607 0.38913575277085 22.990 > 21 25 Na 0.44504670264486 0.37054791843393 0.88913575277085 22.990 > 25 26 Na 0.94504670264486 0.37054791843393 0.88913575277085 22.990 > 25 27 Na 0.44504670264486 0.87054791843393 0.88913575277085 22.990 > 25 28 Na 0.94504670264486 0.87054791843393 0.88913575277085 22.990 > 25 29 Na 0.05495329735514 0.12054791843393 0.61086424722915 22.990 > 29 30 Na 0.55495329735514 0.12054791843393 0.61086424722915 22.990 > 29 31 Na 0.05495329735514 0.62054791843393 0.61086424722915 22.990 > 29 32 Na 0.55495329735514 0.62054791843393 0.61086424722915 22.990 > 29 33 P 0.41647553280536 0.12436538858211 0.30855214296602 30.974 > 33 34 P 0.91647553280536 0.12436538858211 0.30855214296602 30.974 > 33 35 P 0.41647553280536 0.62436538858211 0.30855214296602 30.974 > 33 36 P 0.91647553280536 0.62436538858211 0.30855214296602 30.974 > 33 37 P 0.08352446719464 0.37436538858211 0.19144785703398 30.974 > 37 38 P 0.58352446719464 0.37436538858211 0.19144785703398 30.974 > 37 39 P 0.08352446719464 0.87436538858211 0.19144785703398 30.974 > 37 40 P 0.58352446719464 0.87436538858211 0.19144785703398 30.974 > 37 41 P 0.08352446719464 0.37563461141789 0.69144785703398 30.974 > 41 42 P 0.58352446719464 0.37563461141789 0.69144785703398 30.974 > 41 43 P 0.08352446719464 0.87563461141789 0.69144785703398 30.974 > 41 44 P 0.58352446719464 0.87563461141789 0.69144785703398 30.974 > 41 45 P 0.41647553280536 0.12563461141789 0.80855214296602 30.974 > 45 46 P 0.91647553280536 0.12563461141789 0.80855214296602 30.974 > 45 47 P 0.41647553280536 0.62563461141789 0.80855214296602 30.974 > 45 48 P 0.91647553280536 0.62563461141789 0.80855214296602 30.974 > 45 49 H 0.23852725043403 0.49838686500444 0.24260870397362 1.008 > 49 50 H 0.73852725043403 0.49838686500444 0.24260870397362 1.008 > 49 51 H 0.23852725043403 0.99838686500444 0.24260870397362 1.008 > 49 52 H 0.73852725043403 0.99838686500444 0.24260870397362 1.008 > 49 53 H 0.26147274956597 0.24838686500444 0.25739129602638 1.008 > 53 54 H 0.76147274956597 0.24838686500444 0.25739129602638 1.008 > 53 55 H 0.26147274956597 0.74838686500444 0.25739129602638 1.008 > 53 56 H 0.76147274956597 0.74838686500444 0.25739129602638 1.008 > 53 57 H 0.26147274956597 0.00161313499556 0.75739129602638 1.008 > 57 58 H 0.76147274956597 0.00161313499556 0.75739129602638 1.008 > 57 59 H 0.26147274956597 0.50161313499556 0.75739129602638 1.008 > 57 60 H 0.76147274956597 0.50161313499556 0.75739129602638 1.008 > 57 61 H 0.23852725043403 0.25161313499556 0.74260870397362 1.008 > 61 62 H 0.73852725043403 0.25161313499556 0.74260870397362 1.008 > 61 63 H 0.23852725043403 0.75161313499556 0.74260870397362 1.008 > 61 64 H 0.73852725043403 0.75161313499556 0.74260870397362 1.008 > 61 65 O 0.07056807141509 0.12663496909909 0.39874320581189 15.999 > 65 66 O 0.57056807141509 0.12663496909909 0.39874320581189 15.999 > 65 67 O 0.07056807141509 0.62663496909909 0.39874320581189 15.999 > 65 68 O 0.57056807141509 0.62663496909909 0.39874320581189 15.999 > 65 69 O 0.42943192858491 0.37663496909909 0.10125679418811 15.999 > 69 70 O 0.92943192858491 0.37663496909909 0.10125679418811 15.999 > 69 71 O 0.42943192858491 0.87663496909909 0.10125679418811 15.999 > 69 72 O 0.92943192858491 0.87663496909909 0.10125679418811 15.999 > 69 73 O 0.42943192858491 0.37336503090091 0.60125679418811 15.999 > 73 74 O 0.92943192858491 0.37336503090091 0.60125679418811 15.999 > 73 75 O 0.42943192858491 0.87336503090091 0.60125679418811 15.999 > 73 76 O 0.92943192858491 0.87336503090091 0.60125679418811 15.999 > 73 77 O 0.07056807141509 0.12336503090091 0.89874320581189 15.999 > 77 78 O 0.57056807141509 0.12336503090091 0.89874320581189 15.999 > 77 79 O 0.07056807141509 0.62336503090091 0.89874320581189 15.999 > 77 80 O 0.57056807141509 0.62336503090091 0.89874320581189 15.999 > 77 81 O 0.37037967233907 0.12490301777995 0.15518312789978 15.999 > 81 82 O 0.87037967233907 0.12490301777995 0.15518312789978 15.999 > 81 83 O 0.37037967233907 0.62490301777995 0.15518312789978 15.999 > 81 84 O 0.87037967233907 0.62490301777995 0.15518312789978 15.999 > 81 85 O 0.12962032766093 0.37490301777995 0.34481687210022 15.999 > 85 86 O 0.62962032766093 0.37490301777995 0.34481687210022 15.999 > 85 87 O 0.12962032766093 0.87490301777995 0.34481687210022 15.999 > 85 88 O 0.62962032766093 0.87490301777995 0.34481687210022 15.999 > 85 89 O 0.12962032766093 0.37509698222005 0.84481687210022 15.999 > 89 90 O 0.62962032766093 0.37509698222005 0.84481687210022 15.999 > 89 91 O 0.12962032766093 0.87509698222005 0.84481687210022 15.999 > 89 92 O 0.62962032766093 0.87509698222005 0.84481687210022 15.999 > 89 93 O 0.37037967233907 0.12509698222005 0.65518312789978 15.999 > 93 94 O 0.87037967233907 0.12509698222005 0.65518312789978 15.999 > 93 95 O 0.37037967233907 0.62509698222005 0.65518312789978 15.999 > 93 96 O 0.87037967233907 0.62509698222005 0.65518312789978 15.999 > 93 97 O 0.35125472410159 0.03518965323756 0.34832789349404 15.999 > 97 98 O 0.85125472410159 0.03518965323756 0.34832789349404 15.999 > 97 99 O 0.35125472410159 0.53518965323756 0.34832789349404 15.999 > 97 100 O 0.85125472410159 0.53518965323756 0.34832789349404 15.999 > 97 101 O 0.14874527589841 0.28518965323756 0.15167210650596 15.999 > 101 102 O 0.64874527589841 0.28518965323756 0.15167210650596 15.999 > 101 103 O 0.14874527589841 0.78518965323756 0.15167210650596 15.999 > 101 104 O 0.64874527589841 0.78518965323756 0.15167210650596 15.999 > 101 105 O 0.14874527589841 0.46481034676244 0.65167210650596 15.999 > 105 106 O 0.64874527589841 0.46481034676244 0.65167210650596 15.999 > 105 107 O 0.14874527589841 0.96481034676244 0.65167210650596 15.999 > 105 108 O 0.64874527589841 0.96481034676244 0.65167210650596 15.999 > 105 109 O 0.35125472410159 0.21481034676244 0.84832789349404 15.999 > 109 110 O 0.85125472410159 0.21481034676244 0.84832789349404 15.999 > 109 111 O 0.35125472410159 0.71481034676244 0.84832789349404 15.999 > 109 112 O 0.85125472410159 0.71481034676244 0.84832789349404 15.999 > 109 113 O 0.35346487798743 0.02948429285846 0.84448499843593 15.999 > 113 114 O 0.85346487798743 0.02948429285846 0.84448499843593 15.999 > 113 115 O 0.35346487798743 0.52948429285846 0.84448499843593 15.999 > 113 116 O 0.85346487798743 0.52948429285846 0.84448499843593 15.999 > 113 117 O 0.14653512201257 0.27948429285846 0.65551500156407 15.999 > 117 118 O 0.64653512201257 0.27948429285846 0.65551500156407 15.999 > 117 119 O 0.14653512201257 0.77948429285846 0.65551500156407 15.999 > 117 120 O 0.64653512201257 0.77948429285846 0.65551500156407 15.999 > 117 121 O 0.14653512201257 0.47051570714154 0.15551500156407 15.999 > 121 122 O 0.64653512201257 0.47051570714154 0.15551500156407 15.999 > 121 123 O 0.14653512201257 0.97051570714154 0.15551500156407 15.999 > 121 124 O 0.64653512201257 0.97051570714154 0.15551500156407 15.999 > 121 125 O 0.35346487798743 0.22051570714154 0.34448499843593 15.999 > 125 126 O 0.85346487798743 0.22051570714154 0.34448499843593 15.999 > 125 127 O 0.35346487798743 0.72051570714154 0.34448499843593 15.999 > 125 128 O 0.85346487798743 0.72051570714154 0.34448499843593 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3896793 0.0000000 0.0916285 0.0000000 2.3749090 0.0000000 0.0916255 0.0000000 2.3769407 -------------------------- Born effective charges -------------------------- 1 Na 1.1135555 0.1484359 0.0045253 -0.0155705 1.0433004 0.0168831 0.0346546 -0.0146976 1.2191900 2 Na 1.1135555 -0.1484359 0.0045253 0.0155705 1.0433004 -0.0168831 0.0346546 0.0146976 1.2191900 3 Na 1.1186619 -0.1423740 -0.0077793 0.0252343 1.0365071 -0.0192971 0.0252524 0.0126984 1.2164867 4 Na 1.1186619 0.1423740 -0.0077793 -0.0252343 1.0365071 0.0192971 0.0252524 -0.0126984 1.2164867 5 Na 1.0308211 0.0010210 0.0051453 -0.0007930 1.0887937 -0.0071186 -0.0272905 -0.0042872 1.1374270 6 Na 1.0308211 -0.0010210 0.0051453 0.0007930 1.0887937 0.0071186 -0.0272905 0.0042872 1.1374270 7 Na 1.0308211 0.0010210 0.0051453 -0.0007930 1.0887937 -0.0071186 -0.0272905 -0.0042872 1.1374270 8 Na 1.0308211 -0.0010210 0.0051453 0.0007930 1.0887937 0.0071186 -0.0272905 0.0042872 1.1374270 9 P 3.0103401 0.0236079 -0.0676805 0.0419338 3.2666035 -0.0601627 0.2087338 -0.0470150 2.6678349 10 P 3.0103401 -0.0236079 -0.0676805 -0.0419338 3.2666035 0.0601627 0.2087338 0.0470150 2.6678349 11 P 3.0103401 0.0236079 -0.0676805 0.0419338 3.2666035 -0.0601627 0.2087338 -0.0470150 2.6678349 12 P 3.0103401 -0.0236079 -0.0676805 -0.0419338 3.2666035 0.0601627 0.2087338 0.0470150 2.6678349 13 H 0.9789618 0.5271062 0.9294102 0.6962929 0.7730551 0.9413909 0.5804165 0.4697429 1.0081151 14 H 0.9789618 -0.5271062 0.9294102 -0.6962929 0.7730551 -0.9413909 0.5804165 -0.4697429 1.0081151 15 H 0.9789618 0.5271062 0.9294102 0.6962929 0.7730551 0.9413909 0.5804165 0.4697429 1.0081151 16 H 0.9789618 -0.5271062 0.9294102 -0.6962929 0.7730551 -0.9413909 0.5804165 -0.4697429 1.0081151 17 O -1.7528617 -0.0409639 -0.4658600 -0.0393398 -1.1601922 0.0065933 -0.4896946 -0.0090711 -1.4546122 18 O -1.7528617 0.0409639 -0.4658600 0.0393398 -1.1601922 -0.0065933 -0.4896946 0.0090711 -1.4546122 19 O -1.7528617 -0.0409639 -0.4658600 -0.0393398 -1.1601922 0.0065933 -0.4896946 -0.0090711 -1.4546122 20 O -1.7528617 0.0409639 -0.4658600 0.0393398 -1.1601922 -0.0065933 -0.4896946 0.0090711 -1.4546122 21 O -1.1864001 -0.0050359 0.2330572 -0.0091507 -1.1531773 0.0020596 0.0941583 0.0250794 -1.9233301 22 O -1.1864001 0.0050359 0.2330572 0.0091507 -1.1531773 -0.0020596 0.0941583 -0.0250794 -1.9233301 23 O -1.1864001 -0.0050359 0.2330572 -0.0091507 -1.1531773 0.0020596 0.0941583 0.0250794 -1.9233301 24 O -1.1864001 0.0050359 0.2330572 0.0091507 -1.1531773 -0.0020596 0.0941583 -0.0250794 -1.9233301 25 O -1.6322539 -0.6573482 -0.2611491 -0.8152583 -1.9142276 -0.1676452 -0.1678048 -0.0374623 -1.3632641 26 O -1.6322539 0.6573482 -0.2611491 0.8152583 -1.9142276 0.1676452 -0.1678048 0.0374623 -1.3632641 27 O -1.6322539 -0.6573482 -0.2611491 -0.8152583 -1.9142276 -0.1676452 -0.1678048 -0.0374623 -1.3632641 28 O -1.6322539 0.6573482 -0.2611491 0.8152583 -1.9142276 0.1676452 -0.1678048 0.0374623 -1.3632641 29 O -1.5647161 -0.6917380 -0.3712960 -0.8531770 -1.9407590 -0.3037064 -0.2284723 -0.1066763 -1.2900088 30 O -1.5647161 0.6917380 -0.3712960 0.8531770 -1.9407590 0.3037064 -0.2284723 0.1066763 -1.2900088 31 O -1.5647161 -0.6917380 -0.3712960 -0.8531770 -1.9407590 -0.3037064 -0.2284723 -0.1066763 -1.2900088 32 O -1.5647161 0.6917380 -0.3712960 0.8531770 -1.9407590 0.3037064 -0.2284723 0.1066763 -1.2900088 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000003 (zzz) -0.00000003 (zzz) -0.00000003 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 7 5 ] 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: 0.58, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 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 1.723 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.757 ( 0.000 0.000 0.000) 0.000 2.845 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.119 ( 0.000 0.000 0.000) 0.000 3.472 ( 0.000 0.000 0.000) 0.000 3.607 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.871 ( 0.000 0.000 0.000) 0.000 3.922 ( 0.000 0.000 0.000) 0.000 4.018 ( 0.000 0.000 0.000) 0.000 4.233 ( 0.000 0.000 0.000) 0.000 4.381 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.664 ( 0.000 0.000 0.000) 0.000 4.825 ( 0.000 0.000 0.000) 0.000 5.067 ( 0.000 0.000 0.000) 0.000 5.077 ( 0.000 0.000 0.000) 0.000 5.249 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.421 ( 0.000 0.000 0.000) 0.000 5.573 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 6.257 ( 0.000 0.000 0.000) 0.000 6.344 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.615 ( 0.000 0.000 0.000) 0.000 7.002 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.141 ( 0.000 0.000 0.000) 0.000 7.235 ( 0.000 0.000 0.000) 0.000 7.257 ( 0.000 0.000 0.000) 0.000 7.292 ( 0.000 0.000 0.000) 0.000 7.321 ( 0.000 0.000 0.000) 0.000 7.514 ( 0.000 0.000 0.000) 0.000 7.756 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 8.152 ( 0.000 0.000 0.000) 0.000 8.156 ( 0.000 0.000 0.000) 0.000 8.327 ( 0.000 0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 11.673 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.937 ( 0.000 0.000 0.000) 0.000 13.713 ( 0.000 0.000 0.000) 0.000 13.821 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.229 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 15.641 ( 0.000 0.000 0.000) 0.000 15.883 ( 0.000 0.000 0.000) 0.000 15.901 ( 0.000 0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 16.160 ( 0.000 0.000 0.000) 0.000 16.633 ( 0.000 0.000 0.000) 0.000 17.059 ( 0.000 0.000 0.000) 0.000 17.554 ( 0.000 0.000 0.000) 0.000 17.582 ( 0.000 0.000 0.000) 0.000 25.005 ( 0.000 0.000 0.000) 0.000 25.029 ( 0.000 0.000 0.000) 0.000 25.491 ( 0.000 0.000 0.000) 0.000 25.530 ( 0.000 0.000 0.000) 0.000 26.410 ( 0.000 0.000 0.000) 0.000 26.450 ( 0.000 0.000 0.000) 0.000 28.906 ( 0.000 0.000 0.000) 0.000 29.045 ( 0.000 0.000 0.000) 0.000 29.243 ( 0.000 0.000 0.000) 0.000 29.562 ( 0.000 0.000 0.000) 0.000 30.590 ( 0.000 0.000 0.000) 0.000 30.884 ( 0.000 0.000 0.000) 0.000 32.826 ( 0.000 0.000 0.000) 0.000 32.924 ( 0.000 0.000 0.000) 0.000 32.944 ( 0.000 0.000 0.000) 0.000 32.993 ( 0.000 0.000 0.000) 0.000 33.339 ( 0.000 0.000 0.000) 0.000 33.522 ( 0.000 0.000 0.000) 0.000 33.887 ( 0.000 0.000 0.000) 0.000 34.609 ( 0.000 0.000 0.000) 0.000 42.287 ( 0.000 0.000 0.000) 0.000 42.363 ( 0.000 0.000 0.000) 0.000 43.323 ( 0.000 0.000 0.000) 0.000 43.426 ( 0.000 0.000 0.000) 0.000 50.474 ( 0.000 0.000 0.000) 0.000 51.107 ( 0.000 0.000 0.000) 0.000 55.449 ( 0.000 0.000 0.000) 0.000 57.994 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.579 ( 31.322 0.000 0.391) 31.325 0.731 ( 29.969 0.000 15.588) 33.781 0.910 ( 28.607 0.000 39.835) 49.043 1.963 ( 15.930 0.000 9.236) 18.414 2.108 ( 2.897 0.000 -0.424) 2.928 2.517 ( 0.623 0.000 2.774) 2.843 2.746 ( -8.478 0.000 1.082) 8.547 2.756 ( 0.280 0.000 -2.268) 2.286 2.985 ( 4.718 0.000 -0.017) 4.719 3.111 ( 0.192 0.000 -2.098) 2.107 3.355 ( -11.125 0.000 -1.850) 11.278 3.385 ( -10.924 0.000 -7.545) 13.276 3.866 ( -4.323 0.000 -3.012) 5.269 3.930 ( -0.863 0.000 2.944) 3.068 3.968 ( -12.282 0.000 -0.979) 12.321 3.975 ( -3.627 0.000 -3.884) 5.314 4.342 ( -2.879 0.000 5.505) 6.212 4.388 ( 0.312 0.000 1.397) 1.432 4.456 ( -0.189 0.000 -1.259) 1.273 4.534 ( -3.748 0.000 -2.355) 4.426 4.635 ( 2.916 0.000 -7.990) 8.505 4.658 ( -1.918 0.000 -1.989) 2.763 4.791 ( -1.763 0.000 -4.016) 4.386 5.098 ( 1.947 0.000 2.049) 2.827 5.134 ( 1.810 0.000 6.419) 6.669 5.223 ( -0.823 0.000 -4.759) 4.829 5.324 ( -2.524 0.000 -3.202) 4.077 5.527 ( -3.933 0.000 -1.300) 4.142 5.681 ( -10.097 0.000 17.018) 19.788 5.880 ( -7.783 0.000 -6.540) 10.166 6.230 ( -11.329 0.000 9.951) 15.079 6.337 ( -1.382 0.000 1.294) 1.893 6.427 ( 4.957 0.000 9.354) 10.587 6.528 ( -10.513 0.000 15.156) 18.446 6.597 ( -0.934 0.000 -1.972) 2.181 7.005 ( -6.123 0.000 -1.493) 6.302 7.011 ( -2.441 0.000 -1.218) 2.728 7.245 ( 4.087 0.000 -2.051) 4.573 7.295 ( 1.375 0.000 -1.222) 1.840 7.336 ( -1.753 0.000 12.889) 13.008 7.395 ( 14.218 0.000 -13.544) 19.636 7.458 ( 1.338 0.000 5.498) 5.658 7.483 ( -3.431 0.000 -0.951) 3.560 7.668 ( -0.143 0.000 0.129) 0.192 7.886 ( 5.420 0.000 3.430) 6.414 8.173 ( 1.997 0.000 0.244) 2.012 8.237 ( 7.680 0.000 0.555) 7.700 8.527 ( 1.936 0.000 -1.127) 2.240 11.507 ( -1.383 0.000 0.747) 1.572 11.569 ( -0.955 0.000 -1.673) 1.926 11.680 ( -0.088 0.000 1.881) 1.883 11.754 ( 0.683 0.000 0.372) 0.778 11.782 ( -1.724 0.000 -0.098) 1.727 11.899 ( -2.798 0.000 -2.581) 3.807 13.748 ( 3.539 0.000 0.625) 3.594 13.828 ( 0.965 0.000 0.043) 0.966 14.291 ( 7.945 0.000 -2.943) 8.472 14.929 ( 8.550 0.000 -14.386) 16.735 15.630 ( -0.666 0.000 -0.706) 0.970 15.860 ( -2.223 0.000 -0.286) 2.241 15.877 ( -2.515 0.000 -0.176) 2.521 16.025 ( -0.561 0.000 0.751) 0.937 16.135 ( 6.122 0.000 -12.276) 13.718 16.155 ( -0.317 0.000 -0.612) 0.689 16.963 ( -7.162 0.000 -3.955) 8.181 16.972 ( -5.242 0.000 13.227) 14.228 17.568 ( -0.158 0.000 -2.482) 2.487 17.612 ( 4.266 0.000 1.492) 4.519 25.004 ( -0.086 0.000 -0.018) 0.088 25.028 ( 0.014 0.000 -0.264) 0.265 25.520 ( 1.858 0.000 1.798) 2.585 25.566 ( 3.135 0.000 -4.140) 5.193 26.395 ( -1.100 0.000 -0.424) 1.179 26.456 ( 0.229 0.000 0.615) 0.656 28.950 ( -0.058 0.000 2.605) 2.605 29.160 ( 9.286 0.000 5.248) 10.666 29.208 ( -1.751 0.000 -2.635) 3.164 30.295 ( 3.990 0.000 -41.909) 42.099 30.803 ( 22.564 0.000 -27.012) 35.196 30.920 ( 3.881 0.000 0.282) 3.891 32.851 ( 0.488 0.000 4.108) 4.137 32.942 ( -0.254 0.000 -0.053) 0.260 32.993 ( -0.331 0.000 0.659) 0.738 33.333 ( 0.865 0.000 -2.981) 3.104 33.456 ( -5.199 0.000 -3.354) 6.187 33.819 ( 7.140 0.000 -12.710) 14.578 34.575 ( -2.900 0.000 -1.534) 3.281 34.670 ( -15.288 0.000 34.918) 38.118 42.300 ( 0.875 0.000 0.901) 1.256 42.356 ( -0.291 0.000 -0.768) 0.821 43.327 ( 0.735 0.000 -0.648) 0.980 43.507 ( 3.376 0.000 -5.430) 6.394 50.537 ( 4.118 0.000 5.049) 6.515 51.065 ( -2.183 0.000 -4.552) 5.049 57.663 ( -21.036 0.000 -26.444) 33.790 60.840 ( -79.030 0.000 132.313) 154.119 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 26.999 0.000 5.142) 27.484 1.334 ( 19.982 0.000 11.802) 23.207 1.754 ( 26.790 0.000 31.953) 41.698 2.183 ( 5.104 0.000 0.491) 5.127 2.231 ( 2.164 0.000 5.654) 6.054 2.527 ( -5.698 0.000 3.997) 6.961 2.689 ( 2.849 0.000 6.385) 6.992 2.714 ( -1.163 0.000 -5.956) 6.068 3.034 ( -10.238 0.000 -9.694) 14.099 3.072 ( -2.024 0.000 -4.299) 4.752 3.087 ( -0.865 0.000 -2.215) 2.378 3.161 ( -7.685 0.000 -1.962) 7.932 3.472 ( -23.036 0.000 -6.371) 23.901 3.726 ( -7.500 0.000 -3.536) 8.292 3.818 ( -7.552 0.000 -3.552) 8.346 4.086 ( 2.237 0.000 3.233) 3.931 4.256 ( -13.757 0.000 -7.314) 15.580 4.305 ( -7.789 0.000 7.735) 10.978 4.382 ( -1.061 0.000 -2.330) 2.560 4.526 ( 2.928 0.000 -2.611) 3.924 4.642 ( -0.921 0.000 3.435) 3.556 4.653 ( 5.791 0.000 -7.532) 9.501 4.692 ( -5.320 0.000 -0.880) 5.392 5.132 ( -2.782 0.000 -6.308) 6.894 5.165 ( 3.145 0.000 2.030) 3.744 5.234 ( 1.499 0.000 7.778) 7.921 5.303 ( 1.504 0.000 -1.421) 2.069 5.425 ( -5.737 0.000 -0.560) 5.764 5.610 ( -11.996 0.000 -10.215) 15.756 5.643 ( -7.417 0.000 9.150) 11.778 6.022 ( -18.494 0.000 7.497) 19.956 6.324 ( -0.956 0.000 1.147) 1.493 6.467 ( -1.894 0.000 3.433) 3.921 6.535 ( -4.524 0.000 -2.553) 5.195 6.659 ( 8.311 0.000 4.187) 9.306 6.890 ( -6.867 0.000 -4.054) 7.975 6.908 ( -4.161 0.000 1.553) 4.442 7.214 ( -3.671 0.000 -3.207) 4.875 7.297 ( 1.936 0.000 2.331) 3.030 7.421 ( -2.355 0.000 11.274) 11.517 7.472 ( 1.789 0.000 1.131) 2.116 7.529 ( 4.552 0.000 -1.678) 4.852 7.564 ( 13.585 0.000 -7.814) 15.672 7.741 ( 4.216 0.000 1.253) 4.398 8.083 ( 11.401 0.000 7.280) 13.527 8.228 ( 3.991 0.000 -0.011) 3.991 8.409 ( 8.859 0.000 1.801) 9.040 8.562 ( 3.804 0.000 -3.105) 4.910 11.497 ( -0.122 0.000 1.246) 1.252 11.528 ( -1.105 0.000 -2.872) 3.077 11.695 ( -1.189 0.000 3.055) 3.278 11.728 ( -4.399 0.000 -0.451) 4.422 11.785 ( 1.736 0.000 2.060) 2.694 11.797 ( -4.432 0.000 -3.433) 5.606 13.850 ( 6.449 0.000 0.955) 6.519 13.863 ( 3.350 0.000 -0.895) 3.468 14.450 ( 10.932 0.000 -1.768) 11.074 14.951 ( 3.232 0.000 -5.455) 6.341 15.617 ( 0.327 0.000 -0.605) 0.688 15.802 ( -3.764 0.000 0.059) 3.765 15.808 ( -4.724 0.000 -0.049) 4.724 16.019 ( -1.338 0.000 1.732) 2.188 16.133 ( 2.611 0.000 -6.103) 6.638 16.137 ( -0.729 0.000 -1.115) 1.332 16.769 ( -8.222 0.000 -6.014) 10.187 17.005 ( -2.501 0.000 9.249) 9.581 17.540 ( 0.488 0.000 -3.894) 3.925 17.699 ( 3.513 0.000 0.948) 3.638 25.005 ( 0.249 0.000 0.179) 0.307 25.025 ( 0.009 0.000 -0.431) 0.431 25.572 ( 1.214 0.000 2.518) 2.795 25.579 ( 1.251 0.000 -2.773) 3.043 26.380 ( 0.060 0.000 0.034) 0.069 26.466 ( 0.298 0.000 0.436) 0.528 28.977 ( 0.012 0.000 2.994) 2.994 29.112 ( -3.977 0.000 -3.724) 5.449 29.497 ( 16.379 0.000 12.790) 20.781 29.989 ( -3.854 0.000 -24.034) 24.341 30.920 ( 10.860 0.000 -14.314) 17.968 31.034 ( 8.346 0.000 -0.010) 8.346 32.905 ( 0.587 0.000 4.666) 4.703 32.935 ( -0.226 0.000 -0.262) 0.346 32.996 ( -0.671 0.000 2.497) 2.585 33.261 ( -7.171 0.000 -6.357) 9.583 33.350 ( 1.488 0.000 -4.290) 4.541 33.841 ( 4.364 0.000 -5.665) 7.151 34.476 ( -5.566 0.000 -3.056) 6.350 34.723 ( -4.964 0.000 16.908) 17.622 42.332 ( 1.293 0.000 1.384) 1.894 42.340 ( -0.421 0.000 -1.217) 1.287 43.337 ( 1.046 0.000 -0.854) 1.351 43.523 ( 1.856 0.000 -1.632) 2.472 50.697 ( 6.116 0.000 7.912) 10.000 50.957 ( -3.281 0.000 -7.230) 7.940 56.863 ( -26.632 0.000 -44.067) 51.490 60.512 ( -49.447 0.000 56.520) 75.097 ======================= Grid point 3 (4/104) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 0.573 0.000 3.237) 3.287 1.620 ( 16.189 0.000 8.106) 18.105 2.180 ( -10.647 0.000 2.549) 10.948 2.293 ( 4.604 0.000 3.223) 5.620 2.408 ( 20.449 0.000 8.103) 21.996 2.525 ( -16.667 0.000 -13.899) 21.701 2.559 ( 3.073 0.000 3.491) 4.651 2.616 ( -1.323 0.000 -7.735) 7.848 2.871 ( 5.669 0.000 1.898) 5.978 2.977 ( -9.690 0.000 -6.243) 11.527 2.997 ( -9.693 0.000 0.698) 9.719 3.097 ( -0.003 0.000 5.525) 5.525 3.162 ( -5.682 0.000 8.092) 9.888 3.599 ( -2.705 0.000 1.367) 3.030 3.669 ( -6.645 0.000 -3.259) 7.401 3.924 ( -13.021 0.000 -7.295) 14.925 4.077 ( -3.937 0.000 -5.148) 6.481 4.176 ( -12.740 0.000 8.327) 15.220 4.327 ( -1.952 0.000 -2.674) 3.310 4.543 ( 1.018 0.000 -2.614) 2.806 4.558 ( -3.552 0.000 -2.925) 4.601 4.687 ( 5.843 0.000 -9.107) 10.820 4.732 ( 1.866 0.000 7.723) 7.946 4.993 ( -9.085 0.000 -0.876) 9.127 5.218 ( -12.185 0.000 -3.164) 12.590 5.245 ( 3.464 0.000 1.804) 3.905 5.298 ( -3.126 0.000 6.105) 6.859 5.337 ( -2.307 0.000 -0.630) 2.392 5.399 ( 3.004 0.000 -8.887) 9.381 5.569 ( -5.516 0.000 1.998) 5.867 5.760 ( -16.293 0.000 8.720) 18.479 6.293 ( -7.676 0.000 0.112) 7.676 6.377 ( -5.010 0.000 -1.592) 5.257 6.490 ( 1.178 0.000 2.269) 2.557 6.774 ( 2.603 0.000 -1.002) 2.789 6.816 ( 3.159 0.000 -2.711) 4.163 6.901 ( 0.693 0.000 2.921) 3.002 7.153 ( -0.684 0.000 -3.001) 3.078 7.360 ( 2.180 0.000 2.999) 3.708 7.440 ( -2.993 0.000 4.802) 5.659 7.554 ( 5.618 0.000 1.644) 5.854 7.570 ( 1.656 0.000 -1.404) 2.171 7.747 ( 13.140 0.000 -7.593) 15.176 7.799 ( -0.271 0.000 3.872) 3.881 8.315 ( 4.808 0.000 0.512) 4.835 8.388 ( 12.531 0.000 5.997) 13.892 8.582 ( 9.039 0.000 1.640) 9.187 8.608 ( 4.884 0.000 -4.038) 6.337 11.473 ( -2.183 0.000 -3.908) 4.477 11.525 ( 1.091 0.000 1.879) 2.172 11.606 ( -5.892 0.000 -1.806) 6.163 11.686 ( -2.736 0.000 2.962) 4.032 11.708 ( -3.356 0.000 -1.020) 3.507 11.853 ( 2.647 0.000 3.699) 4.549 13.935 ( 5.455 0.000 -1.278) 5.603 13.989 ( 7.349 0.000 0.931) 7.408 14.626 ( 7.809 0.000 0.783) 7.848 14.941 ( -0.249 0.000 -2.570) 2.582 15.631 ( 0.429 0.000 -0.472) 0.638 15.719 ( -3.944 0.000 1.390) 4.182 15.728 ( -4.186 0.000 0.064) 4.187 16.013 ( -1.449 0.000 2.911) 3.252 16.113 ( -0.406 0.000 -1.500) 1.554 16.117 ( 1.052 0.000 -4.723) 4.839 16.570 ( -6.824 0.000 -6.616) 9.505 17.041 ( -1.625 0.000 6.660) 6.856 17.524 ( 1.601 0.000 -3.481) 3.831 17.753 ( 1.955 0.000 -0.037) 1.956 25.016 ( 0.561 0.000 0.379) 0.677 25.021 ( -0.013 0.000 -0.448) 0.448 25.555 ( -0.991 0.000 -2.621) 2.802 25.602 ( -0.185 0.000 2.074) 2.082 26.406 ( 2.222 0.000 0.852) 2.380 26.472 ( 0.176 0.000 -0.243) 0.300 28.999 ( -0.433 0.000 2.396) 2.435 29.005 ( -3.762 0.000 -3.372) 5.052 29.733 ( -4.372 0.000 -14.628) 15.268 29.937 ( 13.716 0.000 18.742) 23.225 30.952 ( 5.123 0.000 -9.875) 11.124 31.221 ( 11.925 0.000 -0.564) 11.938 32.925 ( -0.595 0.000 -1.196) 1.336 32.942 ( 0.409 0.000 1.075) 1.151 33.020 ( -0.861 0.000 5.444) 5.512 33.054 ( -7.536 0.000 -5.497) 9.328 33.374 ( 5.152 0.000 -4.682) 6.962 33.873 ( 3.213 0.000 -2.845) 4.292 34.322 ( -7.393 0.000 -4.039) 8.425 34.789 ( -1.336 0.000 9.807) 9.898 42.321 ( -0.359 0.000 -1.187) 1.240 42.368 ( 1.165 0.000 1.309) 1.752 43.347 ( 0.772 0.000 -0.631) 0.997 43.542 ( 1.173 0.000 -0.365) 1.229 50.830 ( -2.973 0.000 -7.056) 7.657 50.880 ( 5.444 0.000 7.676) 9.410 56.033 ( -16.965 0.000 -43.607) 46.791 60.107 ( -35.282 0.000 28.160) 45.142 ======================= Grid point 4 (5/104) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -5.333 0.000 -0.061) 5.333 1.831 ( 1.259 0.000 3.941) 4.137 1.940 ( -17.183 0.000 3.427) 17.522 2.034 ( -9.054 0.000 -22.843) 24.572 2.391 ( 0.363 0.000 7.637) 7.646 2.509 ( 2.474 0.000 -11.625) 11.885 2.645 ( -12.678 0.000 -3.921) 13.270 2.655 ( 8.179 0.000 -6.250) 10.294 2.809 ( 7.801 0.000 5.384) 9.479 2.907 ( -2.571 0.000 2.425) 3.534 3.022 ( 6.280 0.000 4.984) 8.017 3.186 ( 5.371 0.000 6.760) 8.634 3.406 ( 8.394 0.000 24.108) 25.527 3.429 ( -10.422 0.000 -6.785) 12.437 3.664 ( 1.886 0.000 3.683) 4.138 3.698 ( -6.173 0.000 -3.502) 7.097 3.803 ( -16.115 0.000 -6.995) 17.568 4.062 ( -5.071 0.000 -2.049) 5.469 4.282 ( -0.997 0.000 -0.693) 1.214 4.495 ( -1.792 0.000 -0.829) 1.975 4.514 ( -1.595 0.000 -1.665) 2.306 4.671 ( 1.922 0.000 -9.500) 9.692 4.819 ( -10.438 0.000 2.137) 10.654 4.846 ( 3.622 0.000 4.833) 6.040 5.041 ( 0.205 0.000 -2.764) 2.771 5.198 ( -8.508 0.000 1.176) 8.589 5.318 ( 2.362 0.000 1.330) 2.711 5.323 ( 0.069 0.000 0.073) 0.101 5.378 ( -0.766 0.000 -4.511) 4.576 5.500 ( -5.135 0.000 1.231) 5.281 5.625 ( -4.690 0.000 5.083) 6.916 6.088 ( -8.912 0.000 -1.094) 8.979 6.356 ( -0.216 0.000 0.428) 0.479 6.533 ( 1.700 0.000 0.496) 1.771 6.806 ( 1.054 0.000 2.658) 2.859 6.890 ( 4.702 0.000 -0.672) 4.750 6.919 ( -0.129 0.000 -1.378) 1.385 7.117 ( -0.858 0.000 -1.818) 2.010 7.421 ( -1.684 0.000 1.319) 2.139 7.429 ( 2.155 0.000 3.140) 3.808 7.563 ( -0.108 0.000 -3.153) 3.155 7.679 ( 6.671 0.000 -1.436) 6.824 7.815 ( -2.325 0.000 5.567) 6.034 7.888 ( 7.671 0.000 -4.139) 8.716 8.395 ( 2.655 0.000 0.976) 2.829 8.573 ( 4.461 0.000 1.461) 4.695 8.667 ( 4.782 0.000 -3.050) 5.672 8.790 ( 9.695 0.000 2.249) 9.952 11.361 ( -5.012 0.000 -3.077) 5.881 11.542 ( -0.225 0.000 -0.848) 0.877 11.557 ( 0.716 0.000 1.306) 1.490 11.644 ( -2.911 0.000 -0.251) 2.922 11.652 ( -3.023 0.000 1.877) 3.558 11.936 ( 2.352 0.000 3.073) 3.870 14.025 ( 4.668 0.000 -0.697) 4.720 14.116 ( 5.085 0.000 0.594) 5.119 14.733 ( 2.899 0.000 1.190) 3.134 14.905 ( -1.311 0.000 -1.183) 1.766 15.569 ( -4.094 0.000 -0.822) 4.176 15.659 ( -3.092 0.000 0.004) 3.092 15.747 ( 2.111 0.000 3.031) 3.693 16.022 ( -0.934 0.000 3.944) 4.054 16.087 ( 0.398 0.000 -4.595) 4.612 16.100 ( 0.500 0.000 -1.497) 1.578 16.410 ( -4.412 0.000 -4.890) 6.586 17.063 ( -0.954 0.000 3.352) 3.485 17.531 ( 1.574 0.000 -1.784) 2.379 17.776 ( 0.901 0.000 -0.346) 0.965 25.017 ( -0.021 0.000 -0.290) 0.291 25.030 ( 0.487 0.000 0.332) 0.589 25.509 ( -1.367 0.000 -1.689) 2.173 25.610 ( -0.466 0.000 1.143) 1.235 26.460 ( 2.212 0.000 0.836) 2.365 26.469 ( 0.009 0.000 -0.494) 0.494 28.924 ( -2.243 0.000 -1.916) 2.950 29.005 ( -0.551 0.000 1.058) 1.193 29.571 ( -2.538 0.000 -6.713) 7.177 30.275 ( 5.755 0.000 13.918) 15.061 30.943 ( 1.914 0.000 -5.407) 5.735 31.429 ( 9.672 0.000 -0.069) 9.672 32.846 ( -4.041 0.000 -3.950) 5.651 32.949 ( 0.171 0.000 -0.104) 0.200 32.960 ( -0.775 0.000 -0.238) 0.811 33.051 ( -0.602 0.000 3.836) 3.883 33.446 ( 5.793 0.000 -2.723) 6.401 33.902 ( 1.801 0.000 -1.169) 2.147 34.151 ( -6.681 0.000 -3.328) 7.464 34.844 ( -0.111 0.000 4.719) 4.720 42.307 ( -0.191 0.000 -0.720) 0.744 42.395 ( 0.667 0.000 0.778) 1.025 43.353 ( 0.295 0.000 -0.304) 0.424 43.557 ( 0.584 0.000 0.010) 0.584 50.733 ( -1.683 0.000 -4.272) 4.591 51.018 ( 3.006 0.000 4.655) 5.541 55.506 ( -5.669 0.000 -25.713) 26.330 59.780 ( -19.098 0.000 12.006) 22.558 ======================= Grid point 5 (6/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 -0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.855 ( 0.000 0.000 0.000) 0.000 2.443 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 -0.000) 0.000 2.484 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.895 ( 0.000 0.000 -0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.190 ( 0.000 0.000 0.000) 0.000 3.212 ( -0.000 0.000 -0.000) 0.000 3.434 ( -0.000 0.000 -0.000) 0.000 3.449 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.655 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.966 ( 0.000 0.000 -0.000) 0.000 4.272 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.484 ( 0.000 0.000 -0.000) 0.000 4.652 ( 0.000 0.000 -0.000) 0.000 4.700 ( -0.000 0.000 0.000) 0.000 4.912 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.298 ( 0.000 0.000 -0.000) 0.000 5.342 ( 0.000 0.000 -0.000) 0.000 5.348 ( 0.000 0.000 0.000) 0.000 5.437 ( 0.000 0.000 -0.000) 0.000 5.621 ( -0.000 0.000 0.000) 0.000 6.001 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 -0.000) 0.000 6.892 ( 0.000 0.000 0.000) 0.000 6.936 ( 0.000 0.000 -0.000) 0.000 7.098 ( 0.000 0.000 0.000) 0.000 7.411 ( 0.000 0.000 0.000) 0.000 7.480 ( 0.000 0.000 0.000) 0.000 7.530 ( 0.000 0.000 -0.000) 0.000 7.736 ( 0.000 0.000 -0.000) 0.000 7.822 ( -0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 -0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.617 ( 0.000 0.000 -0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.899 ( 0.000 0.000 0.000) 0.000 11.293 ( 0.000 0.000 0.000) 0.000 11.545 ( -0.000 0.000 0.000) 0.000 11.572 ( 0.000 0.000 0.000) 0.000 11.610 ( 0.000 0.000 -0.000) 0.000 11.628 ( 0.000 0.000 0.000) 0.000 11.975 ( 0.000 0.000 -0.000) 0.000 14.069 ( 0.000 0.000 0.000) 0.000 14.168 ( 0.000 0.000 0.000) 0.000 14.763 ( 0.000 0.000 0.000) 0.000 14.886 ( 0.000 0.000 0.000) 0.000 15.523 ( 0.000 0.000 0.000) 0.000 15.628 ( 0.000 0.000 0.000) 0.000 15.787 ( 0.000 0.000 0.000) 0.000 16.043 ( 0.000 0.000 0.000) 0.000 16.057 ( 0.000 0.000 -0.000) 0.000 16.100 ( -0.000 0.000 -0.000) 0.000 16.341 ( 0.000 0.000 0.000) 0.000 17.070 ( 0.000 0.000 0.000) 0.000 17.539 ( 0.000 0.000 0.000) 0.000 17.783 ( 0.000 0.000 0.000) 0.000 25.015 ( 0.000 0.000 -0.000) 0.000 25.036 ( 0.000 0.000 -0.000) 0.000 25.487 ( 0.000 0.000 0.000) 0.000 25.610 ( 0.000 0.000 0.000) 0.000 26.467 ( 0.000 0.000 0.000) 0.000 26.486 ( 0.000 0.000 0.000) 0.000 28.894 ( 0.000 0.000 -0.000) 0.000 29.003 ( 0.000 0.000 0.000) 0.000 29.518 ( 0.000 0.000 -0.000) 0.000 30.391 ( 0.000 0.000 -0.000) 0.000 30.935 ( 0.000 0.000 0.000) 0.000 31.525 ( 0.000 0.000 0.000) 0.000 32.785 ( 0.000 0.000 -0.000) 0.000 32.950 ( 0.000 0.000 0.000) 0.000 32.955 ( 0.000 0.000 -0.000) 0.000 33.063 ( 0.000 0.000 0.000) 0.000 33.498 ( 0.000 0.000 0.000) 0.000 33.914 ( 0.000 0.000 0.000) 0.000 34.062 ( 0.000 0.000 -0.000) 0.000 34.865 ( 0.000 0.000 0.000) 0.000 42.302 ( 0.000 0.000 0.000) 0.000 42.405 ( 0.000 0.000 -0.000) 0.000 43.354 ( 0.000 0.000 0.000) 0.000 43.563 ( 0.000 0.000 0.000) 0.000 50.697 ( 0.000 0.000 0.000) 0.000 51.067 ( 0.000 0.000 -0.000) 0.000 55.341 ( 0.000 0.000 0.000) 0.000 59.656 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 30.221 0.000) 30.221 0.755 ( 0.000 36.099 0.000) 36.099 1.205 ( 0.000 54.623 0.000) 54.623 1.767 ( 0.000 4.551 0.000) 4.551 2.074 ( 0.000 0.988 0.000) 0.988 2.739 ( 0.000 16.999 0.000) 16.999 2.790 ( 0.000 -2.974 0.000) 2.974 2.907 ( 0.000 11.028 0.000) 11.028 2.998 ( 0.000 4.217 0.000) 4.217 3.056 ( 0.000 -5.576 0.000) 5.576 3.473 ( 0.000 0.695 0.000) 0.695 3.681 ( 0.000 5.778 0.000) 5.778 3.703 ( 0.000 -2.885 0.000) 2.885 3.896 ( 0.000 -11.918 0.000) 11.918 4.063 ( 0.000 -1.084 0.000) 1.084 4.083 ( 0.000 18.219 0.000) 18.219 4.137 ( 0.000 4.602 0.000) 4.602 4.401 ( 0.000 1.355 0.000) 1.355 4.501 ( 0.000 -3.246 0.000) 3.246 4.595 ( 0.000 1.812 0.000) 1.812 4.640 ( 0.000 -0.825 0.000) 0.825 4.700 ( 0.000 -0.961 0.000) 0.961 4.856 ( 0.000 9.777 0.000) 9.777 4.971 ( 0.000 -6.258 0.000) 6.258 5.081 ( 0.000 1.484 0.000) 1.484 5.302 ( 0.000 -7.197 0.000) 7.197 5.329 ( 0.000 -8.571 0.000) 8.571 5.483 ( 0.000 6.404 0.000) 6.404 5.596 ( 0.000 -1.038 0.000) 1.038 5.812 ( 0.000 -1.428 0.000) 1.428 5.942 ( 0.000 -4.280 0.000) 4.280 6.199 ( 0.000 -1.542 0.000) 1.542 6.482 ( 0.000 1.004 0.000) 1.004 6.503 ( 0.000 7.552 0.000) 7.552 6.590 ( 0.000 -5.280 0.000) 5.280 6.907 ( 0.000 -9.210 0.000) 9.210 6.939 ( 0.000 -7.390 0.000) 7.390 7.104 ( 0.000 -11.171 0.000) 11.171 7.108 ( 0.000 -2.419 0.000) 2.419 7.187 ( 0.000 -3.977 0.000) 3.977 7.192 ( 0.000 -11.390 0.000) 11.390 7.353 ( 0.000 0.679 0.000) 0.679 7.505 ( 0.000 -1.423 0.000) 1.423 7.690 ( 0.000 -2.711 0.000) 2.711 7.886 ( 0.000 10.178 0.000) 10.178 8.403 ( 0.000 7.093 0.000) 7.093 8.495 ( 0.000 21.017 0.000) 21.017 9.793 ( 0.000 -10.458 0.000) 10.458 11.556 ( 0.000 3.446 0.000) 3.446 11.585 ( 0.000 0.188 0.000) 0.188 11.729 ( 0.000 2.001 0.000) 2.001 11.741 ( 0.000 -0.565 0.000) 0.565 11.789 ( 0.000 -0.625 0.000) 0.625 12.109 ( 0.000 14.303 0.000) 14.303 14.000 ( 0.000 -13.419 0.000) 13.419 14.002 ( 0.000 24.964 0.000) 24.964 14.133 ( 0.000 -9.505 0.000) 9.505 15.432 ( 0.000 -6.794 0.000) 6.794 15.547 ( 0.000 -8.179 0.000) 8.179 15.926 ( 0.000 -3.250 0.000) 3.250 16.019 ( 0.000 9.164 0.000) 9.164 16.031 ( 0.000 0.805 0.000) 0.805 16.088 ( 0.000 8.097 0.000) 8.097 16.123 ( 0.000 -4.366 0.000) 4.366 16.696 ( 0.000 6.984 0.000) 6.984 17.092 ( 0.000 3.374 0.000) 3.374 17.580 ( 0.000 -0.355 0.000) 0.355 18.016 ( 0.000 -5.278 0.000) 5.278 25.257 ( 0.000 20.592 0.000) 20.592 25.528 ( 0.000 3.520 0.000) 3.520 25.580 ( 0.000 4.613 0.000) 4.613 26.370 ( 0.000 -3.609 0.000) 3.609 26.415 ( 0.000 -2.909 0.000) 2.909 28.532 ( 0.000 -21.755 0.000) 21.755 28.669 ( 0.000 2.026 0.000) 2.026 29.163 ( 0.000 -4.990 0.000) 4.990 29.399 ( 0.000 18.277 0.000) 18.277 29.657 ( 0.000 7.762 0.000) 7.762 30.548 ( 0.000 -4.011 0.000) 4.011 30.992 ( 0.000 -6.703 0.000) 6.703 32.831 ( 0.000 0.384 0.000) 0.384 32.917 ( 0.000 -0.652 0.000) 0.652 33.016 ( 0.000 2.461 0.000) 2.461 33.156 ( 0.000 4.473 0.000) 4.473 33.332 ( 0.000 -0.688 0.000) 0.688 33.565 ( 0.000 3.687 0.000) 3.687 33.849 ( 0.000 -3.526 0.000) 3.526 34.545 ( 0.000 -5.986 0.000) 5.986 42.432 ( 0.000 6.360 0.000) 6.360 42.821 ( 0.000 2.821 0.000) 2.821 43.290 ( 0.000 -3.131 0.000) 3.131 43.394 ( 0.000 -3.042 0.000) 3.042 51.476 ( 0.000 34.425 0.000) 34.425 53.067 ( 0.000 11.450 0.000) 11.450 55.322 ( 0.000 -11.914 0.000) 11.914 57.652 ( 0.000 -31.923 0.000) 31.923 ======================= Grid point 12 (8/104) ======================= q-point: ( 0.10 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 14.172 22.913 1.803) 27.002 0.929 ( 15.687 23.065 14.227) 31.313 1.579 ( 21.252 40.362 16.510) 48.511 1.998 ( 14.482 3.978 8.961) 17.488 2.068 ( 3.005 -0.298 -2.709) 4.057 2.724 ( -4.279 -1.659 -0.478) 4.614 2.753 ( -0.376 14.166 2.660) 14.418 2.890 ( -1.497 9.600 -1.300) 9.802 3.032 ( 1.770 0.343 -1.750) 2.512 3.085 ( 1.741 1.395 0.566) 2.302 3.363 ( -7.466 1.586 -7.792) 10.907 3.455 ( -9.101 5.539 -4.507) 11.568 3.758 ( -6.094 -4.033 -4.495) 8.579 3.928 ( 4.931 -0.994 6.497) 8.217 4.005 ( -5.545 0.574 -2.714) 6.200 4.055 ( -6.337 7.250 -1.549) 9.754 4.187 ( 0.233 -0.412 1.401) 1.479 4.369 ( -5.519 -0.264 0.213) 5.529 4.497 ( -0.545 -2.002 -0.587) 2.157 4.575 ( -2.026 0.992 -1.639) 2.788 4.624 ( 1.746 1.809 -4.545) 5.194 4.684 ( -0.216 -5.235 -4.858) 7.145 4.822 ( 1.173 12.523 1.734) 12.697 5.010 ( 1.957 -4.612 3.464) 6.091 5.120 ( 1.224 -0.356 5.465) 5.612 5.201 ( -3.690 -3.330 0.938) 5.058 5.427 ( -1.460 7.598 -5.056) 9.243 5.478 ( -0.970 -13.000 8.102) 15.349 5.551 ( -5.363 -1.272 2.856) 6.207 5.790 ( -2.653 -1.744 -0.931) 3.308 6.008 ( -2.656 -10.975 10.941) 15.723 6.212 ( -0.118 -4.469 2.064) 4.924 6.466 ( -1.492 2.986 0.750) 3.421 6.499 ( -1.190 -0.968 -0.061) 1.535 6.566 ( 1.184 -1.851 -3.005) 3.723 6.893 ( -2.214 -9.195 -1.445) 9.568 6.980 ( -1.678 -4.998 0.358) 5.284 7.070 ( 3.302 -4.095 0.497) 5.284 7.144 ( 2.475 -10.891 1.832) 11.318 7.199 ( -1.406 -12.816 6.563) 14.467 7.303 ( 7.124 -4.215 -0.024) 8.277 7.398 ( 6.666 -0.089 -3.787) 7.667 7.545 ( 5.971 -0.433 -3.859) 7.123 7.690 ( -0.189 -0.979 0.909) 1.349 8.005 ( 8.699 8.913 6.044) 13.844 8.337 ( -2.572 7.080 -4.197) 8.623 8.522 ( -1.280 19.836 2.670) 20.055 9.363 ( -26.702 22.768 -7.646) 35.914 11.536 ( -1.904 2.666 0.062) 3.277 11.566 ( -1.935 1.084 0.107) 2.221 11.713 ( -1.406 2.899 1.554) 3.577 11.749 ( 0.265 -0.042 0.713) 0.762 11.778 ( -0.987 0.184 0.178) 1.020 11.969 ( -6.597 10.976 -5.344) 13.876 13.953 ( -2.149 12.853 -0.060) 13.032 13.968 ( -3.045 -3.119 1.589) 4.639 14.221 ( 7.984 -1.176 -0.697) 8.100 15.055 ( -14.559 7.348 -12.747) 20.698 15.484 ( -0.470 -7.331 0.319) 7.353 15.824 ( -3.738 -3.011 -2.906) 5.611 15.948 ( -4.744 0.121 -1.305) 4.922 16.022 ( 0.280 -0.796 -2.808) 2.933 16.152 ( 3.309 4.322 -2.647) 6.053 16.198 ( 4.145 2.421 -2.869) 5.592 16.890 ( 5.622 1.417 12.584) 13.855 17.007 ( -6.236 4.308 -3.693) 8.431 17.563 ( -0.566 -0.304 -1.920) 2.025 17.854 ( -4.512 7.226 -6.139) 10.501 25.247 ( -1.356 19.419 0.905) 19.488 25.555 ( -0.708 4.898 1.812) 5.271 25.575 ( 0.139 5.496 0.851) 5.563 26.210 ( -32.737 28.412 -15.959) 46.191 26.412 ( -0.648 -0.750 -0.105) 0.997 26.548 ( -31.315 41.872 -15.831) 54.631 28.609 ( 1.956 -21.325 4.697) 21.924 29.111 ( -4.456 -7.890 -5.061) 10.379 29.470 ( 6.910 17.558 2.156) 18.991 30.255 ( 11.632 -2.737 -29.871) 32.172 30.675 ( 16.908 -7.675 -6.084) 19.539 30.933 ( 4.537 -2.462 -9.855) 11.126 32.858 ( 1.042 0.757 4.281) 4.470 32.979 ( -0.120 3.393 0.357) 3.414 33.040 ( -0.357 3.907 1.029) 4.056 33.326 ( 0.788 -0.760 -2.683) 2.898 33.493 ( -4.779 3.521 -3.423) 6.852 33.728 ( 13.987 -10.202 -8.011) 19.076 34.103 ( 7.597 -28.014 44.565) 53.184 34.509 ( -2.981 -6.197 -1.832) 7.117 42.424 ( -0.501 6.401 -0.662) 6.455 42.575 ( -8.713 15.093 -4.833) 18.085 43.293 ( 0.591 -3.240 -0.654) 3.358 43.448 ( 3.451 -4.739 -2.352) 6.317 51.372 ( -12.425 41.716 -10.775) 44.840 51.530 ( -21.072 56.022 -14.391) 61.560 57.339 ( -19.597 -30.330 -24.731) 43.768 58.426 ( 54.303 -136.094 126.540) 193.605 ======================= Grid point 13 (9/104) ======================= q-point: ( 0.20 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( 20.284 6.235 6.396) 22.164 1.425 ( 18.830 11.604 19.274) 29.338 1.995 ( 6.802 8.323 4.937) 11.828 2.057 ( 2.595 3.032 -0.953) 4.103 2.371 ( 11.267 5.283 4.344) 13.181 2.711 ( 3.227 7.165 6.249) 10.040 2.802 ( -4.711 10.886 12.378) 17.144 2.820 ( 0.571 7.455 -8.695) 11.467 3.029 ( -4.491 4.278 -6.597) 9.055 3.047 ( -0.064 1.033 -3.028) 3.201 3.150 ( -4.457 3.924 -6.685) 8.942 3.276 ( -6.232 9.867 -1.571) 11.776 3.553 ( -12.196 3.509 -3.889) 13.273 3.754 ( -12.382 7.999 -3.912) 15.251 3.869 ( -8.283 6.249 -2.449) 10.661 4.064 ( 0.998 -1.015 -0.731) 1.600 4.174 ( 0.076 -8.481 -1.832) 8.677 4.212 ( -10.201 -1.813 -2.328) 10.619 4.416 ( -8.640 7.755 3.287) 12.066 4.543 ( 2.357 -4.958 -8.392) 10.028 4.609 ( -2.596 -4.097 3.600) 6.040 4.670 ( 3.054 5.189 -0.683) 6.060 4.884 ( 2.467 13.057 0.263) 13.291 5.091 ( 3.020 -2.871 3.901) 5.708 5.142 ( -3.074 -3.419 -0.945) 4.694 5.209 ( 0.785 -1.288 7.020) 7.181 5.371 ( 0.515 6.363 -3.365) 7.216 5.457 ( -5.351 -7.247 0.682) 9.034 5.472 ( -4.063 3.803 0.570) 5.594 5.705 ( -5.911 0.997 0.267) 6.000 5.935 ( -13.932 -9.059 7.946) 18.420 6.219 ( -1.239 -8.028 2.219) 8.420 6.430 ( -3.377 -6.358 -3.052) 7.819 6.458 ( -2.533 -0.313 2.570) 3.623 6.626 ( 5.879 -2.046 -0.347) 6.234 6.841 ( -2.400 -5.254 1.082) 5.877 6.891 ( -4.348 -2.933 -2.423) 5.778 7.111 ( -0.490 -6.316 -0.969) 6.408 7.198 ( 0.607 -12.505 2.801) 12.830 7.265 ( 2.764 -8.791 4.676) 10.333 7.425 ( 5.278 -3.993 2.009) 6.916 7.517 ( 9.290 -1.772 -3.517) 10.090 7.588 ( 2.775 1.752 -5.977) 6.819 7.748 ( 5.265 0.814 1.655) 5.579 8.217 ( 5.774 9.201 3.018) 11.274 8.336 ( 9.186 2.050 -0.266) 9.416 8.491 ( -0.716 16.679 -1.453) 16.758 9.002 ( -11.035 22.854 1.202) 25.407 11.510 ( -0.607 1.426 0.452) 1.615 11.525 ( -1.929 1.232 -0.911) 2.463 11.708 ( -1.252 1.371 1.808) 2.592 11.722 ( -3.472 -0.237 -0.033) 3.480 11.802 ( 0.957 2.830 2.526) 3.912 11.828 ( -3.813 4.991 -3.610) 7.245 13.958 ( 3.219 7.854 -1.200) 8.573 13.966 ( 1.572 -0.007 1.218) 1.988 14.361 ( 6.078 -3.266 0.920) 6.961 14.838 ( -4.089 -7.282 -4.987) 9.727 15.496 ( 1.188 -6.210 0.664) 6.357 15.710 ( -6.971 -8.181 -0.350) 10.754 15.843 ( -4.426 -1.142 -0.828) 4.646 16.020 ( 1.546 0.740 -1.894) 2.554 16.164 ( 0.940 5.419 -2.740) 6.144 16.223 ( 0.927 4.366 -1.245) 4.633 16.839 ( -6.502 6.554 -5.757) 10.880 17.057 ( 2.126 5.375 9.186) 10.853 17.536 ( 0.380 -0.364 -3.391) 3.432 17.794 ( 0.532 5.557 -2.362) 6.062 25.231 ( -1.311 18.125 1.313) 18.220 25.398 ( -11.861 23.872 -3.141) 26.841 25.616 ( 0.466 4.815 1.325) 5.016 25.699 ( -3.920 16.003 -4.682) 17.129 26.390 ( -0.033 2.360 -0.395) 2.393 26.444 ( 0.446 -1.414 0.265) 1.507 28.700 ( 1.394 -20.871 6.803) 21.996 28.936 ( -7.549 -15.188 -6.979) 18.341 29.701 ( 12.887 14.438 7.015) 20.585 30.097 ( -0.800 8.096 -17.186) 19.014 30.858 ( 11.114 -5.292 -10.627) 16.262 30.989 ( 7.508 -4.387 -2.392) 9.018 32.926 ( 1.275 2.072 4.831) 5.409 32.976 ( -0.220 3.631 -0.105) 3.639 33.043 ( -0.965 4.055 2.716) 4.975 33.287 ( -4.404 1.719 -5.581) 7.314 33.358 ( -1.224 1.557 -4.928) 5.311 33.800 ( 4.924 -3.807 -5.315) 8.185 34.405 ( -5.567 -6.592 -3.440) 9.289 34.471 ( 1.741 -20.254 20.940) 29.185 42.407 ( -0.534 6.396 -0.893) 6.480 42.476 ( -1.523 11.278 -0.466) 11.390 43.299 ( 0.818 -3.571 -0.888) 3.770 43.477 ( 1.779 -4.279 -1.122) 4.767 51.165 ( -2.540 38.790 0.123) 38.873 51.339 ( -4.164 37.464 -3.839) 37.890 56.587 ( -25.333 -25.842 -41.197) 54.834 59.423 ( -15.444 -89.175 59.370) 108.239 ======================= Grid point 14 (10/104) ======================= q-point: ( 0.30 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 8.583 1.302 7.202) 11.280 1.869 ( 10.964 10.875 8.783) 17.766 2.002 ( -2.900 -5.709 1.720) 6.630 2.173 ( 10.096 -2.593 4.280) 11.268 2.459 ( -3.126 4.219 -6.065) 8.023 2.521 ( -13.331 -1.070 -12.282) 18.158 2.654 ( -5.732 2.490 -6.026) 8.681 2.846 ( -5.339 4.607 -5.514) 8.952 2.928 ( -1.823 1.858 0.577) 2.666 3.070 ( 2.404 9.795 -1.036) 10.139 3.156 ( -3.709 17.865 0.804) 18.263 3.237 ( -2.833 12.755 0.183) 13.067 3.377 ( 5.245 12.437 16.056) 20.976 3.571 ( -5.220 7.688 0.858) 9.333 3.681 ( -9.596 3.234 -4.763) 11.191 3.932 ( -9.368 3.927 -5.380) 11.495 4.076 ( -1.277 0.142 -0.072) 1.287 4.171 ( -1.489 -6.107 2.218) 6.666 4.271 ( -9.831 8.526 0.136) 13.014 4.467 ( -2.743 -6.200 -2.711) 7.301 4.650 ( 1.396 -0.187 2.869) 3.196 4.733 ( 4.298 5.130 -0.992) 6.765 4.904 ( 0.960 12.586 -1.717) 12.739 5.015 ( -8.612 -1.829 -1.902) 9.007 5.188 ( 2.738 0.837 1.464) 3.216 5.243 ( -5.208 1.027 3.148) 6.172 5.313 ( -4.492 2.091 -1.120) 5.080 5.382 ( -0.057 -0.230 -1.542) 1.560 5.432 ( -0.455 5.783 -0.377) 5.813 5.591 ( -5.786 0.539 -0.126) 5.812 5.735 ( -12.529 -1.541 6.890) 14.381 6.169 ( -7.813 -9.954 0.205) 12.656 6.326 ( -2.381 -4.872 -1.071) 5.528 6.459 ( 1.233 -1.710 0.299) 2.129 6.710 ( 2.355 -5.577 -0.124) 6.055 6.825 ( 1.738 -1.541 -3.010) 3.802 6.858 ( 0.701 -3.409 3.373) 4.847 7.083 ( -0.715 -6.153 -2.132) 6.551 7.233 ( 1.394 -14.133 1.487) 14.279 7.339 ( 1.464 -5.447 2.198) 6.054 7.532 ( 2.709 -3.051 1.633) 4.395 7.579 ( 3.143 2.607 -0.425) 4.106 7.672 ( 10.213 -5.871 -5.110) 12.841 7.835 ( 1.512 2.137 2.208) 3.424 8.350 ( 9.140 -0.781 -1.488) 9.293 8.476 ( 3.059 12.447 -0.618) 12.832 8.605 ( 12.730 3.929 2.297) 13.519 8.871 ( -5.955 14.774 1.797) 16.030 11.480 ( -1.790 1.887 -2.087) 3.335 11.524 ( 0.846 0.325 1.232) 1.529 11.631 ( -4.937 2.255 -1.265) 5.573 11.689 ( -2.642 0.457 1.113) 2.903 11.729 ( -2.624 2.211 -1.303) 3.670 11.875 ( 1.613 3.518 4.486) 5.925 14.024 ( 4.680 5.894 -0.353) 7.534 14.051 ( 6.600 -0.512 -0.593) 6.646 14.431 ( 0.303 -11.476 0.818) 11.510 14.742 ( -3.917 -16.068 -0.954) 16.566 15.513 ( -1.481 -9.249 1.494) 9.485 15.573 ( -7.261 -10.664 -0.328) 12.905 15.816 ( 2.037 4.768 1.737) 5.468 16.039 ( 1.416 2.027 -0.162) 2.478 16.146 ( -0.216 5.456 -2.272) 5.914 16.214 ( -0.534 5.491 -1.273) 5.662 16.673 ( -5.280 8.973 -6.656) 12.357 17.151 ( 0.278 8.811 6.831) 11.152 17.521 ( 1.538 -0.466 -3.533) 3.881 17.792 ( 0.665 2.710 -1.316) 3.085 25.222 ( -1.935 17.085 0.651) 17.207 25.229 ( -3.479 18.381 -1.162) 18.744 25.589 ( -1.763 3.450 -2.398) 4.556 25.669 ( -1.181 6.718 1.843) 7.066 26.409 ( 1.866 0.913 0.366) 2.109 26.458 ( 0.721 -0.963 0.015) 1.204 28.702 ( -6.002 -21.303 -4.550) 22.596 28.804 ( -1.241 -19.911 4.342) 20.417 29.882 ( 0.082 11.663 -8.342) 14.339 30.101 ( 9.972 11.924 11.315) 19.226 30.905 ( 4.961 -4.360 -9.428) 11.511 31.156 ( 11.138 -5.872 -0.480) 12.600 32.957 ( -0.782 2.907 -1.630) 3.424 32.978 ( 0.428 3.213 1.003) 3.393 33.063 ( -1.160 3.917 5.519) 6.866 33.105 ( -6.527 4.850 -4.601) 9.342 33.363 ( 4.619 -0.985 -4.786) 6.724 33.840 ( 3.360 -2.972 -2.576) 5.173 34.250 ( -7.147 -6.638 -4.215) 10.626 34.632 ( 0.762 -13.829 11.184) 17.802 42.389 ( -0.450 6.263 -0.930) 6.347 42.469 ( 0.125 8.763 0.632) 8.787 43.305 ( 0.593 -3.966 -0.705) 4.071 43.497 ( 1.059 -4.315 -0.256) 4.451 51.096 ( -3.525 27.250 -5.457) 28.014 51.324 ( 1.375 38.442 5.259) 38.825 55.798 ( -16.844 -22.047 -40.675) 49.237 59.406 ( -24.096 -62.679 29.280) 73.257 ======================= Grid point 15 (11/104) ======================= q-point: ( 0.40 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 4.094 8.393 3.485) 9.968 1.830 ( -11.442 -4.895 3.767) 13.003 2.015 ( -7.795 -1.034 -20.580) 22.031 2.041 ( -4.793 15.484 -0.440) 16.214 2.439 ( 7.004 -3.214 -0.840) 7.752 2.475 ( -3.116 1.973 1.340) 3.924 2.564 ( 2.901 -1.845 -4.514) 5.674 2.669 ( -3.672 -3.152 6.109) 7.793 2.918 ( -8.235 13.719 -3.736) 16.431 2.932 ( -0.481 -0.496 -1.004) 1.218 3.169 ( 1.618 11.328 0.780) 11.469 3.252 ( 4.557 5.126 5.153) 8.578 3.434 ( -7.308 2.477 -5.452) 9.448 3.476 ( -4.164 -5.274 -2.326) 7.111 3.737 ( -3.733 11.632 4.238) 12.930 3.829 ( 7.203 26.806 12.385) 30.395 4.011 ( -8.735 14.410 -2.669) 17.060 4.120 ( -0.257 4.348 3.227) 5.420 4.194 ( 0.790 -4.816 -0.660) 4.925 4.409 ( -2.351 -5.820 0.170) 6.279 4.657 ( -2.471 5.957 0.687) 6.486 4.784 ( 0.252 -0.653 -1.308) 1.484 4.842 ( -2.465 9.143 -3.727) 10.176 4.942 ( 0.778 9.641 -1.444) 9.780 5.050 ( -3.695 0.756 -4.212) 5.654 5.197 ( -6.401 1.132 1.526) 6.677 5.301 ( 1.517 1.487 1.876) 2.834 5.373 ( 0.067 0.751 -1.701) 1.861 5.434 ( -0.020 4.578 0.033) 4.579 5.494 ( -6.760 -0.132 2.839) 7.333 5.638 ( -2.943 2.281 1.812) 4.141 5.998 ( -7.347 -7.112 -0.820) 10.258 6.318 ( 0.275 -3.851 0.370) 3.878 6.502 ( 2.482 -3.019 0.235) 3.915 6.732 ( 0.187 -5.734 1.560) 5.946 6.835 ( 1.174 -2.825 -2.304) 3.830 6.924 ( 2.989 -4.765 1.789) 5.903 7.043 ( -1.631 -6.183 -1.926) 6.678 7.274 ( 2.057 -14.148 -0.019) 14.296 7.363 ( -0.218 -3.954 1.248) 4.152 7.540 ( 0.190 -0.711 -1.037) 1.272 7.695 ( 6.971 -0.292 -0.130) 6.978 7.789 ( 4.513 -6.900 -0.461) 8.258 7.852 ( -0.844 1.944 1.397) 2.538 8.459 ( 2.729 3.359 -0.026) 4.328 8.570 ( 8.298 2.972 -2.232) 9.092 8.761 ( -1.642 4.736 0.057) 5.013 8.871 ( 6.805 7.351 2.569) 10.342 11.406 ( -3.537 5.001 -2.206) 6.510 11.543 ( 0.342 0.382 0.156) 0.536 11.576 ( -0.305 1.522 0.431) 1.611 11.637 ( -3.006 0.267 0.117) 3.020 11.688 ( -1.944 2.303 0.416) 3.042 11.940 ( 1.381 1.954 3.112) 3.926 14.107 ( 4.238 6.564 -0.597) 7.836 14.176 ( 6.926 -0.706 -0.314) 6.969 14.399 ( -3.528 -20.279 0.149) 20.584 14.675 ( -3.027 -21.067 0.414) 21.287 15.445 ( -4.808 -10.626 -1.307) 11.736 15.484 ( -2.885 -13.154 1.635) 13.565 15.918 ( 4.056 11.222 4.503) 12.754 16.066 ( 0.906 2.569 0.987) 2.898 16.125 ( 0.305 4.598 -1.824) 4.956 16.183 ( -1.122 6.035 -1.964) 6.445 16.532 ( -3.617 10.929 -5.257) 12.656 17.195 ( -0.406 10.336 3.465) 10.908 17.526 ( 1.527 -0.722 -1.960) 2.587 17.791 ( 0.318 1.053 -0.739) 1.325 25.167 ( -1.350 12.462 -0.567) 12.548 25.224 ( -0.306 18.317 0.782) 18.336 25.536 ( -1.580 2.569 -1.652) 3.439 25.660 ( -1.161 4.764 1.119) 5.030 26.448 ( 1.441 -0.378 0.185) 1.501 26.471 ( 0.811 0.112 0.101) 0.825 28.555 ( -4.209 -25.909 -3.728) 26.512 28.834 ( -0.507 -18.219 3.562) 18.571 29.793 ( -1.216 15.496 -5.166) 16.380 30.370 ( 5.336 7.742 11.068) 14.523 30.895 ( 1.800 -4.440 -5.272) 7.123 31.349 ( 8.848 -7.127 -0.051) 11.361 32.872 ( -3.784 2.476 -3.907) 5.976 32.987 ( 0.240 3.370 -0.077) 3.379 33.022 ( -0.824 5.657 -0.247) 5.722 33.097 ( -0.595 4.280 4.003) 5.891 33.422 ( 5.186 -2.139 -2.920) 6.324 33.873 ( 1.839 -2.591 -1.002) 3.332 34.086 ( -6.229 -6.009 -3.220) 9.235 34.718 ( 0.546 -11.389 5.208) 12.535 42.375 ( -0.269 6.224 -0.589) 6.258 42.480 ( 0.298 7.627 0.550) 7.653 43.307 ( 0.221 -4.235 -0.363) 4.256 43.510 ( 0.516 -4.444 0.029) 4.474 50.988 ( -2.492 24.513 -4.111) 24.980 51.406 ( 1.549 35.639 4.386) 35.941 55.288 ( -6.176 -20.512 -24.053) 32.210 59.213 ( -15.330 -52.096 12.391) 55.700 ======================= Grid point 16 (12/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 1.341 -0.000) 1.341 1.821 ( -0.000 -1.131 -0.000) 1.131 1.860 ( -0.000 21.607 0.000) 21.607 1.907 ( 0.000 3.322 0.000) 3.322 2.434 ( -0.000 -2.201 0.000) 2.201 2.440 ( 0.000 0.394 -0.000) 0.394 2.582 ( 0.000 0.222 0.000) 0.222 2.746 ( 0.000 -5.959 -0.000) 5.959 2.837 ( 0.000 11.535 0.000) 11.535 2.922 ( 0.000 -0.502 -0.000) 0.502 3.194 ( 0.000 1.649 0.000) 1.649 3.289 ( 0.000 8.130 -0.000) 8.130 3.379 ( -0.000 -10.214 -0.000) 10.214 3.439 ( 0.000 2.565 -0.000) 2.565 3.657 ( 0.000 14.809 -0.000) 14.809 3.876 ( 0.000 20.403 0.000) 20.403 4.014 ( 0.000 25.874 0.000) 25.874 4.154 ( 0.000 6.113 0.000) 6.113 4.202 ( 0.000 -4.811 0.000) 4.811 4.387 ( 0.000 -5.864 -0.000) 5.864 4.640 ( 0.000 9.639 -0.000) 9.639 4.738 ( 0.000 4.838 -0.000) 4.838 4.787 ( -0.000 10.597 0.000) 10.597 4.938 ( 0.000 2.973 0.000) 2.973 5.042 ( 0.000 -1.682 0.000) 1.682 5.168 ( 0.000 4.218 0.000) 4.218 5.289 ( 0.000 -1.039 0.000) 1.039 5.368 ( 0.000 2.380 -0.000) 2.380 5.431 ( 0.000 6.110 -0.000) 6.110 5.431 ( -0.000 -0.499 0.000) 0.499 5.625 ( -0.000 1.589 0.000) 1.589 5.928 ( 0.000 -5.630 -0.000) 5.630 6.324 ( 0.000 -3.315 0.000) 3.315 6.529 ( 0.000 -2.725 0.000) 2.725 6.746 ( 0.000 -7.691 -0.000) 7.691 6.829 ( 0.000 -2.178 0.000) 2.178 6.989 ( 0.000 -9.797 0.000) 9.797 6.990 ( -0.000 -1.617 -0.000) 1.617 7.295 ( 0.000 -14.148 0.000) 14.148 7.365 ( 0.000 -3.550 -0.000) 3.550 7.537 ( 0.000 -0.364 0.000) 0.364 7.791 ( 0.000 -0.061 -0.000) 0.061 7.795 ( -0.000 -1.588 0.000) 1.588 7.857 ( -0.000 -4.330 -0.000) 4.330 8.481 ( 0.000 4.979 0.000) 4.979 8.676 ( 0.000 -2.139 -0.000) 2.139 8.704 ( -0.000 6.656 0.000) 6.656 8.963 ( 0.000 4.885 0.000) 4.885 11.356 ( 0.000 6.509 0.000) 6.509 11.551 ( -0.000 0.610 0.000) 0.610 11.584 ( 0.000 1.038 0.000) 1.038 11.600 ( 0.000 0.094 -0.000) 0.094 11.669 ( 0.000 2.721 0.000) 2.721 11.969 ( 0.000 1.042 -0.000) 1.042 14.147 ( 0.000 6.972 0.000) 6.972 14.262 ( 0.000 7.913 0.000) 7.913 14.345 ( -0.000 -31.174 0.000) 31.174 14.646 ( 0.000 -23.837 0.000) 23.837 15.390 ( 0.000 -11.338 0.000) 11.338 15.464 ( 0.000 -13.006 0.000) 13.006 15.986 ( 0.000 13.924 0.000) 13.924 16.082 ( 0.000 2.229 0.000) 2.229 16.129 ( 0.000 2.695 0.000) 2.695 16.150 ( -0.000 6.951 -0.000) 6.951 16.469 ( 0.000 11.858 0.000) 11.858 17.206 ( 0.000 10.668 0.000) 10.668 17.532 ( 0.000 -0.856 0.000) 0.856 17.791 ( 0.000 0.522 -0.000) 0.522 25.154 ( 0.000 11.046 -0.000) 11.046 25.225 ( 0.000 18.553 0.000) 18.553 25.513 ( 0.000 2.386 0.000) 2.386 25.654 ( -0.000 3.987 -0.000) 3.987 26.459 ( 0.000 -0.248 0.000) 0.248 26.483 ( 0.000 -0.086 0.000) 0.086 28.498 ( 0.000 -27.372 0.000) 27.372 28.846 ( 0.000 -17.708 -0.000) 17.708 29.757 ( 0.000 16.524 -0.000) 16.524 30.470 ( 0.000 6.618 -0.000) 6.618 30.886 ( 0.000 -4.496 0.000) 4.496 31.437 ( 0.000 -7.846 0.000) 7.846 32.814 ( 0.000 2.696 -0.000) 2.696 32.989 ( 0.000 3.436 -0.000) 3.436 33.017 ( 0.000 5.571 -0.000) 5.571 33.111 ( 0.000 4.366 0.000) 4.366 33.466 ( 0.000 -2.908 0.000) 2.908 33.886 ( 0.000 -2.494 0.000) 2.494 34.004 ( 0.000 -5.385 -0.000) 5.385 34.747 ( 0.000 -10.761 0.000) 10.761 42.370 ( 0.000 6.205 0.000) 6.205 42.485 ( 0.000 7.309 0.000) 7.309 43.308 ( 0.000 -4.320 -0.000) 4.320 43.515 ( 0.000 -4.498 0.000) 4.498 50.945 ( 0.000 23.632 0.000) 23.632 51.442 ( 0.000 34.673 0.000) 34.673 55.124 ( 0.000 -20.317 0.000) 20.317 59.123 ( 0.000 -49.259 0.000) 49.259 ======================= Grid point 22 (13/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( 0.000 29.111 0.000) 29.111 1.502 ( 0.000 34.695 0.000) 34.695 1.928 ( 0.000 10.800 0.000) 10.800 2.084 ( 0.000 16.178 0.000) 16.178 2.274 ( 0.000 25.055 0.000) 25.055 2.761 ( 0.000 1.002 0.000) 1.002 2.895 ( 0.000 -8.564 0.000) 8.564 2.948 ( 0.000 -0.946 0.000) 0.946 3.072 ( 0.000 1.922 0.000) 1.922 3.088 ( 0.000 5.121 0.000) 5.121 3.517 ( 0.000 2.797 0.000) 2.797 3.573 ( 0.000 -7.989 0.000) 7.989 3.712 ( 0.000 -7.133 0.000) 7.133 3.827 ( 0.000 8.626 0.000) 8.626 4.071 ( 0.000 7.832 0.000) 7.832 4.342 ( 0.000 -0.692 0.000) 0.692 4.373 ( 0.000 -3.012 0.000) 3.012 4.435 ( 0.000 11.108 0.000) 11.108 4.528 ( 0.000 4.580 0.000) 4.580 4.621 ( 0.000 2.144 0.000) 2.144 4.661 ( 0.000 4.772 0.000) 4.772 4.687 ( 0.000 11.854 0.000) 11.854 4.985 ( 0.000 10.970 0.000) 10.970 5.050 ( 0.000 5.464 0.000) 5.464 5.058 ( 0.000 -13.688 0.000) 13.688 5.156 ( 0.000 -4.854 0.000) 4.854 5.263 ( 0.000 14.925 0.000) 14.925 5.575 ( 0.000 -0.432 0.000) 0.432 5.617 ( 0.000 5.205 0.000) 5.205 5.787 ( 0.000 -6.190 0.000) 6.190 5.823 ( 0.000 -1.262 0.000) 1.262 6.154 ( 0.000 -4.642 0.000) 4.642 6.391 ( 0.000 -13.075 0.000) 13.075 6.399 ( 0.000 -12.857 0.000) 12.857 6.640 ( 0.000 4.818 0.000) 4.818 6.658 ( 0.000 -13.499 0.000) 13.499 6.753 ( 0.000 -17.464 0.000) 17.464 6.832 ( 0.000 -11.064 0.000) 11.064 6.871 ( 0.000 -6.289 0.000) 6.289 7.113 ( 0.000 -3.539 0.000) 3.539 7.113 ( 0.000 0.353 0.000) 0.353 7.307 ( 0.000 -4.923 0.000) 4.923 7.498 ( 0.000 1.566 0.000) 1.566 7.666 ( 0.000 -1.193 0.000) 1.193 8.158 ( 0.000 14.820 0.000) 14.820 8.609 ( 0.000 12.129 0.000) 12.129 8.792 ( 0.000 5.236 0.000) 5.236 9.522 ( 0.000 -14.490 0.000) 14.490 11.595 ( 0.000 1.671 0.000) 1.671 11.643 ( 0.000 3.008 0.000) 3.008 11.721 ( 0.000 -1.294 0.000) 1.294 11.770 ( 0.000 -1.247 0.000) 1.247 11.927 ( 0.000 18.087 0.000) 18.087 12.482 ( 0.000 20.483 0.000) 20.483 13.599 ( 0.000 -24.067 0.000) 24.067 13.840 ( 0.000 -17.870 0.000) 17.870 14.614 ( 0.000 30.342 0.000) 30.342 15.395 ( 0.000 2.590 0.000) 2.590 15.432 ( 0.000 -2.510 0.000) 2.510 15.822 ( 0.000 -6.315 0.000) 6.315 15.984 ( 0.000 -7.004 0.000) 7.004 16.070 ( 0.000 -4.360 0.000) 4.360 16.082 ( 0.000 2.462 0.000) 2.462 16.202 ( 0.000 2.865 0.000) 2.865 16.933 ( 0.000 14.440 0.000) 14.440 17.210 ( 0.000 7.833 0.000) 7.833 17.554 ( 0.000 -2.524 0.000) 2.524 17.860 ( 0.000 -9.458 0.000) 9.458 25.635 ( 0.000 6.439 0.000) 6.439 25.715 ( 0.000 8.029 0.000) 8.029 25.773 ( 0.000 22.748 0.000) 22.748 26.267 ( 0.000 -6.396 0.000) 6.396 26.379 ( 0.000 3.864 0.000) 3.864 28.040 ( 0.000 -25.441 0.000) 25.441 28.729 ( 0.000 3.650 0.000) 3.650 29.045 ( 0.000 -5.853 0.000) 5.853 29.769 ( 0.000 16.014 0.000) 16.014 29.859 ( 0.000 11.894 0.000) 11.894 30.427 ( 0.000 -7.334 0.000) 7.334 30.794 ( 0.000 -11.876 0.000) 11.876 32.840 ( 0.000 0.483 0.000) 0.483 32.898 ( 0.000 -1.062 0.000) 1.062 33.093 ( 0.000 4.537 0.000) 4.537 33.275 ( 0.000 6.682 0.000) 6.682 33.308 ( 0.000 -1.625 0.000) 1.625 33.685 ( 0.000 7.758 0.000) 7.758 33.745 ( 0.000 -6.310 0.000) 6.310 34.370 ( 0.000 -10.298 0.000) 10.298 42.610 ( 0.000 10.017 0.000) 10.017 42.906 ( 0.000 5.141 0.000) 5.141 43.193 ( 0.000 -6.122 0.000) 6.122 43.303 ( 0.000 -5.528 0.000) 5.528 52.485 ( 0.000 59.770 0.000) 59.770 53.410 ( 0.000 20.792 0.000) 20.792 54.968 ( 0.000 -21.330 0.000) 21.330 56.714 ( 0.000 -55.959 0.000) 55.959 ======================= Grid point 23 (14/104) ======================= q-point: ( 0.10 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 6.356 27.523 0.647) 28.255 1.514 ( 5.594 30.468 0.865) 30.989 2.048 ( 3.586 8.828 2.633) 9.886 2.137 ( 9.323 6.328 -1.666) 11.390 2.422 ( 6.060 26.930 6.023) 28.253 2.610 ( 0.146 -7.236 -6.591) 9.789 2.910 ( -1.055 -6.323 -0.440) 6.426 3.011 ( -8.935 2.460 6.883) 11.544 3.058 ( 1.633 1.879 -3.002) 3.900 3.136 ( 7.877 4.404 4.305) 9.998 3.398 ( -2.260 1.753 -12.576) 12.897 3.576 ( -2.124 3.981 -0.302) 4.522 3.669 ( -2.275 -3.871 -3.018) 5.410 3.900 ( 4.559 1.596 2.735) 5.551 4.079 ( 1.562 9.735 0.060) 9.860 4.264 ( -4.811 2.712 -4.518) 7.135 4.366 ( 0.210 2.887 -4.397) 5.264 4.419 ( -3.364 7.193 -0.357) 7.949 4.448 ( -2.441 1.672 -4.296) 5.216 4.602 ( -7.270 15.231 -1.905) 16.984 4.654 ( -3.222 1.107 8.289) 8.962 4.718 ( 2.637 5.826 1.507) 6.570 4.954 ( -0.311 -3.141 1.320) 3.422 5.011 ( -2.545 4.050 0.336) 4.795 5.123 ( 0.548 0.783 4.600) 4.698 5.136 ( 0.027 -5.861 2.090) 6.222 5.342 ( 3.297 11.608 5.909) 13.436 5.557 ( -1.932 0.291 1.590) 2.519 5.583 ( -2.399 6.073 -2.103) 6.860 5.784 ( -6.126 -2.492 3.269) 7.377 5.798 ( -1.149 -6.258 2.314) 6.770 6.137 ( -2.240 -5.065 1.338) 5.698 6.303 ( -3.301 -13.424 -3.145) 14.177 6.450 ( 2.292 -13.349 -0.485) 13.553 6.519 ( -3.754 -1.959 -3.727) 5.642 6.717 ( -0.423 -12.502 -2.310) 12.720 6.755 ( 0.773 -12.120 0.866) 12.176 6.847 ( -0.472 -10.871 4.180) 11.656 6.960 ( 4.522 -7.016 3.261) 8.961 7.017 ( -2.011 -2.586 1.620) 3.654 7.262 ( 8.352 -0.335 -1.041) 8.423 7.362 ( 7.375 -3.136 -4.745) 9.313 7.543 ( 5.405 1.052 -1.413) 5.685 7.680 ( 1.256 -0.910 0.849) 1.768 8.237 ( 6.806 12.565 3.598) 14.736 8.525 ( -4.665 10.665 -5.493) 12.871 8.813 ( -2.061 6.164 5.252) 8.356 9.414 ( -10.087 -9.379 -0.963) 13.807 11.584 ( -0.949 2.280 -0.293) 2.487 11.626 ( -1.956 3.094 0.402) 3.682 11.719 ( -0.246 -1.293 -0.063) 1.317 11.755 ( -1.686 -0.958 0.358) 1.972 11.952 ( 0.828 18.224 3.490) 18.574 12.335 ( -10.465 21.796 -6.286) 24.982 13.629 ( 1.485 -23.104 2.810) 23.322 13.830 ( -0.594 -18.051 -0.746) 18.076 14.611 ( -2.394 26.692 3.417) 27.016 15.175 ( -18.683 5.095 -4.926) 19.982 15.409 ( 0.200 -0.375 -0.422) 0.599 15.701 ( -10.677 -8.099 -0.028) 13.401 15.871 ( -5.731 -5.369 -1.500) 7.995 16.061 ( 4.009 4.083 -6.963) 9.013 16.173 ( 4.609 -3.532 1.585) 6.019 16.252 ( 4.170 1.442 -3.599) 5.693 17.044 ( 6.013 11.085 6.375) 14.131 17.147 ( -4.370 8.968 -2.389) 10.258 17.542 ( -0.314 -1.933 -1.725) 2.610 17.849 ( 0.903 -5.622 -3.317) 6.590 25.619 ( -1.308 9.351 0.056) 9.442 25.701 ( -1.295 8.019 -0.183) 8.125 25.804 ( -0.123 18.583 5.091) 19.268 26.223 ( -4.341 -5.364 -1.631) 7.091 26.395 ( 1.162 4.676 1.188) 4.963 27.575 ( -52.844 33.220 -22.452) 66.334 28.142 ( -3.340 -20.861 3.875) 21.479 28.900 ( -11.123 -11.719 -9.132) 18.559 29.829 ( 6.247 16.440 0.490) 17.594 30.221 ( 15.451 -0.123 -11.484) 19.252 30.529 ( 12.410 -6.171 -0.750) 13.880 30.802 ( 4.744 -9.383 -6.842) 12.545 32.886 ( 2.471 2.007 5.361) 6.235 33.063 ( 1.500 3.358 3.397) 5.006 33.114 ( 1.587 2.116 2.852) 3.890 33.298 ( 0.601 -1.896 -1.776) 2.667 33.462 ( 14.259 -6.673 8.983) 18.126 33.626 ( -3.935 7.465 -3.530) 9.147 33.790 ( 0.815 -8.665 11.675) 14.562 34.329 ( -3.208 -10.609 -2.490) 11.360 42.602 ( -0.530 10.040 -0.478) 10.065 42.820 ( -5.226 9.418 -2.654) 11.093 43.193 ( 0.241 -6.278 -0.602) 6.311 43.327 ( 1.997 -6.637 -0.515) 6.950 52.381 ( -7.481 57.996 -7.200) 58.919 52.743 ( -24.639 53.794 -13.533) 60.696 56.256 ( 47.025 -75.683 65.525) 110.602 56.463 ( -13.472 -54.511 -16.566) 58.543 ======================= Grid point 24 (15/104) ======================= q-point: ( 0.20 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.474 ( 5.806 20.863 5.863) 22.435 1.771 ( 14.778 19.182 7.798) 25.439 2.015 ( -0.916 4.242 -5.620) 7.101 2.300 ( -0.738 8.808 -4.848) 10.081 2.409 ( 6.320 -0.126 -1.536) 6.506 2.736 ( 4.825 -5.999 -3.817) 8.593 2.849 ( -12.564 0.102 1.645) 12.672 2.903 ( -2.389 -0.318 -2.789) 3.686 2.988 ( -5.248 -7.865 0.708) 9.481 3.251 ( 3.470 6.455 -12.771) 14.725 3.376 ( 7.080 13.405 8.025) 17.153 3.528 ( 0.245 11.763 -0.273) 11.768 3.590 ( -3.609 6.277 -1.181) 7.336 3.976 ( 0.123 -0.301 1.030) 1.080 4.091 ( -2.636 5.159 -8.821) 10.553 4.152 ( 0.435 18.377 5.221) 19.109 4.217 ( -10.581 15.398 -7.144) 20.002 4.314 ( -6.576 19.003 -0.908) 20.129 4.371 ( 0.721 -8.356 -4.784) 9.656 4.530 ( -0.041 -0.458 1.095) 1.188 4.653 ( -5.357 9.997 6.279) 12.964 4.775 ( 2.065 3.022 2.601) 4.491 4.904 ( -6.202 -8.642 4.718) 11.637 5.006 ( -0.611 -3.676 3.268) 4.956 5.186 ( 2.239 2.802 4.486) 5.744 5.226 ( 5.116 3.865 2.011) 6.720 5.428 ( -1.680 2.662 5.745) 6.551 5.508 ( -4.523 7.796 2.090) 9.252 5.543 ( -1.381 1.944 1.130) 2.639 5.668 ( -7.543 -3.039 2.061) 8.390 5.781 ( -0.148 -1.052 -2.682) 2.885 6.088 ( -5.182 -6.454 2.301) 8.591 6.232 ( -1.854 -9.829 -2.842) 10.398 6.420 ( -0.177 -10.513 -6.153) 12.183 6.513 ( 1.406 -6.017 2.702) 6.744 6.672 ( -1.476 -18.197 -2.745) 18.462 6.754 ( -1.535 -6.241 3.355) 7.250 6.877 ( 0.349 -10.697 1.961) 10.881 6.956 ( -1.279 -6.793 -1.240) 7.023 7.130 ( 5.180 -5.248 4.123) 8.448 7.381 ( 6.044 -0.774 -1.403) 6.253 7.461 ( 7.760 -3.034 -5.078) 9.758 7.622 ( 2.700 1.896 -0.949) 3.433 7.754 ( 6.162 -0.570 1.072) 6.281 8.393 ( -2.583 8.116 -5.857) 10.336 8.451 ( 11.614 8.268 4.028) 14.815 8.788 ( -3.421 8.840 1.438) 9.587 9.201 ( -11.599 -2.837 1.295) 12.011 11.562 ( -0.781 3.123 -0.460) 3.252 11.587 ( -2.423 3.473 0.490) 4.263 11.706 ( -1.544 -1.215 -0.114) 1.968 11.722 ( -1.771 -0.456 0.450) 1.883 11.998 ( -1.512 16.968 3.064) 17.309 12.096 ( -7.435 20.594 -2.886) 22.084 13.684 ( 1.820 -22.872 0.903) 22.962 13.818 ( 0.285 -20.455 0.321) 20.460 14.572 ( -4.922 18.238 1.908) 18.986 14.819 ( -14.508 5.456 -2.789) 15.749 15.369 ( -6.144 -7.532 1.855) 9.895 15.504 ( -9.517 -11.049 -1.051) 14.620 15.828 ( 2.846 2.887 0.251) 4.062 16.080 ( 3.699 4.259 -4.822) 7.422 16.247 ( 1.864 0.563 0.477) 2.004 16.276 ( 1.971 0.673 -1.812) 2.761 17.019 ( -4.127 9.800 -4.968) 11.737 17.223 ( 4.597 9.535 7.192) 12.798 17.518 ( 0.388 -1.264 -3.300) 3.555 17.837 ( 0.814 -1.910 -3.090) 3.723 25.597 ( -1.367 11.414 0.512) 11.507 25.661 ( -2.491 8.077 -1.132) 8.528 25.828 ( -3.583 14.834 5.806) 16.328 26.056 ( -10.392 4.627 -4.108) 12.095 26.438 ( 1.730 6.311 1.989) 6.839 26.740 ( -19.092 31.567 -10.442) 38.341 28.194 ( -0.453 -26.780 9.352) 28.370 28.550 ( -14.904 -20.946 -11.159) 28.025 30.008 ( 10.576 14.228 2.660) 17.927 30.260 ( 3.564 6.848 -8.354) 11.375 30.727 ( 10.697 -6.552 -6.807) 14.272 30.853 ( 6.711 -8.328 -3.913) 11.389 32.994 ( 2.809 4.409 5.651) 7.699 33.069 ( -0.320 4.745 -0.653) 4.800 33.142 ( -1.086 4.740 3.742) 6.136 33.287 ( 0.620 -1.390 -3.428) 3.750 33.465 ( -5.866 8.319 -6.036) 11.834 33.692 ( 6.606 -5.876 -3.031) 9.346 34.040 ( 5.863 -18.385 20.903) 28.449 34.214 ( -5.599 -11.174 -4.246) 13.200 42.585 ( -0.726 10.058 -0.683) 10.107 42.727 ( -2.738 11.799 -1.140) 12.166 43.190 ( 0.278 -6.695 -0.912) 6.763 43.352 ( 1.221 -7.398 -0.432) 7.511 52.148 ( -8.831 54.937 -8.090) 56.227 52.438 ( -7.669 62.193 2.343) 62.707 55.820 ( -22.200 -46.278 -33.502) 61.294 57.386 ( 11.841 -97.045 49.381) 109.528 ======================= Grid point 25 (16/104) ======================= q-point: ( 0.30 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( 4.277 10.549 9.088) 14.566 1.902 ( -3.117 1.308 -5.053) 6.079 2.151 ( 13.063 11.581 8.541) 19.434 2.256 ( 2.521 5.094 -6.008) 8.271 2.454 ( -0.583 -4.110 -5.170) 6.630 2.520 ( -11.519 2.698 -12.770) 17.408 2.669 ( -11.169 -1.466 -5.531) 12.549 2.746 ( -2.086 -11.882 -3.186) 12.477 2.950 ( -4.684 -0.188 5.127) 6.947 3.229 ( -2.211 5.573 -4.661) 7.594 3.353 ( -2.435 4.784 -0.387) 5.382 3.486 ( -5.980 10.264 -0.714) 11.901 3.736 ( 1.319 21.253 2.733) 21.469 3.858 ( -4.241 8.739 -8.385) 12.833 3.980 ( -1.817 14.863 0.263) 14.976 4.062 ( 1.728 -1.886 -2.865) 3.841 4.224 ( -4.441 23.553 4.710) 24.426 4.287 ( 3.932 17.598 6.416) 19.139 4.344 ( 1.550 4.489 1.165) 4.889 4.518 ( -6.107 11.197 2.314) 12.962 4.587 ( -1.393 -2.267 1.939) 3.292 4.856 ( -3.120 -9.963 1.672) 10.573 4.876 ( 4.656 6.591 2.286) 8.387 4.992 ( -3.439 -3.379 2.464) 5.414 5.254 ( -0.739 0.475 3.500) 3.608 5.318 ( 3.387 7.078 0.398) 7.857 5.336 ( -7.827 -6.152 2.976) 10.390 5.493 ( -1.260 13.814 0.474) 13.879 5.512 ( -3.419 2.207 2.437) 4.743 5.589 ( -3.277 1.977 0.995) 3.954 5.757 ( 0.954 2.944 -3.672) 4.802 5.990 ( -6.915 -5.260 0.815) 8.727 6.185 ( -0.518 -7.370 -1.212) 7.487 6.380 ( 1.878 -9.100 -5.756) 10.930 6.556 ( 0.286 -8.488 2.674) 8.904 6.644 ( 0.694 -17.702 -1.125) 17.751 6.768 ( -1.004 -7.534 3.795) 8.496 6.865 ( -1.318 -13.790 -2.874) 14.148 6.960 ( 2.770 -4.454 0.273) 5.253 7.230 ( 2.409 -5.211 2.554) 6.283 7.477 ( 4.905 -2.615 -1.065) 5.660 7.525 ( 4.445 -6.097 -4.575) 8.824 7.660 ( 2.634 4.100 1.138) 5.004 7.863 ( 2.983 0.139 1.684) 3.428 8.371 ( 5.727 3.586 -4.605) 8.177 8.687 ( 9.468 2.899 -0.628) 9.922 8.751 ( 0.182 11.302 1.074) 11.355 9.038 ( -7.829 0.706 3.019) 8.421 11.547 ( -0.924 2.779 -0.107) 2.931 11.564 ( -0.017 3.752 0.244) 3.760 11.660 ( -3.114 -0.090 0.206) 3.122 11.699 ( -1.406 -0.209 -0.112) 1.426 11.879 ( -5.526 14.631 -3.591) 16.047 12.085 ( -1.203 17.546 5.915) 18.555 13.688 ( 0.008 -28.303 -3.489) 28.517 13.867 ( 2.764 -24.503 3.526) 24.910 14.462 ( -5.950 10.512 -2.482) 12.331 14.606 ( -8.846 6.187 2.141) 11.005 15.256 ( -7.054 -13.638 2.784) 15.605 15.329 ( -8.082 -12.534 -1.811) 15.023 15.955 ( 7.140 8.382 4.141) 11.764 16.106 ( 2.778 4.092 -2.436) 5.513 16.251 ( -0.013 3.156 -1.510) 3.498 16.297 ( 0.172 1.770 0.728) 1.922 16.905 ( -2.871 12.307 -5.569) 13.810 17.345 ( 1.854 8.077 6.595) 10.591 17.500 ( 1.502 -0.905 -4.460) 4.792 17.819 ( -0.093 -0.878 -2.299) 2.462 25.553 ( -3.870 11.691 -1.297) 12.383 25.614 ( -0.543 10.495 -0.883) 10.547 25.751 ( -6.205 14.363 -0.087) 15.647 25.885 ( -6.026 11.225 1.944) 12.888 26.486 ( 1.368 7.408 1.779) 7.741 26.522 ( -3.008 12.792 -2.420) 13.362 28.189 ( -11.123 -26.875 -7.319) 29.992 28.280 ( -2.290 -28.802 7.947) 29.966 30.138 ( 2.565 11.980 -5.686) 13.507 30.345 ( 8.210 10.662 6.902) 15.124 30.783 ( 4.457 -6.807 -8.777) 11.968 30.996 ( 9.639 -8.924 -0.018) 13.136 33.034 ( -1.633 3.999 -3.006) 5.262 33.067 ( 1.085 5.105 0.780) 5.277 33.170 ( -0.781 5.724 6.334) 8.573 33.229 ( -3.645 4.635 -2.813) 6.533 33.360 ( 1.390 3.008 -5.180) 6.149 33.763 ( 3.850 -3.724 -1.274) 5.505 34.059 ( -6.491 -11.116 -4.473) 13.627 34.281 ( 3.622 -17.961 12.541) 22.204 42.565 ( -0.664 10.012 -0.658) 10.055 42.692 ( -0.877 11.706 0.025) 11.739 43.186 ( 0.147 -7.224 -0.837) 7.274 43.367 ( 0.679 -7.879 -0.086) 7.909 51.910 ( -8.215 48.232 -8.517) 49.662 52.411 ( -1.989 63.716 7.383) 64.173 55.138 ( -16.392 -40.072 -32.967) 54.418 57.735 ( -7.770 -90.994 27.710) 95.437 ======================= Grid point 26 (17/104) ======================= q-point: ( 0.40 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -8.786 0.496 0.741) 8.831 1.814 ( 6.595 5.614 5.093) 10.047 1.992 ( -8.529 -0.819 -19.966) 21.727 2.324 ( -3.343 6.016 -0.346) 6.891 2.396 ( -0.696 -3.889 -3.451) 5.246 2.477 ( -2.660 -1.900 1.004) 3.420 2.493 ( 3.952 -2.144 -0.982) 4.602 2.664 ( -2.123 -1.728 2.618) 3.788 2.935 ( -0.640 3.585 2.298) 4.307 3.082 ( -6.552 4.925 -0.934) 8.249 3.336 ( -4.394 6.326 -2.804) 8.197 3.406 ( -1.111 8.997 6.834) 11.353 3.570 ( -9.059 19.103 -5.208) 21.775 3.698 ( -1.981 11.708 -10.268) 15.699 4.088 ( 3.125 -1.424 -1.563) 3.773 4.098 ( 2.771 10.971 4.927) 12.341 4.240 ( 1.401 19.256 2.945) 19.530 4.282 ( -1.543 -0.840 0.707) 1.894 4.403 ( -7.035 17.166 2.430) 18.710 4.499 ( 2.206 21.920 2.067) 22.127 4.675 ( 5.574 3.057 8.881) 10.922 4.752 ( -4.648 -3.349 -2.248) 6.154 4.930 ( -4.698 -2.309 4.778) 7.088 5.032 ( 8.061 5.558 0.784) 9.823 5.179 ( -3.150 4.187 -0.253) 5.246 5.311 ( -0.200 -0.331 -1.335) 1.390 5.348 ( -1.139 6.847 -2.335) 7.324 5.440 ( -4.537 8.956 0.950) 10.084 5.470 ( -2.788 2.876 2.646) 4.801 5.542 ( -1.455 4.116 -1.158) 4.516 5.755 ( 1.596 6.812 -2.431) 7.407 5.872 ( -5.284 -2.433 0.227) 5.822 6.197 ( 1.391 -7.039 0.618) 7.202 6.384 ( 2.574 -9.712 -3.054) 10.501 6.574 ( 0.158 -10.344 0.714) 10.369 6.655 ( -0.081 -16.676 0.478) 16.683 6.763 ( -1.353 -9.969 -0.005) 10.061 6.832 ( 0.058 -13.820 -0.276) 13.823 7.020 ( 3.165 -4.332 -0.806) 5.425 7.271 ( 0.252 -4.746 1.561) 5.002 7.499 ( 0.619 -3.156 -1.445) 3.526 7.596 ( 4.868 -8.059 -1.893) 9.604 7.737 ( 3.675 2.556 1.648) 4.770 7.891 ( -1.109 0.870 1.476) 2.041 8.481 ( 8.193 0.826 -2.172) 8.517 8.689 ( -1.137 3.394 -3.583) 5.065 8.843 ( 0.981 5.193 1.789) 5.579 9.008 ( 2.059 4.248 2.558) 5.370 11.536 ( -0.042 4.005 -0.277) 4.015 11.575 ( 0.357 3.088 0.243) 3.118 11.608 ( -2.112 0.939 0.438) 2.353 11.662 ( -2.154 1.317 -0.551) 2.584 11.784 ( -2.358 11.053 -1.474) 11.398 12.106 ( -1.147 15.232 3.551) 15.683 13.640 ( -1.263 -35.069 -3.079) 35.227 13.955 ( 2.829 -30.874 2.812) 31.131 14.360 ( -2.563 9.537 -1.408) 9.975 14.497 ( -5.067 7.931 1.274) 9.497 15.169 ( -5.082 -14.487 0.244) 15.354 15.197 ( -3.830 -13.461 0.225) 13.997 16.115 ( 4.657 7.474 5.001) 10.127 16.134 ( 1.774 3.955 -0.573) 4.372 16.234 ( -0.450 4.188 -0.866) 4.300 16.291 ( -0.860 3.639 -0.583) 3.784 16.819 ( -1.419 15.212 -4.088) 15.815 17.413 ( -0.193 8.625 4.929) 9.936 17.491 ( 1.796 -2.078 -4.106) 4.940 17.797 ( -0.360 -1.028 -1.232) 1.644 25.471 ( -2.744 14.065 -1.298) 14.389 25.598 ( -0.398 5.474 -1.910) 5.811 25.686 ( -1.004 18.082 1.346) 18.160 25.810 ( -4.492 9.978 1.703) 11.074 26.487 ( -0.050 5.646 -0.614) 5.679 26.522 ( 0.699 7.963 1.098) 8.069 27.957 ( -6.559 -30.163 -4.743) 31.230 28.322 ( -1.258 -29.347 5.816) 29.945 30.105 ( 0.056 13.727 -3.880) 14.265 30.549 ( 4.891 8.619 7.331) 12.327 30.769 ( 1.537 -7.175 -5.294) 9.048 31.161 ( 7.188 -10.113 0.257) 12.410 32.946 ( -3.068 4.440 -3.828) 6.617 33.079 ( 0.398 4.906 -0.325) 4.932 33.167 ( -1.294 7.037 -0.147) 7.156 33.213 ( -0.290 5.995 3.952) 7.187 33.375 ( 3.290 -1.172 -3.192) 4.731 33.811 ( 1.909 -2.555 -0.202) 3.196 33.915 ( -4.897 -9.766 -2.794) 11.276 34.412 ( 1.652 -16.620 5.879) 17.706 42.550 ( -0.400 9.981 -0.406) 9.997 42.685 ( -0.168 11.338 0.278) 11.343 43.181 ( 0.011 -7.634 -0.488) 7.649 43.376 ( 0.321 -8.198 0.051) 8.204 51.720 ( -4.875 43.579 -5.302) 44.170 52.451 ( -0.640 62.940 5.204) 63.158 54.674 ( -7.237 -37.146 -19.672) 42.652 57.743 ( -8.440 -84.129 12.203) 85.428 ======================= Grid point 27 (18/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.646 ( 0.000 1.440 -0.000) 1.440 1.800 ( -0.000 -0.798 0.000) 0.798 1.957 ( 0.000 2.136 -0.000) 2.136 2.253 ( 0.000 5.185 0.000) 5.185 2.338 ( -0.000 -6.635 0.000) 6.635 2.426 ( 0.000 -2.454 0.000) 2.454 2.538 ( -0.000 -0.460 0.000) 0.460 2.712 ( 0.000 0.391 -0.000) 0.391 2.947 ( 0.000 4.063 0.000) 4.063 3.020 ( 0.000 5.990 0.000) 5.990 3.275 ( 0.000 5.607 0.000) 5.607 3.414 ( 0.000 15.371 0.000) 15.371 3.467 ( 0.000 8.783 -0.000) 8.783 3.623 ( 0.000 14.483 0.000) 14.483 4.115 ( 0.000 -2.281 0.000) 2.281 4.150 ( -0.000 11.818 -0.000) 11.818 4.267 ( -0.000 -5.129 0.000) 5.129 4.287 ( -0.000 23.935 -0.000) 23.935 4.330 ( 0.000 20.411 -0.000) 20.411 4.503 ( 0.000 12.298 -0.000) 12.298 4.675 ( 0.000 -2.974 0.000) 2.974 4.806 ( 0.000 -0.271 -0.000) 0.271 4.919 ( 0.000 5.643 0.000) 5.643 5.156 ( -0.000 15.385 -0.000) 15.385 5.185 ( -0.000 9.652 0.000) 9.652 5.252 ( 0.000 -1.900 0.000) 1.900 5.284 ( 0.000 7.730 0.000) 7.730 5.383 ( 0.000 0.506 0.000) 0.506 5.476 ( 0.000 5.372 0.000) 5.372 5.519 ( 0.000 3.853 0.000) 3.853 5.758 ( -0.000 10.048 0.000) 10.048 5.826 ( 0.000 -3.170 -0.000) 3.170 6.217 ( 0.000 -6.363 -0.000) 6.363 6.398 ( 0.000 -10.808 0.000) 10.808 6.579 ( 0.000 -9.796 -0.000) 9.796 6.649 ( -0.000 -17.207 0.000) 17.207 6.750 ( 0.000 -12.862 0.000) 12.862 6.836 ( 0.000 -11.667 -0.000) 11.667 7.047 ( 0.000 -4.636 0.000) 4.636 7.278 ( 0.000 -4.522 0.000) 4.522 7.499 ( 0.000 -2.901 -0.000) 2.901 7.634 ( 0.000 -8.962 -0.000) 8.962 7.791 ( 0.000 1.262 0.000) 1.262 7.875 ( 0.000 1.142 -0.000) 1.142 8.585 ( 0.000 3.378 0.000) 3.378 8.628 ( 0.000 -2.183 -0.000) 2.183 8.849 ( 0.000 7.294 0.000) 7.294 9.057 ( -0.000 3.393 0.000) 3.393 11.535 ( 0.000 6.693 0.000) 6.693 11.568 ( 0.000 0.979 -0.000) 0.979 11.610 ( 0.000 1.336 0.000) 1.336 11.626 ( 0.000 2.465 0.000) 2.465 11.757 ( 0.000 9.265 0.000) 9.265 12.111 ( 0.000 14.099 0.000) 14.099 13.610 ( 0.000 -37.390 0.000) 37.390 13.998 ( 0.000 -35.579 0.000) 35.579 14.334 ( 0.000 10.321 0.000) 10.321 14.453 ( 0.000 9.654 0.000) 9.654 15.112 ( 0.000 -14.035 0.000) 14.035 15.172 ( -0.000 -14.019 0.000) 14.019 16.145 ( 0.000 3.596 0.000) 3.596 16.205 ( -0.000 4.295 -0.000) 4.295 16.217 ( 0.000 6.647 0.000) 6.647 16.270 ( 0.000 4.440 0.000) 4.440 16.786 ( 0.000 16.820 0.000) 16.820 17.432 ( 0.000 9.970 0.000) 9.970 17.490 ( 0.000 -3.643 0.000) 3.643 17.787 ( 0.000 -1.242 -0.000) 1.242 25.440 ( 0.000 14.301 -0.000) 14.301 25.581 ( -0.000 3.924 0.000) 3.924 25.699 ( 0.000 22.467 -0.000) 22.467 25.766 ( -0.000 6.339 0.000) 6.339 26.486 ( 0.000 3.867 0.000) 3.867 26.533 ( 0.000 8.009 0.000) 8.009 27.874 ( 0.000 -31.097 0.000) 31.097 28.336 ( 0.000 -29.511 -0.000) 29.511 30.087 ( 0.000 14.332 0.000) 14.332 30.631 ( 0.000 8.202 -0.000) 8.202 30.756 ( 0.000 -7.651 0.000) 7.651 31.233 ( 0.000 -10.821 0.000) 10.821 32.895 ( 0.000 4.937 0.000) 4.937 33.081 ( 0.000 4.742 -0.000) 4.742 33.157 ( 0.000 6.807 0.000) 6.807 33.229 ( 0.000 6.128 0.000) 6.128 33.396 ( 0.000 -2.646 0.000) 2.646 33.823 ( 0.000 -4.012 0.000) 4.012 33.857 ( 0.000 -6.794 0.000) 6.794 34.454 ( 0.000 -16.165 0.000) 16.165 42.544 ( 0.000 9.973 0.000) 9.973 42.686 ( 0.000 11.199 0.000) 11.199 43.179 ( 0.000 -7.781 -0.000) 7.781 43.379 ( 0.000 -8.309 0.000) 8.309 51.650 ( 0.000 41.972 0.000) 41.972 52.470 ( 0.000 62.418 0.000) 62.418 54.519 ( 0.000 -36.585 -0.000) 36.585 57.713 ( 0.000 -81.663 0.000) 81.663 ======================= Grid point 33 (19/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 0.000 26.295 0.000) 26.295 2.132 ( 0.000 18.435 0.000) 18.435 2.222 ( 0.000 21.075 0.000) 21.075 2.264 ( 0.000 2.747 0.000) 2.747 2.326 ( 0.000 -16.862 0.000) 16.862 2.640 ( 0.000 -15.220 0.000) 15.220 2.848 ( 0.000 7.421 0.000) 7.421 3.016 ( 0.000 -5.472 0.000) 5.472 3.018 ( 0.000 -3.986 0.000) 3.986 3.055 ( 0.000 -5.452 0.000) 5.452 3.537 ( 0.000 3.513 0.000) 3.513 3.553 ( 0.000 0.724 0.000) 0.724 3.717 ( 0.000 16.434 0.000) 16.434 4.031 ( 0.000 9.335 0.000) 9.335 4.178 ( 0.000 -16.342 0.000) 16.342 4.216 ( 0.000 -5.996 0.000) 5.996 4.334 ( 0.000 9.625 0.000) 9.625 4.449 ( 0.000 -0.808 0.000) 0.808 4.452 ( 0.000 -4.498 0.000) 4.498 4.598 ( 0.000 -12.798 0.000) 12.798 4.819 ( 0.000 6.532 0.000) 6.532 4.919 ( 0.000 2.031 0.000) 2.031 5.154 ( 0.000 13.902 0.000) 13.902 5.232 ( 0.000 18.335 0.000) 18.335 5.273 ( 0.000 17.819 0.000) 17.819 5.348 ( 0.000 16.099 0.000) 16.099 5.511 ( 0.000 3.526 0.000) 3.526 5.569 ( 0.000 -8.733 0.000) 8.733 5.637 ( 0.000 5.999 0.000) 5.999 5.696 ( 0.000 4.048 0.000) 4.048 5.855 ( 0.000 -8.767 0.000) 8.767 5.970 ( 0.000 -13.066 0.000) 13.066 6.021 ( 0.000 -8.368 0.000) 8.368 6.082 ( 0.000 -11.687 0.000) 11.687 6.302 ( 0.000 -17.111 0.000) 17.111 6.309 ( 0.000 -18.443 0.000) 18.443 6.724 ( 0.000 2.250 0.000) 2.250 6.743 ( 0.000 -0.565 0.000) 0.565 6.891 ( 0.000 5.073 0.000) 5.073 7.019 ( 0.000 -5.760 0.000) 5.760 7.136 ( 0.000 1.852 0.000) 1.852 7.198 ( 0.000 -4.359 0.000) 4.359 7.553 ( 0.000 3.258 0.000) 3.258 7.621 ( 0.000 -2.943 0.000) 2.943 8.473 ( 0.000 14.579 0.000) 14.579 8.733 ( 0.000 -9.124 0.000) 9.124 8.893 ( 0.000 14.592 0.000) 14.592 9.208 ( 0.000 -15.226 0.000) 15.226 11.640 ( 0.000 2.354 0.000) 2.354 11.686 ( 0.000 -2.017 0.000) 2.017 11.695 ( 0.000 2.183 0.000) 2.183 11.737 ( 0.000 -1.808 0.000) 1.808 12.430 ( 0.000 27.956 0.000) 27.956 12.940 ( 0.000 22.741 0.000) 22.741 13.036 ( 0.000 -28.799 0.000) 28.799 13.415 ( 0.000 -22.064 0.000) 22.064 15.168 ( 0.000 20.393 0.000) 20.393 15.397 ( 0.000 -2.739 0.000) 2.739 15.513 ( 0.000 7.424 0.000) 7.424 15.675 ( 0.000 -7.556 0.000) 7.556 15.848 ( 0.000 -3.839 0.000) 3.839 15.909 ( 0.000 -8.615 0.000) 8.615 16.147 ( 0.000 3.364 0.000) 3.364 16.207 ( 0.000 -1.870 0.000) 1.870 17.239 ( 0.000 13.507 0.000) 13.507 17.402 ( 0.000 10.178 0.000) 10.178 17.458 ( 0.000 -7.140 0.000) 7.140 17.634 ( 0.000 -11.582 0.000) 11.582 25.787 ( 0.000 7.722 0.000) 7.722 25.903 ( 0.000 9.593 0.000) 9.593 25.928 ( 0.000 -4.229 0.000) 4.229 26.102 ( 0.000 -9.045 0.000) 9.045 26.797 ( 0.000 31.087 0.000) 31.087 27.458 ( 0.000 -30.207 0.000) 30.207 28.818 ( 0.000 4.754 0.000) 4.754 28.926 ( 0.000 -5.461 0.000) 5.461 30.035 ( 0.000 10.798 0.000) 10.798 30.174 ( 0.000 16.483 0.000) 16.483 30.248 ( 0.000 -9.538 0.000) 9.538 30.508 ( 0.000 -15.081 0.000) 15.081 32.854 ( 0.000 0.862 0.000) 0.862 32.875 ( 0.000 -1.121 0.000) 1.121 33.188 ( 0.000 4.171 0.000) 4.171 33.262 ( 0.000 -2.858 0.000) 2.858 33.428 ( 0.000 7.808 0.000) 7.808 33.594 ( 0.000 -7.799 0.000) 7.799 33.885 ( 0.000 11.061 0.000) 11.061 34.131 ( 0.000 -12.054 0.000) 12.054 42.830 ( 0.000 10.530 0.000) 10.530 43.030 ( 0.000 6.548 0.000) 6.548 43.035 ( 0.000 -8.835 0.000) 8.835 43.171 ( 0.000 -6.762 0.000) 6.762 53.848 ( 0.000 53.057 0.000) 53.057 53.943 ( 0.000 44.299 0.000) 44.299 54.459 ( 0.000 -26.400 0.000) 26.400 55.383 ( 0.000 -69.264 0.000) 69.264 ======================= Grid point 34 (20/104) ======================= q-point: ( 0.10 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( 5.608 24.068 -1.953) 24.790 2.099 ( -0.503 21.041 -5.859) 21.847 2.235 ( 2.873 6.434 -1.572) 7.219 2.266 ( 4.335 4.083 -3.220) 6.770 2.392 ( 1.510 -11.104 -2.144) 11.409 2.589 ( -3.924 -15.057 -2.327) 15.733 2.831 ( -0.000 11.354 4.631) 12.262 2.980 ( -2.220 -3.047 -2.188) 4.359 3.013 ( -1.343 -3.646 -1.998) 4.369 3.132 ( 5.492 -11.324 1.333) 12.656 3.500 ( 1.204 4.538 -7.994) 9.271 3.574 ( 1.064 -2.986 -0.044) 3.170 3.778 ( 5.179 19.879 2.597) 20.706 4.014 ( 1.571 6.924 -5.765) 9.146 4.159 ( 0.520 -7.508 -9.264) 11.935 4.202 ( 2.160 -12.283 -0.841) 12.500 4.380 ( 2.942 11.408 3.669) 12.339 4.434 ( -0.194 4.117 0.987) 4.238 4.537 ( 0.487 -6.564 9.617) 11.654 4.665 ( 4.046 -12.405 4.473) 13.793 4.813 ( -2.368 8.031 4.579) 9.543 4.902 ( -2.165 2.274 1.330) 3.410 5.079 ( -9.338 16.596 2.118) 19.160 5.111 ( -14.397 21.106 1.159) 25.575 5.260 ( -0.355 12.774 1.682) 12.889 5.328 ( 1.426 7.851 0.093) 7.980 5.460 ( -11.684 -8.806 7.070) 16.250 5.564 ( -0.151 -1.351 0.663) 1.512 5.658 ( 1.230 3.478 1.676) 4.052 5.722 ( -0.233 7.364 1.982) 7.629 5.833 ( 1.215 -4.123 -2.664) 5.057 5.965 ( -0.787 -1.663 -1.086) 2.137 6.030 ( 3.204 -12.296 -3.898) 13.291 6.073 ( 0.253 -14.079 -0.306) 14.084 6.277 ( -0.753 -17.589 -3.418) 17.933 6.318 ( 0.473 -16.781 0.326) 16.790 6.688 ( -2.167 4.096 -2.087) 5.083 6.787 ( -0.937 -3.396 3.976) 5.312 6.892 ( 0.514 1.127 1.789) 2.176 6.952 ( -1.338 -3.439 2.119) 4.255 7.269 ( 9.659 0.816 -2.153) 9.929 7.299 ( 9.514 -2.281 -3.711) 10.464 7.586 ( 3.854 2.670 -0.649) 4.734 7.643 ( 2.485 -2.501 -0.064) 3.526 8.505 ( 3.258 12.287 0.727) 12.732 8.690 ( -1.466 -1.508 -6.174) 6.522 8.878 ( -4.402 7.947 6.676) 11.274 9.146 ( -6.679 -14.318 1.104) 15.838 11.636 ( -0.349 2.479 -0.149) 2.508 11.681 ( -1.335 1.645 0.053) 2.119 11.684 ( -0.409 -1.371 -0.015) 1.430 11.725 ( -1.345 -1.807 0.150) 2.258 12.450 ( 0.222 27.081 3.284) 27.281 12.799 ( -7.898 16.821 -6.470) 19.677 13.112 ( 1.514 -20.327 5.738) 21.175 13.381 ( -3.081 -23.359 -1.226) 23.593 15.103 ( -8.181 18.617 3.148) 20.577 15.282 ( -14.111 3.886 -0.438) 14.643 15.394 ( -9.021 -2.271 -0.485) 9.315 15.500 ( -14.663 -10.432 -1.175) 18.034 15.848 ( 3.918 4.951 -0.164) 6.316 16.024 ( 7.335 -9.304 1.558) 11.950 16.157 ( 3.749 4.336 -5.562) 7.987 16.235 ( 3.890 -2.686 -4.194) 6.319 17.268 ( 0.490 8.969 0.352) 8.989 17.346 ( -2.062 6.212 -0.433) 6.559 17.498 ( 2.681 0.721 -0.630) 2.847 17.672 ( 3.662 -10.467 -0.501) 11.101 25.786 ( -0.535 7.625 0.699) 7.675 25.872 ( -1.627 6.510 -2.252) 7.078 25.943 ( -0.905 -1.608 3.723) 4.155 26.076 ( -2.304 -8.263 -0.645) 8.602 26.818 ( -0.505 30.845 5.303) 31.301 27.468 ( -2.110 -28.673 5.435) 29.260 28.262 ( -36.065 19.995 -16.096) 44.267 28.624 ( -21.988 -14.857 -12.389) 29.286 30.136 ( 5.992 11.521 -0.826) 13.013 30.240 ( 8.999 0.673 -1.918) 9.226 30.436 ( 13.826 -0.941 -2.031) 14.006 30.573 ( 7.371 -11.358 -3.789) 14.061 32.943 ( 4.844 3.482 7.712) 9.750 33.030 ( 7.352 -4.506 10.658) 13.709 33.181 ( -0.183 3.927 -1.055) 4.070 33.252 ( -0.170 -2.708 -1.560) 3.129 33.473 ( 3.651 5.493 3.309) 7.379 33.621 ( 1.069 -7.838 4.243) 8.977 33.829 ( -3.992 11.362 -3.570) 12.561 34.083 ( -3.552 -12.383 -3.130) 13.257 42.823 ( -0.493 10.550 -0.459) 10.571 42.996 ( -2.059 5.192 -1.069) 5.687 43.039 ( 0.014 -5.828 -0.387) 5.841 43.174 ( 0.314 -7.812 -0.279) 7.824 53.716 ( -8.051 65.130 -5.678) 65.871 53.835 ( -6.669 54.107 1.148) 54.529 54.908 ( 20.027 -56.357 30.858) 67.301 55.189 ( -12.890 -66.145 -14.688) 68.971 ======================= Grid point 35 (21/104) ======================= q-point: ( 0.20 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -1.244 22.336 2.436) 22.502 2.143 ( 8.233 14.432 -2.052) 16.742 2.168 ( -1.208 8.816 -7.435) 11.595 2.325 ( -1.012 -6.049 -5.140) 8.002 2.365 ( 4.091 -6.512 -4.783) 9.057 2.485 ( -3.694 -16.093 -2.555) 16.709 2.865 ( -8.964 0.920 -3.169) 9.552 2.890 ( -6.074 -0.882 -2.464) 6.614 2.949 ( 2.725 9.285 0.597) 9.695 3.225 ( 3.674 -11.563 -0.289) 12.136 3.462 ( 3.354 6.019 -7.022) 9.838 3.602 ( 2.818 -4.754 -1.755) 5.798 3.923 ( 6.581 15.865 1.429) 17.235 3.998 ( 2.296 4.746 -4.505) 6.935 4.093 ( 3.005 -3.826 -11.482) 12.470 4.240 ( 1.375 -6.938 0.712) 7.109 4.402 ( -3.054 3.476 2.821) 5.420 4.503 ( 1.754 15.954 1.085) 16.087 4.593 ( -2.216 -10.791 5.541) 12.331 4.764 ( -2.247 -0.475 6.543) 6.934 4.816 ( -1.528 12.253 1.497) 12.438 4.878 ( -2.108 7.520 2.845) 8.312 4.897 ( -7.521 11.128 9.445) 16.420 4.946 ( -5.256 17.156 5.300) 18.709 5.206 ( -13.418 -14.148 8.970) 21.463 5.297 ( 0.099 9.983 4.769) 11.064 5.452 ( 1.604 -3.047 1.678) 3.830 5.518 ( -3.028 -0.161 1.073) 3.217 5.670 ( -1.430 5.853 -0.479) 6.044 5.719 ( -1.304 2.953 3.211) 4.553 5.867 ( 3.417 7.885 -2.351) 8.909 5.959 ( 2.491 -0.179 -3.242) 4.092 6.020 ( 1.510 -13.092 -5.675) 14.348 6.113 ( 1.552 -11.899 2.199) 12.200 6.225 ( -1.345 -16.603 -3.574) 17.037 6.313 ( -0.798 -15.032 -0.646) 15.067 6.628 ( -1.447 1.459 -2.443) 3.192 6.745 ( -4.064 -7.409 -0.410) 8.460 6.937 ( 1.860 3.992 3.380) 5.551 7.031 ( 3.560 -4.487 4.399) 7.222 7.376 ( 4.986 0.557 -3.832) 6.313 7.406 ( 5.698 -2.144 -4.570) 7.613 7.670 ( 4.895 2.615 0.001) 5.549 7.723 ( 6.220 -2.217 0.167) 6.606 8.573 ( -0.475 7.804 -5.879) 9.782 8.613 ( 4.241 5.209 -1.549) 6.893 8.873 ( -2.007 2.262 5.494) 6.271 9.023 ( -7.420 -10.910 3.308) 13.602 11.624 ( -0.725 2.635 -0.412) 2.764 11.651 ( -1.742 2.570 0.348) 3.124 11.672 ( -1.044 -1.913 -0.196) 2.188 11.698 ( -1.523 -1.775 0.261) 2.354 12.469 ( -2.882 25.454 1.760) 25.677 12.598 ( -7.215 23.263 -1.665) 24.413 13.157 ( -1.785 -23.689 2.255) 23.863 13.291 ( -4.829 -26.684 -0.158) 27.118 14.935 ( -11.801 15.110 -1.514) 19.232 14.987 ( -13.703 9.893 1.559) 16.973 15.178 ( -13.722 -9.955 0.527) 16.961 15.250 ( -10.671 -13.035 -0.730) 16.862 15.977 ( 7.676 9.722 2.530) 12.643 16.168 ( 5.252 -6.932 2.787) 9.132 16.177 ( 3.605 4.214 -4.232) 6.976 16.257 ( 2.575 -2.666 -3.799) 5.308 17.219 ( -2.283 8.657 -3.353) 9.560 17.346 ( 0.080 -1.558 0.298) 1.588 17.549 ( 3.379 7.061 -0.495) 7.843 17.728 ( 2.772 -7.845 -1.094) 8.392 25.773 ( -1.613 6.653 0.088) 6.847 25.811 ( -2.437 5.198 -2.508) 6.265 25.951 ( -2.015 -0.687 3.296) 3.924 26.018 ( -3.048 -5.263 -0.060) 6.082 26.866 ( -1.503 30.368 8.528) 31.579 27.363 ( -17.422 11.435 -5.219) 21.484 27.652 ( -11.821 -11.567 1.229) 16.584 28.069 ( -22.565 -24.943 -13.495) 36.242 30.277 ( 8.800 10.546 -0.011) 13.735 30.366 ( 6.932 2.386 -1.946) 7.585 30.612 ( 9.156 -3.377 -6.330) 11.632 30.666 ( 7.169 -8.160 -3.873) 11.531 33.105 ( 4.019 5.825 6.222) 9.423 33.161 ( -0.380 3.830 -2.044) 4.358 33.194 ( 1.311 -0.886 4.952) 5.199 33.240 ( 1.131 -3.255 -1.075) 3.610 33.609 ( 5.736 1.383 3.226) 6.724 33.688 ( -5.207 10.248 -4.468) 12.333 33.742 ( 3.689 -9.222 11.191) 14.963 33.957 ( -5.693 -12.965 -4.969) 15.006 42.806 ( -0.723 10.593 -0.647) 10.637 42.952 ( -1.610 7.748 -0.515) 7.930 43.031 ( -0.189 -6.419 -0.914) 6.487 43.176 ( 0.112 -9.277 -0.278) 9.282 53.405 ( -13.771 62.767 -14.645) 65.907 53.843 ( -1.937 71.213 12.976) 72.411 54.708 ( -18.152 -57.823 -23.238) 64.907 55.487 ( 9.266 -83.903 30.705) 89.824 ======================= Grid point 36 (22/104) ======================= q-point: ( 0.30 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( -2.261 16.299 5.432) 17.328 2.009 ( -5.641 8.567 -7.873) 12.931 2.195 ( -4.647 -8.612 -10.268) 14.184 2.317 ( -2.515 -10.380 3.760) 11.322 2.377 ( 8.843 4.219 -2.354) 10.077 2.504 ( 6.709 -5.004 -1.585) 8.518 2.579 ( -13.326 1.709 -10.352) 16.961 2.623 ( -13.466 -2.428 -7.345) 15.530 3.035 ( 1.882 9.446 3.261) 10.169 3.237 ( -2.513 -6.408 0.499) 6.902 3.498 ( 2.787 7.891 -1.172) 8.450 3.597 ( -3.609 -0.035 0.204) 3.615 3.959 ( 2.294 3.019 -8.237) 9.068 4.008 ( 4.129 0.591 -6.046) 7.345 4.128 ( 4.388 9.888 1.059) 10.870 4.237 ( -2.944 -0.617 1.388) 3.313 4.313 ( -10.247 16.489 -2.207) 19.539 4.444 ( -0.345 -4.664 1.379) 4.876 4.546 ( -3.879 -7.368 0.321) 8.333 4.743 ( -5.575 -8.867 -3.122) 10.929 4.819 ( -6.122 13.611 6.473) 16.267 4.882 ( 2.588 17.024 10.831) 20.343 4.965 ( 3.803 4.518 5.739) 8.235 5.023 ( 4.124 18.389 9.771) 21.228 5.164 ( -3.624 -7.006 13.563) 15.690 5.345 ( 1.335 10.667 2.798) 11.109 5.416 ( -3.270 -8.584 -0.157) 9.187 5.537 ( 2.122 6.851 -1.623) 7.353 5.624 ( -2.406 3.431 -0.061) 4.191 5.729 ( -0.604 0.577 1.653) 1.852 5.874 ( 0.696 11.417 -4.185) 12.180 5.966 ( 1.785 0.901 -4.915) 5.307 6.032 ( 4.125 -15.525 -2.708) 16.290 6.125 ( -2.765 -1.900 1.430) 3.647 6.181 ( 0.367 -19.942 -1.285) 19.986 6.296 ( 0.027 -16.165 -0.999) 16.196 6.596 ( 0.069 -3.207 -1.873) 3.715 6.656 ( -4.116 -7.464 -1.933) 8.740 7.005 ( 2.325 5.405 2.384) 6.349 7.121 ( 2.363 -5.295 2.891) 6.479 7.419 ( 3.512 -1.752 -2.450) 4.626 7.431 ( 1.681 -2.756 -3.062) 4.450 7.754 ( 3.773 4.423 0.337) 5.824 7.833 ( 4.319 -2.866 0.449) 5.203 8.508 ( 1.167 8.762 -4.465) 9.904 8.674 ( 2.317 -5.122 -4.094) 6.955 8.911 ( 2.011 4.529 3.420) 6.021 8.984 ( -0.571 -3.462 4.297) 5.547 11.601 ( -1.208 2.327 -0.196) 2.629 11.632 ( -0.556 2.503 0.133) 2.567 11.642 ( -1.916 -1.272 0.063) 2.301 11.678 ( -0.863 -1.622 -0.062) 1.838 12.335 ( -6.989 27.219 -3.576) 28.329 12.560 ( -2.610 23.763 5.959) 24.637 13.052 ( -6.716 -28.459 -4.460) 29.579 13.252 ( -2.424 -30.342 4.026) 30.704 14.713 ( -8.582 12.369 -1.471) 15.126 14.811 ( -8.660 11.403 1.566) 14.404 14.976 ( -8.577 -12.881 1.189) 15.521 15.064 ( -8.779 -12.529 -0.905) 15.326 16.138 ( 5.641 8.251 4.522) 10.971 16.196 ( 2.304 4.038 -2.502) 5.279 16.262 ( 1.507 -1.845 -1.446) 2.787 16.275 ( 2.353 -3.830 2.426) 5.107 17.156 ( -0.834 11.105 -3.509) 11.676 17.347 ( 0.529 -6.514 -0.559) 6.559 17.596 ( 1.881 8.176 -0.518) 8.405 17.748 ( 0.732 -5.711 -1.453) 5.938 25.723 ( -2.541 5.087 -1.600) 5.907 25.746 ( -2.388 3.476 -2.165) 4.740 25.925 ( -2.022 2.860 0.501) 3.539 25.983 ( -2.189 -1.603 2.366) 3.600 26.907 ( -2.699 29.907 7.293) 30.902 26.978 ( -12.492 27.240 -6.020) 30.567 27.596 ( -12.225 -29.396 -4.630) 32.172 27.634 ( -6.789 -31.547 4.509) 32.583 30.369 ( 3.466 9.894 -4.917) 11.579 30.505 ( 6.616 1.027 2.742) 7.235 30.669 ( 5.335 -0.227 -5.934) 7.982 30.803 ( 8.426 -9.041 0.514) 12.370 33.116 ( -1.306 3.680 -3.672) 5.360 33.160 ( 0.053 1.489 -1.768) 2.312 33.238 ( 1.611 1.418 1.002) 2.369 33.271 ( -0.004 0.846 3.575) 3.674 33.540 ( -4.186 11.712 -4.513) 13.231 33.737 ( 3.715 2.484 3.431) 5.634 33.807 ( -4.979 -11.834 -4.055) 13.464 33.936 ( 4.342 -13.969 10.571) 18.048 42.787 ( -0.670 10.704 -0.560) 10.740 42.931 ( -0.703 9.025 0.363) 9.060 43.016 ( -0.324 -7.030 -1.200) 7.139 43.175 ( 0.045 -10.221 -0.099) 10.222 53.017 ( -12.468 55.318 -14.363) 58.496 53.914 ( -3.441 66.095 9.135) 66.812 54.191 ( -13.965 -36.446 -19.330) 43.554 55.784 ( -1.784 -92.276 20.988) 94.649 ======================= Grid point 37 (23/104) ======================= q-point: ( 0.40 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.821 ( -7.274 5.263 -4.862) 10.210 1.930 ( -6.037 -2.241 -10.423) 12.252 2.008 ( -0.924 9.149 2.478) 9.524 2.257 ( -5.898 -9.303 -0.252) 11.018 2.295 ( -6.588 -4.104 -4.320) 8.883 2.338 ( -7.261 -6.351 -4.579) 10.678 2.543 ( 6.011 4.760 -0.267) 7.672 2.626 ( 4.943 -2.537 1.418) 5.734 3.075 ( 0.091 8.148 2.246) 8.452 3.177 ( -3.642 0.333 1.032) 3.800 3.463 ( -4.829 5.308 -1.279) 7.289 3.521 ( -4.472 0.787 2.160) 5.028 3.947 ( 4.548 11.392 -6.470) 13.868 4.052 ( -2.904 13.360 -1.279) 13.731 4.072 ( -1.350 9.794 -2.126) 10.112 4.182 ( -2.400 0.064 0.450) 2.442 4.217 ( -0.648 0.690 0.218) 0.972 4.445 ( -2.697 -10.474 1.822) 10.968 4.522 ( 0.264 -4.611 -0.166) 4.622 4.624 ( -2.273 -10.256 -1.842) 10.665 4.789 ( -3.368 15.185 4.914) 16.311 4.965 ( -0.273 11.304 4.328) 12.107 5.097 ( 4.615 9.362 2.834) 10.816 5.185 ( 1.710 9.726 8.238) 12.860 5.225 ( -1.142 -0.631 7.643) 7.754 5.356 ( -1.376 6.975 -1.413) 7.248 5.418 ( 2.625 8.210 3.059) 9.146 5.549 ( 2.060 1.241 -2.480) 3.455 5.590 ( -1.197 5.651 0.984) 5.859 5.723 ( 0.756 3.814 -3.844) 5.467 5.842 ( -1.031 8.196 -1.253) 8.355 5.944 ( 0.001 2.488 -3.115) 3.986 6.075 ( 1.328 -5.763 -0.653) 5.950 6.104 ( 1.224 -12.413 -0.086) 12.473 6.195 ( 0.462 -17.227 0.799) 17.252 6.287 ( -0.141 -16.759 -1.120) 16.797 6.568 ( -1.434 -5.827 -3.290) 6.843 6.598 ( -0.483 -7.285 0.921) 7.359 7.055 ( 1.654 4.855 0.290) 5.137 7.167 ( 0.750 -5.245 1.099) 5.411 7.438 ( 1.186 -1.566 -0.899) 2.160 7.463 ( 2.391 -4.046 -0.406) 4.717 7.809 ( 2.041 3.782 0.221) 4.303 7.876 ( 0.270 -2.211 0.349) 2.255 8.536 ( 4.391 4.541 -2.120) 6.663 8.648 ( -0.905 -5.180 -2.501) 5.823 8.978 ( 1.938 5.571 1.425) 6.068 9.044 ( 2.815 -0.668 1.948) 3.488 11.584 ( -0.395 1.631 -0.009) 1.678 11.608 ( -1.614 -0.531 0.157) 1.707 11.631 ( 0.128 1.861 0.044) 1.866 11.661 ( -0.822 -0.948 -0.241) 1.278 12.206 ( -3.975 27.337 -1.850) 27.687 12.563 ( -2.138 25.670 4.287) 26.113 12.897 ( -4.805 -32.921 -3.952) 33.503 13.244 ( -1.711 -33.986 2.458) 34.117 14.599 ( -3.453 12.301 -0.289) 12.780 14.696 ( -4.733 10.141 0.989) 11.234 14.873 ( -4.167 -13.461 0.021) 14.092 14.930 ( -4.531 -11.906 -0.063) 12.739 16.213 ( 1.241 3.518 -0.999) 3.862 16.250 ( 2.298 4.454 3.317) 6.010 16.267 ( 0.706 -0.211 -0.714) 1.026 16.322 ( 0.467 -0.988 1.577) 1.919 17.126 ( 0.218 13.348 -2.090) 13.513 17.356 ( 0.770 -8.336 -0.340) 8.378 17.610 ( 0.454 7.472 -0.502) 7.503 17.738 ( -0.213 -4.568 -1.044) 4.690 25.671 ( -1.494 4.528 -1.120) 4.897 25.686 ( -1.795 2.857 -1.815) 3.832 25.904 ( -0.640 5.540 0.105) 5.578 25.968 ( -1.473 0.803 1.625) 2.335 26.768 ( -5.031 21.513 -2.877) 22.280 26.938 ( -1.663 30.061 5.002) 30.520 27.326 ( -7.642 -29.089 -4.903) 30.473 27.646 ( -2.225 -34.221 6.127) 34.836 30.364 ( 0.811 11.137 -3.244) 11.628 30.575 ( 1.489 -8.704 -2.007) 9.056 30.753 ( 4.702 8.410 1.510) 9.752 30.948 ( 5.730 -9.894 1.055) 11.482 33.049 ( -1.761 5.106 -3.506) 6.439 33.135 ( -0.304 -1.636 -2.162) 2.728 33.256 ( 0.290 3.206 -0.083) 3.221 33.300 ( 0.058 0.858 2.218) 2.379 33.463 ( -1.051 9.160 -2.069) 9.449 33.684 ( -3.299 -11.000 -2.219) 11.697 33.838 ( 2.253 5.880 2.717) 6.858 34.070 ( 2.203 -14.931 5.449) 16.046 42.773 ( -0.393 10.874 -0.306) 10.885 42.929 ( -0.127 10.488 0.720) 10.513 42.999 ( -0.314 -8.468 -1.052) 8.539 43.175 ( 0.031 -10.738 -0.001) 10.738 52.727 ( -6.957 50.567 -8.586) 51.761 53.758 ( -6.802 -40.658 -11.612) 42.828 54.010 ( -3.168 76.053 5.080) 76.288 55.858 ( -4.076 -92.301 10.157) 92.948 ======================= Grid point 38 (24/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.714 ( 0.000 4.309 -0.000) 4.309 1.782 ( -0.000 -1.558 0.000) 1.558 2.044 ( 0.000 6.446 0.000) 6.446 2.174 ( 0.000 -5.874 0.000) 5.874 2.206 ( -0.000 -3.609 0.000) 3.609 2.282 ( 0.000 -9.331 0.000) 9.331 2.597 ( -0.000 4.301 0.000) 4.301 2.682 ( 0.000 -3.291 -0.000) 3.291 3.086 ( -0.000 6.984 0.000) 6.984 3.146 ( 0.000 2.579 0.000) 2.579 3.400 ( 0.000 5.640 0.000) 5.640 3.482 ( 0.000 -1.572 -0.000) 1.572 3.963 ( 0.000 26.240 0.000) 26.240 3.970 ( 0.000 16.138 0.000) 16.138 4.106 ( 0.000 1.606 0.000) 1.606 4.154 ( 0.000 -3.848 0.000) 3.848 4.209 ( 0.000 -2.146 -0.000) 2.146 4.411 ( -0.000 -13.305 -0.000) 13.305 4.528 ( 0.000 -3.195 0.000) 3.195 4.608 ( 0.000 -7.572 0.000) 7.572 4.779 ( 0.000 14.125 -0.000) 14.125 4.979 ( 0.000 12.800 -0.000) 12.800 5.158 ( -0.000 8.264 -0.000) 8.264 5.229 ( 0.000 3.202 0.000) 3.202 5.251 ( 0.000 -1.123 -0.000) 1.123 5.330 ( 0.000 13.082 0.000) 13.082 5.463 ( -0.000 4.575 0.000) 4.575 5.557 ( 0.000 -0.004 -0.000) 0.004 5.617 ( -0.000 12.669 -0.000) 12.669 5.690 ( 0.000 9.284 0.000) 9.284 5.826 ( 0.000 4.612 -0.000) 4.612 5.926 ( 0.000 3.113 0.000) 3.113 6.092 ( 0.000 -4.840 0.000) 4.840 6.116 ( 0.000 -13.328 0.000) 13.328 6.204 ( -0.000 -16.951 0.000) 16.951 6.277 ( 0.000 -17.238 0.000) 17.238 6.539 ( 0.000 -4.759 0.000) 4.759 6.601 ( 0.000 -9.053 -0.000) 9.053 7.071 ( 0.000 4.354 0.000) 4.354 7.177 ( 0.000 -5.175 0.000) 5.175 7.448 ( 0.000 -0.959 -0.000) 0.959 7.486 ( 0.000 -4.658 0.000) 4.658 7.832 ( -0.000 2.277 0.000) 2.277 7.873 ( 0.000 -1.280 -0.000) 1.280 8.597 ( 0.000 -0.483 0.000) 0.483 8.604 ( -0.000 -0.610 -0.000) 0.610 9.002 ( 0.000 6.387 0.000) 6.387 9.084 ( 0.000 -1.187 0.000) 1.187 11.586 ( -0.000 0.592 0.000) 0.592 11.588 ( 0.000 0.576 -0.000) 0.576 11.635 ( -0.000 1.012 0.000) 1.012 11.649 ( 0.000 -0.163 0.000) 0.163 12.161 ( 0.000 27.023 0.000) 27.023 12.562 ( 0.000 28.039 -0.000) 28.039 12.831 ( 0.000 -35.829 0.000) 35.829 13.238 ( 0.000 -35.455 0.000) 35.455 14.566 ( 0.000 11.735 0.000) 11.735 14.660 ( 0.000 10.321 0.000) 10.321 14.826 ( 0.000 -13.076 -0.000) 13.076 14.895 ( 0.000 -12.234 0.000) 12.234 16.220 ( 0.000 3.240 0.000) 3.240 16.265 ( 0.000 -0.676 -0.000) 0.676 16.293 ( 0.000 3.532 -0.000) 3.532 16.330 ( 0.000 0.494 0.000) 0.494 17.120 ( 0.000 14.252 0.000) 14.252 17.363 ( 0.000 -8.756 0.000) 8.756 17.611 ( 0.000 7.097 0.000) 7.097 17.730 ( 0.000 -4.254 -0.000) 4.254 25.653 ( 0.000 4.661 0.000) 4.661 25.658 ( -0.000 2.765 -0.000) 2.765 25.899 ( 0.000 5.791 -0.000) 5.791 25.961 ( 0.000 1.984 0.000) 1.984 26.711 ( 0.000 18.876 -0.000) 18.876 26.946 ( 0.000 30.350 0.000) 30.350 27.233 ( 0.000 -29.148 0.000) 29.148 27.654 ( 0.000 -34.674 -0.000) 34.674 30.355 ( 0.000 11.478 0.000) 11.478 30.575 ( 0.000 -9.578 -0.000) 9.578 30.809 ( 0.000 8.902 -0.000) 8.902 31.009 ( 0.000 -10.237 0.000) 10.237 33.013 ( 0.000 5.997 -0.000) 5.997 33.120 ( 0.000 -2.849 0.000) 2.849 33.257 ( 0.000 3.865 -0.000) 3.865 33.310 ( 0.000 0.349 0.000) 0.349 33.447 ( 0.000 7.746 -0.000) 7.746 33.643 ( 0.000 -9.947 -0.000) 9.947 33.872 ( 0.000 6.811 0.000) 6.811 34.115 ( 0.000 -15.086 -0.000) 15.086 42.768 ( 0.000 10.956 0.000) 10.956 42.933 ( 0.000 12.012 0.000) 12.012 42.990 ( 0.000 -10.038 -0.000) 10.038 43.176 ( 0.000 -10.907 0.000) 10.907 52.622 ( 0.000 49.021 0.000) 49.021 53.636 ( 0.000 -46.522 0.000) 46.522 54.007 ( 0.000 82.965 0.000) 82.965 55.862 ( 0.000 -91.577 0.000) 91.577 ======================= Grid point 77 (25/104) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -23.020 0.000 31.139) 38.724 0.668 ( 3.198 0.000 31.927) 32.087 1.212 ( 6.838 0.000 57.047) 57.455 1.770 ( 11.097 0.000 2.613) 11.401 2.021 ( 1.197 0.000 -6.828) 6.932 2.457 ( 4.530 0.000 -3.525) 5.740 2.753 ( -1.301 0.000 -0.546) 1.411 2.830 ( 2.143 0.000 -1.124) 2.420 2.961 ( -2.033 0.000 3.425) 3.983 3.089 ( -1.669 0.000 -2.836) 3.291 3.434 ( -5.558 0.000 -11.411) 12.692 3.441 ( 0.097 0.000 -1.160) 1.164 3.824 ( 11.457 0.000 3.001) 11.843 3.916 ( -3.386 0.000 -0.903) 3.505 3.986 ( 6.962 0.000 -7.117) 9.956 4.121 ( -7.056 0.000 6.753) 9.767 4.296 ( 5.953 0.000 -0.226) 5.957 4.441 ( -1.593 0.000 -9.349) 9.483 4.455 ( -0.016 0.000 -8.878) 8.878 4.463 ( -0.446 0.000 6.905) 6.919 4.556 ( 4.081 0.000 -1.094) 4.225 4.583 ( -4.636 0.000 -0.488) 4.661 4.837 ( -2.674 0.000 2.377) 3.578 5.080 ( 7.396 0.000 -0.148) 7.397 5.135 ( 1.881 0.000 -8.074) 8.290 5.188 ( -3.563 0.000 7.373) 8.188 5.388 ( -4.352 0.000 -0.945) 4.453 5.511 ( 0.539 0.000 -6.000) 6.024 5.729 ( 13.057 0.000 -7.765) 15.192 5.815 ( 1.519 0.000 -11.435) 11.536 6.205 ( 10.792 0.000 0.449) 10.802 6.431 ( -2.519 0.000 3.723) 4.495 6.491 ( 13.435 0.000 4.539) 14.181 6.521 ( 3.315 0.000 9.269) 9.844 6.570 ( -0.989 0.000 -3.090) 3.244 7.014 ( 0.358 0.000 -1.856) 1.890 7.078 ( -0.470 0.000 0.274) 0.544 7.209 ( -10.653 0.000 5.430) 11.957 7.219 ( 1.156 0.000 -3.152) 3.357 7.301 ( 2.837 0.000 2.943) 4.088 7.455 ( 8.057 0.000 11.580) 14.107 7.514 ( -2.152 0.000 -0.460) 2.201 7.724 ( 2.159 0.000 -1.766) 2.789 7.838 ( 0.225 0.000 7.263) 7.266 8.150 ( -1.194 0.000 -0.679) 1.374 8.166 ( -0.425 0.000 0.785) 0.893 8.229 ( -15.891 0.000 -4.057) 16.401 8.749 ( -33.897 0.000 -9.850) 35.299 11.526 ( 0.571 0.000 0.752) 0.944 11.580 ( 0.393 0.000 -0.598) 0.716 11.693 ( 0.943 0.000 1.972) 2.186 11.757 ( -0.320 0.000 0.955) 1.007 11.800 ( -0.715 0.000 -0.104) 0.723 11.909 ( -1.656 0.000 -2.637) 3.114 13.716 ( -1.055 0.000 0.426) 1.138 13.803 ( 1.287 0.000 -1.584) 2.041 14.205 ( 26.542 0.000 0.898) 26.557 14.234 ( -4.651 0.000 0.312) 4.662 15.645 ( -1.191 0.000 0.372) 1.248 15.684 ( 10.735 0.000 -0.548) 10.749 15.905 ( -0.457 0.000 0.392) 0.602 15.954 ( 1.018 0.000 -0.887) 1.351 16.047 ( -0.010 0.000 1.718) 1.718 16.151 ( -0.230 0.000 -0.878) 0.907 16.895 ( 14.683 0.000 1.456) 14.755 17.040 ( -4.119 0.000 -1.806) 4.498 17.557 ( 2.360 0.000 0.233) 2.371 17.579 ( -2.184 0.000 -0.283) 2.202 25.006 ( -0.104 0.000 0.069) 0.124 25.025 ( 0.051 0.000 -0.371) 0.375 25.502 ( 1.632 0.000 0.988) 1.908 25.581 ( -8.835 0.000 -0.785) 8.870 26.417 ( -1.021 0.000 0.608) 1.188 26.449 ( 0.878 0.000 -0.127) 0.887 28.955 ( 4.585 0.000 2.672) 5.307 29.085 ( 3.216 0.000 3.888) 5.046 29.211 ( -1.548 0.000 -3.081) 3.448 29.509 ( -16.449 0.000 -5.942) 17.489 30.622 ( -0.579 0.000 2.964) 3.020 30.858 ( 1.545 0.000 -2.475) 2.918 32.879 ( 1.790 0.000 4.323) 4.679 32.945 ( -0.082 0.000 0.078) 0.113 33.007 ( 0.430 0.000 1.901) 1.949 33.337 ( -3.324 0.000 -0.451) 3.354 33.402 ( 23.492 0.000 -0.333) 23.494 33.473 ( -1.380 0.000 -4.453) 4.662 34.634 ( -2.899 0.000 2.295) 3.697 34.812 ( 16.596 0.000 -1.771) 16.690 42.295 ( 0.632 0.000 0.741) 0.974 42.356 ( -0.553 0.000 -0.635) 0.842 43.334 ( -1.230 0.000 1.010) 1.592 43.423 ( -1.678 0.000 -1.006) 1.957 50.537 ( 2.618 0.000 6.026) 6.570 51.050 ( -2.474 0.000 -5.497) 6.028 58.049 ( -34.065 0.000 5.203) 34.460 58.526 ( 283.988 0.000 -5.509) 284.041 ======================= Grid point 78 (26/104) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 12.817 0.000 21.765) 25.259 1.166 ( 17.373 0.000 23.635) 29.333 1.879 ( 11.340 0.000 43.569) 45.021 2.004 ( 6.365 0.000 -10.703) 12.453 2.132 ( 18.470 0.000 4.102) 18.920 2.516 ( 4.632 0.000 -2.436) 5.233 2.712 ( -2.402 0.000 -1.138) 2.658 2.767 ( -6.848 0.000 0.507) 6.866 3.011 ( 2.807 0.000 2.924) 4.053 3.061 ( 1.053 0.000 -0.437) 1.140 3.235 ( -5.810 0.000 -6.557) 8.761 3.276 ( -15.277 0.000 -5.011) 16.078 3.750 ( -15.087 0.000 -10.757) 18.529 3.798 ( -6.224 0.000 -3.801) 7.293 3.986 ( -12.779 0.000 2.917) 13.108 4.026 ( 5.948 0.000 -0.066) 5.948 4.277 ( 3.978 0.000 -21.187) 21.557 4.351 ( 1.345 0.000 -0.612) 1.478 4.421 ( -3.750 0.000 -1.835) 4.175 4.509 ( -2.770 0.000 7.701) 8.184 4.527 ( 0.966 0.000 -1.006) 1.395 4.604 ( 1.305 0.000 -0.406) 1.366 4.823 ( -3.308 0.000 5.712) 6.601 5.075 ( -0.283 0.000 -7.065) 7.071 5.198 ( -1.685 0.000 6.020) 6.252 5.220 ( 6.602 0.000 0.981) 6.675 5.284 ( -3.493 0.000 -3.091) 4.664 5.445 ( -0.957 0.000 -6.695) 6.763 5.681 ( -5.897 0.000 -8.883) 10.663 5.817 ( 1.488 0.000 -1.936) 2.442 6.238 ( -3.276 0.000 1.286) 3.519 6.391 ( -3.562 0.000 0.956) 3.688 6.515 ( -0.880 0.000 -4.869) 4.948 6.518 ( -1.098 0.000 4.115) 4.259 6.780 ( 1.388 0.000 4.713) 4.913 6.953 ( -4.383 0.000 -4.840) 6.529 7.040 ( -5.289 0.000 4.091) 6.687 7.146 ( 2.761 0.000 1.342) 3.070 7.211 ( 0.047 0.000 -5.091) 5.091 7.372 ( 1.440 0.000 3.251) 3.555 7.455 ( -1.412 0.000 -2.522) 2.890 7.650 ( -2.794 0.000 -1.352) 3.104 7.708 ( -19.601 0.000 6.414) 20.624 7.710 ( -0.020 0.000 18.951) 18.951 7.981 ( 8.216 0.000 6.351) 10.384 8.176 ( 0.783 0.000 -0.340) 0.854 8.286 ( 8.559 0.000 4.809) 9.818 8.466 ( 1.118 0.000 -5.341) 5.457 11.520 ( -1.249 0.000 0.587) 1.380 11.543 ( -2.682 0.000 -1.044) 2.878 11.734 ( 0.337 0.000 2.883) 2.902 11.777 ( 1.660 0.000 2.169) 2.731 11.785 ( -1.640 0.000 0.181) 1.650 11.830 ( -3.593 0.000 -3.964) 5.350 13.755 ( 4.197 0.000 0.173) 4.200 13.816 ( 1.156 0.000 -1.170) 1.645 14.244 ( 7.434 0.000 -1.532) 7.591 14.664 ( 19.604 0.000 -9.618) 21.836 15.620 ( -1.140 0.000 -0.252) 1.167 15.802 ( 3.389 0.000 -3.990) 5.236 15.879 ( -2.694 0.000 0.411) 2.725 15.982 ( 3.594 0.000 -3.293) 4.875 16.062 ( -0.237 0.000 2.143) 2.156 16.134 ( -0.528 0.000 -1.429) 1.524 16.876 ( -9.323 0.000 -4.456) 10.333 17.057 ( 4.020 0.000 1.059) 4.158 17.523 ( -2.307 0.000 -1.490) 2.746 17.634 ( 4.367 0.000 0.653) 4.416 25.005 ( -0.003 0.000 0.170) 0.170 25.021 ( -0.073 0.000 -0.385) 0.392 25.526 ( 0.704 0.000 -1.035) 1.252 25.563 ( 2.786 0.000 2.360) 3.651 26.395 ( -1.405 0.000 0.362) 1.451 26.464 ( 0.526 0.000 0.122) 0.540 29.015 ( 0.152 0.000 3.664) 3.667 29.130 ( -3.023 0.000 -4.599) 5.503 29.321 ( 15.980 0.000 10.500) 19.121 29.594 ( 14.099 0.000 -21.122) 25.395 30.685 ( 4.920 0.000 0.911) 5.004 30.894 ( 4.991 0.000 -2.810) 5.728 32.933 ( 0.522 0.000 2.114) 2.178 32.940 ( -0.469 0.000 -0.128) 0.486 33.054 ( 0.382 0.000 6.628) 6.639 33.262 ( -2.609 0.000 -4.681) 5.359 33.357 ( -5.271 0.000 -5.478) 7.602 33.636 ( 9.952 0.000 -6.051) 11.647 34.565 ( -5.839 0.000 0.314) 5.847 34.886 ( -0.443 0.000 -0.467) 0.644 42.323 ( 1.245 0.000 1.224) 1.745 42.336 ( -0.633 0.000 -1.140) 1.304 43.329 ( -0.162 0.000 0.901) 0.915 43.452 ( 3.292 0.000 -1.332) 3.551 50.685 ( 5.387 0.000 8.958) 10.453 50.928 ( -3.351 0.000 -8.467) 9.106 57.151 ( -49.436 0.000 -24.774) 55.296 60.817 ( 47.135 0.000 -51.667) 69.938 ======================= Grid point 79 (27/104) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 24.650 0.000 15.909) 29.338 1.594 ( 8.354 0.000 11.985) 14.609 2.059 ( 11.705 0.000 -12.747) 17.306 2.312 ( -0.271 0.000 -4.228) 4.236 2.314 ( 5.060 0.000 11.910) 12.941 2.558 ( -0.140 0.000 -8.377) 8.378 2.652 ( -3.937 0.000 1.556) 4.234 2.655 ( -6.587 0.000 -1.037) 6.668 2.913 ( -10.366 0.000 3.708) 11.009 3.061 ( -2.710 0.000 1.325) 3.016 3.110 ( -0.644 0.000 2.856) 2.928 3.142 ( -2.639 0.000 5.449) 6.054 3.416 ( -10.196 0.000 3.070) 10.648 3.661 ( -3.912 0.000 -3.086) 4.983 3.757 ( -10.462 0.000 -3.606) 11.066 4.046 ( -1.040 0.000 -5.790) 5.883 4.080 ( -11.090 0.000 -8.754) 14.129 4.327 ( -3.008 0.000 -2.802) 4.111 4.392 ( 5.662 0.000 -7.675) 9.538 4.476 ( -7.271 0.000 5.151) 8.911 4.548 ( 1.754 0.000 -3.117) 3.576 4.620 ( -2.200 0.000 6.090) 6.475 4.820 ( -2.557 0.000 6.653) 7.128 5.017 ( 0.129 0.000 -5.302) 5.304 5.230 ( 1.942 0.000 -8.325) 8.549 5.236 ( 0.877 0.000 3.858) 3.956 5.334 ( 4.511 0.000 1.137) 4.652 5.341 ( -5.318 0.000 -4.793) 7.159 5.476 ( -8.855 0.000 -0.807) 8.892 5.745 ( -7.561 0.000 -1.338) 7.679 6.101 ( -13.569 0.000 4.026) 14.154 6.344 ( -0.809 0.000 -1.738) 1.917 6.427 ( -4.497 0.000 -6.446) 7.859 6.541 ( -0.555 0.000 3.528) 3.571 6.783 ( -4.874 0.000 -6.101) 7.809 6.801 ( -2.954 0.000 8.997) 9.470 6.978 ( -4.372 0.000 3.775) 5.776 7.145 ( -1.532 0.000 -2.419) 2.863 7.285 ( 8.988 0.000 -1.880) 9.182 7.439 ( 5.113 0.000 0.555) 5.143 7.451 ( 2.585 0.000 -3.421) 4.288 7.576 ( -3.731 0.000 1.610) 4.064 7.587 ( -1.044 0.000 -0.038) 1.045 7.860 ( 0.950 0.000 10.384) 10.427 8.211 ( 4.961 0.000 -2.257) 5.451 8.245 ( 11.947 0.000 8.564) 14.700 8.466 ( 5.752 0.000 3.497) 6.732 8.481 ( 4.113 0.000 -4.158) 5.849 11.480 ( -2.584 0.000 -1.865) 3.187 11.524 ( 0.864 0.000 1.454) 1.691 11.697 ( -6.008 0.000 -2.693) 6.584 11.749 ( -0.880 0.000 2.094) 2.271 11.757 ( -2.434 0.000 -0.348) 2.459 11.849 ( 2.376 0.000 3.936) 4.598 13.837 ( 3.158 0.000 -1.533) 3.510 13.861 ( 6.886 0.000 0.266) 6.892 14.457 ( 12.924 0.000 2.968) 13.261 14.832 ( 7.958 0.000 -5.818) 9.858 15.616 ( 0.834 0.000 0.537) 0.992 15.780 ( -1.795 0.000 -2.027) 2.708 15.817 ( -4.440 0.000 1.003) 4.552 16.004 ( 2.601 0.000 -4.700) 5.372 16.075 ( -0.507 0.000 1.972) 2.036 16.106 ( -0.798 0.000 -1.871) 2.034 16.654 ( -9.327 0.000 -5.125) 10.643 17.103 ( 0.148 0.000 1.148) 1.158 17.488 ( -0.248 0.000 -0.383) 0.456 17.703 ( 2.951 0.000 -0.524) 2.997 25.011 ( 0.395 0.000 0.391) 0.556 25.016 ( -0.052 0.000 -0.396) 0.399 25.529 ( 0.672 0.000 -2.040) 2.148 25.622 ( 0.908 0.000 2.286) 2.460 26.389 ( 0.479 0.000 0.807) 0.939 26.467 ( -0.030 0.000 -0.435) 0.436 29.029 ( -3.272 0.000 -4.140) 5.277 29.042 ( -0.728 0.000 3.121) 3.205 29.569 ( 3.780 0.000 -15.582) 16.034 29.843 ( 22.098 0.000 21.621) 30.915 30.781 ( 5.365 0.000 -1.604) 5.600 30.994 ( 9.521 0.000 -3.429) 10.120 32.925 ( -0.754 0.000 -0.983) 1.239 32.946 ( 0.006 0.000 0.304) 0.304 33.117 ( -6.577 0.000 -7.182) 9.738 33.117 ( -1.317 0.000 7.835) 7.945 33.260 ( 0.753 0.000 -4.658) 4.719 33.733 ( 6.797 0.000 -4.934) 8.399 34.429 ( -7.943 0.000 -1.972) 8.184 34.873 ( -0.750 0.000 0.617) 0.971 42.315 ( -0.433 0.000 -1.136) 1.216 42.358 ( 1.313 0.000 1.096) 1.710 43.344 ( 0.360 0.000 1.673) 1.711 43.496 ( 2.726 0.000 -1.254) 3.001 50.792 ( -2.539 0.000 -8.449) 8.822 50.872 ( 5.432 0.000 8.702) 10.258 56.029 ( -34.405 0.000 -37.451) 50.856 60.653 ( -12.171 0.000 -26.848) 29.478 ======================= Grid point 80 (28/104) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -5.109 0.000 3.000) 5.924 1.869 ( 12.095 0.000 14.664) 19.009 1.988 ( -14.935 0.000 -28.824) 32.463 2.176 ( 12.776 0.000 -12.744) 18.045 2.311 ( -13.409 0.000 8.445) 15.846 2.369 ( 4.344 0.000 -4.307) 6.117 2.590 ( -4.029 0.000 1.118) 4.182 2.744 ( 6.637 0.000 8.788) 11.013 2.887 ( -14.808 0.000 -1.476) 14.881 2.979 ( 4.400 0.000 4.940) 6.615 3.044 ( -7.985 0.000 4.126) 8.988 3.141 ( 3.378 0.000 0.903) 3.497 3.513 ( -10.185 0.000 -9.683) 14.054 3.582 ( 4.848 0.000 24.133) 24.615 3.661 ( 3.183 0.000 3.214) 4.524 3.800 ( -10.798 0.000 -4.431) 11.672 3.887 ( -7.267 0.000 -11.446) 13.558 4.149 ( -10.653 0.000 -8.151) 13.414 4.391 ( -6.254 0.000 5.557) 8.367 4.440 ( 6.321 0.000 -7.068) 9.482 4.515 ( 0.363 0.000 -7.450) 7.459 4.623 ( -5.749 0.000 10.103) 11.625 4.868 ( 1.596 0.000 5.923) 6.135 4.967 ( -1.326 0.000 -3.557) 3.796 5.048 ( -9.303 0.000 -7.842) 12.167 5.292 ( 1.772 0.000 1.874) 2.579 5.312 ( 2.460 0.000 -0.931) 2.630 5.369 ( -4.172 0.000 2.524) 4.876 5.388 ( -1.150 0.000 1.912) 2.231 5.542 ( -9.403 0.000 -5.768) 11.031 5.866 ( -14.539 0.000 4.009) 15.082 6.220 ( -8.439 0.000 -8.081) 11.684 6.330 ( 0.385 0.000 -2.048) 2.084 6.572 ( -0.202 0.000 4.942) 4.946 6.769 ( 5.925 0.000 -1.790) 6.190 6.839 ( -0.951 0.000 6.387) 6.458 6.943 ( -2.637 0.000 1.259) 2.922 7.118 ( -0.493 0.000 -0.211) 0.536 7.395 ( 4.386 0.000 0.617) 4.429 7.427 ( -0.742 0.000 -5.031) 5.086 7.508 ( 1.590 0.000 -3.501) 3.845 7.582 ( 3.182 0.000 0.548) 3.228 7.658 ( 10.158 0.000 -2.270) 10.409 7.940 ( -1.727 0.000 8.610) 8.781 8.317 ( 7.342 0.000 -0.761) 7.382 8.497 ( 5.864 0.000 3.675) 6.920 8.531 ( 4.974 0.000 -2.939) 5.777 8.609 ( 10.938 0.000 1.233) 11.008 11.411 ( -3.338 0.000 -2.041) 3.912 11.559 ( 0.848 0.000 1.483) 1.709 11.575 ( -4.379 0.000 -1.066) 4.507 11.706 ( -3.106 0.000 0.516) 3.149 11.734 ( -2.931 0.000 1.558) 3.320 11.922 ( 2.120 0.000 2.395) 3.198 13.913 ( 5.977 0.000 -0.800) 6.030 13.999 ( 7.486 0.000 0.050) 7.487 14.688 ( 6.471 0.000 5.492) 8.487 14.878 ( 2.238 0.000 -3.548) 4.195 15.631 ( -1.952 0.000 0.330) 1.980 15.718 ( -3.251 0.000 -0.955) 3.388 15.775 ( -0.917 0.000 4.252) 4.350 15.997 ( 2.037 0.000 -5.843) 6.188 16.079 ( -1.025 0.000 2.339) 2.554 16.079 ( -0.028 0.000 -1.479) 1.479 16.463 ( -6.571 0.000 -3.782) 7.582 17.090 ( -0.987 0.000 -1.715) 1.979 17.509 ( 1.213 0.000 2.342) 2.638 17.738 ( 2.033 0.000 -1.265) 2.395 25.013 ( 0.047 0.000 -0.323) 0.326 25.024 ( 0.535 0.000 0.438) 0.692 25.510 ( -0.660 0.000 -1.577) 1.709 25.637 ( -0.821 0.000 1.301) 1.538 26.426 ( 2.288 0.000 0.999) 2.497 26.459 ( 0.048 0.000 -1.029) 1.030 28.944 ( -2.481 0.000 -2.467) 3.499 29.043 ( -1.564 0.000 1.922) 2.478 29.503 ( 1.323 0.000 -7.736) 7.849 30.341 ( 7.345 0.000 18.195) 19.622 30.855 ( 3.889 0.000 -0.290) 3.900 31.217 ( 15.124 0.000 3.164) 15.451 32.869 ( -3.407 0.000 -4.237) 5.437 32.946 ( 0.030 0.000 -0.083) 0.089 32.979 ( -2.339 0.000 -1.542) 2.802 33.138 ( -3.012 0.000 5.294) 6.091 33.291 ( 6.636 0.000 -3.434) 7.471 33.805 ( 5.400 0.000 -3.815) 6.612 34.254 ( -8.066 0.000 -3.048) 8.623 34.865 ( -0.023 0.000 -1.400) 1.400 42.302 ( -0.093 0.000 -0.641) 0.648 42.387 ( 0.940 0.000 0.481) 1.056 43.365 ( -0.236 0.000 2.450) 2.462 43.528 ( 1.914 0.000 -1.150) 2.232 50.697 ( -0.559 0.000 -5.589) 5.617 51.019 ( 3.040 0.000 5.460) 6.249 55.384 ( -7.369 0.000 -17.258) 18.766 60.110 ( -19.159 0.000 -22.950) 29.896 ======================= Grid point 81 (29/104) ======================= q-point: ( 0.40 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -3.732 0.000 -18.408) 18.782 1.586 ( -5.500 0.000 4.513) 7.114 1.977 ( -5.557 0.000 6.701) 8.706 2.203 ( -11.395 0.000 18.792) 21.977 2.266 ( 5.620 0.000 -7.999) 9.776 2.522 ( 8.026 0.000 2.413) 8.381 2.574 ( 4.332 0.000 -0.703) 4.388 2.606 ( -11.798 0.000 0.667) 11.817 2.907 ( 3.030 0.000 2.977) 4.247 2.984 ( -3.660 0.000 5.197) 6.356 3.104 ( 5.443 0.000 2.845) 6.141 3.245 ( -7.107 0.000 -11.107) 13.186 3.269 ( 9.306 0.000 2.001) 9.518 3.558 ( -13.461 0.000 -12.833) 18.598 3.626 ( -3.396 0.000 -3.204) 4.669 3.745 ( -0.817 0.000 4.179) 4.258 3.814 ( -11.767 0.000 2.627) 12.057 3.883 ( 3.211 0.000 -3.196) 4.530 4.343 ( -4.061 0.000 4.547) 6.097 4.460 ( 2.646 0.000 -4.482) 5.205 4.497 ( 5.332 0.000 -6.206) 8.182 4.600 ( -6.489 0.000 10.151) 12.048 4.851 ( -7.020 0.000 -1.242) 7.129 4.952 ( 3.599 0.000 -1.577) 3.929 4.964 ( 1.670 0.000 5.807) 6.042 5.245 ( -10.122 0.000 3.241) 10.628 5.322 ( -0.520 0.000 -1.453) 1.543 5.349 ( -0.958 0.000 -9.948) 9.994 5.362 ( -0.039 0.000 2.644) 2.644 5.371 ( -1.668 0.000 -1.034) 1.962 5.694 ( -6.949 0.000 2.566) 7.407 6.027 ( -4.894 0.000 -4.850) 6.890 6.320 ( 1.116 0.000 -3.289) 3.473 6.606 ( -0.947 0.000 3.367) 3.498 6.862 ( -2.251 0.000 2.383) 3.278 6.881 ( 5.510 0.000 -0.227) 5.515 6.914 ( -0.574 0.000 2.227) 2.300 7.114 ( -0.619 0.000 1.441) 1.568 7.372 ( 0.442 0.000 -5.425) 5.443 7.464 ( 0.484 0.000 -1.735) 1.802 7.492 ( 2.995 0.000 -1.070) 3.181 7.659 ( 4.460 0.000 -0.654) 4.508 7.830 ( 9.393 0.000 -1.873) 9.578 7.951 ( -5.014 0.000 6.843) 8.483 8.424 ( 2.731 0.000 1.704) 3.219 8.574 ( 3.307 0.000 -1.528) 3.643 8.622 ( 6.889 0.000 -1.216) 6.996 8.822 ( 8.249 0.000 0.875) 8.295 11.330 ( -3.395 0.000 0.115) 3.397 11.533 ( -0.102 0.000 -0.028) 0.106 11.574 ( -0.049 0.000 0.449) 0.452 11.658 ( -2.893 0.000 1.433) 3.228 11.669 ( -4.190 0.000 -0.370) 4.207 11.958 ( 0.899 0.000 -1.227) 1.521 14.019 ( 5.118 0.000 0.187) 5.122 14.117 ( 4.994 0.000 -0.473) 5.017 14.783 ( 0.037 0.000 3.547) 3.547 14.872 ( 0.543 0.000 -2.015) 2.087 15.562 ( -3.812 0.000 0.111) 3.813 15.653 ( -2.713 0.000 -0.443) 2.749 15.811 ( -1.063 0.000 2.485) 2.703 15.973 ( 1.561 0.000 -6.366) 6.555 16.090 ( -0.098 0.000 2.605) 2.607 16.099 ( 1.570 0.000 2.345) 2.822 16.362 ( -2.039 0.000 0.323) 2.064 17.047 ( -0.523 0.000 -4.433) 4.464 17.558 ( 0.614 0.000 3.890) 3.938 17.761 ( 1.598 0.000 -1.080) 1.929 25.013 ( 0.178 0.000 -0.110) 0.209 25.035 ( 0.227 0.000 0.167) 0.282 25.490 ( -0.359 0.000 -0.129) 0.381 25.625 ( -1.229 0.000 0.309) 1.267 26.455 ( 0.598 0.000 -0.840) 1.031 26.472 ( 1.601 0.000 0.382) 1.646 28.899 ( -0.814 0.000 -0.441) 0.926 29.026 ( -1.650 0.000 1.084) 1.974 29.491 ( 2.141 0.000 -1.262) 2.485 30.428 ( -4.061 0.000 -0.539) 4.097 30.931 ( 2.834 0.000 3.842) 4.774 31.505 ( 6.944 0.000 8.061) 10.639 32.787 ( -1.150 0.000 -1.522) 1.907 32.947 ( 0.173 0.000 -0.078) 0.190 32.959 ( -0.348 0.000 0.122) 0.369 33.107 ( -3.605 0.000 1.471) 3.894 33.428 ( 7.899 0.000 1.688) 8.078 33.860 ( 3.882 0.000 -2.976) 4.892 34.106 ( -4.822 0.000 -1.143) 4.956 34.837 ( -0.084 0.000 -4.961) 4.962 42.301 ( 0.206 0.000 0.115) 0.236 42.399 ( 0.343 0.000 -0.331) 0.477 43.377 ( -0.895 0.000 2.616) 2.764 43.545 ( 1.173 0.000 -1.238) 1.705 50.675 ( 1.567 0.000 -1.195) 1.970 51.073 ( -0.216 0.000 0.597) 0.635 55.382 ( 4.988 0.000 15.346) 16.137 59.601 ( -9.944 0.000 -27.704) 29.434 ======================= Grid point 82 (30/104) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( 1.757 0.000 3.893) 4.271 1.638 ( 10.590 0.000 1.697) 10.726 1.933 ( -5.510 0.000 6.765) 8.725 2.247 ( 1.651 0.000 -8.402) 8.563 2.272 ( -3.452 0.000 26.541) 26.765 2.553 ( 2.931 0.000 7.194) 7.768 2.631 ( 2.235 0.000 6.721) 7.083 2.670 ( 5.033 0.000 -5.002) 7.096 2.890 ( -5.063 0.000 -2.864) 5.817 2.987 ( -2.868 0.000 7.115) 7.672 3.038 ( -3.823 0.000 -10.357) 11.040 3.182 ( -11.727 0.000 -15.011) 19.049 3.269 ( 10.265 0.000 1.179) 10.333 3.412 ( -8.678 0.000 -12.488) 15.208 3.564 ( 8.187 0.000 0.861) 8.233 3.615 ( 3.715 0.000 -0.772) 3.794 3.697 ( -4.418 0.000 -0.775) 4.486 3.960 ( 3.682 0.000 -4.240) 5.615 4.327 ( -2.355 0.000 4.293) 4.896 4.483 ( 2.067 0.000 -0.420) 2.109 4.579 ( -4.777 0.000 8.191) 9.482 4.611 ( 10.369 0.000 -1.648) 10.500 4.777 ( -1.889 0.000 4.405) 4.793 4.943 ( -8.008 0.000 -0.940) 8.063 5.026 ( 3.249 0.000 -2.834) 4.311 5.144 ( -2.376 0.000 3.403) 4.150 5.266 ( 6.742 0.000 -11.064) 12.956 5.308 ( 1.436 0.000 0.810) 1.649 5.366 ( -1.769 0.000 1.499) 2.319 5.399 ( 1.263 0.000 3.128) 3.373 5.619 ( -3.720 0.000 0.263) 3.729 5.971 ( 2.626 0.000 -2.928) 3.933 6.314 ( 1.399 0.000 -3.052) 3.358 6.581 ( -2.345 0.000 -2.158) 3.187 6.834 ( -2.500 0.000 3.902) 4.634 6.936 ( 0.339 0.000 -0.023) 0.340 6.944 ( 0.028 0.000 2.715) 2.716 7.131 ( 0.470 0.000 3.032) 3.068 7.345 ( 1.933 0.000 -5.666) 5.986 7.413 ( -1.099 0.000 -4.653) 4.781 7.568 ( 2.568 0.000 2.339) 3.473 7.719 ( 2.966 0.000 -1.445) 3.300 7.871 ( -8.978 0.000 3.640) 9.688 7.951 ( 4.185 0.000 0.758) 4.253 8.442 ( -2.102 0.000 1.719) 2.715 8.595 ( 0.364 0.000 -2.027) 2.060 8.722 ( 2.582 0.000 1.803) 3.149 8.880 ( -1.969 0.000 -1.770) 2.647 11.326 ( 1.868 0.000 3.087) 3.609 11.546 ( 0.817 0.000 0.236) 0.850 11.561 ( -1.463 0.000 -1.306) 1.961 11.605 ( -0.543 0.000 -1.911) 1.986 11.638 ( -0.863 0.000 2.642) 2.779 11.929 ( -1.185 0.000 -4.210) 4.373 14.077 ( 0.274 0.000 0.767) 0.814 14.157 ( -0.141 0.000 -1.056) 1.065 14.781 ( -2.344 0.000 1.654) 2.869 14.878 ( 1.659 0.000 -0.759) 1.825 15.533 ( 0.495 0.000 1.058) 1.168 15.623 ( 0.137 0.000 -0.557) 0.574 15.775 ( -3.029 0.000 -0.640) 3.096 15.946 ( 1.632 0.000 -5.530) 5.766 16.120 ( 0.757 0.000 2.420) 2.536 16.131 ( -0.745 0.000 1.990) 2.125 16.408 ( 2.937 0.000 6.717) 7.331 16.992 ( 0.161 0.000 -6.905) 6.906 17.593 ( -0.950 0.000 4.388) 4.489 17.775 ( 0.771 0.000 -0.801) 1.112 25.017 ( 0.247 0.000 0.178) 0.304 25.034 ( -0.301 0.000 -0.205) 0.364 25.503 ( 1.126 0.000 1.424) 1.815 25.602 ( -0.896 0.000 -0.824) 1.217 26.465 ( 0.794 0.000 -0.130) 0.804 26.480 ( -0.748 0.000 -0.508) 0.904 28.909 ( 1.363 0.000 1.402) 1.956 29.003 ( -1.217 0.000 -0.238) 1.240 29.569 ( 4.680 0.000 5.227) 7.016 30.254 ( -7.653 0.000 -11.768) 14.038 31.031 ( 1.588 0.000 9.083) 9.221 31.569 ( -4.392 0.000 1.758) 4.731 32.814 ( 3.323 0.000 2.672) 4.264 32.951 ( 0.204 0.000 0.090) 0.223 32.956 ( -0.103 0.000 0.072) 0.126 33.039 ( -3.150 0.000 -2.355) 3.933 33.543 ( 0.048 0.000 4.832) 4.832 33.893 ( 2.227 0.000 -2.100) 3.061 34.098 ( 3.122 0.000 3.780) 4.902 34.765 ( -0.614 0.000 -9.558) 9.578 42.311 ( 0.373 0.000 0.837) 0.917 42.393 ( -0.300 0.000 -1.068) 1.109 43.383 ( -1.089 0.000 2.632) 2.848 43.549 ( 0.610 0.000 -1.336) 1.469 50.729 ( 3.171 0.000 3.053) 4.402 51.026 ( -3.085 0.000 -3.812) 4.904 55.754 ( 6.819 0.000 39.459) 40.044 59.260 ( 5.394 0.000 -37.959) 38.341 ======================= Grid point 83 (31/104) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.982 0.000 4.828) 4.927 1.827 ( -12.797 0.000 -0.013) 12.797 1.949 ( 15.022 0.000 6.179) 16.243 2.194 ( 2.714 0.000 -11.111) 11.438 2.505 ( 3.407 0.000 16.260) 16.613 2.650 ( -9.181 0.000 -2.843) 9.611 2.700 ( -0.265 0.000 -14.105) 14.108 2.731 ( -0.495 0.000 5.168) 5.192 2.798 ( -9.758 0.000 5.421) 11.163 2.841 ( 9.794 0.000 8.397) 12.901 2.935 ( 0.978 0.000 0.423) 1.065 3.064 ( 2.088 0.000 0.394) 2.124 3.069 ( -7.346 0.000 -7.542) 10.528 3.490 ( 11.012 0.000 -1.374) 11.097 3.587 ( -1.580 0.000 -3.962) 4.265 3.777 ( 10.570 0.000 4.411) 11.454 3.839 ( 15.262 0.000 -2.469) 15.461 3.985 ( 6.572 0.000 -7.471) 9.950 4.320 ( -1.161 0.000 0.537) 1.279 4.535 ( 2.923 0.000 0.320) 2.940 4.582 ( -1.255 0.000 5.401) 5.544 4.741 ( -7.645 0.000 -7.474) 10.691 4.780 ( 10.272 0.000 -0.994) 10.320 4.861 ( 0.017 0.000 8.291) 8.291 5.034 ( 5.437 0.000 -2.223) 5.874 5.189 ( 2.757 0.000 0.340) 2.778 5.305 ( -1.942 0.000 -0.813) 2.105 5.356 ( 0.377 0.000 2.789) 2.814 5.378 ( 10.289 0.000 -5.668) 11.747 5.481 ( 3.388 0.000 3.475) 4.853 5.556 ( -2.825 0.000 0.062) 2.825 6.073 ( 11.315 0.000 -2.710) 11.635 6.318 ( 1.519 0.000 -1.616) 2.218 6.498 ( -2.362 0.000 -5.239) 5.747 6.849 ( -1.246 0.000 6.491) 6.609 6.906 ( -3.146 0.000 0.841) 3.256 6.936 ( -3.346 0.000 0.919) 3.470 7.179 ( 0.944 0.000 3.925) 4.037 7.330 ( 2.132 0.000 -6.443) 6.786 7.348 ( -1.310 0.000 -4.578) 4.762 7.604 ( -0.647 0.000 1.158) 1.326 7.693 ( -9.043 0.000 -1.527) 9.171 7.752 ( -0.015 0.000 -0.132) 0.132 7.992 ( -2.920 0.000 5.438) 6.173 8.391 ( -4.338 0.000 0.774) 4.406 8.530 ( -6.367 0.000 -2.387) 6.800 8.734 ( -9.753 0.000 -3.101) 10.234 8.735 ( -3.455 0.000 3.299) 4.777 11.447 ( 6.202 0.000 5.045) 7.995 11.516 ( -0.793 0.000 -2.922) 3.028 11.561 ( 0.779 0.000 0.827) 1.136 11.605 ( 1.974 0.000 -2.434) 3.134 11.677 ( 1.858 0.000 3.152) 3.659 11.854 ( -2.080 0.000 -4.529) 4.984 14.045 ( -4.312 0.000 1.228) 4.484 14.094 ( -5.089 0.000 -1.445) 5.290 14.735 ( -4.192 0.000 1.225) 4.367 14.919 ( 2.932 0.000 0.123) 2.935 15.597 ( 4.518 0.000 1.808) 4.866 15.648 ( 3.253 0.000 -1.129) 3.444 15.707 ( -3.294 0.000 -0.641) 3.356 15.938 ( 2.333 0.000 -3.986) 4.619 16.128 ( -0.566 0.000 1.001) 1.149 16.158 ( 0.842 0.000 2.406) 2.549 16.553 ( 4.453 0.000 8.657) 9.735 16.924 ( 0.595 0.000 -9.720) 9.739 17.605 ( -1.964 0.000 4.435) 4.850 17.771 ( -0.457 0.000 -1.006) 1.105 25.022 ( -0.587 0.000 -0.353) 0.685 25.024 ( 0.184 0.000 0.385) 0.427 25.552 ( 2.111 0.000 2.334) 3.147 25.579 ( -0.258 0.000 -1.811) 1.829 26.442 ( -2.412 0.000 -0.802) 2.542 26.475 ( 0.169 0.000 0.128) 0.212 28.972 ( 3.364 0.000 2.644) 4.279 28.977 ( -0.649 0.000 -1.733) 1.851 29.762 ( 7.764 0.000 11.702) 14.043 29.960 ( -10.252 0.000 -15.422) 18.518 31.148 ( -0.662 0.000 14.094) 14.109 31.416 ( -10.202 0.000 -3.124) 10.670 32.924 ( 2.287 0.000 2.573) 3.442 32.941 ( -2.028 0.000 -2.483) 3.206 32.969 ( 0.048 0.000 -2.366) 2.366 32.980 ( 4.773 0.000 2.536) 5.404 33.532 ( -5.271 0.000 5.666) 7.739 33.906 ( 0.845 0.000 -0.974) 1.289 34.252 ( 6.686 0.000 6.970) 9.659 34.637 ( -0.998 0.000 -15.326) 15.359 42.328 ( 0.414 0.000 1.283) 1.348 42.370 ( -0.837 0.000 -1.513) 1.730 43.385 ( -1.279 0.000 2.653) 2.945 43.546 ( 0.305 0.000 -1.156) 1.196 50.838 ( 3.987 0.000 5.742) 6.990 50.900 ( -5.268 0.000 -6.482) 8.353 56.332 ( 9.975 0.000 52.836) 53.770 59.076 ( 19.875 0.000 -56.408) 59.807 ======================= Grid point 84 (32/104) ======================= q-point: (-0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -21.337 0.000 -18.054) 27.950 1.553 ( -9.974 0.000 -0.031) 9.974 2.130 ( -5.767 0.000 -7.796) 9.698 2.187 ( 4.202 0.000 3.073) 5.206 2.214 ( -23.617 0.000 -0.797) 23.630 2.434 ( -2.955 0.000 -3.655) 4.700 2.620 ( 0.436 0.000 -3.655) 3.681 2.795 ( -0.638 0.000 7.193) 7.221 2.987 ( 10.562 0.000 -2.666) 10.893 3.019 ( 5.640 0.000 9.900) 11.394 3.059 ( 6.164 0.000 3.623) 7.150 3.120 ( 1.084 0.000 6.088) 6.183 3.165 ( 12.169 0.000 2.412) 12.406 3.599 ( 9.087 0.000 2.396) 9.397 3.689 ( 10.786 0.000 -0.103) 10.787 3.995 ( 8.066 0.000 -7.130) 10.766 4.069 ( 14.133 0.000 6.306) 15.476 4.096 ( 7.530 0.000 -4.278) 8.660 4.300 ( 3.247 0.000 -5.281) 6.200 4.533 ( -3.268 0.000 -11.439) 11.897 4.567 ( 0.028 0.000 -0.000) 0.028 4.673 ( 3.405 0.000 6.038) 6.932 4.817 ( -4.888 0.000 3.112) 5.795 5.036 ( 11.843 0.000 3.239) 12.278 5.185 ( -1.650 0.000 -3.417) 3.795 5.205 ( 11.281 0.000 -2.515) 11.558 5.235 ( -3.870 0.000 0.103) 3.871 5.384 ( -0.159 0.000 3.414) 3.418 5.505 ( 2.373 0.000 -5.234) 5.747 5.558 ( 3.145 0.000 3.036) 4.371 5.613 ( 13.299 0.000 -0.163) 13.300 6.296 ( 10.079 0.000 0.361) 10.085 6.351 ( 6.250 0.000 -2.437) 6.708 6.420 ( -0.664 0.000 -4.819) 4.865 6.817 ( -8.075 0.000 -3.113) 8.654 6.876 ( -0.708 0.000 3.058) 3.139 6.900 ( -1.063 0.000 8.156) 8.225 7.215 ( -0.914 0.000 0.919) 1.296 7.286 ( -1.168 0.000 -3.972) 4.140 7.307 ( 1.872 0.000 -4.070) 4.480 7.523 ( -6.582 0.000 -1.704) 6.799 7.569 ( -3.211 0.000 -0.661) 3.278 7.747 ( 0.550 0.000 -2.853) 2.905 7.951 ( -9.073 0.000 11.088) 14.327 8.283 ( -16.050 0.000 -3.754) 16.483 8.309 ( -4.785 0.000 0.286) 4.793 8.548 ( -7.879 0.000 -1.569) 8.034 8.675 ( -5.287 0.000 2.296) 5.764 11.480 ( -0.236 0.000 -2.518) 2.529 11.556 ( 0.428 0.000 3.629) 3.655 11.623 ( 2.520 0.000 -2.870) 3.820 11.643 ( 6.275 0.000 2.081) 6.611 11.757 ( 3.615 0.000 3.774) 5.226 11.789 ( -1.208 0.000 -2.548) 2.820 13.960 ( -5.636 0.000 1.110) 5.744 13.962 ( -7.148 0.000 -1.627) 7.331 14.646 ( -7.384 0.000 2.480) 7.790 14.977 ( 2.633 0.000 0.702) 2.725 15.651 ( -2.305 0.000 1.327) 2.660 15.710 ( 4.592 0.000 -1.668) 4.886 15.714 ( 5.782 0.000 0.992) 5.866 15.959 ( 2.816 0.000 -2.162) 3.550 16.135 ( 0.451 0.000 0.608) 0.757 16.195 ( 0.696 0.000 2.686) 2.775 16.720 ( 5.463 0.000 7.761) 9.491 16.833 ( 0.934 0.000 -13.492) 13.525 17.607 ( -1.847 0.000 3.836) 4.258 17.736 ( -2.015 0.000 -1.769) 2.681 25.010 ( -0.447 0.000 -0.224) 0.500 25.030 ( 0.033 0.000 0.391) 0.393 25.557 ( -0.247 0.000 -2.298) 2.311 25.608 ( 1.226 0.000 2.370) 2.668 26.396 ( -1.661 0.000 -0.055) 1.662 26.470 ( -0.603 0.000 -0.356) 0.700 28.950 ( -0.255 0.000 -2.253) 2.267 29.071 ( 4.327 0.000 2.744) 5.124 29.619 ( -12.301 0.000 -12.338) 17.422 30.058 ( 10.210 0.000 15.985) 18.967 31.185 ( -10.119 0.000 -4.355) 11.017 31.261 ( -3.452 0.000 19.394) 19.699 32.864 ( -1.390 0.000 -5.071) 5.258 32.938 ( -0.105 0.000 0.286) 0.304 32.972 ( 0.605 0.000 -0.260) 0.659 33.165 ( 8.985 0.000 4.676) 10.129 33.482 ( -5.546 0.000 5.853) 8.063 33.909 ( 0.206 0.000 -0.656) 0.688 34.431 ( 5.314 0.000 6.849) 8.668 34.443 ( -1.337 0.000 -23.202) 23.241 42.338 ( -1.107 0.000 -1.523) 1.883 42.347 ( 0.333 0.000 1.306) 1.347 43.383 ( -1.675 0.000 2.562) 3.062 43.543 ( 0.356 0.000 -0.399) 0.535 50.730 ( -6.211 0.000 -6.616) 9.075 50.966 ( 3.769 0.000 5.989) 7.076 57.066 ( 14.502 0.000 56.148) 57.991 58.857 ( 25.756 0.000 -91.968) 95.506 ======================= Grid point 85 (33/104) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -23.231 0.000 -20.521) 30.997 1.195 ( -26.346 0.000 -0.115) 26.346 1.634 ( -38.106 0.000 18.136) 42.202 2.108 ( 0.179 0.000 -5.403) 5.406 2.125 ( -10.517 0.000 -5.111) 11.693 2.427 ( 3.058 0.000 -5.552) 6.338 2.610 ( 4.103 0.000 -0.797) 4.180 2.813 ( -2.201 0.000 2.914) 3.652 3.074 ( -4.467 0.000 0.508) 4.496 3.093 ( 0.865 0.000 -4.209) 4.297 3.198 ( 6.897 0.000 2.507) 7.339 3.210 ( 14.019 0.000 2.600) 14.258 3.587 ( 23.116 0.000 4.521) 23.554 3.799 ( 7.727 0.000 3.606) 8.527 3.953 ( 10.139 0.000 8.449) 13.197 3.955 ( -5.033 0.000 -8.913) 10.236 4.168 ( 6.966 0.000 -6.756) 9.705 4.344 ( 0.754 0.000 -5.398) 5.450 4.362 ( 11.885 0.000 2.912) 12.236 4.460 ( 10.576 0.000 -8.536) 13.591 4.539 ( -2.224 0.000 -0.632) 2.312 4.758 ( -4.582 0.000 3.077) 5.519 4.799 ( 3.594 0.000 4.059) 5.421 5.104 ( -2.226 0.000 -4.291) 4.835 5.173 ( -4.031 0.000 2.179) 4.583 5.190 ( 3.356 0.000 -3.159) 4.609 5.360 ( 4.479 0.000 4.361) 6.251 5.414 ( 3.854 0.000 -1.030) 3.989 5.480 ( -0.754 0.000 -3.401) 3.483 5.698 ( 10.823 0.000 -2.906) 11.207 5.832 ( 10.940 0.000 -6.433) 12.692 6.368 ( -0.275 0.000 5.752) 5.759 6.396 ( 1.891 0.000 -3.565) 4.035 6.517 ( 9.031 0.000 -3.843) 9.815 6.602 ( -11.008 0.000 -1.465) 11.105 6.957 ( 5.063 0.000 2.858) 5.814 6.965 ( 0.845 0.000 6.625) 6.679 7.154 ( -0.502 0.000 -5.978) 5.999 7.238 ( -0.449 0.000 -2.732) 2.769 7.360 ( 1.904 0.000 3.299) 3.809 7.424 ( -1.048 0.000 -2.740) 2.934 7.483 ( -5.155 0.000 -0.978) 5.247 7.720 ( -0.900 0.000 -2.534) 2.689 7.908 ( -8.355 0.000 18.666) 20.450 7.968 ( -12.520 0.000 -2.890) 12.849 8.233 ( -3.905 0.000 1.392) 4.146 8.393 ( -8.406 0.000 0.042) 8.406 8.595 ( -4.287 0.000 0.067) 4.288 11.470 ( 1.193 0.000 -1.404) 1.842 11.586 ( 0.115 0.000 2.124) 2.127 11.642 ( 1.876 0.000 -1.773) 2.581 11.744 ( 3.036 0.000 1.514) 3.393 11.762 ( -0.392 0.000 -0.476) 0.616 11.869 ( 3.956 0.000 3.395) 5.213 13.823 ( -5.927 0.000 -1.461) 6.104 13.872 ( -4.234 0.000 0.083) 4.234 14.513 ( -10.168 0.000 4.179) 10.993 15.020 ( 1.427 0.000 -0.100) 1.431 15.640 ( -0.484 0.000 1.577) 1.649 15.775 ( 4.078 0.000 -2.523) 4.795 15.820 ( 4.283 0.000 1.121) 4.427 15.995 ( 2.297 0.000 -0.530) 2.357 16.151 ( 0.689 0.000 0.221) 0.723 16.230 ( 0.590 0.000 1.010) 1.170 16.700 ( 0.306 0.000 -19.040) 19.042 16.890 ( 6.167 0.000 5.724) 8.414 17.607 ( -1.349 0.000 2.316) 2.680 17.664 ( -3.545 0.000 -2.495) 4.335 25.004 ( -0.085 0.000 0.005) 0.086 25.032 ( -0.098 0.000 0.169) 0.195 25.525 ( -0.993 0.000 -1.977) 2.212 25.637 ( -0.204 0.000 2.678) 2.686 26.389 ( 0.333 0.000 0.952) 1.008 26.452 ( -0.532 0.000 -0.913) 1.056 28.928 ( -0.096 0.000 -1.606) 1.609 29.162 ( 3.025 0.000 0.510) 3.067 29.316 ( -10.857 0.000 -4.809) 11.874 30.393 ( 9.885 0.000 13.510) 16.741 30.993 ( -6.366 0.000 -3.786) 7.407 31.413 ( -1.542 0.000 28.094) 28.136 32.813 ( 0.079 0.000 -2.944) 2.945 32.939 ( 0.090 0.000 0.152) 0.177 32.981 ( 0.529 0.000 -0.026) 0.530 33.357 ( 7.574 0.000 2.599) 8.007 33.438 ( -4.392 0.000 4.561) 6.332 33.836 ( -2.865 0.000 -26.243) 26.399 34.181 ( -2.637 0.000 -16.189) 16.403 34.562 ( 2.789 0.000 5.471) 6.141 42.306 ( -0.933 0.000 -1.035) 1.393 42.362 ( 0.106 0.000 0.874) 0.880 43.370 ( -2.013 0.000 2.244) 3.014 43.557 ( 1.088 0.000 0.812) 1.357 50.573 ( -5.035 0.000 -3.883) 6.359 51.070 ( 2.300 0.000 3.630) 4.297 57.809 ( 11.322 0.000 48.707) 50.006 58.075 ( 3.271 0.000 -161.085) 161.118 ======================= Grid point 86 (34/104) ======================= q-point: (-0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.518 ( -4.530 0.000 36.617) 36.896 0.709 ( -28.630 0.000 14.155) 31.938 1.133 ( -39.648 0.000 32.034) 50.972 1.809 ( -12.160 0.000 -5.937) 13.532 2.065 ( -0.281 0.000 -4.108) 4.117 2.426 ( 3.266 0.000 -5.642) 6.519 2.735 ( 7.402 0.000 0.105) 7.403 2.782 ( -2.230 0.000 0.247) 2.244 3.000 ( -3.939 0.000 1.329) 4.157 3.065 ( 2.924 0.000 -4.337) 5.231 3.354 ( 8.140 0.000 -0.134) 8.141 3.495 ( 11.715 0.000 0.459) 11.724 3.734 ( -5.277 0.000 -9.877) 11.198 3.912 ( 0.636 0.000 -3.879) 3.931 3.923 ( 2.088 0.000 2.469) 3.233 4.124 ( 0.359 0.000 7.383) 7.392 4.141 ( 5.407 0.000 -4.314) 6.917 4.381 ( 4.159 0.000 3.314) 5.318 4.472 ( -2.026 0.000 0.596) 2.112 4.532 ( 3.794 0.000 -4.222) 5.676 4.568 ( 4.341 0.000 -9.726) 10.651 4.689 ( -5.392 0.000 0.264) 5.398 4.854 ( 0.348 0.000 0.940) 1.002 5.035 ( -0.284 0.000 -5.630) 5.637 5.163 ( -1.052 0.000 8.076) 8.144 5.164 ( 1.968 0.000 -8.048) 8.285 5.422 ( -0.247 0.000 2.727) 2.738 5.457 ( 3.313 0.000 6.971) 7.718 5.507 ( 4.977 0.000 -3.009) 5.816 5.827 ( 8.012 0.000 -9.441) 12.383 5.885 ( 3.948 0.000 -0.828) 4.034 6.370 ( -2.705 0.000 1.697) 3.194 6.414 ( -0.846 0.000 6.074) 6.133 6.505 ( -1.238 0.000 3.081) 3.320 6.589 ( 1.952 0.000 -1.853) 2.691 7.011 ( 0.461 0.000 -0.875) 0.990 7.046 ( 2.587 0.000 2.416) 3.540 7.193 ( 7.112 0.000 -1.186) 7.210 7.235 ( 1.631 0.000 0.756) 1.798 7.317 ( -2.765 0.000 0.734) 2.861 7.362 ( -8.654 0.000 2.023) 8.887 7.506 ( 4.258 0.000 1.034) 4.382 7.675 ( -0.740 0.000 0.296) 0.797 7.827 ( -1.535 0.000 -1.217) 1.959 8.083 ( 7.590 0.000 11.983) 14.185 8.243 ( 2.543 0.000 15.166) 15.377 8.248 ( -7.704 0.000 1.356) 7.822 8.585 ( 7.544 0.000 9.346) 12.011 11.495 ( 2.036 0.000 -0.249) 2.051 11.591 ( -0.699 0.000 -0.517) 0.869 11.663 ( 1.273 0.000 0.218) 1.291 11.757 ( -0.381 0.000 0.626) 0.733 11.796 ( 1.553 0.000 0.880) 1.785 11.936 ( 0.814 0.000 1.001) 1.290 13.734 ( -2.556 0.000 -0.353) 2.581 13.815 ( -1.345 0.000 -1.211) 1.810 14.360 ( -10.073 0.000 3.712) 10.735 14.909 ( -16.098 0.000 -27.717) 32.052 15.650 ( -0.216 0.000 1.284) 1.302 15.743 ( -6.840 0.000 -13.413) 15.057 15.886 ( 1.965 0.000 0.758) 2.106 16.026 ( 0.854 0.000 -0.290) 0.902 16.066 ( -10.856 0.000 -18.676) 21.601 16.158 ( 0.133 0.000 -0.314) 0.341 16.599 ( 5.607 0.000 2.858) 6.293 17.031 ( 4.042 0.000 2.643) 4.829 17.575 ( -3.035 0.000 -2.020) 3.646 17.599 ( -1.100 0.000 1.128) 1.576 25.005 ( 0.088 0.000 0.108) 0.140 25.029 ( -0.154 0.000 -0.231) 0.278 25.494 ( -0.678 0.000 -0.743) 1.006 25.675 ( 1.607 0.000 2.745) 3.181 26.411 ( 0.573 0.000 1.115) 1.254 26.441 ( 0.322 0.000 -0.784) 0.847 28.917 ( -0.261 0.000 -0.187) 0.321 29.099 ( -5.336 0.000 -0.831) 5.401 29.235 ( 0.308 0.000 -0.033) 0.310 30.591 ( 2.256 0.000 3.418) 4.095 30.886 ( -2.061 0.000 -2.910) 3.566 31.490 ( -33.369 0.000 -57.720) 66.671 32.819 ( 1.290 0.000 1.089) 1.688 32.943 ( 0.160 0.000 0.115) 0.197 32.986 ( -2.721 0.000 -4.625) 5.367 33.019 ( -19.842 0.000 -26.007) 32.712 33.393 ( -3.962 0.000 2.844) 4.877 33.476 ( 3.969 0.000 -1.427) 4.218 34.287 ( 12.968 0.000 19.372) 23.312 34.631 ( 0.034 0.000 3.897) 3.898 42.289 ( -0.258 0.000 -0.158) 0.303 42.366 ( -0.226 0.000 0.141) 0.266 43.351 ( -1.923 0.000 1.652) 2.536 43.575 ( -0.698 0.000 -5.134) 5.181 50.495 ( -1.606 0.000 0.993) 1.888 51.105 ( -0.132 0.000 -0.583) 0.598 55.763 ( -68.352 0.000 -120.534) 138.566 58.248 ( -6.682 0.000 31.382) 32.086 ======================= Grid point 87 (35/104) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.853 ( -0.453 18.597 20.276) 27.517 0.984 ( -9.839 24.019 21.186) 33.505 1.682 ( 2.226 33.040 30.877) 45.276 1.796 ( 10.485 6.650 4.703) 13.277 2.056 ( -1.729 2.961 -0.857) 3.535 2.594 ( 6.286 11.363 -10.690) 16.820 2.762 ( 1.098 -9.110 -1.385) 9.280 2.936 ( -0.425 13.946 -0.720) 13.971 3.005 ( 0.761 -1.541 -2.391) 2.944 3.021 ( 2.457 4.920 2.270) 5.950 3.387 ( -4.094 -1.277 -7.018) 8.225 3.544 ( -5.364 5.095 -3.842) 8.336 3.799 ( 3.185 -0.436 0.529) 3.258 3.849 ( 1.924 -4.935 0.444) 5.316 4.063 ( -0.306 0.375 -1.417) 1.497 4.146 ( -1.965 4.449 0.918) 4.950 4.172 ( 1.476 3.209 1.086) 3.696 4.390 ( 0.725 -1.915 -3.355) 3.930 4.452 ( -3.033 0.453 -11.336) 11.744 4.521 ( -1.354 -3.350 -4.567) 5.824 4.543 ( 2.945 1.655 1.564) 3.723 4.741 ( -4.805 7.391 4.216) 9.772 4.874 ( -1.488 8.096 3.098) 8.795 5.067 ( 3.502 -2.174 1.440) 4.367 5.083 ( 2.572 -0.832 3.233) 4.214 5.218 ( 0.553 -0.503 -2.256) 2.377 5.433 ( 2.132 -4.356 -3.956) 6.258 5.466 ( -2.613 -0.228 -2.938) 3.938 5.604 ( 3.918 -5.308 -0.669) 6.631 5.808 ( 1.839 -2.804 -0.744) 3.435 5.960 ( 12.530 -8.904 6.193) 16.572 6.314 ( -2.523 -3.206 8.041) 9.017 6.457 ( 0.911 -4.604 -4.469) 6.481 6.496 ( 0.470 1.961 -0.443) 2.064 6.618 ( -4.431 0.620 5.341) 6.967 6.897 ( -1.010 -9.531 -1.558) 9.710 7.008 ( -2.108 -8.704 5.451) 10.485 7.110 ( 0.127 -9.401 1.885) 9.589 7.169 ( 3.150 -3.380 4.385) 6.370 7.241 ( 3.181 -8.722 3.166) 9.809 7.279 ( -4.391 -11.527 7.769) 14.578 7.364 ( -5.393 -5.710 1.403) 7.978 7.498 ( -3.418 -2.098 -1.113) 4.162 7.644 ( 3.149 -2.466 -4.267) 5.848 7.929 ( 4.995 8.987 4.383) 11.177 8.339 ( -3.163 6.715 -5.169) 9.045 8.592 ( 2.812 23.738 8.609) 25.407 9.594 ( -8.121 6.955 -16.956) 20.046 11.560 ( -0.014 3.044 0.429) 3.074 11.584 ( 0.558 0.632 -0.069) 0.846 11.739 ( 1.289 2.902 1.099) 3.360 11.750 ( -0.232 -0.633 0.845) 1.081 11.791 ( 0.029 -0.223 0.204) 0.304 12.028 ( -5.330 14.032 -6.456) 16.339 14.005 ( 3.087 6.533 1.378) 7.356 14.051 ( -1.075 7.487 3.668) 8.406 14.129 ( -3.560 -9.554 -0.492) 10.208 15.062 ( -12.803 41.609 -41.474) 60.127 15.541 ( -6.307 -6.458 -1.092) 9.093 15.554 ( 16.133 -0.983 -4.919) 16.895 15.981 ( 3.069 -3.095 0.379) 4.375 16.043 ( -1.779 3.483 -0.589) 3.955 16.089 ( -3.982 6.065 0.330) 7.263 16.120 ( 4.268 -1.087 0.053) 4.404 16.844 ( 9.697 1.238 6.825) 11.922 17.090 ( -4.238 3.608 -0.934) 5.644 17.575 ( -2.101 -0.238 -0.408) 2.154 17.754 ( 1.663 6.636 -13.166) 14.837 25.279 ( -0.006 22.463 2.303) 22.580 25.543 ( 2.167 4.120 1.420) 4.867 25.562 ( 1.739 5.962 -1.770) 6.457 26.355 ( -3.601 0.293 -5.262) 6.383 26.408 ( 0.525 -1.764 -0.817) 2.014 26.802 ( -18.440 81.269 -78.206) 114.284 28.597 ( 4.774 -20.598 5.264) 21.789 29.117 ( -6.242 -7.021 -5.869) 11.077 29.418 ( 1.989 17.756 1.420) 17.923 29.618 ( -7.287 8.670 -3.600) 11.884 30.577 ( -0.652 -4.221 2.805) 5.110 30.830 ( 0.407 -3.388 -5.177) 6.200 32.880 ( 1.977 0.424 4.535) 4.965 32.988 ( -0.401 3.561 0.199) 3.589 33.058 ( 0.919 4.067 2.785) 5.014 33.327 ( 8.503 -2.840 1.905) 9.165 33.340 ( 9.002 -2.776 1.963) 9.623 33.510 ( -1.181 3.613 -5.061) 6.330 34.341 ( 8.846 -26.709 22.246) 35.868 34.560 ( -2.799 -6.834 1.314) 7.501 42.430 ( -0.625 6.708 -0.210) 6.740 42.581 ( -0.843 14.938 -11.436) 18.832 43.300 ( -1.208 -3.162 0.982) 3.524 43.388 ( -0.471 -3.254 -0.873) 3.402 51.417 ( -5.180 36.657 -6.704) 37.623 51.610 ( -13.801 66.199 -40.587) 78.867 57.113 ( 161.577 -83.237 59.867) 191.363 57.684 ( -30.085 -34.103 2.894) 45.569 ======================= Grid point 88 (36/104) ======================= q-point: ( 0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.995 ( 6.767 17.493 17.128) 25.400 1.325 ( 14.908 12.538 22.691) 29.905 1.959 ( 4.112 -2.491 -9.011) 10.213 2.038 ( 8.133 10.658 16.215) 21.040 2.223 ( 11.225 10.457 13.977) 20.754 2.606 ( 5.714 8.277 -11.358) 15.171 2.732 ( -1.462 -6.518 0.076) 6.681 2.921 ( -0.094 13.581 -2.256) 13.768 3.022 ( 2.466 2.528 4.655) 5.843 3.114 ( 2.429 5.873 4.214) 7.626 3.211 ( -10.149 -0.455 -3.105) 10.623 3.354 ( -9.071 5.909 -5.272) 12.041 3.696 ( -7.082 -1.842 -2.441) 7.714 3.919 ( -9.883 10.061 -5.800) 15.249 3.986 ( 4.374 -1.742 -2.689) 5.422 4.012 ( -11.194 4.811 -2.581) 12.454 4.152 ( -0.663 -8.072 -2.430) 8.456 4.318 ( 5.034 -0.110 -13.069) 14.005 4.339 ( -5.574 -4.897 -2.022) 7.690 4.519 ( 2.757 -1.523 0.030) 3.150 4.619 ( 2.516 5.772 2.023) 6.613 4.712 ( -3.876 4.843 6.361) 8.885 4.881 ( -1.529 9.777 3.196) 10.399 5.096 ( -0.014 1.229 0.470) 1.316 5.188 ( 1.175 -1.662 0.628) 2.130 5.208 ( 2.627 -1.007 2.144) 3.537 5.360 ( -4.110 5.481 -0.436) 6.865 5.403 ( 2.047 -2.957 -11.217) 11.779 5.587 ( -3.360 -4.621 -1.688) 5.958 5.819 ( -2.142 -1.056 1.636) 2.895 6.147 ( -0.104 -12.056 2.616) 12.337 6.321 ( -4.141 -5.458 6.191) 9.234 6.387 ( -0.324 -7.666 -8.163) 11.203 6.536 ( 0.576 0.536 2.468) 2.590 6.600 ( -2.010 -5.718 6.642) 8.992 6.865 ( -1.298 -7.162 -2.168) 7.595 7.009 ( -4.424 -4.073 3.125) 6.777 7.104 ( -1.485 -4.027 3.348) 5.443 7.191 ( 1.360 -6.103 1.365) 6.400 7.297 ( 0.036 -4.831 -3.854) 6.180 7.318 ( 0.276 -15.813 3.780) 16.261 7.407 ( 4.802 -10.349 7.191) 13.486 7.490 ( 3.703 -0.616 -1.995) 4.252 7.693 ( 4.813 -0.567 -0.045) 4.847 8.131 ( 10.088 7.110 5.990) 13.719 8.228 ( -1.927 5.081 -6.392) 8.390 8.606 ( -10.093 25.059 5.134) 27.499 9.205 ( -11.193 26.751 -6.478) 29.713 11.535 ( -1.966 1.446 -0.048) 2.441 11.571 ( -2.505 2.800 0.178) 3.761 11.737 ( -0.954 0.115 0.752) 1.220 11.778 ( -1.788 -0.498 0.412) 1.902 11.803 ( 2.726 4.456 3.982) 6.568 11.861 ( -5.085 7.482 -4.872) 10.275 13.944 ( -4.464 10.839 -0.612) 11.738 14.003 ( -3.437 -1.781 1.369) 4.106 14.239 ( 9.251 8.452 2.858) 12.853 14.744 ( 3.512 11.117 -14.922) 18.937 15.483 ( -0.516 -7.490 -0.305) 7.514 15.717 ( 6.182 -2.197 -5.155) 8.344 15.944 ( -6.689 -3.146 -0.318) 7.399 15.984 ( -1.989 -4.050 -0.234) 4.518 16.091 ( 3.243 6.691 -1.655) 7.618 16.188 ( 2.543 3.994 -0.013) 4.735 16.923 ( -8.448 4.623 -4.465) 10.615 17.061 ( 6.302 2.289 5.081) 8.413 17.522 ( -2.164 -0.189 -1.658) 2.733 17.719 ( 3.100 4.534 -4.814) 7.304 25.282 ( -1.898 21.756 2.663) 22.001 25.563 ( -3.086 5.214 -0.771) 6.107 25.609 ( -0.459 11.801 -0.048) 11.810 25.736 ( -14.759 44.664 -17.426) 50.163 26.394 ( -0.890 1.680 -0.698) 2.025 26.439 ( 0.157 -0.994 -0.504) 1.126 28.742 ( 3.560 -18.780 8.209) 20.803 28.961 ( -4.800 -13.154 -9.020) 16.656 29.537 ( 10.375 14.354 4.004) 18.158 29.764 ( 13.959 11.916 -13.883) 23.012 30.640 ( 4.980 -4.168 1.065) 6.581 30.845 ( 4.777 -4.616 -3.283) 7.410 32.948 ( 0.989 1.620 2.900) 3.466 32.980 ( -0.300 3.414 -0.213) 3.433 33.106 ( 0.081 4.652 6.446) 7.950 33.268 ( -2.180 0.213 -3.208) 3.885 33.382 ( -5.466 2.882 -6.901) 9.263 33.594 ( 10.270 -3.759 -4.887) 11.979 34.484 ( -5.608 -7.496 -0.899) 9.404 34.606 ( 3.681 -21.885 9.924) 24.310 42.412 ( -0.874 6.961 -0.446) 7.030 42.485 ( -1.186 12.279 -2.963) 12.687 43.294 ( -0.320 -3.290 0.832) 3.409 43.415 ( 2.925 -3.476 -1.181) 4.694 51.217 ( -4.304 41.342 -2.447) 41.638 51.354 ( -2.891 42.696 -5.899) 43.199 56.846 ( -44.951 -28.288 -24.377) 58.438 59.458 ( 59.081 -104.786 -2.229) 120.314 ======================= Grid point 89 (37/104) ======================= q-point: ( 0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 18.313 7.543 16.402) 25.716 1.750 ( 10.557 10.791 11.207) 18.801 1.958 ( 5.372 -7.043 -7.785) 11.792 2.192 ( -0.585 -0.707 9.863) 9.906 2.375 ( 0.977 2.076 -6.772) 7.150 2.578 ( 0.923 4.176 -16.185) 16.740 2.702 ( -10.030 1.927 -8.270) 13.142 2.780 ( -1.428 -3.348 -1.546) 3.954 3.018 ( -4.916 10.264 6.320) 13.018 3.151 ( -1.978 4.436 4.871) 6.879 3.232 ( -0.010 12.017 2.355) 12.245 3.284 ( 1.639 17.481 13.527) 22.164 3.524 ( -6.119 3.238 2.932) 7.518 3.675 ( -7.819 8.617 -3.277) 12.088 3.772 ( -8.885 4.304 -7.600) 12.459 3.968 ( -2.389 -0.660 -6.048) 6.536 4.102 ( -3.922 -2.887 -3.401) 5.940 4.213 ( -3.808 -5.415 0.340) 6.628 4.307 ( 1.781 0.755 -8.505) 8.723 4.572 ( -0.429 -1.800 5.155) 5.477 4.656 ( -0.697 8.826 2.851) 9.302 4.699 ( -2.862 2.506 4.009) 5.526 4.877 ( -0.135 10.412 -0.636) 10.433 5.065 ( -0.988 3.596 -5.178) 6.381 5.196 ( -1.182 -3.983 4.177) 5.892 5.280 ( 1.930 1.157 -2.947) 3.708 5.328 ( -0.618 -0.031 -4.264) 4.308 5.347 ( 2.611 3.332 -1.526) 4.499 5.487 ( -5.323 1.644 -0.183) 5.574 5.729 ( -8.177 -1.463 -0.839) 8.349 6.046 ( -11.709 -6.433 3.479) 13.805 6.278 ( -4.644 -10.754 -2.053) 11.892 6.300 ( -0.484 -4.686 -5.595) 7.314 6.525 ( -3.781 -4.110 5.430) 7.790 6.692 ( 3.365 -5.097 6.293) 8.769 6.785 ( -3.102 -2.333 -4.612) 6.028 6.933 ( -4.323 -2.416 3.358) 5.983 7.096 ( -2.374 -5.696 -0.306) 6.178 7.234 ( 0.234 -12.596 0.607) 12.613 7.297 ( 4.073 -6.828 -1.365) 8.067 7.383 ( 7.700 -4.411 -3.959) 9.717 7.503 ( 2.563 -4.855 0.329) 5.500 7.557 ( 2.987 1.728 2.024) 4.000 7.831 ( 5.602 -2.156 5.924) 8.434 8.182 ( 4.569 0.850 -4.194) 6.260 8.397 ( 12.462 4.669 3.859) 13.856 8.470 ( -3.496 18.786 -0.548) 19.116 9.039 ( -8.948 22.143 2.171) 23.981 11.508 ( -2.580 3.134 -0.481) 4.088 11.524 ( -0.324 0.691 0.703) 1.038 11.701 ( -4.026 1.025 -1.901) 4.568 11.740 ( -1.890 -0.168 0.895) 2.098 11.762 ( -2.504 1.707 -1.322) 3.307 11.897 ( 2.026 5.905 5.094) 8.058 13.926 ( 3.118 3.899 -1.592) 5.240 13.983 ( 0.980 3.422 0.317) 3.574 14.416 ( 4.691 0.147 4.248) 6.331 14.734 ( 2.623 -5.717 -4.502) 7.735 15.509 ( 2.422 -4.861 0.415) 5.447 15.705 ( -4.291 -7.406 0.151) 8.560 15.836 ( -3.225 -0.922 0.332) 3.371 15.970 ( 2.240 -2.291 -2.923) 4.337 16.122 ( 1.137 5.764 -0.825) 5.933 16.209 ( 0.179 6.234 -0.592) 6.265 16.724 ( -7.562 6.832 -5.256) 11.467 17.180 ( 2.506 6.480 2.555) 7.403 17.487 ( -0.290 -0.318 -0.089) 0.439 17.741 ( 2.409 2.487 -2.527) 4.287 25.267 ( -2.036 20.675 2.250) 20.897 25.315 ( -8.409 23.636 -4.237) 25.442 25.577 ( 0.078 5.331 -2.742) 5.995 25.713 ( -0.257 10.273 3.557) 10.874 26.387 ( 0.663 0.662 0.106) 0.943 26.445 ( 0.492 -1.526 -0.191) 1.614 28.753 ( -5.840 -18.967 -6.577) 20.907 28.877 ( -0.133 -16.808 6.281) 17.944 29.733 ( 5.948 12.168 -8.294) 15.882 29.986 ( 17.716 10.839 12.700) 24.345 30.738 ( 5.350 -4.033 -1.589) 6.886 30.942 ( 9.255 -4.807 -3.143) 10.892 32.954 ( -0.721 2.664 -1.349) 3.072 32.983 ( 0.080 3.116 0.508) 3.158 33.160 ( -5.368 4.108 -5.724) 8.858 33.164 ( -1.860 4.174 7.018) 8.374 33.256 ( 0.310 -0.115 -4.898) 4.909 33.702 ( 6.927 -2.786 -4.444) 8.689 34.344 ( -7.372 -7.737 -2.903) 11.075 34.705 ( 1.101 -14.597 4.166) 15.220 42.393 ( -0.788 7.004 -0.352) 7.057 42.467 ( 0.282 9.303 -0.363) 9.314 43.304 ( 0.122 -3.749 1.472) 4.030 43.455 ( 2.482 -3.906 -1.180) 4.776 51.113 ( -4.714 31.186 -4.638) 31.879 51.347 ( 2.053 41.578 4.149) 41.835 55.808 ( -32.090 -20.777 -34.847) 51.728 59.806 ( -0.868 -73.945 -12.304) 74.966 ======================= Grid point 90 (38/104) ======================= q-point: ( 0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( -1.433 5.694 11.615) 13.015 1.965 ( -4.855 -3.054 -17.280) 18.207 1.972 ( 6.034 4.289 1.277) 7.513 2.072 ( -0.436 -0.757 -4.916) 4.993 2.296 ( 1.693 2.223 -1.300) 3.082 2.440 ( 0.994 2.489 -0.344) 2.702 2.598 ( -3.045 1.516 3.615) 4.964 2.776 ( -1.621 0.176 0.395) 1.678 2.987 ( -5.083 4.249 4.032) 7.756 3.119 ( -12.580 9.947 1.851) 16.144 3.146 ( -3.173 12.480 2.876) 13.194 3.261 ( 1.741 10.308 1.542) 10.568 3.508 ( -7.147 -1.777 -4.207) 8.482 3.547 ( -6.443 -1.439 -4.526) 8.004 3.813 ( -1.483 7.407 0.135) 7.555 3.839 ( 7.081 16.615 10.858) 21.074 4.006 ( -2.397 9.323 -3.973) 10.414 4.149 ( -4.388 1.289 -5.134) 6.875 4.244 ( -1.005 -3.260 -0.658) 3.474 4.578 ( -6.905 -2.220 10.898) 13.091 4.653 ( 0.273 13.158 -1.253) 13.220 4.698 ( 1.367 3.082 -3.404) 4.791 4.861 ( 0.063 7.992 -1.119) 8.070 4.976 ( -3.644 -0.613 -2.723) 4.590 5.096 ( -7.754 1.400 -6.677) 10.328 5.274 ( 2.115 1.077 2.017) 3.115 5.347 ( -1.348 -0.700 3.227) 3.567 5.376 ( 0.211 3.358 -0.364) 3.384 5.429 ( -0.290 2.458 -2.221) 3.325 5.542 ( -7.690 1.129 -3.895) 8.694 5.833 ( -13.174 -3.510 2.692) 13.897 6.106 ( -6.991 -9.014 -7.153) 13.465 6.282 ( 1.117 -3.961 -2.178) 4.656 6.546 ( -0.818 -3.935 8.406) 9.317 6.725 ( 0.516 -4.014 -2.744) 4.890 6.798 ( 2.093 -3.174 3.617) 5.247 6.916 ( -0.400 -2.920 2.238) 3.701 7.054 ( -1.489 -6.142 -0.955) 6.391 7.230 ( 0.647 -16.135 -1.853) 16.253 7.348 ( 2.344 -3.522 -0.644) 4.280 7.485 ( 4.321 -0.440 -4.834) 6.498 7.565 ( 6.611 -5.132 -0.272) 8.373 7.653 ( 5.702 1.364 1.437) 6.037 7.940 ( -0.400 -0.268 6.732) 6.749 8.308 ( 10.935 -4.174 -2.269) 11.922 8.464 ( 2.186 11.583 -0.278) 11.791 8.650 ( 11.510 3.744 1.503) 12.197 8.897 ( -6.392 16.110 0.514) 17.340 11.447 ( -2.993 4.302 -1.030) 5.341 11.546 ( 0.531 -0.622 0.937) 1.243 11.605 ( -3.358 2.694 -0.975) 4.414 11.701 ( -3.125 -0.439 0.535) 3.201 11.727 ( -1.525 0.046 0.211) 1.541 11.955 ( 0.319 4.675 2.723) 5.419 14.001 ( 5.771 2.894 -1.325) 6.591 14.050 ( 5.761 1.275 0.251) 5.906 14.466 ( -1.820 -12.564 2.233) 12.890 14.720 ( -1.658 -13.746 -0.975) 13.880 15.505 ( -2.960 -8.315 -1.587) 8.968 15.601 ( -6.904 -11.885 2.000) 13.889 15.897 ( 5.105 8.995 6.549) 12.242 15.996 ( 3.577 0.686 -3.873) 5.316 16.120 ( -0.428 5.466 -0.429) 5.500 16.190 ( -1.190 6.606 -0.898) 6.772 16.563 ( -5.149 9.301 -3.796) 11.288 17.202 ( 0.265 8.692 -2.109) 8.948 17.512 ( 0.883 0.092 3.445) 3.558 17.757 ( 1.668 1.269 -1.953) 2.865 25.197 ( -2.919 15.347 -1.133) 15.663 25.251 ( -1.592 19.812 1.342) 19.921 25.545 ( -1.162 3.501 -1.530) 3.994 25.709 ( -2.405 7.296 1.709) 7.870 26.417 ( 1.971 -0.279 0.280) 2.010 26.453 ( 0.778 -0.156 -0.424) 0.900 28.595 ( -4.805 -24.230 -4.497) 25.108 28.906 ( -2.322 -15.352 4.291) 16.109 29.727 ( 2.094 15.478 -5.386) 16.521 30.398 ( 7.677 4.854 14.287) 16.930 30.809 ( 3.747 -4.221 -0.338) 5.654 31.153 ( 13.980 -5.732 2.715) 15.351 32.891 ( -3.280 2.054 -4.399) 5.860 32.984 ( 0.007 3.119 -0.009) 3.119 33.040 ( -2.064 5.826 -1.395) 6.336 33.184 ( -2.797 4.056 5.070) 7.069 33.278 ( 5.868 -0.989 -3.316) 6.812 33.779 ( 5.379 -2.313 -3.489) 6.816 34.176 ( -7.269 -7.073 -3.374) 10.689 34.739 ( 0.500 -11.344 0.126) 11.356 42.378 ( -0.534 6.878 -0.058) 6.899 42.474 ( 0.539 7.827 -0.108) 7.846 43.320 ( -0.324 -4.229 2.210) 4.783 43.483 ( 1.749 -4.224 -1.120) 4.707 50.996 ( -3.257 27.951 -3.427) 28.348 51.426 ( 1.376 37.423 3.854) 37.647 55.194 ( -8.125 -17.953 -16.061) 25.422 59.490 ( -14.205 -56.469 -17.369) 60.764 ======================= Grid point 91 (39/104) ======================= q-point: ( 0.40 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -5.268 1.045 -16.032) 16.908 1.805 ( 1.754 14.281 7.237) 16.106 2.055 ( -5.951 2.063 9.617) 11.496 2.134 ( -6.481 2.370 10.147) 12.271 2.321 ( 4.979 0.497 -4.556) 6.768 2.502 ( 1.706 1.224 -0.761) 2.233 2.529 ( -0.730 -0.950 2.292) 2.586 2.789 ( -4.737 3.183 2.214) 6.122 2.889 ( -3.398 6.445 1.820) 7.510 2.981 ( -3.813 1.554 5.496) 6.867 3.158 ( 0.116 3.331 -2.761) 4.328 3.307 ( -0.914 6.232 -4.492) 7.736 3.350 ( -0.706 3.523 2.506) 4.381 3.450 ( -2.038 -4.588 0.291) 5.028 3.689 ( -3.925 10.582 -5.710) 12.648 3.846 ( -5.509 15.574 -9.496) 19.055 4.062 ( -3.289 18.042 -1.123) 18.374 4.083 ( 4.552 8.872 1.689) 10.113 4.238 ( -0.943 -3.774 1.738) 4.261 4.535 ( -7.015 -1.844 7.873) 10.705 4.608 ( -0.696 9.935 -8.700) 13.224 4.683 ( 1.231 11.027 2.112) 11.295 4.892 ( -1.072 3.784 5.335) 6.629 4.951 ( 1.516 0.110 1.387) 2.058 4.969 ( 2.264 0.685 -3.179) 3.962 5.249 ( -10.126 0.643 4.153) 10.964 5.301 ( -0.755 -0.995 -5.371) 5.515 5.368 ( -0.798 1.050 -8.166) 8.272 5.381 ( 0.553 2.360 1.334) 2.767 5.453 ( -1.383 6.170 0.644) 6.356 5.671 ( -5.760 -1.774 1.210) 6.147 5.947 ( -3.655 -6.139 -4.138) 8.256 6.288 ( 1.504 -2.901 -2.363) 4.032 6.602 ( -1.757 -1.669 5.793) 6.280 6.720 ( 1.126 -8.010 -1.500) 8.226 6.842 ( 0.016 -2.724 2.854) 3.945 6.958 ( 2.436 -4.080 2.043) 5.172 7.018 ( -1.744 -6.871 -0.694) 7.122 7.232 ( 2.318 -13.460 -3.849) 14.191 7.370 ( 0.609 -4.608 -0.949) 4.744 7.505 ( 2.295 0.127 -1.327) 2.654 7.679 ( 5.536 -2.016 -1.219) 6.017 7.779 ( 6.573 -2.212 0.163) 6.937 7.945 ( -5.000 -0.332 5.535) 7.466 8.470 ( 4.318 0.781 1.029) 4.507 8.535 ( 7.651 3.525 -0.880) 8.470 8.753 ( -0.885 6.028 -0.896) 6.158 8.900 ( 5.477 6.839 0.118) 8.763 11.385 ( -2.658 5.844 0.185) 6.423 11.544 ( -0.141 0.968 0.223) 1.003 11.584 ( 0.027 0.993 0.238) 1.021 11.646 ( -3.353 -0.418 0.598) 3.431 11.692 ( -2.086 1.468 -0.114) 2.553 11.962 ( -0.241 2.150 -1.148) 2.449 14.096 ( 4.968 4.357 -0.371) 6.618 14.172 ( 6.415 -0.137 -0.042) 6.416 14.425 ( -4.100 -19.606 2.182) 20.149 14.664 ( -2.652 -20.834 -1.491) 21.055 15.420 ( -3.427 -11.058 -1.090) 11.628 15.509 ( -4.423 -12.588 0.773) 13.365 15.994 ( 0.362 10.871 -0.629) 10.895 16.034 ( 1.815 6.190 -1.623) 6.652 16.129 ( 1.535 2.840 2.569) 4.126 16.167 ( -0.700 5.750 0.844) 5.853 16.487 ( -1.148 11.671 1.326) 11.802 17.172 ( 0.214 9.561 -4.956) 10.771 17.562 ( 0.098 0.183 4.683) 4.688 17.771 ( 1.379 0.609 -1.218) 1.938 25.161 ( -0.815 11.894 -0.023) 11.922 25.233 ( -1.010 18.976 0.126) 19.004 25.520 ( -0.623 2.885 0.101) 2.953 25.674 ( -2.034 4.679 0.188) 5.105 26.446 ( 1.113 -0.310 -0.315) 1.198 26.471 ( 1.176 0.028 -0.128) 1.184 28.511 ( -1.597 -26.884 -0.455) 26.935 28.877 ( -3.008 -16.595 0.540) 16.874 29.736 ( 2.105 16.744 -0.395) 16.880 30.491 ( -2.397 5.314 -0.641) 5.865 30.882 ( 2.739 -4.486 3.657) 6.403 31.415 ( 6.518 -7.931 7.024) 12.439 32.814 ( -0.916 2.471 -1.541) 3.053 32.987 ( 0.216 3.303 -0.022) 3.310 33.019 ( -0.388 5.570 -0.081) 5.584 33.154 ( -3.571 4.297 1.398) 5.760 33.400 ( 7.304 -2.407 1.525) 7.840 33.834 ( 3.743 -2.260 -2.843) 5.215 34.041 ( -4.227 -5.965 -1.250) 7.417 34.724 ( -0.207 -10.266 -4.196) 11.092 42.373 ( -0.160 6.609 0.452) 6.627 42.479 ( 0.279 7.240 -0.584) 7.269 43.330 ( -0.846 -4.413 2.485) 5.135 43.498 ( 1.086 -4.420 -1.221) 4.712 50.947 ( -0.250 25.510 0.236) 25.512 51.447 ( -0.866 34.778 -0.523) 34.793 55.169 ( 3.815 -20.004 14.001) 24.713 59.072 ( -8.674 -48.802 -24.601) 55.336 ======================= Grid point 92 (40/104) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 11.223 0.374 0.662) 11.248 1.841 ( -7.361 18.913 1.709) 20.367 2.009 ( -0.463 6.486 8.446) 10.659 2.222 ( -0.816 -2.846 21.165) 21.371 2.359 ( 2.959 4.841 0.810) 5.731 2.528 ( 3.892 -1.963 3.681) 5.706 2.565 ( -1.959 -4.618 -6.202) 7.977 2.674 ( -5.481 -0.484 0.133) 5.504 2.874 ( -0.340 6.377 1.970) 6.683 2.991 ( -1.245 0.368 5.702) 5.848 3.120 ( 1.570 4.530 -5.623) 7.389 3.241 ( -1.008 1.283 -5.052) 5.309 3.386 ( 2.682 -0.136 -0.544) 2.740 3.469 ( -1.269 12.524 0.840) 12.616 3.606 ( 4.481 6.366 -2.281) 8.113 3.795 ( 6.271 15.987 -6.168) 18.247 3.880 ( -9.842 25.330 -9.726) 28.863 4.068 ( -0.643 5.743 -6.900) 9.000 4.248 ( -1.062 -3.112 3.632) 4.900 4.485 ( -4.318 -3.369 5.563) 7.807 4.577 ( 2.905 3.584 -3.177) 5.602 4.756 ( 2.029 5.510 5.806) 8.258 4.924 ( -2.179 3.510 -3.570) 5.460 4.960 ( 0.639 11.077 6.035) 12.631 5.049 ( 2.774 3.078 -0.402) 4.163 5.139 ( -2.571 -0.332 1.454) 2.972 5.242 ( 4.560 -0.623 -7.554) 8.846 5.300 ( 0.748 -0.573 -4.000) 4.109 5.420 ( 0.464 2.715 3.020) 4.087 5.436 ( -1.043 3.416 -0.044) 3.572 5.618 ( -1.104 1.183 -0.050) 1.619 5.906 ( 2.089 -5.017 -2.218) 5.870 6.290 ( 0.964 -2.295 -2.024) 3.208 6.565 ( -2.943 -1.654 -2.665) 4.301 6.745 ( -0.580 -6.820 5.116) 8.546 6.868 ( 0.226 -3.957 2.311) 4.588 6.964 ( -2.920 -4.580 -1.234) 5.570 7.033 ( 2.392 -7.265 3.278) 8.322 7.241 ( 2.598 -10.680 -4.280) 11.795 7.351 ( -0.730 -4.911 -2.513) 5.565 7.543 ( 1.140 -0.569 1.425) 1.912 7.738 ( 2.568 -1.065 -2.601) 3.807 7.861 ( -7.475 -1.254 3.276) 8.257 7.878 ( 2.405 -4.002 1.698) 4.968 8.499 ( -1.167 4.995 1.730) 5.413 8.672 ( 5.118 4.237 -1.853) 6.898 8.714 ( -2.391 1.222 2.429) 3.620 8.937 ( -1.594 4.383 -2.404) 5.247 11.382 ( 1.418 5.875 2.514) 6.546 11.554 ( 0.259 0.724 0.341) 0.841 11.571 ( -1.372 0.976 -1.166) 2.048 11.607 ( -0.057 0.453 -0.249) 0.520 11.670 ( -0.206 2.715 0.947) 2.883 11.925 ( -1.184 1.044 -4.044) 4.341 14.154 ( 0.505 6.632 0.708) 6.688 14.245 ( 0.792 6.774 -1.420) 6.966 14.383 ( -1.794 -29.373 3.376) 29.621 14.622 ( 0.570 -24.453 -2.346) 24.572 15.395 ( 1.331 -11.553 0.484) 11.639 15.455 ( -1.305 -13.006 -0.825) 13.098 15.948 ( -3.239 11.599 -2.295) 12.259 16.026 ( 1.351 5.056 -3.833) 6.487 16.158 ( -0.534 3.489 1.995) 4.054 16.190 ( 0.662 4.864 1.902) 5.264 16.548 ( 2.489 12.304 7.453) 14.599 17.124 ( 0.473 10.211 -7.005) 12.391 17.595 ( -1.278 0.007 4.876) 5.041 17.784 ( 1.049 0.568 -0.751) 1.410 25.159 ( 0.275 11.624 0.512) 11.639 25.217 ( -0.468 17.695 -0.776) 17.718 25.531 ( 0.956 2.643 1.657) 3.263 25.644 ( -0.749 3.900 -0.933) 4.079 26.458 ( 0.290 -0.243 -0.092) 0.389 26.477 ( -0.234 -0.086 -0.531) 0.587 28.532 ( 2.453 -26.837 3.235) 27.142 28.814 ( -2.418 -19.108 -3.060) 19.502 29.804 ( 3.335 16.234 4.589) 17.197 30.357 ( -5.992 8.404 -9.584) 14.084 30.979 ( 1.577 -4.810 8.646) 10.019 31.475 ( -3.871 -8.303 1.582) 9.297 32.842 ( 3.318 2.696 2.690) 5.051 32.990 ( 0.122 3.463 0.060) 3.466 33.015 ( 0.084 5.278 -0.190) 5.282 33.084 ( -3.268 4.218 -2.498) 5.892 33.512 ( 0.356 -2.769 4.914) 5.652 33.864 ( 2.062 -2.530 -2.135) 3.900 34.035 ( 3.023 -5.797 3.309) 7.327 34.651 ( -1.230 -10.369 -9.130) 13.870 42.380 ( 0.145 6.354 1.000) 6.434 42.473 ( -0.058 7.243 -1.146) 7.333 43.336 ( -0.999 -4.369 2.588) 5.176 43.502 ( 0.591 -4.496 -1.337) 4.727 50.990 ( 2.465 24.781 4.299) 25.272 51.390 ( -2.434 33.709 -4.866) 34.145 55.508 ( 6.622 -23.012 36.616) 43.751 58.755 ( 3.932 -46.694 -35.252) 58.639 ======================= Grid point 93 (41/104) ======================= q-point: (-0.40 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( -8.890 4.810 2.437) 10.398 1.858 ( 10.037 -2.890 6.111) 12.101 1.993 ( -10.090 12.281 -5.646) 16.868 2.311 ( -5.252 2.593 -6.580) 8.809 2.399 ( 3.056 1.308 3.645) 4.933 2.527 ( 3.897 2.044 10.989) 11.837 2.643 ( 0.909 -4.716 4.103) 6.317 2.709 ( 9.447 -2.430 8.356) 12.844 2.985 ( -0.654 3.922 -0.083) 3.977 3.004 ( 6.664 5.469 5.644) 10.303 3.117 ( 4.613 6.587 -2.923) 8.556 3.205 ( -0.190 16.616 1.901) 16.726 3.438 ( -11.190 31.446 -12.656) 35.697 3.475 ( 1.465 0.875 -0.703) 1.845 3.524 ( 6.235 4.134 -1.689) 7.670 3.788 ( 9.456 4.140 2.932) 10.731 3.949 ( 10.080 7.759 -5.968) 14.051 4.016 ( 4.279 4.267 -5.600) 8.239 4.254 ( -1.978 -1.791 3.287) 4.234 4.493 ( -0.025 -4.711 5.839) 7.503 4.593 ( 1.182 0.197 -7.095) 7.196 4.790 ( -2.634 3.902 -3.957) 6.150 4.886 ( 6.521 4.003 4.366) 8.810 4.975 ( -4.198 5.131 1.224) 6.742 5.119 ( 6.182 10.192 -0.911) 11.955 5.176 ( 2.656 -1.293 1.061) 3.139 5.259 ( -1.185 1.125 -1.704) 2.361 5.333 ( 8.456 -2.645 -5.977) 10.688 5.411 ( -0.911 -2.545 -0.949) 2.865 5.462 ( 1.277 4.027 3.482) 5.475 5.634 ( 2.016 5.471 0.828) 5.889 5.987 ( 8.953 -6.911 -1.904) 11.469 6.292 ( 0.733 -2.854 -0.705) 3.030 6.479 ( -2.187 -0.792 -4.620) 5.172 6.784 ( -1.279 -6.202 7.041) 9.470 6.878 ( -4.059 -5.363 -2.113) 7.051 6.884 ( -1.400 -3.650 2.126) 4.451 7.101 ( 1.240 -6.607 3.714) 7.680 7.233 ( -0.229 -10.924 -3.690) 11.533 7.308 ( -0.071 -3.671 -4.523) 5.825 7.554 ( -1.380 -1.435 1.068) 2.259 7.677 ( -6.751 -0.655 -1.937) 7.054 7.784 ( -1.683 -0.496 0.168) 1.763 7.915 ( -2.060 -4.957 5.212) 7.482 8.469 ( -3.534 5.495 0.867) 6.591 8.604 ( -7.032 6.336 0.454) 9.476 8.765 ( -0.955 2.821 0.713) 3.063 8.807 ( -5.869 5.768 -2.986) 8.754 11.469 ( 3.562 2.812 3.815) 5.929 11.523 ( -1.112 1.013 -1.871) 2.401 11.574 ( 1.687 1.242 0.252) 2.111 11.625 ( 2.303 1.781 -1.472) 3.263 11.704 ( 1.979 2.847 2.695) 4.391 11.856 ( -1.605 1.384 -4.618) 5.081 14.117 ( -4.781 4.694 0.229) 6.704 14.176 ( -5.525 4.924 -0.361) 7.409 14.424 ( 1.414 -23.311 2.496) 23.487 14.650 ( 4.635 -22.202 -1.908) 22.761 15.443 ( 2.129 -13.658 -1.855) 13.947 15.475 ( 5.127 -10.558 1.307) 11.810 15.860 ( -3.993 8.762 -1.177) 9.701 16.022 ( 1.325 5.869 -2.270) 6.431 16.167 ( -0.168 4.171 1.685) 4.501 16.217 ( 0.867 4.228 1.120) 4.458 16.680 ( 3.318 10.689 8.649) 14.145 17.057 ( 0.215 10.536 -9.188) 13.982 17.604 ( -2.249 -0.234 4.477) 5.016 17.795 ( 0.762 1.728 -0.547) 1.966 25.183 ( 1.758 14.084 0.892) 14.222 25.205 ( 0.241 16.427 -0.915) 16.454 25.578 ( 1.842 2.580 2.046) 3.773 25.632 ( 0.805 4.836 -1.431) 5.107 26.440 ( -1.827 0.281 -0.440) 1.901 26.468 ( -0.341 -0.439 -0.184) 0.586 28.649 ( 5.207 -23.688 4.785) 24.721 28.743 ( -0.473 -21.881 -4.660) 22.377 29.938 ( 3.779 13.186 8.389) 16.079 30.128 ( -7.281 12.474 -10.971) 18.138 31.090 ( -0.619 -5.254 13.204) 14.224 31.336 ( -9.369 -7.156 -2.860) 12.132 32.952 ( 3.036 2.630 3.133) 5.094 32.983 ( -2.403 3.797 -2.348) 5.069 33.003 ( 0.486 3.412 -2.471) 4.240 33.041 ( 3.646 5.278 1.485) 6.584 33.511 ( -4.726 -1.859 5.717) 7.647 33.874 ( 0.690 -2.929 -1.113) 3.208 34.182 ( 6.618 -6.476 6.574) 11.356 34.508 ( -2.453 -11.509 -14.976) 19.046 42.395 ( 0.276 6.200 1.331) 6.347 42.459 ( -0.105 7.866 -1.417) 7.993 43.341 ( -1.142 -4.211 2.635) 5.097 43.498 ( 0.312 -4.508 -1.219) 4.680 51.100 ( 3.270 26.098 6.204) 27.024 51.287 ( -2.020 34.505 -6.582) 35.185 56.058 ( 10.256 -25.610 49.216) 56.420 58.544 ( 15.004 -48.682 -52.384) 73.069 ======================= Grid point 94 (42/104) ======================= q-point: (-0.30 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( -15.119 -3.652 -5.880) 16.628 1.581 ( -19.088 14.804 -9.821) 26.076 2.020 ( 2.440 -2.745 2.145) 4.253 2.211 ( -6.073 8.632 5.102) 11.723 2.471 ( 1.572 9.961 -1.065) 10.140 2.567 ( 0.845 -2.194 -4.023) 4.659 2.837 ( -1.151 9.207 3.459) 9.902 2.846 ( -5.327 11.336 -1.362) 12.599 2.998 ( 9.639 0.078 6.320) 11.526 3.071 ( -4.428 5.748 -2.349) 7.627 3.149 ( 4.662 11.994 -2.556) 13.120 3.189 ( 1.129 12.612 6.878) 14.410 3.387 ( 10.752 12.512 6.437) 17.709 3.572 ( 9.522 3.600 0.449) 10.190 3.710 ( 12.062 3.045 -0.538) 12.452 3.993 ( 6.843 1.434 -4.984) 8.586 4.048 ( 10.608 -0.746 4.409) 11.512 4.182 ( 11.897 5.522 0.865) 13.144 4.210 ( -3.560 -0.728 -2.891) 4.643 4.485 ( 0.015 -0.903 -12.919) 12.950 4.600 ( 4.646 -4.338 7.092) 9.524 4.746 ( -2.388 6.246 0.387) 6.698 4.918 ( -1.913 6.422 0.331) 6.709 5.062 ( 6.375 -1.391 1.989) 6.821 5.148 ( -2.987 -1.049 -1.440) 3.478 5.153 ( -1.994 -0.906 -3.692) 4.293 5.287 ( 7.103 2.646 -2.301) 7.922 5.362 ( 1.061 -4.843 -4.099) 6.433 5.448 ( 2.576 2.322 1.035) 3.619 5.585 ( 9.029 -1.400 1.064) 9.199 5.679 ( 3.311 5.696 -0.804) 6.637 6.161 ( 8.842 -10.595 -0.760) 13.821 6.315 ( 2.923 -3.465 -0.444) 4.555 6.421 ( 0.349 1.646 -3.374) 3.770 6.758 ( -6.384 -4.216 -0.773) 7.690 6.829 ( -0.397 -7.071 5.696) 9.088 6.891 ( 0.035 -2.291 2.666) 3.515 7.124 ( -2.035 -6.532 0.131) 6.843 7.184 ( -0.198 -11.915 -1.764) 12.046 7.262 ( -1.155 -3.274 -4.310) 5.534 7.508 ( -4.503 -2.762 -0.262) 5.289 7.558 ( -2.717 2.922 -1.639) 4.314 7.742 ( -3.197 -2.729 -0.028) 4.203 7.902 ( -5.842 -3.016 7.846) 10.236 8.345 ( -10.131 6.162 -2.191) 12.058 8.481 ( -6.292 9.385 0.115) 11.300 8.587 ( -8.687 6.427 0.705) 10.829 8.841 ( 4.708 11.506 -0.665) 12.450 11.495 ( -0.046 1.828 -1.548) 2.396 11.528 ( 0.199 -1.051 2.394) 2.622 11.641 ( 3.360 1.242 -1.120) 3.753 11.662 ( 3.579 2.168 -0.222) 4.190 11.786 ( 1.690 2.154 1.213) 2.994 11.801 ( 1.413 3.373 0.207) 3.663 14.013 ( -5.158 0.430 -1.096) 5.291 14.067 ( -6.179 6.741 0.565) 9.162 14.438 ( -2.092 -14.695 1.410) 14.910 14.753 ( 7.155 -16.561 -0.004) 18.041 15.472 ( 2.424 -11.205 -1.776) 11.601 15.599 ( 6.148 -9.423 1.544) 11.356 15.808 ( -0.523 3.568 0.599) 3.656 16.033 ( 1.040 5.838 -0.107) 5.931 16.183 ( 0.399 4.557 0.945) 4.671 16.243 ( 0.748 3.618 1.413) 3.955 16.818 ( 3.629 8.516 6.981) 11.595 16.960 ( -0.572 10.065 -11.207) 15.074 17.599 ( -2.088 -0.587 3.425) 4.054 17.801 ( 0.500 4.265 -0.791) 4.366 25.200 ( 0.784 15.728 -0.971) 15.778 25.263 ( 5.682 19.793 1.515) 20.649 25.597 ( 0.246 3.893 -1.802) 4.297 25.674 ( 3.203 7.044 2.356) 8.089 26.405 ( -1.361 1.560 -0.027) 2.071 26.454 ( -0.912 -1.171 -0.349) 1.524 28.651 ( -0.969 -23.183 -5.455) 23.835 28.857 ( 8.171 -18.324 5.428) 20.784 29.830 ( -10.155 15.039 -7.882) 19.784 30.172 ( 6.445 8.816 11.760) 16.048 31.110 ( -9.725 -6.571 -2.260) 11.952 31.203 ( -3.516 -5.503 15.617) 16.928 32.894 ( -1.944 2.801 -5.502) 6.473 32.977 ( -0.058 3.533 0.341) 3.549 33.012 ( 0.772 3.602 -0.222) 3.691 33.206 ( 8.590 3.850 4.535) 10.448 33.471 ( -5.001 -0.891 5.764) 7.683 33.873 ( 0.099 -3.334 -0.809) 3.432 34.275 ( -5.023 -14.293 -22.260) 26.926 34.359 ( 5.474 -6.652 6.647) 10.881 42.411 ( 0.190 6.308 1.109) 6.408 42.451 ( 0.702 9.272 -1.038) 9.356 43.341 ( -1.470 -3.950 2.530) 4.915 43.493 ( 0.235 -4.638 -0.670) 4.692 51.127 ( -0.869 35.607 -3.674) 35.807 51.301 ( 4.676 31.659 4.236) 32.281 56.760 ( 14.512 -28.580 52.124) 61.191 58.243 ( 14.709 -54.409 -81.919) 99.435 ======================= Grid point 95 (43/104) ======================= q-point: (-0.20 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -14.731 20.039 -8.003) 26.127 1.194 ( -21.781 10.042 3.753) 24.276 1.988 ( -12.498 6.732 2.511) 14.416 2.094 ( -11.376 17.330 4.999) 21.325 2.274 ( -17.530 9.836 -3.452) 20.395 2.562 ( 5.791 7.605 -10.844) 14.455 2.649 ( 1.422 6.618 0.181) 6.771 2.951 ( -0.501 8.492 3.405) 9.163 3.029 ( 0.435 -3.827 -4.128) 5.646 3.110 ( -0.346 3.591 1.180) 3.795 3.300 ( 9.365 7.954 3.847) 12.875 3.314 ( 6.577 8.573 2.173) 11.022 3.647 ( 12.926 3.983 4.729) 14.329 3.810 ( 12.296 2.158 1.265) 12.548 3.917 ( 4.860 0.233 -0.407) 4.882 4.025 ( 0.575 4.263 -1.466) 4.544 4.111 ( 1.399 -1.894 -7.791) 8.139 4.233 ( 7.555 -1.322 -0.419) 7.681 4.426 ( 8.840 4.611 2.729) 10.337 4.446 ( 7.213 0.153 -5.520) 9.084 4.682 ( -1.797 2.787 0.658) 3.381 4.764 ( 1.858 0.960 7.252) 7.548 4.877 ( -3.640 9.229 0.220) 9.923 5.060 ( -3.086 -4.441 -1.847) 5.714 5.078 ( -2.495 -5.108 -0.924) 5.759 5.125 ( 1.200 -4.836 -2.692) 5.663 5.352 ( 2.436 -7.692 -4.355) 9.169 5.422 ( 6.881 3.565 -0.333) 7.757 5.485 ( 0.400 3.580 1.586) 3.936 5.701 ( 3.315 -2.234 0.602) 4.043 5.765 ( 8.919 -2.868 -9.269) 13.179 6.247 ( 0.075 -9.663 4.212) 10.541 6.373 ( 4.850 -2.788 -5.002) 7.504 6.448 ( 3.798 1.470 0.060) 4.074 6.660 ( -3.844 0.559 1.927) 4.336 6.884 ( 0.849 -8.989 5.777) 10.719 6.942 ( 2.341 -4.013 1.522) 4.889 7.069 ( -0.301 -7.800 -4.047) 8.793 7.169 ( -1.689 -5.270 -2.672) 6.145 7.193 ( -2.820 -9.935 0.852) 10.362 7.417 ( -4.945 -1.851 0.632) 5.318 7.515 ( -1.606 1.245 -1.664) 2.627 7.681 ( -2.714 -2.364 -0.291) 3.611 7.826 ( -11.350 -4.515 8.460) 14.859 8.107 ( -10.591 9.766 -5.367) 15.374 8.379 ( -3.624 7.431 2.394) 8.607 8.518 ( -1.948 12.936 0.781) 13.105 9.007 ( 15.341 22.184 2.018) 27.047 11.500 ( 1.606 3.094 -0.488) 3.520 11.548 ( 0.375 -1.668 1.091) 2.028 11.664 ( 1.824 2.573 -1.916) 3.690 11.728 ( 2.512 -0.496 0.535) 2.616 11.765 ( -0.168 0.955 -0.847) 1.288 11.923 ( 4.901 6.708 4.717) 9.554 13.932 ( -1.801 -1.561 -1.722) 2.941 13.976 ( -3.539 10.411 0.366) 11.002 14.376 ( -6.254 -9.105 2.121) 11.248 14.907 ( 9.538 -6.491 0.988) 11.579 15.486 ( 0.064 -7.081 -0.262) 7.086 15.719 ( 5.869 -8.162 0.590) 10.071 15.862 ( 5.074 -0.359 0.969) 5.179 16.056 ( 0.446 5.222 1.838) 5.554 16.187 ( -0.652 3.506 -0.162) 3.569 16.265 ( -0.109 3.266 0.576) 3.318 16.797 ( -2.497 9.326 -14.186) 17.159 16.966 ( 4.155 5.894 5.398) 9.008 17.594 ( -1.203 -0.498 2.317) 2.658 17.802 ( 1.529 7.471 -2.450) 8.010 25.213 ( 1.422 16.585 -0.461) 16.652 25.424 ( 9.757 20.493 -0.500) 22.702 25.573 ( -0.769 5.041 -2.047) 5.494 25.824 ( 13.585 23.515 5.230) 27.656 26.398 ( 0.334 1.859 0.159) 1.895 26.438 ( 0.234 0.728 -0.317) 0.828 28.588 ( -0.978 -23.365 -3.759) 23.686 29.046 ( 7.144 -10.889 3.388) 13.457 29.595 ( -9.095 17.676 -3.369) 20.162 30.403 ( 5.958 0.912 10.958) 12.506 30.918 ( -7.689 -6.582 -3.144) 10.599 31.297 ( -4.996 -9.871 20.745) 23.511 32.828 ( -0.523 1.443 -3.223) 3.569 32.977 ( -0.127 3.291 -0.110) 3.295 33.025 ( 0.674 3.777 0.085) 3.838 33.380 ( 4.200 0.894 3.103) 5.298 33.445 ( -1.100 1.937 3.718) 4.334 33.752 ( -7.887 -9.012 -36.297) 38.222 33.976 ( -6.190 -12.739 1.371) 14.229 34.493 ( 3.031 -6.470 5.214) 8.845 42.425 ( 0.417 6.720 0.867) 6.789 42.475 ( 3.354 11.952 -0.848) 12.443 43.332 ( -1.772 -3.614 2.185) 4.579 43.494 ( 0.044 -5.479 -0.027) 5.480 51.167 ( 11.156 48.208 0.320) 49.483 51.426 ( 3.972 33.700 3.538) 34.118 57.353 ( -12.820 -56.400 -112.386) 126.396 57.475 ( 9.340 -33.340 31.533) 46.830 ======================= Grid point 96 (44/104) ======================= q-point: (-0.10 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( -12.987 22.960 8.044) 27.577 0.978 ( -8.450 25.323 20.587) 33.712 1.649 ( -26.171 35.578 20.319) 48.617 1.838 ( -11.610 5.510 -6.949) 14.610 2.100 ( -2.932 3.538 0.903) 4.683 2.575 ( 6.616 11.151 -11.216) 17.144 2.726 ( 4.188 0.213 -1.570) 4.477 2.949 ( -0.980 11.895 0.983) 11.976 2.987 ( 1.250 -4.579 -6.608) 8.136 3.061 ( -4.114 3.593 0.708) 5.508 3.421 ( 3.600 5.261 0.148) 6.377 3.551 ( 12.012 4.502 2.794) 13.128 3.740 ( -6.206 0.497 -9.438) 11.306 3.871 ( 4.108 -8.957 2.501) 10.166 4.014 ( 5.578 -2.076 -0.809) 6.006 4.089 ( 4.002 14.132 -1.665) 14.782 4.124 ( 2.106 2.767 2.761) 4.440 4.348 ( 5.139 -0.309 -0.648) 5.189 4.493 ( 2.025 -2.767 -2.138) 4.040 4.540 ( 0.495 1.500 -0.846) 1.792 4.641 ( -3.812 1.411 -3.035) 5.073 4.790 ( -3.319 10.403 3.024) 11.331 4.856 ( 1.640 3.922 2.157) 4.767 5.011 ( 1.431 -1.888 -4.766) 5.322 5.048 ( -2.106 -6.182 5.032) 8.244 5.174 ( 6.130 -2.939 -1.498) 6.961 5.357 ( 0.935 -8.289 3.049) 8.881 5.495 ( 1.674 2.887 -1.440) 3.635 5.524 ( 2.983 2.573 0.474) 3.968 5.764 ( 3.480 -4.158 0.560) 5.451 5.806 ( 6.172 -3.439 -9.116) 11.534 6.282 ( -1.505 -4.479 6.766) 8.252 6.419 ( 4.296 -2.618 -2.725) 5.721 6.506 ( 1.794 1.754 -0.763) 2.622 6.640 ( -2.583 1.574 4.291) 5.250 6.936 ( -0.694 -6.230 -0.546) 6.292 6.981 ( 0.933 -14.981 3.865) 15.500 7.044 ( 1.306 -3.467 -0.470) 3.735 7.149 ( -2.016 -8.577 0.802) 8.847 7.163 ( 1.401 -10.644 2.555) 11.036 7.336 ( -5.411 -0.905 2.436) 6.003 7.453 ( -4.950 -2.076 1.488) 5.570 7.638 ( -5.191 -1.979 -1.138) 5.671 7.656 ( -7.629 -6.878 2.884) 10.669 7.913 ( -4.936 9.516 -1.901) 10.888 8.396 ( 0.743 7.687 1.164) 7.810 8.491 ( 0.468 18.966 0.001) 18.972 9.457 ( 26.733 14.239 0.245) 30.289 11.536 ( 1.927 3.538 0.180) 4.033 11.566 ( 1.259 -0.260 -0.126) 1.291 11.692 ( 2.592 2.708 -0.295) 3.760 11.752 ( -0.235 -0.585 0.676) 0.925 11.776 ( 1.347 0.306 0.001) 1.381 12.048 ( 4.744 12.213 1.496) 13.187 13.931 ( 3.177 -0.913 -1.100) 3.484 13.969 ( 2.846 11.029 0.908) 11.426 14.257 ( -8.717 -5.976 2.751) 10.921 15.158 ( 20.435 8.311 -5.662) 22.775 15.466 ( -2.033 -5.994 -1.319) 6.465 15.806 ( 2.509 -3.928 -4.748) 6.654 15.976 ( 5.005 3.445 0.369) 6.087 16.058 ( -4.716 2.105 -3.033) 5.989 16.117 ( -4.953 3.535 -9.203) 11.033 16.173 ( -4.699 4.570 -3.147) 7.271 16.669 ( 2.000 7.776 -1.231) 8.123 17.080 ( 2.987 3.993 3.389) 6.030 17.597 ( -0.802 -0.308 1.448) 1.683 17.813 ( 4.803 8.611 -9.681) 13.819 25.245 ( 1.754 19.440 0.783) 19.535 25.521 ( 1.794 5.473 -1.509) 5.954 25.549 ( 0.968 7.608 -1.818) 7.882 26.316 ( 15.039 7.273 -0.858) 16.727 26.403 ( 0.653 -1.555 -0.815) 1.874 26.650 ( 50.873 61.019 -15.361) 80.916 28.553 ( -0.706 -22.057 -0.312) 22.071 29.159 ( 3.409 -4.936 -0.294) 6.006 29.448 ( -5.085 18.123 -0.139) 18.823 30.524 ( -3.276 -7.434 0.986) 8.184 30.712 ( -19.591 -13.304 -6.177) 24.474 31.141 ( -27.791 -17.423 -22.964) 40.040 32.827 ( 1.165 0.641 1.266) 1.836 32.948 ( -3.197 -0.257 -1.230) 3.435 33.022 ( -2.416 2.039 -2.287) 3.902 33.100 ( -5.709 6.989 -13.216) 16.003 33.384 ( -3.644 -0.962 2.814) 4.703 33.519 ( 3.556 4.151 -1.681) 5.718 34.041 ( 0.935 -13.323 17.672) 22.151 34.562 ( 0.208 -6.427 3.332) 7.243 42.436 ( -0.082 6.504 0.425) 6.519 42.576 ( 9.565 14.668 -5.465) 18.344 43.317 ( -1.743 -3.305 1.590) 4.060 43.468 ( -3.153 -6.998 -2.103) 7.959 51.475 ( 0.705 34.686 0.699) 34.700 51.757 ( 54.118 69.774 -14.632) 89.506 55.504 ( -46.974 -20.437 -73.296) 89.423 57.875 ( -5.807 -34.656 27.710) 44.751 ======================= Grid point 97 (45/104) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 1.329 23.832 6.401) 24.713 1.558 ( -7.321 28.949 8.241) 30.977 1.939 ( 6.272 11.262 -0.721) 12.911 2.092 ( -4.212 6.740 -0.712) 7.980 2.407 ( 6.189 9.761 5.233) 12.687 2.658 ( -10.120 8.364 1.387) 13.202 2.791 ( 4.824 4.512 -14.753) 16.164 3.000 ( -0.138 -1.062 3.483) 3.644 3.040 ( 8.668 1.176 7.241) 11.355 3.202 ( 1.068 8.439 -4.863) 9.798 3.323 ( -5.956 -7.593 -2.124) 9.881 3.566 ( -2.446 -4.286 -5.590) 7.456 3.703 ( -2.627 -6.294 -1.528) 6.989 3.804 ( 5.397 2.446 -1.330) 6.073 4.061 ( 1.437 7.262 -0.806) 7.447 4.290 ( 1.010 -0.693 -3.309) 3.529 4.337 ( -7.012 -3.416 -3.266) 8.456 4.421 ( 1.223 7.800 -0.620) 7.920 4.515 ( -7.054 10.662 -5.106) 13.766 4.611 ( 2.917 12.224 2.576) 12.829 4.652 ( 3.654 17.672 -1.774) 18.133 4.869 ( -4.545 5.890 9.800) 12.304 4.985 ( 0.122 -3.198 2.823) 4.268 5.044 ( 0.054 1.033 5.189) 5.291 5.133 ( 1.002 -6.052 1.694) 6.364 5.165 ( 0.764 1.872 -0.096) 2.024 5.283 ( 6.115 10.372 0.969) 12.080 5.559 ( 2.019 0.646 -1.569) 2.637 5.606 ( -2.840 6.101 -0.447) 6.745 5.752 ( 4.265 -1.705 -3.643) 5.862 5.827 ( 6.669 -7.097 1.936) 9.929 6.190 ( -0.749 -9.447 -0.687) 9.502 6.352 ( -5.625 -10.545 -1.375) 12.030 6.416 ( 2.473 -9.856 2.033) 10.363 6.565 ( -3.748 -8.245 -4.169) 9.970 6.683 ( 3.078 -9.867 3.498) 10.912 6.724 ( -2.088 -15.856 -2.086) 16.129 6.913 ( 1.361 -9.097 3.914) 9.997 6.948 ( 1.903 -5.961 6.144) 8.769 7.130 ( 5.731 -2.118 3.138) 6.868 7.190 ( -10.670 -2.089 5.680) 12.267 7.289 ( -4.096 -4.142 -1.537) 6.025 7.478 ( -0.347 0.754 -2.154) 2.309 7.618 ( 3.116 -1.433 -4.551) 5.699 8.178 ( 3.208 13.764 2.194) 14.302 8.516 ( -2.160 9.395 -6.558) 11.659 8.923 ( 1.382 7.001 10.063) 12.337 9.485 ( -0.377 -11.349 -3.841) 11.987 11.599 ( -0.429 1.793 0.381) 1.883 11.638 ( 0.691 2.790 -0.513) 2.919 11.729 ( -0.425 -1.354 0.722) 1.592 11.768 ( 0.442 -1.184 -0.172) 1.276 11.966 ( 2.169 18.686 3.737) 19.179 12.408 ( -4.780 20.801 -6.770) 22.391 13.642 ( 1.585 -23.042 3.775) 23.403 13.830 ( -0.433 -18.236 -1.045) 18.271 14.665 ( 2.637 30.818 5.209) 31.366 15.368 ( -5.805 4.890 -3.471) 8.346 15.435 ( -1.480 -2.060 0.318) 2.556 15.750 ( 1.036 5.140 -12.861) 13.889 15.909 ( -1.133 0.687 -6.349) 6.485 15.964 ( -3.246 -6.519 -1.700) 7.478 16.088 ( 4.626 -4.704 1.391) 6.743 16.193 ( -2.912 1.761 -0.946) 3.532 16.989 ( 6.256 11.291 4.240) 13.587 17.205 ( -3.466 7.471 -0.793) 8.274 17.552 ( -1.903 -2.384 -0.150) 3.054 17.750 ( 1.691 -5.271 -8.480) 10.127 25.634 ( -0.128 7.307 0.181) 7.310 25.699 ( 0.495 7.886 -1.161) 7.986 25.855 ( 2.812 21.610 7.501) 23.047 26.261 ( -1.345 -6.466 -0.733) 6.645 26.397 ( 0.630 6.746 2.035) 7.074 27.926 ( -16.390 24.832 -48.757) 57.118 28.156 ( 7.531 -16.067 -0.476) 17.751 28.946 ( -7.695 -9.099 -10.519) 15.895 29.774 ( -1.917 15.520 0.273) 15.641 29.835 ( 1.522 12.261 -1.877) 12.497 30.451 ( -0.533 -7.636 2.320) 7.999 30.696 ( 0.186 -9.326 -5.752) 10.959 32.900 ( 2.601 1.533 5.545) 6.314 33.073 ( 2.098 2.678 4.293) 5.478 33.100 ( 5.116 -0.337 5.289) 7.366 33.300 ( 7.174 4.340 1.841) 8.584 33.310 ( -2.603 -1.846 0.113) 3.193 33.632 ( -1.698 8.104 -5.010) 9.678 33.928 ( 2.242 -14.444 15.024) 20.961 34.364 ( -2.570 -11.361 -0.778) 11.674 42.614 ( -0.726 10.275 0.489) 10.312 42.817 ( 0.119 8.992 -6.781) 11.263 43.202 ( -1.088 -6.163 0.912) 6.325 43.292 ( 0.441 -5.770 -1.060) 5.883 52.444 ( -5.984 60.026 -3.700) 60.436 52.827 ( -8.705 50.134 -31.053) 59.611 55.709 ( 70.571 -54.043 44.271) 99.302 56.702 ( -23.504 -57.687 -1.506) 62.309 ======================= Grid point 98 (46/104) ======================= q-point: ( 0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 4.486 22.881 8.702) 24.888 1.660 ( 8.387 19.387 13.765) 25.213 1.958 ( -1.331 3.650 -9.336) 10.112 2.201 ( 12.166 6.422 5.534) 14.828 2.470 ( -11.075 0.500 2.008) 11.267 2.570 ( 6.727 0.406 -3.137) 7.434 2.728 ( 5.971 1.687 -17.948) 18.991 3.022 ( -3.948 -6.053 1.307) 7.344 3.098 ( -3.284 -1.172 -8.738) 9.408 3.215 ( -6.761 4.309 9.973) 12.796 3.331 ( 9.199 10.553 11.739) 18.270 3.476 ( 0.919 4.539 -6.111) 7.667 3.641 ( -2.805 -1.443 -1.029) 3.318 3.906 ( 6.854 -5.104 -3.151) 9.108 4.073 ( -2.262 4.882 1.006) 5.474 4.188 ( -2.990 0.532 -1.736) 3.498 4.277 ( -1.949 5.169 -3.340) 6.456 4.317 ( -3.771 16.791 -9.909) 19.858 4.392 ( -4.787 13.371 -2.152) 14.364 4.542 ( -2.075 10.435 -3.250) 11.125 4.769 ( 2.107 7.835 6.174) 10.196 4.866 ( -4.865 9.408 7.687) 13.088 5.011 ( 0.052 -2.204 1.479) 2.655 5.088 ( -3.537 -3.347 6.596) 8.199 5.176 ( 1.418 1.220 2.329) 2.987 5.190 ( 3.209 2.608 2.071) 4.625 5.374 ( 4.181 7.398 -4.705) 9.713 5.538 ( -1.975 8.162 -1.960) 8.624 5.563 ( 0.475 1.765 -1.874) 2.617 5.779 ( -1.102 -1.782 2.361) 3.157 5.893 ( -3.114 -10.553 2.910) 11.381 6.114 ( -1.439 -13.948 -8.605) 16.452 6.272 ( -4.160 -7.986 3.780) 9.765 6.427 ( -5.600 -11.419 -2.103) 12.891 6.510 ( 2.828 -5.310 3.709) 7.068 6.663 ( -1.313 -15.756 -3.363) 16.164 6.774 ( 2.285 -14.642 3.138) 15.148 6.934 ( -1.371 -7.479 1.792) 7.812 7.014 ( -4.624 -6.547 2.156) 8.300 7.112 ( 0.940 -3.518 6.360) 7.329 7.253 ( 4.557 -0.952 -2.270) 5.180 7.307 ( 6.111 -2.672 2.571) 7.148 7.504 ( 5.570 1.559 -2.344) 6.241 7.664 ( 5.263 -2.157 -2.259) 6.120 8.305 ( 6.971 9.549 2.950) 12.185 8.397 ( -3.176 9.653 -6.250) 11.930 8.951 ( -7.961 7.572 7.127) 13.095 9.372 ( -6.474 -5.315 -3.038) 8.910 11.581 ( -1.523 2.608 -0.055) 3.021 11.629 ( -1.291 2.517 -0.110) 2.831 11.723 ( -0.827 -1.289 0.399) 1.583 11.760 ( -1.226 -1.272 0.097) 1.769 12.052 ( 0.940 19.080 5.485) 19.875 12.196 ( -8.158 22.127 -6.125) 24.365 13.686 ( -0.535 -20.978 1.984) 21.078 13.816 ( 0.410 -18.915 -0.312) 18.922 14.711 ( -5.519 26.489 5.648) 27.641 15.044 ( -14.958 13.528 -6.758) 21.270 15.406 ( 1.652 0.035 0.154) 1.660 15.673 ( -5.900 -5.625 -3.020) 8.693 15.843 ( -4.656 -4.453 -0.969) 6.515 15.916 ( 4.902 1.258 -4.940) 7.072 16.180 ( 2.892 0.738 -2.700) 4.025 16.216 ( 5.266 -2.368 2.032) 6.121 17.065 ( -5.784 8.445 -3.420) 10.792 17.183 ( 6.840 8.848 4.890) 12.206 17.504 ( -2.151 -1.835 -1.819) 3.362 17.743 ( 3.767 -2.427 -5.477) 7.077 25.627 ( -1.055 9.501 0.650) 9.581 25.680 ( -1.181 6.723 -1.498) 6.988 25.966 ( -1.181 16.961 9.944) 19.696 26.173 ( -6.717 -1.890 -3.587) 7.845 26.445 ( 1.185 11.534 4.389) 12.398 26.981 ( -27.373 41.574 -29.110) 57.663 28.298 ( 2.366 -23.346 11.405) 26.091 28.653 ( -11.477 -16.061 -14.196) 24.314 29.840 ( 8.257 14.137 0.225) 16.373 30.009 ( 12.702 10.948 -6.628) 18.032 30.521 ( 5.672 -6.829 0.520) 8.893 30.705 ( 4.890 -8.649 -3.618) 10.574 33.002 ( 2.401 3.528 4.407) 6.135 33.066 ( -0.453 4.309 -1.238) 4.507 33.218 ( -0.086 4.443 7.025) 8.312 33.257 ( -1.399 -1.175 -1.962) 2.681 33.478 ( 2.697 2.326 -4.130) 5.453 33.525 ( 2.066 2.783 -4.680) 5.824 34.151 ( 4.932 -19.604 15.508) 25.478 34.272 ( -5.169 -12.130 -3.280) 13.587 42.600 ( -1.146 10.401 0.456) 10.474 42.741 ( -1.637 11.435 -4.086) 12.253 43.193 ( -0.677 -6.288 0.708) 6.364 43.310 ( 2.057 -6.369 -1.105) 6.783 52.245 ( -9.727 57.361 -5.153) 58.408 52.536 ( -4.146 63.201 -6.042) 63.624 56.025 ( -34.866 -48.497 -21.635) 63.527 57.265 ( 49.369 -96.988 26.320) 111.967 ======================= Grid point 99 (47/104) ======================= q-point: ( 0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 9.017 16.960 12.831) 23.099 1.860 ( 1.809 1.953 -5.091) 5.745 1.986 ( 8.838 9.196 7.221) 14.657 2.276 ( -3.794 4.230 3.164) 6.503 2.413 ( 1.485 0.363 1.894) 2.434 2.620 ( -9.855 2.508 -21.230) 23.540 2.642 ( 4.944 -7.619 -3.644) 9.786 2.733 ( -5.545 1.619 -6.945) 9.033 3.101 ( -2.035 -9.202 5.726) 11.028 3.189 ( -2.639 5.128 5.143) 7.727 3.423 ( -1.208 2.236 -0.639) 2.620 3.541 ( -3.568 4.582 -3.229) 6.645 3.704 ( 10.684 15.852 12.064) 22.605 3.891 ( -6.155 2.582 -8.149) 10.533 4.007 ( -1.134 -1.266 -1.291) 2.134 4.065 ( -9.333 15.409 -4.959) 18.685 4.231 ( 3.731 22.760 -6.413) 23.939 4.298 ( 1.183 19.636 5.314) 20.377 4.313 ( 1.915 3.708 1.289) 4.368 4.534 ( 1.643 -1.815 0.018) 2.448 4.779 ( -9.266 9.350 5.395) 14.226 4.841 ( -0.387 2.558 3.965) 4.734 5.015 ( -4.306 2.306 3.250) 5.867 5.033 ( -1.952 -4.784 0.162) 5.170 5.248 ( 2.650 7.204 1.758) 7.875 5.279 ( 2.848 1.249 2.951) 4.288 5.379 ( 3.704 6.926 -6.988) 10.513 5.485 ( -2.805 6.851 -3.914) 8.374 5.544 ( -0.218 3.428 -3.152) 4.662 5.692 ( -7.120 -1.453 -0.580) 7.290 5.846 ( -6.943 -9.430 6.220) 13.260 6.017 ( -0.292 -13.240 -9.528) 16.315 6.226 ( -4.093 -4.591 2.827) 6.769 6.338 ( -1.626 -11.160 -0.307) 11.282 6.591 ( -0.483 -9.695 2.878) 10.125 6.618 ( 1.091 -15.438 -0.637) 15.490 6.822 ( 0.179 -15.245 3.035) 15.545 6.906 ( -3.643 -4.158 0.825) 5.589 6.929 ( -1.724 -7.454 -2.519) 8.055 7.207 ( 2.823 -4.163 3.153) 5.936 7.342 ( 7.095 -0.376 -1.565) 7.275 7.420 ( 3.865 -3.061 0.447) 4.950 7.607 ( 5.037 2.642 0.076) 5.689 7.777 ( 7.699 -2.909 0.891) 8.279 8.279 ( -0.705 7.706 -4.647) 9.026 8.508 ( 9.700 5.322 1.777) 11.206 8.822 ( -7.196 11.709 1.443) 13.819 9.222 ( -8.781 -2.574 0.467) 9.163 11.556 ( -0.729 2.792 -0.134) 2.889 11.595 ( -2.227 3.427 0.183) 4.091 11.704 ( -1.542 -0.920 -0.122) 1.799 11.730 ( -2.022 -0.918 0.245) 2.234 11.953 ( -6.828 16.986 -3.845) 18.707 12.172 ( -0.548 20.544 6.375) 21.517 13.660 ( -1.133 -22.432 -2.435) 22.592 13.854 ( 2.293 -20.546 2.201) 20.791 14.567 ( -8.716 14.293 -2.386) 16.910 14.812 ( -10.564 10.314 2.335) 14.947 15.408 ( -4.621 -6.739 1.076) 8.242 15.490 ( -10.949 -12.419 0.328) 16.559 15.867 ( 7.055 6.207 4.105) 10.254 15.984 ( 6.028 3.621 -4.133) 8.157 16.212 ( 2.332 1.495 -1.737) 3.270 16.298 ( 1.628 1.426 1.535) 2.653 16.922 ( -4.960 11.136 -4.343) 12.941 17.343 ( 4.863 8.491 3.170) 10.286 17.458 ( -0.702 -2.788 -0.647) 2.947 17.761 ( 2.474 -1.215 -3.812) 4.705 25.605 ( -2.147 10.384 0.204) 10.606 25.629 ( -2.461 6.985 -1.623) 7.582 25.884 ( -10.124 14.943 -3.272) 18.344 26.039 ( -6.101 11.265 5.083) 13.783 26.501 ( -0.154 14.606 4.070) 15.163 26.555 ( -5.574 20.270 -6.151) 21.904 28.304 ( -11.584 -23.529 -10.580) 28.280 28.429 ( -1.773 -25.155 11.419) 27.682 29.994 ( 6.940 12.153 -4.108) 14.586 30.219 ( 13.794 10.635 5.678) 18.320 30.621 ( 5.376 -6.919 -2.204) 9.035 30.806 ( 9.105 -7.779 -2.178) 12.172 33.025 ( -1.055 3.670 -2.818) 4.745 33.062 ( 0.440 4.400 0.690) 4.475 33.208 ( 0.113 -0.761 -3.026) 3.122 33.276 ( -2.185 5.356 5.097) 7.710 33.337 ( -3.998 8.987 -4.594) 10.856 33.638 ( 7.055 -2.085 -2.200) 7.679 34.128 ( -6.244 -12.324 -4.480) 14.523 34.341 ( 3.260 -18.560 8.856) 20.822 42.582 ( -1.303 10.451 0.616) 10.550 42.697 ( -0.537 11.734 -1.641) 11.860 43.191 ( -0.448 -6.862 1.096) 6.963 43.337 ( 1.804 -7.228 -1.108) 7.532 52.008 ( -10.717 51.342 -4.507) 52.642 52.498 ( -0.520 66.154 3.132) 66.230 55.187 ( -26.998 -37.598 -27.754) 53.970 57.930 ( 10.679 -97.684 5.882) 98.441 ======================= Grid point 100 (48/104) ======================= q-point: ( 0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 2.208 0.029 2.587) 3.401 1.912 ( -2.208 6.807 11.507) 13.551 2.018 ( -12.631 2.603 -11.692) 17.407 2.225 ( 2.849 9.072 -7.312) 11.995 2.327 ( 5.080 -2.183 -1.526) 5.736 2.509 ( 0.072 5.728 6.887) 8.958 2.608 ( -6.055 -1.598 1.516) 6.443 2.694 ( 1.480 -6.935 1.787) 7.313 3.070 ( -6.806 -5.317 5.943) 10.484 3.179 ( -2.758 7.418 -0.947) 7.971 3.338 ( -5.403 4.019 -3.197) 7.454 3.488 ( 0.156 9.938 2.548) 10.260 3.679 ( -8.116 8.791 -5.756) 13.277 3.727 ( -12.646 21.582 -4.038) 25.338 4.003 ( 8.255 3.022 2.123) 9.043 4.051 ( 1.871 4.204 -0.097) 4.603 4.212 ( -2.939 6.709 -3.268) 8.020 4.277 ( 4.772 19.172 -4.655) 20.297 4.498 ( 1.787 21.226 4.309) 21.732 4.606 ( 1.523 1.423 5.460) 5.844 4.658 ( -3.222 4.360 7.061) 8.902 4.878 ( -2.705 -6.196 0.655) 6.793 4.917 ( -2.059 10.032 1.764) 10.392 5.031 ( 0.168 2.403 1.694) 2.945 5.238 ( -5.415 13.525 -12.137) 18.962 5.323 ( -1.638 -0.120 3.324) 3.708 5.329 ( 0.153 1.755 0.123) 1.766 5.414 ( 0.837 0.951 -2.955) 3.215 5.496 ( -1.284 3.587 -5.122) 6.384 5.619 ( -2.182 4.226 -1.195) 4.904 5.732 ( -5.838 -3.492 0.536) 6.824 5.916 ( -1.801 -8.353 -7.931) 11.659 6.197 ( -1.101 -3.344 2.103) 4.101 6.366 ( 1.235 -12.759 5.510) 13.953 6.563 ( -0.432 -12.154 -1.921) 12.313 6.669 ( 0.550 -15.362 2.701) 15.608 6.815 ( -3.757 -11.469 -1.370) 12.146 6.853 ( -0.917 -9.499 4.011) 10.352 6.929 ( 3.402 -3.631 -3.439) 6.048 7.263 ( 1.642 -4.810 0.083) 5.084 7.452 ( 3.915 -2.165 -2.300) 5.030 7.478 ( 4.603 -2.687 1.440) 5.521 7.690 ( 3.814 2.523 1.691) 4.876 7.910 ( 3.392 -2.762 2.382) 4.981 8.311 ( 6.865 4.255 -0.953) 8.133 8.646 ( 3.167 2.907 -1.269) 4.483 8.793 ( 3.628 9.742 0.992) 10.443 9.074 ( -6.643 1.223 0.429) 6.768 11.548 ( -0.768 2.508 0.183) 2.629 11.568 ( -0.153 3.756 0.139) 3.761 11.663 ( -2.718 0.606 0.033) 2.785 11.693 ( -2.017 -0.420 -0.342) 2.089 11.828 ( -4.106 13.655 -1.386) 14.326 12.182 ( -3.066 17.818 3.003) 18.327 13.623 ( -0.316 -29.204 -2.383) 29.303 13.925 ( 3.079 -24.532 1.698) 24.783 14.414 ( -5.336 10.357 -1.753) 11.782 14.647 ( -9.408 6.900 1.493) 11.762 15.287 ( -7.240 -11.770 -2.097) 13.977 15.316 ( -8.358 -14.479 2.626) 16.923 16.047 ( 5.173 4.173 -2.993) 7.289 16.082 ( 6.756 8.343 7.473) 13.081 16.229 ( 0.674 2.770 -0.546) 2.903 16.307 ( -1.102 4.171 -0.090) 4.315 16.820 ( -2.459 14.236 -2.186) 14.611 17.379 ( 1.555 6.506 -4.834) 8.253 17.500 ( 0.782 -0.817 6.326) 6.426 17.764 ( 1.379 -1.060 -2.727) 3.234 25.527 ( -4.491 13.037 -1.005) 13.826 25.591 ( -0.882 7.229 -1.054) 7.359 25.733 ( -3.672 14.579 -0.943) 15.064 25.952 ( -7.750 12.201 3.256) 14.817 26.474 ( 0.010 8.105 -1.774) 8.297 26.536 ( -0.720 13.488 2.604) 13.756 28.037 ( -8.303 -28.352 -6.146) 30.176 28.456 ( -5.002 -26.583 7.485) 28.066 30.038 ( 2.959 13.702 -3.201) 14.379 30.520 ( 8.181 6.473 7.857) 13.060 30.686 ( 3.526 -7.307 -0.343) 8.120 31.000 ( 11.685 -8.253 2.130) 14.464 32.950 ( -2.585 3.445 -4.671) 6.354 33.067 ( 0.403 4.327 -0.431) 4.367 33.183 ( -0.939 4.254 -2.076) 4.826 33.249 ( 1.789 3.861 -1.047) 4.382 33.315 ( -1.384 5.215 2.942) 6.146 33.732 ( 5.075 -0.999 -1.923) 5.519 33.978 ( -5.541 -11.248 -3.657) 13.061 34.434 ( 1.279 -16.579 2.835) 16.869 42.566 ( -1.152 10.409 0.772) 10.501 42.683 ( 0.081 11.375 -0.865) 11.408 43.195 ( -0.614 -7.530 1.732) 7.751 43.355 ( 1.304 -7.841 -1.082) 8.022 51.797 ( -8.335 46.064 -1.923) 46.851 52.515 ( -1.333 65.039 2.401) 65.097 54.650 ( -9.948 -33.320 -12.824) 37.063 57.928 ( -6.297 -87.901 -7.236) 88.422 ======================= Grid point 101 (49/104) ======================= q-point: ( 0.40 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -7.892 6.357 -9.261) 13.728 1.966 ( -0.211 -4.407 14.874) 15.515 1.992 ( 1.189 5.403 9.872) 11.317 2.269 ( 0.482 -0.573 -1.834) 1.981 2.356 ( -3.727 1.055 -1.061) 4.016 2.479 ( -3.464 -2.347 -0.864) 4.272 2.529 ( -0.625 -0.366 3.145) 3.228 2.797 ( -1.593 0.993 10.407) 10.575 3.005 ( -4.358 -0.894 3.540) 5.685 3.071 ( -5.941 8.007 -0.171) 9.972 3.238 ( 0.267 5.839 -7.477) 9.491 3.466 ( -6.140 12.157 -2.034) 13.770 3.502 ( -6.853 14.392 -3.929) 16.417 3.596 ( 2.744 12.643 5.055) 13.890 4.027 ( 1.129 7.297 -3.162) 8.032 4.124 ( 0.324 6.853 -9.034) 11.344 4.158 ( 2.677 3.000 0.451) 4.046 4.324 ( 1.504 22.757 1.372) 22.848 4.466 ( -2.851 9.708 -0.557) 10.133 4.588 ( -5.953 9.093 8.049) 13.524 4.744 ( -4.429 -0.208 0.662) 4.483 4.797 ( 1.329 -0.001 3.724) 3.954 4.944 ( -4.593 6.609 -7.935) 11.302 5.038 ( 5.557 7.719 -5.212) 10.846 5.162 ( 7.530 16.021 6.633) 18.904 5.274 ( -4.506 -0.709 -4.460) 6.380 5.301 ( -3.549 4.061 -0.608) 5.428 5.373 ( -2.477 -0.831 -7.426) 7.873 5.451 ( 3.320 2.510 -2.505) 4.858 5.523 ( -5.011 0.479 -0.120) 5.035 5.720 ( 1.679 8.115 -0.320) 8.293 5.832 ( -0.681 -3.959 -4.104) 5.743 6.216 ( 0.431 -3.190 1.965) 3.771 6.448 ( 0.463 -13.714 6.999) 15.404 6.544 ( 0.804 -10.293 -2.787) 10.694 6.673 ( -1.367 -17.342 0.515) 17.403 6.764 ( -1.105 -11.933 0.811) 12.012 6.860 ( -1.287 -8.977 1.830) 9.251 6.978 ( 4.409 -4.280 -2.527) 6.644 7.271 ( 0.395 -5.240 -1.953) 5.606 7.485 ( 1.557 -1.652 0.652) 2.362 7.583 ( 4.624 -5.013 0.269) 6.825 7.774 ( 3.092 0.930 1.790) 3.692 7.930 ( -2.765 -1.541 1.914) 3.699 8.474 ( 9.240 1.492 1.615) 9.498 8.650 ( -0.634 3.532 -0.126) 3.591 8.860 ( 0.786 5.426 -0.282) 5.489 9.024 ( 1.258 3.573 -0.906) 3.895 11.536 ( -0.408 4.697 0.219) 4.719 11.580 ( 0.561 2.774 0.262) 2.842 11.617 ( -1.915 1.427 0.395) 2.420 11.648 ( -2.165 0.766 -0.674) 2.393 11.774 ( -1.556 10.543 0.440) 10.667 12.130 ( -2.945 15.049 -1.340) 15.393 13.611 ( 0.289 -35.101 0.417) 35.104 13.978 ( 1.646 -32.102 -0.584) 32.150 14.346 ( -1.497 10.576 0.080) 10.681 14.506 ( -5.955 7.917 -0.383) 9.914 15.152 ( -4.655 -13.575 -1.191) 14.400 15.220 ( -4.591 -14.127 1.158) 14.899 16.096 ( 3.291 4.221 -2.555) 5.931 16.208 ( 0.429 4.519 1.203) 4.696 16.230 ( -0.071 4.943 1.005) 5.044 16.278 ( -0.786 5.193 0.484) 5.275 16.802 ( 0.084 16.783 2.874) 17.028 17.358 ( 1.587 6.605 -5.801) 8.933 17.557 ( -0.756 -0.333 6.059) 6.115 17.768 ( 1.130 -1.291 -1.497) 2.277 25.462 ( -2.050 14.591 0.426) 14.740 25.576 ( 0.114 5.712 -0.286) 5.720 25.698 ( -0.494 15.291 -0.059) 15.299 25.833 ( -6.331 11.418 0.256) 13.058 26.476 ( 0.807 4.337 -0.476) 4.437 26.537 ( -0.513 10.176 0.329) 10.194 27.898 ( -3.039 -30.629 -0.887) 30.793 28.393 ( -5.538 -28.372 0.915) 28.922 30.069 ( 2.152 14.494 0.347) 14.657 30.620 ( 0.477 6.202 -1.230) 6.341 30.756 ( 2.421 -6.730 3.835) 8.115 31.210 ( 5.462 -10.809 4.905) 13.066 32.888 ( -0.209 4.489 -1.586) 4.765 33.074 ( 0.583 4.440 -0.152) 4.481 33.156 ( -0.379 6.080 -1.048) 6.181 33.262 ( -2.334 4.899 0.941) 5.508 33.354 ( 4.384 -0.272 1.636) 4.688 33.787 ( 2.982 -1.329 -2.306) 3.997 33.874 ( -2.795 -9.391 -1.260) 9.878 34.443 ( -0.475 -15.615 -2.604) 15.838 42.556 ( -0.714 10.291 1.008) 10.365 42.678 ( 0.210 11.112 -0.986) 11.157 43.200 ( -0.804 -7.867 2.194) 8.207 43.365 ( 0.863 -8.181 -1.178) 8.310 51.690 ( -3.170 43.508 2.452) 43.692 52.479 ( -2.461 62.575 -2.543) 62.675 54.572 ( 0.911 -36.103 10.801) 37.695 57.679 ( -6.362 -80.649 -17.558) 82.783 ======================= Grid point 102 (50/104) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 7.677 5.977 4.332) 10.650 2.006 ( -12.540 0.863 3.201) 12.971 2.140 ( 1.351 -4.464 20.930) 21.443 2.225 ( 4.445 5.853 -1.113) 7.433 2.378 ( 2.586 -6.295 4.405) 8.106 2.432 ( 3.636 -2.646 1.785) 4.839 2.583 ( -1.227 1.926 2.257) 3.211 2.731 ( -10.567 6.759 2.968) 12.890 2.963 ( -2.856 -2.045 1.116) 3.685 3.021 ( 0.495 7.225 0.966) 7.306 3.225 ( 5.410 5.996 -4.338) 9.167 3.330 ( -2.241 6.635 -7.640) 10.364 3.499 ( 4.616 18.291 5.311) 19.598 3.725 ( 5.459 10.731 5.363) 13.180 4.024 ( 1.222 16.483 -5.541) 17.433 4.065 ( 2.876 7.246 -7.869) 11.077 4.139 ( -0.106 4.006 -6.728) 7.831 4.353 ( -2.803 18.589 5.960) 19.721 4.417 ( -3.460 6.746 2.868) 8.105 4.542 ( -3.819 18.346 1.311) 18.785 4.656 ( -4.451 8.851 -9.665) 13.840 4.784 ( -1.647 -0.073 5.116) 5.376 4.851 ( 0.459 -6.893 -1.160) 7.005 5.111 ( 2.290 1.758 -8.030) 8.533 5.127 ( -3.880 3.738 -5.947) 8.025 5.250 ( 1.968 -3.566 -1.135) 4.228 5.288 ( 1.301 4.306 -5.574) 7.163 5.365 ( 4.464 12.725 6.761) 15.085 5.443 ( 0.048 3.202 -3.317) 4.610 5.506 ( 2.047 4.693 0.234) 5.125 5.747 ( 1.746 10.201 -0.325) 10.355 5.814 ( 1.199 -2.993 -1.756) 3.672 6.225 ( -1.421 -3.510 1.643) 4.128 6.478 ( -1.356 -9.382 1.361) 9.577 6.552 ( 0.489 -11.426 1.481) 11.532 6.661 ( -0.335 -17.715 0.697) 17.732 6.765 ( -0.527 -12.392 0.888) 12.435 6.855 ( -0.649 -10.212 2.529) 10.540 7.025 ( 2.223 -4.572 -1.755) 5.378 7.249 ( -0.151 -5.031 -3.016) 5.868 7.515 ( 0.396 -2.178 1.680) 2.779 7.640 ( 1.382 -6.751 0.174) 6.893 7.807 ( -2.526 -0.164 1.594) 2.991 7.883 ( -1.719 0.346 0.556) 1.840 8.608 ( -1.676 3.964 2.213) 4.840 8.665 ( 5.156 -1.382 3.154) 6.201 8.840 ( -1.652 7.166 -0.724) 7.390 9.022 ( -1.067 3.069 -3.279) 4.617 11.543 ( 0.640 5.896 0.688) 5.971 11.575 ( -1.000 1.147 0.575) 1.627 11.601 ( -1.156 1.804 -0.712) 2.257 11.629 ( 1.492 1.553 -0.102) 2.156 11.775 ( 0.621 10.533 1.963) 10.733 12.062 ( -1.340 13.800 -4.443) 14.559 13.649 ( 1.748 -37.133 3.642) 37.352 13.960 ( -1.563 -35.566 -3.547) 35.776 14.344 ( 0.643 9.918 0.954) 9.984 14.439 ( -0.394 9.495 -1.276) 9.589 15.117 ( 1.167 -13.853 0.462) 13.910 15.165 ( -1.382 -13.874 -0.653) 13.958 16.123 ( 1.838 4.681 -1.680) 5.301 16.146 ( -3.758 6.903 -3.158) 8.471 16.243 ( 0.069 3.433 1.216) 3.643 16.289 ( 0.120 3.741 0.712) 3.810 16.859 ( 0.851 15.908 6.556) 17.226 17.330 ( 1.287 7.905 -6.399) 10.252 17.586 ( -1.898 -0.724 5.538) 5.899 17.781 ( 1.501 -1.276 -0.733) 2.102 25.459 ( 0.527 14.851 1.861) 14.976 25.597 ( 1.838 5.528 1.058) 5.921 25.680 ( -1.800 20.343 -1.510) 20.478 25.755 ( -0.620 6.471 -1.027) 6.581 26.486 ( 0.486 4.154 0.048) 4.183 26.524 ( -0.667 7.415 -0.819) 7.490 27.913 ( 3.241 -31.115 3.741) 31.507 28.286 ( -3.869 -29.903 -4.745) 30.523 30.130 ( 2.229 14.253 4.137) 15.008 30.549 ( -3.705 8.994 -6.524) 11.712 30.845 ( 1.478 -7.264 7.740) 10.717 31.258 ( -2.942 -11.620 0.939) 12.023 32.923 ( 3.289 4.911 2.726) 6.508 33.083 ( 0.356 4.902 0.171) 4.918 33.147 ( 0.446 6.359 -0.940) 6.443 33.200 ( -3.116 6.181 -2.669) 7.419 33.446 ( 0.866 -2.605 5.024) 5.725 33.804 ( 1.349 -2.577 -2.307) 3.712 33.873 ( 2.541 -9.071 2.178) 9.669 34.369 ( -2.327 -15.486 -7.988) 17.579 42.558 ( -0.230 10.138 1.318) 10.226 42.672 ( 0.290 11.094 -1.314) 11.175 43.206 ( -0.794 -7.851 2.466) 8.267 43.366 ( 0.554 -8.281 -1.311) 8.402 51.727 ( 2.135 44.002 7.404) 44.672 52.389 ( -1.960 60.537 -7.620) 61.046 54.828 ( 5.891 -40.790 29.375) 50.611 57.418 ( 1.050 -77.579 -28.286) 82.581 ======================= Grid point 103 (51/104) ======================= q-point: (-0.40 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( -11.960 4.354 -2.771) 13.027 1.874 ( 7.972 4.113 9.179) 12.834 2.263 ( -6.896 11.262 -2.740) 13.487 2.350 ( 4.666 -4.797 8.027) 10.450 2.475 ( 1.233 5.972 2.780) 6.702 2.553 ( 2.612 -2.550 9.784) 10.443 2.605 ( 8.411 -5.326 -2.520) 10.270 2.624 ( -1.826 1.909 11.519) 11.818 2.922 ( -2.037 -3.130 -0.159) 3.738 3.124 ( 8.748 4.187 3.633) 10.356 3.271 ( 4.401 10.075 -6.086) 12.566 3.374 ( 9.273 3.886 1.250) 10.131 3.686 ( 8.335 18.354 5.633) 20.930 3.888 ( 6.024 8.739 5.929) 12.158 3.942 ( -1.558 19.371 -9.229) 21.514 4.037 ( -0.692 16.371 -12.813) 20.801 4.110 ( 2.694 3.987 3.683) 6.060 4.307 ( -6.352 19.904 -3.980) 21.269 4.375 ( -4.270 19.943 -1.332) 20.439 4.431 ( 1.342 5.309 3.109) 6.297 4.569 ( -1.221 -0.956 -4.328) 4.597 4.827 ( -0.194 -3.473 2.630) 4.361 4.872 ( 3.631 -3.339 -1.054) 5.045 5.010 ( -6.579 0.474 -0.152) 6.598 5.066 ( 5.395 -6.596 -9.111) 12.475 5.274 ( 2.722 2.338 -5.667) 6.708 5.312 ( 1.853 -0.734 -1.302) 2.381 5.356 ( -1.184 4.056 -3.517) 5.498 5.517 ( 2.259 10.558 3.213) 11.265 5.550 ( 3.608 7.717 -0.955) 8.572 5.776 ( 1.375 7.076 -0.524) 7.227 5.852 ( 5.043 -3.402 -1.490) 6.263 6.209 ( -1.572 -4.472 2.290) 5.264 6.457 ( -0.380 -4.108 -1.122) 4.275 6.563 ( -1.842 -14.456 3.238) 14.928 6.664 ( -0.229 -17.719 0.834) 17.740 6.744 ( -1.451 -8.822 -0.772) 8.974 6.891 ( 0.451 -12.122 3.786) 12.708 7.006 ( -2.429 -5.518 -1.334) 6.175 7.219 ( 0.093 -4.754 -3.501) 5.905 7.527 ( -0.703 -1.864 1.333) 2.397 7.643 ( -1.376 -6.377 1.031) 6.605 7.726 ( -6.179 1.686 1.667) 6.618 7.880 ( -0.375 0.017 0.517) 0.639 8.549 ( -6.448 2.590 3.982) 8.009 8.779 ( -1.900 8.229 2.437) 8.790 8.798 ( 1.260 0.062 -0.070) 1.264 8.924 ( -3.019 4.263 -5.269) 7.419 11.548 ( -0.656 2.818 0.787) 2.998 11.569 ( -0.572 3.323 -0.346) 3.389 11.603 ( 2.502 1.072 0.027) 2.722 11.665 ( 2.221 1.089 -0.344) 2.497 11.838 ( 3.394 12.600 3.863) 13.609 12.004 ( 0.233 14.674 -5.796) 15.779 13.724 ( 1.241 -34.417 4.735) 34.763 13.873 ( -2.837 -31.399 -4.769) 31.886 14.397 ( 3.962 9.059 2.086) 10.105 14.459 ( 4.045 7.983 -2.323) 9.246 15.144 ( 2.255 -14.156 -1.386) 14.401 15.213 ( 6.185 -13.383 1.037) 14.779 16.033 ( -5.448 7.810 -2.542) 9.855 16.138 ( 0.645 4.978 0.005) 5.019 16.258 ( 0.277 3.367 1.061) 3.541 16.293 ( 0.301 2.165 -0.085) 2.188 16.941 ( 1.089 13.214 7.210) 15.092 17.282 ( 0.109 9.458 -7.254) 11.920 17.590 ( -2.554 -0.986 4.491) 5.260 17.810 ( 1.983 -0.954 -0.171) 2.207 25.510 ( 2.646 14.023 2.365) 14.465 25.625 ( -1.427 18.067 -1.868) 18.220 25.659 ( 3.624 6.931 0.978) 7.882 25.779 ( 3.813 8.729 -1.028) 9.581 26.496 ( -1.042 5.652 -0.895) 5.817 26.502 ( 0.911 7.507 0.442) 7.575 28.080 ( 8.944 -29.563 6.710) 31.607 28.179 ( -0.950 -30.580 -7.329) 31.461 30.219 ( 1.183 12.846 6.652) 14.514 30.389 ( -5.707 11.604 -7.429) 14.913 30.945 ( -0.418 -8.023 11.232) 13.810 31.144 ( -7.686 -10.522 -2.510) 13.269 33.027 ( 3.199 4.357 3.638) 6.516 33.087 ( -1.452 5.482 -0.034) 5.671 33.105 ( -1.318 6.047 -5.649) 8.379 33.176 ( 3.551 6.602 0.785) 7.537 33.470 ( -2.960 -1.128 5.896) 6.693 33.796 ( 0.036 -3.924 -1.797) 4.316 33.998 ( 6.157 -10.652 5.610) 13.522 34.208 ( -4.679 -15.806 -13.526) 21.323 42.571 ( 0.109 10.037 1.526) 10.153 42.668 ( 0.760 11.365 -1.395) 11.476 43.215 ( -0.799 -7.629 2.546) 8.083 43.362 ( 0.394 -8.217 -1.310) 8.330 51.889 ( 5.856 47.475 10.614) 48.999 52.284 ( 0.245 59.474 -10.549) 60.403 55.300 ( 10.643 -45.385 39.841) 61.322 57.180 ( 6.641 -77.598 -41.947) 88.460 ======================= Grid point 104 (52/104) ======================= q-point: (-0.30 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( -6.231 11.468 -1.839) 13.180 1.976 ( -15.104 20.105 -4.197) 25.494 2.054 ( 1.865 5.463 5.798) 8.181 2.411 ( -2.657 6.458 4.828) 8.490 2.540 ( -2.254 1.563 4.159) 4.982 2.616 ( 6.672 5.296 -0.381) 8.527 2.753 ( 8.418 -14.011 0.183) 16.346 2.873 ( 1.532 -2.979 1.179) 3.551 2.890 ( 5.954 -4.410 5.628) 9.304 3.344 ( 6.667 9.300 0.258) 11.445 3.356 ( 7.552 1.524 4.035) 8.697 3.520 ( 1.834 6.303 2.731) 7.109 3.638 ( -12.223 22.480 -4.784) 26.031 3.938 ( 8.587 20.209 -2.543) 22.105 3.971 ( 5.136 17.976 -0.289) 18.698 4.102 ( 10.634 11.191 -2.591) 15.654 4.152 ( -1.597 16.126 -4.754) 16.887 4.212 ( 0.776 3.126 7.883) 8.515 4.386 ( 3.225 5.944 2.437) 7.188 4.485 ( 0.541 2.431 -9.273) 9.601 4.542 ( 4.897 3.668 6.343) 8.813 4.809 ( -1.648 -2.272 -2.351) 3.661 4.877 ( -6.071 -8.369 3.391) 10.881 4.943 ( 1.809 -2.618 -1.106) 3.369 5.116 ( 5.932 -8.698 -9.465) 14.157 5.233 ( 0.620 -1.419 -4.494) 4.753 5.290 ( -3.400 8.722 -2.625) 9.722 5.366 ( 6.041 3.143 -2.102) 7.127 5.553 ( -0.387 7.556 0.884) 7.618 5.598 ( 2.734 3.110 -2.070) 4.629 5.788 ( 0.903 4.200 -1.267) 4.479 5.950 ( 6.621 -7.226 -2.046) 10.012 6.228 ( 0.963 -4.611 3.339) 5.774 6.456 ( 1.527 -0.958 -1.258) 2.198 6.548 ( -3.113 -17.216 3.952) 17.936 6.670 ( 0.380 -16.914 0.479) 16.925 6.715 ( -0.613 -5.219 -0.760) 5.309 6.880 ( -1.963 -11.119 -2.648) 11.598 6.983 ( -0.746 -7.032 4.163) 8.206 7.168 ( -2.688 -5.565 -3.441) 7.074 7.496 ( -3.895 0.468 0.488) 3.953 7.615 ( -2.963 -1.590 1.059) 3.525 7.653 ( -3.243 0.031 2.603) 4.158 7.858 ( -3.559 -1.493 1.382) 4.100 8.469 ( -5.335 5.768 3.382) 8.554 8.625 ( -10.472 6.354 -3.025) 12.617 8.785 ( -2.467 7.905 0.705) 8.311 8.979 ( 9.530 -0.302 -1.354) 9.631 11.553 ( 0.724 2.912 0.393) 3.027 11.560 ( 0.023 3.459 -0.137) 3.461 11.657 ( 2.948 0.072 -0.079) 2.950 11.697 ( 1.505 0.071 -0.259) 1.529 11.934 ( 1.914 14.983 -2.318) 15.281 12.003 ( 5.712 16.644 2.390) 17.759 13.718 ( -3.339 -26.814 -2.127) 27.105 13.829 ( -0.092 -27.006 1.446) 27.045 14.478 ( 3.492 13.821 -1.460) 14.330 14.594 ( 11.865 3.220 1.440) 12.379 15.214 ( 6.688 -12.623 -1.127) 14.330 15.359 ( 8.196 -12.833 1.087) 15.265 15.912 ( -5.810 6.828 -0.389) 8.974 16.151 ( -0.211 5.107 2.096) 5.524 16.257 ( -0.655 1.167 -0.944) 1.637 16.311 ( 0.658 2.115 1.921) 2.932 17.028 ( 1.728 10.689 6.249) 12.501 17.195 ( -1.990 11.301 -8.345) 14.188 17.580 ( -2.143 -1.186 3.250) 4.070 17.842 ( 1.576 -1.136 -0.411) 1.986 25.567 ( 1.402 12.913 -0.235) 12.991 25.618 ( 2.314 14.061 -0.656) 14.265 25.722 ( 3.070 8.509 -1.664) 9.198 25.906 ( 9.621 9.994 2.974) 14.188 26.456 ( -1.901 4.593 -1.126) 5.097 26.574 ( 6.845 17.806 2.367) 19.223 28.089 ( 0.384 -29.458 -7.455) 30.390 28.384 ( 14.303 -25.799 8.407) 30.673 30.145 ( -8.609 14.367 -4.559) 17.359 30.360 ( 1.165 8.354 7.128) 11.044 30.943 ( -8.823 -8.610 -1.554) 12.425 31.042 ( -3.337 -9.304 11.463) 15.136 32.979 ( -3.284 5.266 -6.633) 9.084 33.070 ( 0.148 4.931 0.412) 4.950 33.104 ( 0.769 4.579 -0.234) 4.649 33.295 ( 5.075 2.623 3.297) 6.596 33.477 ( -1.099 3.385 5.947) 6.931 33.778 ( -0.390 -5.330 -1.374) 5.518 33.940 ( -8.835 -15.630 -18.397) 25.706 34.167 ( 5.743 -11.229 6.173) 14.042 42.588 ( 0.241 10.064 1.468) 10.174 42.680 ( 2.066 11.759 -1.121) 11.992 43.221 ( -0.969 -7.280 2.389) 7.723 43.357 ( 0.262 -8.112 -1.104) 8.191 52.096 ( 6.223 54.912 6.711) 55.669 52.251 ( 6.457 56.835 -5.565) 57.470 55.915 ( 14.345 -50.575 41.791) 67.157 56.815 ( 1.326 -76.900 -59.602) 97.303 ======================= Grid point 105 (53/104) ======================= q-point: (-0.20 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -3.042 22.406 6.806) 23.614 1.651 ( -12.662 26.962 -5.078) 30.217 2.095 ( -2.348 8.109 1.861) 8.645 2.335 ( -9.380 5.886 0.229) 11.076 2.540 ( -3.473 10.989 6.856) 13.410 2.715 ( 8.359 7.658 -8.507) 14.174 2.742 ( -7.550 -5.110 -2.559) 9.469 2.896 ( 5.040 -13.126 2.474) 14.277 3.061 ( 1.189 2.291 1.184) 2.839 3.255 ( -9.018 14.151 -0.841) 16.802 3.451 ( 4.170 3.666 -1.412) 5.729 3.519 ( 0.220 8.927 3.674) 9.656 3.654 ( 5.342 -3.009 2.606) 6.662 3.939 ( -4.328 9.015 -4.457) 10.949 4.061 ( 3.477 15.478 -3.913) 16.339 4.194 ( 5.141 11.998 0.679) 13.071 4.273 ( 6.858 6.621 -2.633) 9.889 4.317 ( 13.617 18.563 -0.067) 23.022 4.429 ( 0.833 -0.573 -3.911) 4.039 4.528 ( 2.808 -0.174 6.580) 7.157 4.663 ( -0.455 -3.668 9.122) 9.842 4.754 ( -3.798 0.544 2.231) 4.438 4.889 ( 6.365 -7.252 3.413) 10.235 4.970 ( 0.734 -3.008 0.568) 3.148 5.062 ( -0.125 1.637 -7.191) 7.376 5.181 ( -5.171 3.571 -1.988) 6.591 5.254 ( 4.407 5.088 -6.327) 9.238 5.491 ( 7.672 0.072 -0.180) 7.674 5.516 ( -2.083 4.035 -1.896) 4.921 5.624 ( 3.483 -2.442 -4.562) 6.237 5.783 ( 0.282 2.956 -2.174) 3.680 6.052 ( 6.069 -9.240 -0.998) 11.100 6.289 ( 1.877 -5.306 2.972) 6.365 6.479 ( 1.216 -2.738 -0.871) 3.120 6.540 ( -1.510 -16.039 5.381) 16.985 6.679 ( 1.794 -10.581 -3.905) 11.420 6.721 ( 1.054 -10.108 1.342) 10.251 6.839 ( -0.191 -10.930 -1.119) 10.989 7.008 ( -1.042 -6.532 3.649) 7.554 7.056 ( -5.758 -5.665 -2.601) 8.486 7.416 ( -5.552 1.684 1.911) 6.109 7.548 ( -5.342 0.840 1.066) 5.511 7.632 ( -1.676 -1.625 0.754) 2.453 7.753 ( -8.994 -2.344 1.164) 9.367 8.332 ( -8.726 11.391 -6.146) 15.610 8.522 ( -0.359 7.880 5.687) 9.724 8.760 ( 0.273 6.226 -1.547) 6.421 9.187 ( 13.147 -3.519 0.253) 13.612 11.570 ( 1.083 3.098 -0.061) 3.283 11.580 ( 1.875 3.418 0.076) 3.899 11.706 ( 2.638 -0.270 -0.303) 2.669 11.716 ( 0.719 -0.684 0.135) 1.001 11.916 ( 0.688 16.290 -3.177) 16.612 12.205 ( 10.114 20.104 5.748) 23.228 13.634 ( -2.368 -24.039 -2.912) 24.330 13.841 ( -0.553 -21.017 1.825) 21.103 14.523 ( 3.581 18.786 -2.274) 19.259 14.883 ( 16.930 3.769 2.650) 17.545 15.348 ( 7.303 -7.279 -0.106) 10.312 15.523 ( 8.607 -10.682 0.823) 13.743 15.839 ( -1.582 1.607 1.059) 2.491 16.164 ( -1.426 4.671 3.100) 5.784 16.220 ( -2.317 -1.372 -1.119) 2.916 16.334 ( -0.818 2.074 2.012) 3.003 17.055 ( -4.240 13.663 -9.135) 16.973 17.118 ( 2.607 8.675 4.719) 10.214 17.575 ( -1.227 -1.551 2.350) 3.072 17.852 ( 0.679 -2.887 -2.273) 3.736 25.587 ( 1.826 12.409 -0.380) 12.549 25.655 ( 2.331 10.240 -1.869) 10.667 25.751 ( 1.788 11.607 -1.209) 11.806 26.129 ( 8.963 -0.416 2.798) 9.398 26.412 ( -1.762 4.259 -0.649) 4.654 26.909 ( 29.957 37.519 4.384) 48.211 28.052 ( 1.685 -27.166 -4.488) 27.586 28.733 ( 15.137 -18.469 6.125) 24.653 29.952 ( -8.119 16.017 -2.307) 18.105 30.426 ( -1.817 1.036 6.450) 6.780 30.758 ( -9.092 -7.550 -2.383) 12.056 31.053 ( -8.383 -12.557 10.168) 18.203 32.873 ( -2.178 2.896 -4.321) 5.640 33.056 ( -1.431 3.245 -2.377) 4.269 33.109 ( -0.151 3.636 -0.447) 3.666 33.351 ( -1.627 -3.041 1.852) 3.914 33.521 ( -9.020 -4.290 -16.561) 19.340 33.576 ( 1.940 5.358 -2.434) 6.197 33.781 ( -1.785 -7.594 4.317) 8.916 34.305 ( 3.607 -11.037 4.633) 12.501 42.605 ( 0.221 10.128 1.249) 10.207 42.729 ( 4.491 11.456 -1.208) 12.364 43.222 ( -1.198 -6.852 1.993) 7.236 43.349 ( -0.298 -8.062 -1.007) 8.130 52.287 ( 14.152 57.636 3.245) 59.437 52.417 ( 11.322 56.648 1.326) 57.783 56.040 ( -19.500 -63.671 -72.271) 98.272 56.528 ( 10.797 -56.274 34.115) 66.687 ======================= Grid point 106 (54/104) ======================= q-point: (-0.10 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -8.733 26.152 0.050) 27.571 1.597 ( -3.103 30.927 10.201) 32.714 1.981 ( -6.553 12.178 -3.383) 14.237 2.178 ( -7.545 7.729 2.407) 11.066 2.387 ( -8.839 17.045 1.287) 19.243 2.768 ( 2.511 2.793 2.995) 4.804 2.783 ( 8.160 4.784 -8.531) 12.738 2.921 ( -5.462 5.535 -4.152) 8.816 2.981 ( 0.388 -5.483 3.142) 6.332 3.209 ( -0.570 4.543 0.840) 4.655 3.447 ( -1.196 -4.469 -6.353) 7.859 3.588 ( 1.983 -3.079 3.350) 4.963 3.733 ( 0.860 -7.345 0.767) 7.435 3.801 ( -2.672 10.470 -6.791) 12.762 4.047 ( 1.615 9.313 -3.206) 9.981 4.285 ( 4.390 5.428 -4.798) 8.471 4.371 ( 4.329 9.489 -0.781) 10.459 4.455 ( -0.992 0.124 7.386) 7.454 4.508 ( 0.310 -0.305 -4.632) 4.653 4.533 ( 5.940 17.023 1.200) 18.069 4.690 ( -4.779 1.765 1.805) 5.405 4.804 ( 1.587 0.898 11.209) 11.356 4.969 ( 1.534 -2.016 -1.311) 2.852 5.020 ( 1.905 1.804 -0.646) 2.702 5.066 ( 0.661 2.989 3.912) 4.967 5.133 ( 2.480 -5.350 3.297) 6.756 5.237 ( -0.546 14.759 -4.151) 15.341 5.511 ( 4.063 0.317 -2.164) 4.614 5.602 ( 3.230 1.330 0.712) 3.565 5.662 ( 7.040 -5.826 -5.805) 10.826 5.769 ( 0.916 1.581 -2.326) 2.958 6.150 ( 4.206 -9.083 0.774) 10.040 6.345 ( 2.030 -5.997 1.877) 6.603 6.463 ( -2.722 -11.819 -0.344) 12.134 6.593 ( 1.724 -7.887 3.872) 8.954 6.654 ( 0.388 -13.117 -6.260) 14.539 6.755 ( 0.483 -11.443 0.855) 11.485 6.844 ( 0.514 -9.294 2.107) 9.543 6.938 ( -3.996 -7.246 1.512) 8.412 7.040 ( 0.886 -2.881 3.272) 4.448 7.320 ( -8.181 -0.014 4.092) 9.147 7.433 ( -8.928 -1.792 1.497) 9.228 7.556 ( -6.798 -1.828 -0.263) 7.044 7.632 ( -0.647 -0.442 -3.679) 3.761 8.171 ( -3.103 14.038 -2.266) 14.554 8.572 ( 1.130 9.655 -1.849) 9.895 8.794 ( 3.217 6.818 4.288) 8.674 9.415 ( 9.952 -10.720 -0.815) 14.650 11.590 ( 0.874 2.170 0.238) 2.352 11.616 ( 2.027 3.355 -0.467) 3.947 11.727 ( 0.072 -1.217 0.589) 1.354 11.747 ( 1.978 -0.495 -0.318) 2.063 11.918 ( 1.204 16.950 0.048) 16.992 12.416 ( 6.907 21.361 1.007) 22.472 13.599 ( 0.301 -23.690 0.158) 23.692 13.841 ( -0.465 -18.583 0.319) 18.591 14.578 ( 3.735 25.676 0.154) 25.947 15.233 ( 17.854 2.426 0.837) 18.037 15.422 ( -0.194 0.375 0.775) 0.882 15.692 ( 9.246 -6.840 -0.793) 11.528 15.893 ( 6.080 -6.224 0.467) 8.714 16.116 ( -5.541 1.814 -1.924) 6.140 16.146 ( -5.473 -1.063 -2.720) 6.203 16.282 ( -5.266 3.217 -0.953) 6.244 16.924 ( -1.059 15.070 -3.622) 15.535 17.202 ( 2.102 7.495 2.727) 8.248 17.573 ( -1.087 -2.221 1.410) 2.846 17.817 ( -0.194 -5.957 -6.545) 8.852 25.623 ( 1.425 7.157 0.251) 7.302 25.679 ( 2.367 11.392 -1.375) 11.716 25.775 ( 1.279 17.534 1.500) 17.644 26.248 ( 2.765 -6.108 0.869) 6.760 26.387 ( -0.699 4.601 0.353) 4.667 27.718 ( 51.938 31.846 -10.063) 61.750 28.073 ( 4.164 -20.615 -2.949) 21.237 28.993 ( 8.688 -10.566 -0.629) 13.694 29.822 ( -4.627 17.155 -0.313) 17.771 30.326 ( -21.225 -7.083 -3.084) 22.587 30.526 ( -11.963 -6.032 -0.360) 13.403 30.850 ( -11.539 -12.851 -7.616) 18.876 32.843 ( 0.441 0.911 1.351) 1.688 32.929 ( -3.749 -1.382 -1.081) 4.139 33.095 ( -0.464 4.547 -0.369) 4.586 33.251 ( -0.627 7.150 -3.450) 7.964 33.353 ( -2.959 -1.714 1.721) 3.828 33.651 ( 2.640 8.422 -1.055) 8.889 33.813 ( -0.635 -9.473 8.151) 12.513 34.376 ( 0.646 -10.913 2.072) 11.127 42.616 ( -0.155 10.170 0.856) 10.207 42.810 ( 5.641 9.066 -3.728) 11.309 43.214 ( -1.300 -6.435 1.439) 6.721 43.321 ( -1.530 -7.274 -1.463) 7.576 52.491 ( 1.405 60.305 3.105) 60.401 52.877 ( 36.738 42.182 -10.264) 56.872 55.000 ( -19.090 -27.254 -32.789) 46.715 56.865 ( -3.480 -59.697 19.578) 62.922 ======================= Grid point 107 (55/104) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.610 21.301 -2.853) 21.500 2.076 ( -4.306 9.470 -4.988) 11.537 2.162 ( 1.000 7.542 -2.179) 7.914 2.247 ( -3.998 5.358 -0.425) 6.698 2.362 ( 1.055 4.714 1.957) 5.212 2.667 ( -4.112 -14.089 2.455) 14.881 2.827 ( 1.808 1.619 -12.551) 12.783 2.901 ( -0.342 2.662 0.439) 2.719 3.056 ( -3.123 -12.083 1.091) 12.528 3.149 ( -0.335 -9.515 5.269) 10.881 3.336 ( 4.604 7.174 -11.070) 13.971 3.492 ( 2.724 -6.385 -8.187) 10.733 3.736 ( 1.850 20.104 2.997) 20.410 3.964 ( -2.704 9.654 -4.342) 10.926 4.145 ( -4.512 -12.701 -3.474) 13.919 4.155 ( -0.703 -8.522 -3.498) 9.239 4.343 ( 2.804 12.928 1.243) 13.286 4.529 ( -1.466 2.608 8.890) 9.380 4.645 ( 0.940 -1.621 7.965) 8.182 4.673 ( 0.075 -13.523 6.917) 15.190 4.901 ( 2.807 4.909 6.956) 8.965 4.940 ( -3.951 2.290 3.177) 5.563 5.131 ( 5.090 16.723 -3.377) 17.804 5.209 ( 3.918 21.663 0.977) 22.036 5.319 ( -1.427 14.167 2.908) 14.532 5.366 ( -6.371 14.376 0.774) 15.743 5.496 ( 6.124 3.862 -0.538) 7.260 5.595 ( 7.148 -6.995 0.932) 10.045 5.635 ( -0.548 8.575 -2.803) 9.038 5.694 ( 2.710 -4.341 1.923) 5.467 5.799 ( -2.000 1.130 -5.123) 5.615 5.958 ( -4.236 -13.479 -5.527) 15.171 5.989 ( 1.899 -13.691 2.095) 13.980 6.095 ( -1.967 -13.861 1.230) 14.054 6.244 ( -0.825 -17.328 -4.106) 17.827 6.276 ( 2.060 -18.474 -2.553) 18.763 6.733 ( -1.583 6.367 2.355) 6.971 6.836 ( 1.839 -2.454 5.897) 6.647 6.927 ( 0.387 2.544 2.650) 3.694 7.033 ( 0.353 -6.359 0.805) 6.419 7.181 ( -5.407 0.768 4.123) 6.843 7.214 ( -3.820 -2.482 2.131) 5.029 7.517 ( 0.900 2.551 -3.446) 4.380 7.574 ( 2.037 -2.654 -4.470) 5.584 8.467 ( 1.505 12.774 -0.389) 12.868 8.641 ( -0.444 -1.113 -6.001) 6.120 9.002 ( 0.372 5.781 7.476) 9.458 9.219 ( 0.225 -12.887 0.730) 12.909 11.645 ( -0.375 2.409 0.528) 2.495 11.689 ( 0.244 1.693 -0.344) 1.745 11.694 ( -0.279 -1.464 0.476) 1.565 11.735 ( 0.274 -1.911 -0.280) 1.951 12.465 ( 2.186 26.865 3.366) 27.163 12.833 ( -4.295 13.174 -6.899) 15.479 13.139 ( 3.332 -17.947 6.454) 19.362 13.400 ( -0.747 -21.868 -1.513) 21.933 15.215 ( 3.594 19.523 4.572) 20.371 15.417 ( 0.276 -1.549 1.926) 2.486 15.502 ( -2.144 7.660 -1.059) 8.025 15.667 ( -1.013 -7.406 -1.086) 7.554 15.834 ( -1.048 -2.955 -1.191) 3.354 15.920 ( 2.504 -9.429 1.269) 9.838 16.048 ( -3.759 7.088 -8.713) 11.844 16.166 ( -3.878 -3.867 -3.835) 6.686 17.250 ( 2.694 12.232 1.054) 12.569 17.383 ( -2.792 8.525 -1.787) 9.147 17.461 ( 0.512 -6.234 0.301) 6.262 17.586 ( 1.927 -9.382 -3.947) 10.359 25.791 ( 0.721 7.592 0.450) 7.639 25.866 ( -0.086 5.787 -1.956) 6.109 25.982 ( 1.076 -1.693 3.326) 3.884 26.099 ( -0.731 -8.547 -0.299) 8.583 26.887 ( 2.205 32.523 9.139) 33.855 27.549 ( 2.197 -29.321 8.877) 30.714 28.454 ( -7.464 16.269 -30.813) 35.635 28.735 ( -7.310 -11.303 -17.825) 22.336 30.040 ( -1.848 11.184 0.548) 11.349 30.141 ( 0.447 14.943 -2.522) 15.161 30.267 ( 0.801 -9.356 1.685) 9.540 30.453 ( 1.153 -13.476 -4.032) 14.113 32.944 ( 4.190 2.642 7.391) 8.898 33.012 ( 6.901 -3.807 9.857) 12.620 33.180 ( -0.817 4.248 -0.834) 4.406 33.257 ( -1.640 -3.133 -0.487) 3.570 33.458 ( 1.755 9.291 3.116) 9.956 33.670 ( 1.102 -10.923 7.271) 13.167 33.843 ( -2.077 11.673 -4.070) 12.536 34.105 ( -2.327 -12.907 -2.695) 13.389 42.837 ( -0.854 10.586 0.773) 10.649 42.990 ( 0.371 7.521 -3.312) 8.227 43.045 ( -0.740 -8.420 0.867) 8.497 43.153 ( 0.692 -7.315 -1.682) 7.538 53.754 ( 2.946 50.051 -5.756) 50.467 53.877 ( -5.222 64.368 -4.350) 64.726 54.700 ( 29.669 -44.394 17.460) 56.178 55.351 ( -15.504 -69.411 -3.273) 71.196 ======================= Grid point 108 (56/104) ======================= q-point: ( 0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 7.829 17.274 1.721) 19.043 2.054 ( 3.275 9.579 3.180) 10.611 2.104 ( -2.105 9.617 -9.982) 14.020 2.251 ( 2.376 -1.815 0.205) 2.997 2.353 ( -2.750 -1.353 -0.424) 3.094 2.584 ( -6.789 -10.309 2.162) 12.532 2.776 ( 6.609 5.791 -11.941) 14.826 2.901 ( 0.705 1.464 -0.634) 1.744 2.994 ( -4.210 -4.772 -2.002) 6.671 3.191 ( 0.441 -12.499 1.915) 12.653 3.337 ( 3.007 3.354 -4.780) 6.568 3.476 ( 4.464 -7.510 -6.422) 10.843 3.829 ( 3.568 13.353 0.004) 13.822 3.922 ( 2.834 9.250 -0.919) 9.718 3.998 ( -4.466 -6.700 -5.024) 9.491 4.188 ( 3.660 -10.148 -0.490) 10.799 4.453 ( 5.572 16.585 4.535) 18.075 4.528 ( -4.739 8.663 4.115) 10.697 4.720 ( -0.845 -4.442 6.408) 7.843 4.772 ( 2.778 -13.027 4.595) 14.090 4.870 ( -2.835 14.591 -1.252) 14.917 4.976 ( -3.649 6.746 5.576) 9.483 5.099 ( -5.389 20.433 2.164) 21.242 5.175 ( -7.918 13.295 6.104) 16.635 5.305 ( 0.544 7.515 0.135) 7.536 5.382 ( 1.936 11.306 5.016) 12.519 5.525 ( -2.965 -6.004 -1.096) 6.785 5.582 ( -3.034 7.748 -0.957) 8.376 5.678 ( 0.103 -2.733 -0.395) 2.763 5.718 ( 1.085 -5.559 -7.298) 9.238 5.765 ( 2.952 -1.338 3.220) 4.568 5.842 ( 0.323 -3.323 -8.668) 9.289 6.012 ( -3.000 -8.534 0.377) 9.054 6.093 ( 2.131 -16.961 2.301) 17.248 6.201 ( -0.412 -18.276 -2.965) 18.520 6.289 ( 1.460 -17.364 -2.853) 17.658 6.689 ( -4.732 6.164 2.520) 8.169 6.856 ( -6.039 -8.195 2.629) 10.514 6.945 ( 0.991 3.795 1.692) 4.272 7.035 ( 1.617 -4.084 4.441) 6.246 7.250 ( 5.064 0.467 0.718) 5.135 7.268 ( 5.707 -1.291 1.850) 6.137 7.549 ( 5.849 2.619 -2.665) 6.941 7.609 ( 5.558 -2.922 -3.002) 6.960 8.503 ( 2.392 8.081 -0.642) 8.452 8.563 ( -1.582 3.821 -5.492) 6.875 9.020 ( -5.060 2.902 6.185) 8.502 9.173 ( -5.268 -10.689 0.933) 11.953 11.637 ( -0.921 2.633 0.241) 2.800 11.680 ( -0.977 2.122 -0.197) 2.344 11.688 ( -0.781 -1.908 0.351) 2.092 11.726 ( -0.989 -1.943 -0.094) 2.183 12.532 ( -0.459 24.150 3.846) 24.458 12.676 ( -4.946 19.622 -4.623) 20.757 13.218 ( -0.932 -19.765 3.930) 20.173 13.348 ( -2.404 -23.215 -1.644) 23.397 15.166 ( -12.842 16.825 1.543) 21.222 15.272 ( -15.336 8.560 0.430) 17.568 15.402 ( -6.691 -3.368 1.302) 7.604 15.472 ( -14.363 -11.859 -1.379) 18.677 15.860 ( 6.649 7.734 1.751) 10.349 16.020 ( 6.357 6.356 -6.663) 11.190 16.076 ( 8.415 -9.843 3.329) 13.371 16.140 ( 4.419 -4.434 -4.535) 7.730 17.247 ( -3.925 8.145 -2.027) 9.266 17.353 ( 0.639 2.061 1.057) 2.403 17.473 ( 2.396 3.127 -1.765) 4.317 17.631 ( 5.015 -7.685 -2.745) 9.579 25.799 ( -0.684 7.103 0.529) 7.155 25.827 ( -1.964 5.998 -2.084) 6.646 26.016 ( -1.071 -3.621 2.876) 4.747 26.064 ( -2.095 -6.691 -0.453) 7.026 27.020 ( -0.572 33.708 14.870) 36.847 27.594 ( -11.383 -3.407 -1.941) 12.039 27.873 ( -14.841 2.850 -9.892) 18.062 28.279 ( -19.207 -20.031 -19.833) 34.110 30.112 ( 7.106 11.265 -1.254) 13.378 30.213 ( 8.068 6.824 -0.323) 10.572 30.377 ( 8.247 -4.844 -2.680) 9.933 30.497 ( 6.558 -10.536 -3.187) 12.812 33.095 ( 4.121 5.213 5.351) 8.532 33.148 ( -0.965 3.357 -2.298) 4.181 33.210 ( 2.262 -3.841 3.528) 5.684 33.216 ( 1.206 -3.314 0.582) 3.574 33.558 ( 4.501 8.846 5.588) 11.391 33.725 ( -4.888 11.938 -6.247) 14.333 33.802 ( 3.571 -13.809 11.286) 18.189 33.999 ( -4.900 -13.506 -5.183) 15.274 42.824 ( -1.224 10.536 0.732) 10.632 42.958 ( -0.541 8.601 -2.420) 8.952 43.037 ( -0.847 -7.741 0.468) 7.802 43.155 ( 0.966 -8.333 -1.513) 8.525 53.544 ( -15.685 64.356 -8.934) 66.839 53.907 ( 6.099 67.344 4.126) 67.746 54.878 ( -24.246 -59.269 -15.523) 65.891 55.443 ( 26.387 -78.287 19.443) 84.871 ======================= Grid point 109 (57/104) ======================= q-point: ( 0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( -1.968 9.523 -7.352) 12.191 2.102 ( 6.235 17.183 7.452) 19.740 2.168 ( 1.778 -5.714 -3.698) 7.035 2.201 ( -2.239 6.606 1.863) 7.219 2.376 ( 5.229 -7.023 6.689) 11.019 2.492 ( -5.991 -9.959 4.081) 12.318 2.713 ( -11.342 3.756 -11.200) 16.377 2.752 ( -6.775 -0.195 -5.991) 9.046 2.999 ( 3.744 5.792 1.077) 6.980 3.224 ( 2.944 -7.934 -0.389) 8.471 3.382 ( 5.520 4.389 -1.219) 7.157 3.560 ( 6.332 -6.367 -1.915) 9.182 3.849 ( 3.867 -0.008 -5.823) 6.990 3.891 ( -2.573 -2.792 -3.355) 5.067 4.046 ( 6.826 12.154 3.400) 14.349 4.264 ( 2.981 -5.649 1.714) 6.613 4.448 ( -5.954 10.061 0.681) 11.710 4.513 ( -5.223 14.109 0.314) 15.048 4.677 ( -7.797 -10.876 1.966) 13.526 4.784 ( -2.137 -5.810 -1.755) 6.434 4.863 ( 4.232 23.963 -4.555) 24.756 4.945 ( -0.092 18.626 8.141) 20.328 5.084 ( -8.034 10.699 9.614) 16.476 5.121 ( -0.276 6.100 7.749) 9.866 5.328 ( 0.728 0.196 0.689) 1.022 5.406 ( -5.191 1.611 4.631) 7.140 5.456 ( -2.404 -12.069 -0.077) 12.306 5.505 ( -2.344 12.602 -2.311) 13.025 5.628 ( -1.945 1.666 -4.711) 5.362 5.697 ( 3.895 -1.061 -7.667) 8.665 5.788 ( 0.732 2.429 -6.294) 6.786 5.864 ( 2.779 1.040 0.098) 2.969 5.956 ( 0.736 -9.704 -0.376) 9.739 6.162 ( 1.142 -19.691 0.201) 19.725 6.172 ( -0.311 -9.640 0.541) 9.660 6.276 ( 0.366 -18.230 -2.062) 18.350 6.631 ( -3.939 0.970 2.336) 4.681 6.753 ( -5.988 -7.915 1.323) 10.012 6.981 ( 1.750 5.823 -0.488) 6.100 7.107 ( 2.153 -5.577 1.918) 6.278 7.346 ( 4.101 0.604 1.740) 4.496 7.369 ( 3.246 -1.736 1.576) 4.005 7.662 ( 6.692 2.562 -0.619) 7.192 7.716 ( 7.620 -2.753 -0.754) 8.137 8.466 ( -1.205 8.795 -3.963) 9.721 8.575 ( 3.868 -0.358 -1.601) 4.201 8.963 ( -4.137 3.984 2.765) 6.375 9.081 ( -5.197 -7.767 1.733) 9.505 11.619 ( -1.020 2.874 -0.076) 3.051 11.655 ( -1.471 2.449 0.064) 2.857 11.671 ( -1.201 -2.028 0.085) 2.358 11.701 ( -1.535 -1.813 0.054) 2.377 12.430 ( -7.314 26.575 -3.479) 27.782 12.659 ( -0.775 20.853 5.308) 21.532 13.135 ( -7.072 -23.142 -3.545) 24.457 13.326 ( -1.351 -26.354 2.469) 26.504 14.890 ( -13.003 15.174 -2.024) 20.085 15.027 ( -12.852 9.539 1.510) 16.077 15.200 ( -13.546 -13.248 1.477) 19.005 15.239 ( -10.798 -9.978 -0.303) 14.706 16.061 ( 8.860 9.823 4.003) 13.820 16.090 ( 5.803 6.241 -1.910) 8.733 16.185 ( 4.148 -3.602 -2.871) 6.198 16.250 ( 5.130 -5.916 4.373) 8.969 17.157 ( -2.792 10.656 -2.343) 11.262 17.347 ( -0.968 -7.164 0.250) 7.233 17.531 ( 4.107 8.448 -1.031) 9.450 17.685 ( 3.289 -5.806 -2.718) 7.205 25.758 ( -2.901 5.208 -1.607) 6.174 25.775 ( -2.396 5.078 -0.617) 5.649 25.974 ( -3.218 -0.026 -0.583) 3.270 26.044 ( -1.688 -5.230 1.858) 5.801 27.096 ( -7.772 33.610 8.458) 35.518 27.149 ( -13.823 30.668 -6.696) 34.299 27.773 ( -16.219 -26.804 -12.334) 33.670 27.842 ( -5.860 -30.315 11.992) 33.124 30.233 ( 6.463 10.553 -2.518) 12.629 30.399 ( 9.399 1.435 4.292) 10.432 30.481 ( 7.746 -1.060 -4.764) 9.155 30.631 ( 9.827 -8.713 -0.827) 13.160 33.095 ( -1.321 2.956 -4.164) 5.275 33.137 ( -0.750 0.176 -2.945) 3.044 33.209 ( 2.002 3.457 0.383) 4.013 33.305 ( 1.105 -3.241 3.042) 4.580 33.571 ( -4.785 12.656 -5.379) 14.561 33.702 ( 4.682 8.997 5.200) 11.398 33.851 ( -5.253 -13.561 -5.299) 15.478 33.974 ( 3.696 -15.807 9.338) 18.727 42.808 ( -1.369 10.655 0.944) 10.784 42.935 ( -0.129 10.193 -1.214) 10.266 43.024 ( -0.999 -8.328 0.550) 8.406 43.159 ( 0.853 -9.570 -1.275) 9.693 53.148 ( -16.426 55.209 -9.442) 58.370 54.025 ( -0.441 64.068 3.391) 64.159 54.299 ( -18.780 -31.744 -15.211) 39.896 55.907 ( 8.884 -93.271 10.035) 94.229 ======================= Grid point 110 (58/104) ======================= q-point: ( 0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.882 ( -1.285 4.505 -0.810) 4.754 1.999 ( -8.759 -4.780 -4.502) 10.947 2.151 ( -6.261 13.092 10.582) 17.961 2.331 ( -7.816 5.151 -7.184) 11.799 2.420 ( 6.660 4.245 2.733) 8.357 2.442 ( -5.167 -6.978 4.147) 9.622 2.496 ( -13.324 -7.127 -4.141) 15.667 2.598 ( 4.840 -6.045 11.300) 13.699 3.066 ( 2.718 7.907 -0.124) 8.362 3.243 ( -1.230 -4.849 -0.130) 5.005 3.459 ( 2.317 8.471 -4.984) 10.098 3.589 ( -1.396 -1.632 -1.302) 2.512 3.812 ( 1.335 6.504 -3.005) 7.288 3.948 ( 6.076 -5.911 0.470) 8.490 4.182 ( 1.905 10.414 3.149) 11.046 4.258 ( -4.368 8.336 0.246) 9.415 4.266 ( -11.098 16.780 -1.154) 20.151 4.466 ( 1.099 -5.307 0.901) 5.494 4.555 ( -4.110 -8.229 0.087) 9.198 4.676 ( -5.422 -10.987 -2.818) 12.572 4.937 ( 4.155 25.345 -1.805) 25.746 4.986 ( -1.310 9.225 3.071) 9.811 5.075 ( -2.752 7.046 6.828) 10.191 5.246 ( 4.640 9.677 7.846) 13.294 5.308 ( -2.696 -0.949 -1.404) 3.184 5.340 ( -2.360 2.153 -2.015) 3.777 5.408 ( -0.922 -1.937 -1.379) 2.550 5.464 ( 0.103 4.550 -4.343) 6.291 5.561 ( 1.250 4.908 -8.016) 9.482 5.642 ( -1.487 0.861 -7.591) 7.783 5.774 ( 3.606 2.829 -4.272) 6.265 5.889 ( 1.783 9.774 -1.182) 10.005 6.033 ( 3.293 -15.694 3.043) 16.322 6.137 ( -1.188 -11.823 1.023) 11.927 6.199 ( 0.661 -11.980 1.178) 12.056 6.282 ( 0.447 -17.143 0.431) 17.154 6.582 ( -2.889 -3.151 0.646) 4.324 6.681 ( -4.050 -8.393 3.806) 10.066 7.002 ( 2.306 6.280 -2.731) 7.226 7.143 ( 1.639 -6.598 -1.448) 6.951 7.422 ( 1.467 -0.282 2.661) 3.051 7.437 ( 2.250 -1.439 3.726) 4.584 7.757 ( 4.002 3.674 -0.025) 5.433 7.837 ( 4.785 -3.828 -0.098) 6.129 8.457 ( 2.639 8.617 -0.319) 9.018 8.617 ( 2.038 -5.310 -1.111) 5.795 8.952 ( 1.260 5.067 0.250) 5.227 9.033 ( -1.003 -3.329 0.481) 3.510 11.601 ( -0.910 2.518 0.160) 2.682 11.633 ( -0.790 2.322 -0.075) 2.454 11.646 ( -1.685 -1.535 0.325) 2.302 11.674 ( -1.218 -1.427 -0.320) 1.903 12.281 ( -5.866 27.915 -1.613) 28.570 12.664 ( -3.664 24.744 3.675) 25.282 12.961 ( -6.620 -30.318 -3.868) 31.272 13.308 ( -2.656 -30.773 1.243) 30.912 14.693 ( -7.413 14.353 -0.370) 16.159 14.831 ( -9.267 9.311 0.256) 13.139 15.004 ( -9.271 -14.355 0.950) 17.115 15.051 ( -8.608 -10.959 0.045) 13.936 16.144 ( 4.042 4.722 -2.506) 6.702 16.225 ( 2.523 -2.425 -1.385) 3.763 16.244 ( 3.833 6.489 4.944) 9.013 16.336 ( 0.858 -1.715 2.551) 3.192 17.117 ( -0.385 13.223 0.127) 13.229 17.345 ( 0.368 -7.961 0.445) 7.981 17.583 ( 2.097 6.623 -0.362) 6.957 17.705 ( 1.639 -4.588 -2.492) 5.472 25.696 ( -2.224 4.344 -0.784) 4.943 25.717 ( -2.964 3.606 -0.543) 4.699 25.921 ( -1.744 4.932 -0.743) 5.284 26.019 ( -2.338 -3.435 0.831) 4.237 26.838 ( -7.534 25.198 -5.672) 26.905 27.096 ( -7.692 34.266 8.686) 36.177 27.428 ( -10.383 -29.179 -7.181) 31.793 27.823 ( -7.808 -33.251 8.944) 35.307 30.297 ( 3.332 11.131 -1.832) 11.763 30.510 ( 3.435 -9.271 -1.336) 9.977 30.664 ( 8.702 7.233 4.375) 12.132 30.826 ( 9.771 -8.147 2.384) 12.943 33.028 ( -1.064 3.831 -4.639) 6.110 33.098 ( 0.528 -2.200 -3.768) 4.395 33.238 ( 1.089 4.753 -0.312) 4.886 33.327 ( -0.445 -1.879 1.324) 2.341 33.471 ( -2.096 11.096 -2.086) 11.483 33.723 ( -3.757 -12.050 -2.992) 12.972 33.813 ( 2.946 8.937 2.165) 9.656 34.087 ( 1.729 -15.738 4.083) 16.351 42.793 ( -1.267 10.910 1.180) 11.047 42.928 ( 0.235 11.543 -0.892) 11.579 43.012 ( -1.044 -9.606 1.170) 9.734 43.162 ( 0.704 -10.385 -1.114) 10.468 52.822 ( -11.316 49.864 -3.884) 51.279 53.813 ( -10.440 -39.468 -6.856) 41.397 54.109 ( -3.589 79.388 0.201) 79.470 55.988 ( -2.941 -93.970 -0.744) 94.019 ======================= Grid point 111 (59/104) ======================= q-point: ( 0.40 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -8.225 7.824 0.853) 11.384 1.901 ( -2.646 -2.671 11.714) 12.302 2.124 ( -4.226 7.455 5.741) 10.315 2.204 ( -2.373 -2.492 -0.334) 3.457 2.256 ( -6.183 -5.879 -0.361) 8.539 2.347 ( -6.110 -9.744 1.083) 11.552 2.599 ( 3.408 6.509 6.133) 9.571 2.741 ( -0.526 -6.249 9.286) 11.205 3.091 ( -0.011 7.828 -0.337) 7.835 3.189 ( -3.863 0.425 0.090) 3.887 3.386 ( -1.582 7.156 -6.384) 9.719 3.497 ( -4.098 -2.733 -4.455) 6.642 3.887 ( 5.591 12.796 0.892) 13.992 4.038 ( -5.084 18.099 0.112) 18.800 4.056 ( 1.590 4.446 0.375) 4.737 4.171 ( -3.216 3.779 -1.002) 5.062 4.221 ( -1.519 1.789 -0.006) 2.347 4.454 ( -3.432 -10.822 -0.174) 11.355 4.550 ( 0.540 -3.892 2.722) 4.780 4.611 ( -0.381 -7.810 0.668) 7.847 4.876 ( -6.524 11.580 2.162) 13.467 5.057 ( -3.609 16.950 3.882) 17.760 5.084 ( 7.071 5.424 -4.378) 9.929 5.227 ( -1.690 7.195 -5.980) 9.507 5.235 ( -3.512 -1.026 -3.869) 5.325 5.306 ( -1.506 1.866 -4.537) 5.132 5.437 ( 1.481 3.538 -3.295) 5.057 5.481 ( 8.085 2.804 -5.100) 9.962 5.541 ( 5.628 11.065 -6.693) 14.104 5.567 ( -0.793 4.183 -3.623) 5.590 5.804 ( 2.006 4.628 -1.152) 5.174 5.916 ( 1.202 6.761 1.047) 6.947 6.101 ( 2.027 -15.383 2.415) 15.703 6.148 ( -1.075 -8.873 3.268) 9.516 6.215 ( -0.017 -15.189 0.204) 15.190 6.289 ( -0.267 -13.631 1.328) 13.698 6.553 ( -1.149 -2.764 1.964) 3.580 6.664 ( -2.738 -9.328 5.266) 11.056 7.021 ( 2.820 5.266 -3.240) 6.796 7.148 ( 1.379 -6.338 -2.969) 7.134 7.464 ( 0.072 0.211 3.242) 3.250 7.499 ( 0.666 -2.959 3.201) 4.410 7.812 ( 2.088 2.646 0.025) 3.371 7.877 ( 0.262 -3.204 -0.386) 3.238 8.542 ( 4.607 4.602 2.659) 7.034 8.638 ( 0.114 -3.682 1.557) 4.000 8.980 ( 1.619 4.999 -1.303) 5.414 9.046 ( 2.269 -1.148 -1.667) 3.040 11.590 ( -0.572 1.789 0.495) 1.942 11.616 ( -1.678 -0.496 0.589) 1.846 11.629 ( 0.193 1.324 -0.242) 1.360 11.652 ( -0.675 -0.611 -0.661) 1.125 12.194 ( -2.992 27.324 0.628) 27.494 12.591 ( -4.371 27.753 -2.094) 28.173 12.862 ( -2.468 -34.833 1.142) 34.939 13.257 ( -2.625 -34.370 -1.135) 34.489 14.595 ( -3.396 12.477 -0.101) 12.931 14.699 ( -4.769 9.649 -0.655) 10.783 14.872 ( -4.893 -12.703 0.041) 13.613 14.940 ( -4.354 -12.217 0.847) 12.997 16.186 ( 2.557 4.028 -1.548) 5.016 16.249 ( 1.322 -1.622 -0.725) 2.215 16.302 ( -0.228 3.829 0.870) 3.933 16.345 ( -0.965 0.287 0.728) 1.242 17.135 ( 0.304 14.060 3.009) 14.382 17.360 ( 0.613 -6.656 0.465) 6.700 17.607 ( 0.663 5.029 0.456) 5.093 17.710 ( 1.160 -4.144 -1.594) 4.589 25.669 ( -0.704 3.416 0.673) 3.552 25.674 ( -1.581 4.281 0.972) 4.666 25.894 ( -0.371 6.223 -1.042) 6.320 25.979 ( -2.001 -0.392 -0.512) 2.102 26.722 ( -2.068 20.131 -1.489) 20.292 27.008 ( -6.207 31.835 1.273) 32.460 27.262 ( -3.707 -29.011 -1.012) 29.264 27.728 ( -7.201 -34.259 1.517) 35.040 30.340 ( 2.178 11.553 0.884) 11.790 30.559 ( 2.315 -9.284 0.934) 9.614 30.797 ( 2.520 8.044 1.853) 8.630 30.988 ( 4.117 -10.029 2.898) 11.221 32.994 ( 0.967 5.462 -1.511) 5.749 33.098 ( 1.809 -3.369 -1.103) 3.980 33.247 ( 0.499 4.572 -0.753) 4.661 33.321 ( -0.912 -0.798 -0.015) 1.212 33.450 ( 0.119 8.553 0.699) 8.582 33.657 ( -1.541 -10.449 -0.516) 10.575 33.853 ( 0.959 8.194 -1.428) 8.372 34.111 ( -0.453 -15.131 -1.376) 15.200 42.784 ( -0.932 11.073 1.372) 11.197 42.922 ( 0.214 11.573 -1.400) 11.659 43.010 ( -0.768 -9.780 2.075) 10.027 43.164 ( 0.585 -10.755 -1.096) 10.826 52.683 ( -4.014 49.468 4.567) 49.840 53.698 ( -2.309 -46.211 7.217) 46.828 54.014 ( -3.810 82.441 -5.424) 82.707 55.851 ( -4.850 -90.471 -10.510) 91.208 ======================= Grid point 112 (60/104) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.793 ( 3.552 9.925 8.311) 13.424 2.002 ( 0.964 -9.049 13.206) 16.037 2.061 ( -7.035 5.169 0.856) 8.771 2.197 ( 0.768 -5.727 1.093) 5.881 2.267 ( 3.140 -1.748 7.273) 8.112 2.325 ( 2.291 -5.894 7.013) 9.443 2.653 ( -2.940 4.812 4.899) 7.470 2.752 ( -5.502 -3.901 6.336) 9.254 3.057 ( -1.771 7.607 -2.458) 8.188 3.136 ( -0.905 1.401 -0.750) 1.828 3.356 ( 4.272 5.552 -4.241) 8.190 3.417 ( 1.260 0.451 -5.461) 5.622 3.979 ( 2.575 17.795 1.216) 18.021 3.997 ( 3.170 18.041 1.494) 18.378 4.123 ( -0.924 4.135 2.899) 5.134 4.134 ( 3.503 -3.198 -2.459) 5.343 4.197 ( -0.544 2.071 -1.033) 2.378 4.394 ( -1.532 -10.424 -0.907) 10.575 4.561 ( -2.224 -3.747 2.152) 4.860 4.623 ( 0.170 -9.209 1.458) 9.325 4.791 ( -3.992 12.624 0.971) 13.276 4.991 ( -4.642 8.573 -0.552) 9.765 5.103 ( 0.283 -0.457 -9.168) 9.184 5.112 ( -2.683 -0.711 -8.009) 8.476 5.144 ( -2.144 15.886 -5.668) 17.003 5.287 ( 3.716 9.849 -3.480) 11.087 5.427 ( -0.429 7.988 -2.989) 8.539 5.481 ( 3.611 9.803 -9.552) 14.156 5.561 ( 1.347 1.562 0.009) 2.063 5.647 ( 6.996 0.197 -4.834) 8.506 5.836 ( 1.203 8.089 3.031) 8.721 5.953 ( 1.276 4.984 2.173) 5.585 6.131 ( -2.170 -6.953 1.779) 7.497 6.143 ( -0.901 -15.941 1.274) 16.017 6.204 ( -0.633 -18.775 -0.031) 18.785 6.299 ( 0.043 -12.625 0.702) 12.644 6.577 ( 0.352 -1.783 4.232) 4.606 6.668 ( -2.578 -7.625 6.368) 10.263 7.038 ( 1.652 3.847 -3.192) 5.265 7.141 ( 0.937 -5.305 -3.554) 6.454 7.480 ( -1.167 -0.376 2.862) 3.114 7.519 ( -1.226 -4.149 2.859) 5.186 7.830 ( -0.365 1.833 -0.213) 1.881 7.869 ( 0.095 -1.552 -0.437) 1.616 8.641 ( -2.175 0.096 3.940) 4.501 8.647 ( 2.583 -0.372 3.927) 4.715 8.980 ( -0.142 5.519 -2.068) 5.896 9.048 ( -0.218 -0.871 -3.337) 3.456 11.591 ( 0.231 0.768 0.429) 0.910 11.595 ( -1.025 0.432 0.596) 1.262 11.631 ( -0.046 1.049 -0.370) 1.113 11.645 ( 0.764 -0.132 -0.419) 0.882 12.187 ( 0.732 26.891 2.538) 27.020 12.500 ( -1.328 25.333 -5.278) 25.911 12.883 ( 1.702 -33.127 4.387) 33.460 13.201 ( -0.933 -35.233 -3.512) 35.420 14.567 ( 0.362 10.970 0.135) 10.977 14.638 ( -0.462 8.964 -1.796) 9.154 14.842 ( 0.541 -11.489 1.306) 11.575 14.893 ( -0.881 -11.671 -0.175) 11.705 16.212 ( 1.395 3.615 -0.622) 3.925 16.254 ( -0.883 1.520 -1.576) 2.361 16.279 ( -0.687 1.927 -0.263) 2.062 16.325 ( -1.230 -0.533 -0.692) 1.508 17.169 ( -0.385 12.960 4.372) 13.683 17.370 ( 0.012 -5.124 0.245) 5.130 17.619 ( 0.004 4.648 0.921) 4.739 17.722 ( 1.454 -4.240 -0.808) 4.555 25.674 ( 0.159 4.483 2.031) 4.925 25.686 ( 0.785 3.080 2.394) 3.979 25.887 ( 0.612 5.568 -1.184) 5.725 25.940 ( -0.896 2.469 -2.020) 3.314 26.723 ( 2.264 19.625 1.232) 19.793 26.909 ( -3.333 28.150 -3.293) 28.537 27.269 ( 3.321 -28.845 3.388) 29.233 27.605 ( -4.268 -34.062 -4.511) 34.623 30.398 ( 1.603 11.480 4.029) 12.272 30.607 ( 0.665 -7.321 2.206) 7.675 30.806 ( -1.702 7.604 0.486) 7.807 31.015 ( -2.303 -11.157 -0.107) 11.392 33.039 ( 2.996 5.792 2.589) 7.016 33.136 ( 1.764 -1.899 1.492) 2.991 33.246 ( 0.448 3.809 -1.088) 3.987 33.291 ( -1.479 1.013 -1.909) 2.619 33.478 ( 0.789 6.481 3.149) 7.248 33.662 ( 1.580 -9.890 1.994) 10.212 33.827 ( -0.790 5.595 -4.243) 7.066 34.047 ( -2.588 -14.173 -6.375) 15.755 42.784 ( -0.480 11.015 1.559) 11.135 42.912 ( 0.274 10.366 -1.664) 10.502 43.021 ( -0.428 -8.594 2.448) 8.946 43.164 ( 0.536 -10.762 -1.169) 10.838 52.755 ( 2.941 52.262 12.629) 53.846 53.804 ( 0.782 0.951 5.261) 5.403 53.924 ( 1.948 28.061 2.737) 28.262 55.655 ( -0.987 -87.388 -19.741) 89.596 ======================= Grid point 113 (61/104) ======================= q-point: (-0.40 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -4.516 12.283 -2.417) 13.308 2.002 ( 6.665 7.310 9.443) 13.676 2.190 ( 7.643 -8.723 7.371) 13.742 2.227 ( 3.276 -13.823 -0.644) 14.220 2.490 ( 7.864 0.310 10.609) 13.210 2.520 ( 7.304 -1.872 14.091) 15.981 2.579 ( -7.708 6.406 1.932) 10.207 2.687 ( -6.836 -2.281 6.787) 9.899 3.003 ( -0.577 9.687 -4.361) 10.639 3.158 ( 3.818 -2.924 -0.082) 4.810 3.445 ( 5.925 4.686 -4.383) 8.733 3.455 ( 8.659 2.989 -2.381) 9.465 4.065 ( 2.255 7.879 3.007) 8.730 4.095 ( 5.355 18.001 1.892) 18.876 4.134 ( 0.250 2.142 4.109) 4.640 4.178 ( 0.442 6.587 -1.270) 6.723 4.198 ( 3.422 -0.257 1.214) 3.640 4.381 ( 1.779 -7.276 -3.801) 8.400 4.526 ( -1.227 -0.992 -0.910) 1.821 4.660 ( 3.678 -13.256 -0.118) 13.757 4.743 ( -2.091 12.750 1.179) 12.974 4.871 ( -6.011 9.340 -4.498) 11.983 4.983 ( -4.688 -2.099 -5.584) 7.587 4.986 ( -1.316 -1.504 -11.206) 11.383 5.034 ( -4.673 21.161 -6.068) 22.505 5.317 ( 1.821 -2.971 -4.694) 5.846 5.370 ( -0.886 14.299 -1.622) 14.418 5.493 ( 4.839 7.280 -6.969) 11.179 5.589 ( 0.992 5.505 1.004) 5.683 5.671 ( 1.799 -4.605 -6.020) 7.790 5.905 ( 1.671 11.789 4.078) 12.586 5.996 ( 1.247 6.805 1.481) 7.075 6.101 ( -1.454 -4.994 0.500) 5.225 6.116 ( -2.183 -21.068 0.393) 21.184 6.203 ( -0.148 -19.669 1.622) 19.736 6.298 ( 0.035 -13.411 -0.918) 13.443 6.626 ( 0.091 -1.056 4.636) 4.755 6.692 ( -1.367 -6.629 7.072) 9.789 7.007 ( -1.324 3.965 -4.040) 5.813 7.113 ( -0.394 -5.317 -4.045) 6.692 7.488 ( -0.859 -1.008 3.414) 3.662 7.517 ( -2.198 -4.092 4.207) 6.266 7.802 ( -2.061 3.980 -0.586) 4.520 7.866 ( -0.597 -1.826 -0.664) 2.033 8.617 ( -4.043 4.366 5.223) 7.917 8.725 ( 1.497 -5.245 4.376) 6.993 8.929 ( -3.033 4.595 -3.103) 6.320 8.973 ( -3.567 0.269 -4.598) 5.825 11.590 ( 0.123 1.494 0.510) 1.583 11.610 ( 1.331 -0.359 0.336) 1.419 11.627 ( 0.071 2.117 -0.353) 2.148 11.661 ( 1.086 -1.076 -0.278) 1.554 12.267 ( 4.667 26.871 4.089) 27.578 12.450 ( 1.494 24.846 -6.213) 25.655 12.994 ( 5.131 -32.130 5.207) 32.951 13.163 ( 1.197 -33.252 -5.149) 33.669 14.606 ( 3.972 10.385 0.372) 11.125 14.668 ( 5.218 9.906 -1.390) 11.283 14.871 ( 2.235 -10.997 -0.033) 11.222 14.941 ( 5.570 -12.160 0.802) 13.399 16.183 ( -3.801 6.114 -2.688) 7.684 16.228 ( 0.439 3.264 0.570) 3.343 16.282 ( -1.216 -1.241 -0.708) 1.876 16.294 ( -0.193 -1.672 0.454) 1.743 17.201 ( -0.530 10.963 4.645) 11.918 17.365 ( -0.591 -3.257 -0.070) 3.311 17.620 ( -0.701 5.244 0.527) 5.317 17.745 ( 1.407 -5.133 -0.589) 5.355 25.708 ( 1.251 5.236 2.155) 5.799 25.735 ( 1.809 2.428 2.666) 4.035 25.891 ( 0.563 4.354 -1.347) 4.592 25.918 ( 1.605 2.387 -2.630) 3.898 26.824 ( 1.214 25.333 -2.433) 25.478 26.843 ( 5.824 24.429 1.151) 25.140 27.447 ( 10.564 -29.796 6.380) 32.251 27.504 ( -0.105 -32.635 -6.853) 33.347 30.463 ( -0.072 10.232 5.907) 11.814 30.576 ( -4.321 3.490 -2.633) 6.147 30.801 ( -1.492 -2.530 6.466) 7.102 30.922 ( -5.976 -10.051 -2.003) 11.863 33.124 ( 2.248 4.474 3.497) 6.107 33.175 ( 0.501 1.339 1.429) 2.021 33.225 ( -2.022 4.077 -5.076) 6.817 33.251 ( 0.778 0.529 -0.289) 0.984 33.536 ( 1.821 8.127 5.031) 9.730 33.742 ( 0.903 -4.593 -0.114) 4.682 33.769 ( 1.881 -5.704 0.059) 6.006 33.902 ( -4.821 -12.092 -10.287) 16.592 42.795 ( -0.070 10.848 1.718) 10.983 42.906 ( 0.795 9.757 -1.439) 9.894 43.036 ( -0.320 -7.926 2.290) 8.257 43.163 ( 0.599 -10.523 -1.237) 10.613 53.005 ( 8.560 57.118 17.809) 60.439 53.716 ( 1.277 73.092 -16.829) 75.015 54.230 ( 10.100 -52.405 27.068) 59.841 55.449 ( 2.156 -84.641 -29.090) 89.526 ======================= Grid point 114 (62/104) ======================= q-point: (-0.30 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 2.762 19.700 0.279) 19.895 2.185 ( 4.595 4.627 6.786) 9.411 2.302 ( -0.388 -3.360 3.741) 5.043 2.375 ( 4.875 -6.660 4.374) 9.341 2.404 ( -4.969 0.453 -2.022) 5.383 2.587 ( -6.675 -5.226 5.123) 9.905 2.731 ( 7.774 4.370 5.130) 10.288 2.810 ( 7.334 -3.246 7.776) 11.171 2.955 ( -0.609 13.044 -2.678) 13.330 3.243 ( 2.834 -10.889 2.072) 11.441 3.515 ( 3.969 5.446 -2.588) 7.219 3.570 ( 5.021 0.141 -3.220) 5.967 4.040 ( -7.319 14.717 -1.099) 16.473 4.118 ( -1.573 5.855 7.481) 9.629 4.227 ( 2.136 -0.531 1.884) 2.897 4.244 ( 1.797 -1.239 7.616) 7.923 4.312 ( 6.280 4.718 -1.507) 7.998 4.412 ( 8.076 4.606 -2.435) 9.611 4.533 ( 2.767 0.805 -2.231) 3.645 4.640 ( -2.412 7.905 -7.206) 10.965 4.733 ( -1.851 8.553 -0.918) 8.799 4.833 ( -5.399 -1.531 -3.376) 6.550 4.850 ( 9.651 -10.738 0.849) 14.463 4.866 ( -4.645 9.265 -8.755) 13.567 4.895 ( -0.815 9.637 -3.534) 10.297 5.266 ( -1.062 3.341 -3.866) 5.219 5.400 ( 4.241 -5.112 -1.499) 6.809 5.484 ( -0.387 3.535 -5.519) 6.565 5.617 ( 2.670 8.805 -1.915) 9.398 5.645 ( 1.311 2.610 -4.309) 5.206 5.924 ( -1.863 12.424 0.328) 12.567 6.007 ( -0.604 5.808 -1.248) 5.971 6.094 ( -0.829 -17.764 2.754) 17.995 6.108 ( 0.201 -12.817 0.962) 12.855 6.234 ( 1.269 -15.703 2.825) 16.005 6.293 ( 0.778 -13.831 -1.450) 13.929 6.663 ( -0.369 0.456 4.564) 4.602 6.736 ( -0.097 -5.583 4.125) 6.942 6.939 ( -1.836 3.381 -2.917) 4.828 7.047 ( -2.560 -5.814 -4.223) 7.628 7.496 ( -2.466 0.090 3.816) 4.544 7.527 ( -1.669 -3.172 5.621) 6.667 7.742 ( -3.806 4.692 -0.828) 6.098 7.820 ( -3.940 -2.577 -0.732) 4.765 8.618 ( -0.344 8.581 5.093) 9.985 8.738 ( -6.212 2.304 0.316) 6.633 8.857 ( -3.572 -0.660 -1.363) 3.879 8.871 ( 3.147 -6.236 -4.402) 8.256 11.608 ( 1.274 2.190 0.410) 2.567 11.628 ( 0.386 2.788 -0.299) 2.831 11.644 ( 1.930 -1.164 0.259) 2.269 11.676 ( 0.850 -1.727 -0.238) 1.939 12.392 ( 3.379 26.286 -1.343) 26.536 12.472 ( 7.372 25.240 1.051) 26.315 13.101 ( 1.727 -28.590 -2.223) 28.728 13.189 ( 6.154 -30.683 0.796) 31.304 14.742 ( 10.524 9.045 0.612) 13.891 14.779 ( 7.454 13.618 -0.800) 15.545 14.966 ( 8.522 -10.486 0.201) 13.514 15.080 ( 8.535 -13.541 0.610) 16.018 16.075 ( -5.617 7.985 -1.630) 9.898 16.214 ( -2.821 -4.385 -1.719) 5.490 16.251 ( -0.754 3.723 2.279) 4.430 16.314 ( 0.061 -1.733 2.556) 3.089 17.238 ( 0.258 8.720 4.090) 9.635 17.348 ( -0.698 0.360 -1.079) 1.335 17.599 ( -1.949 5.236 -0.039) 5.587 17.752 ( -0.009 -6.969 -1.267) 7.083 25.744 ( 1.285 6.248 0.093) 6.380 25.797 ( 2.255 3.415 2.685) 4.895 25.878 ( 1.204 3.591 -3.995) 5.505 25.960 ( 3.396 -2.783 0.499) 4.419 26.777 ( 0.332 25.689 -4.600) 26.099 27.105 ( 15.996 24.655 5.285) 29.861 27.464 ( 4.290 -25.645 -5.557) 26.588 27.802 ( 19.068 -29.257 8.816) 36.017 30.413 ( -7.544 10.392 -2.877) 13.160 30.498 ( -3.734 3.472 3.635) 6.261 30.787 ( -6.333 -4.585 0.068) 7.819 30.843 ( -3.331 -8.489 8.531) 12.487 33.103 ( -4.039 5.778 -7.286) 10.138 33.164 ( -1.133 1.688 -3.327) 3.898 33.179 ( 0.283 3.673 1.717) 4.065 33.271 ( 0.051 -3.784 1.772) 4.178 33.642 ( 3.233 9.568 4.216) 10.944 33.674 ( -2.085 -3.670 -3.456) 5.455 33.696 ( -5.406 -4.792 -9.238) 11.727 33.909 ( 5.689 -12.860 5.708) 15.176 42.812 ( 0.145 10.766 1.729) 10.905 42.918 ( 1.727 9.558 -1.029) 9.767 43.049 ( -0.419 -7.893 1.878) 8.124 43.164 ( 0.726 -10.098 -1.266) 10.203 53.362 ( 11.064 63.973 18.087) 67.395 53.592 ( 4.122 69.805 -19.280) 72.536 54.716 ( 13.430 -61.878 29.131) 69.698 55.170 ( -0.360 -77.973 -37.233) 86.407 ======================= Grid point 115 (63/104) ======================= q-point: (-0.20 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 1.758 23.959 4.564) 24.453 2.161 ( -5.027 19.788 -2.281) 20.544 2.289 ( 0.253 8.683 3.617) 9.410 2.395 ( -4.246 -1.258 2.489) 5.080 2.464 ( -2.021 -18.222 1.432) 18.390 2.552 ( 3.511 -15.382 1.941) 15.896 2.824 ( -1.536 10.579 -0.700) 10.713 2.879 ( 3.462 8.171 -1.928) 9.081 3.016 ( 3.137 -0.563 4.241) 5.305 3.257 ( -4.294 -13.697 3.598) 14.799 3.518 ( 0.851 0.721 -6.485) 6.580 3.554 ( -0.728 -2.353 -7.420) 7.818 3.876 ( -8.155 21.453 -1.106) 22.977 4.136 ( -4.711 8.896 6.522) 11.995 4.230 ( -0.702 -7.949 -1.825) 8.186 4.320 ( -0.043 -3.275 4.749) 5.769 4.373 ( -0.970 2.039 4.832) 5.333 4.491 ( -5.474 3.360 -2.260) 6.809 4.514 ( -1.296 0.089 1.632) 2.085 4.635 ( 7.417 3.943 -3.499) 9.100 4.723 ( 3.806 8.259 -4.403) 10.104 4.761 ( 3.427 -1.692 -2.186) 4.403 4.860 ( 8.011 7.271 1.851) 10.976 4.918 ( 5.706 14.345 -0.166) 15.440 5.089 ( 14.174 -9.868 -0.574) 17.281 5.244 ( 1.312 6.480 0.302) 6.619 5.394 ( -2.877 3.093 -2.813) 5.075 5.492 ( 5.316 -8.159 -1.109) 9.801 5.628 ( 1.437 5.667 -4.242) 7.223 5.652 ( 2.670 11.993 -3.146) 12.683 5.873 ( -2.284 10.068 -1.447) 10.424 5.975 ( -0.966 -0.510 -1.506) 1.860 6.092 ( -1.543 -16.748 0.380) 16.823 6.116 ( -1.103 -12.972 3.000) 13.360 6.281 ( 1.155 -15.365 0.565) 15.419 6.299 ( 1.007 -14.601 -1.153) 14.681 6.701 ( 0.374 1.905 3.615) 4.104 6.750 ( -0.048 -0.826 -0.325) 0.889 6.909 ( -0.682 -1.402 1.483) 2.152 6.957 ( -2.932 -4.154 -2.589) 5.706 7.460 ( -5.856 2.392 3.751) 7.354 7.516 ( -6.081 -2.839 4.799) 8.250 7.654 ( -4.130 2.723 -1.479) 5.163 7.710 ( -6.521 -2.269 -1.077) 6.988 8.569 ( -5.869 10.740 -4.500) 13.040 8.724 ( 4.016 9.365 7.097) 12.418 8.757 ( -1.855 -3.449 -5.613) 6.844 8.992 ( 8.148 -12.548 0.998) 14.994 11.633 ( 0.412 2.646 0.367) 2.702 11.642 ( 2.024 2.659 -0.357) 3.361 11.680 ( 1.097 -1.802 0.484) 2.165 11.691 ( 1.443 -1.831 -0.378) 2.362 12.399 ( 1.708 27.507 -3.346) 27.762 12.692 ( 10.545 22.082 5.855) 25.162 13.071 ( -0.334 -25.123 -4.961) 25.610 13.320 ( 5.105 -26.751 1.887) 27.299 14.909 ( 9.084 16.449 -2.366) 18.939 15.007 ( 15.396 7.179 1.844) 17.088 15.179 ( 13.267 -8.123 0.582) 15.567 15.266 ( 11.427 -13.432 0.648) 17.647 15.955 ( -6.460 8.183 0.060) 10.426 16.125 ( -5.194 -7.032 -1.120) 8.814 16.259 ( -1.748 4.210 3.255) 5.601 16.331 ( -1.542 -2.173 2.995) 4.009 17.276 ( -0.126 7.356 1.229) 7.459 17.321 ( 0.182 6.379 -1.626) 6.586 17.554 ( -2.714 2.198 0.277) 3.503 17.714 ( -2.183 -9.272 -2.738) 9.911 25.760 ( 1.117 6.995 -1.084) 7.166 25.861 ( 1.740 8.770 0.990) 8.995 25.872 ( 2.431 -1.924 -2.470) 3.964 26.033 ( 3.304 -7.080 1.147) 7.897 26.760 ( 1.278 27.260 -2.080) 27.369 27.354 ( 6.191 -21.770 -1.468) 22.680 27.738 ( 28.843 22.756 3.892) 36.945 28.285 ( 24.341 -24.256 6.750) 35.020 30.250 ( -6.996 11.818 -1.721) 13.841 30.416 ( -7.224 -3.531 1.407) 8.163 30.665 ( -8.654 0.683 0.565) 8.699 30.800 ( -9.576 -10.670 4.839) 15.132 32.949 ( -4.577 4.294 -6.525) 9.053 33.043 ( -5.904 -3.998 -8.341) 10.974 33.194 ( -0.163 4.474 1.118) 4.614 33.280 ( -0.759 -3.603 1.970) 4.176 33.500 ( -4.242 3.698 -5.436) 7.824 33.624 ( -1.560 -7.203 0.089) 7.371 33.786 ( 4.687 11.904 3.578) 13.285 34.050 ( 4.227 -12.865 4.056) 14.136 42.829 ( 0.073 10.771 1.527) 10.879 42.950 ( 2.696 8.963 -1.020) 9.415 43.054 ( -0.634 -8.202 1.385) 8.342 43.165 ( 0.671 -9.322 -1.401) 9.450 53.522 ( 8.983 58.158 -14.529) 60.615 53.727 ( 9.290 68.365 13.185) 70.242 54.750 ( -6.647 -59.446 -37.738) 70.726 55.195 ( 10.418 -68.949 23.659) 73.636 ======================= Grid point 116 (64/104) ======================= q-point: (-0.10 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( -5.862 24.090 -3.876) 25.094 2.174 ( -2.681 19.867 0.928) 20.069 2.277 ( -3.637 13.788 2.511) 14.480 2.314 ( -3.500 0.030 0.095) 3.502 2.335 ( -4.623 -9.805 -5.260) 12.049 2.663 ( 1.424 -16.254 5.285) 17.151 2.833 ( 2.175 7.039 2.823) 7.890 2.899 ( 2.804 2.591 -7.012) 7.984 3.074 ( -1.361 -4.286 4.985) 6.714 3.178 ( -6.313 -8.492 3.186) 11.051 3.408 ( -0.051 0.910 -14.116) 14.145 3.508 ( 3.185 -6.578 -7.982) 10.822 3.749 ( -4.646 20.697 0.304) 21.214 4.064 ( -4.375 11.581 -2.027) 12.545 4.183 ( -1.578 -12.185 -3.351) 12.736 4.295 ( -5.462 -4.310 1.205) 7.061 4.339 ( -2.788 6.042 -3.516) 7.526 4.447 ( 0.934 -0.424 7.401) 7.472 4.559 ( -0.428 -1.888 9.692) 9.883 4.654 ( -2.626 -11.648 3.419) 12.420 4.780 ( 3.900 8.821 4.236) 10.534 4.919 ( 4.912 -3.273 2.685) 6.484 5.024 ( 9.989 12.935 -5.484) 17.239 5.066 ( 8.969 20.218 1.559) 22.173 5.310 ( 6.230 12.117 0.905) 13.655 5.344 ( 3.275 2.929 2.089) 4.865 5.357 ( 6.444 2.321 1.004) 6.923 5.540 ( 0.181 -0.820 -1.538) 1.753 5.629 ( 2.133 3.521 -0.985) 4.233 5.658 ( 1.703 9.982 -4.271) 10.990 5.845 ( 0.401 3.586 -1.330) 3.846 5.952 ( 0.420 -7.136 -1.272) 7.261 6.054 ( -2.490 -18.446 -1.042) 18.643 6.114 ( -1.633 -12.519 1.912) 12.769 6.278 ( 0.594 -17.052 -2.960) 17.317 6.293 ( -0.578 -16.801 -2.280) 16.965 6.726 ( 0.122 3.285 0.603) 3.342 6.763 ( 0.728 -0.466 3.476) 3.582 6.897 ( -0.470 1.066 1.689) 2.052 6.964 ( 2.485 -4.331 2.402) 5.541 7.332 ( -11.129 1.151 3.701) 11.785 7.373 ( -12.500 -2.819 3.040) 13.170 7.568 ( -3.093 1.843 -2.487) 4.376 7.608 ( -1.832 -1.733 -3.306) 4.158 8.470 ( -1.148 13.729 -2.368) 13.979 8.692 ( 0.195 -4.591 -5.699) 7.321 8.881 ( 5.098 9.298 6.749) 12.569 9.145 ( 6.526 -13.748 0.989) 15.250 11.642 ( 0.170 2.533 0.444) 2.578 11.675 ( 1.669 2.448 -0.450) 2.996 11.691 ( 0.027 -2.079 0.571) 2.156 11.720 ( 1.535 -1.820 -0.303) 2.400 12.413 ( 1.818 28.173 -0.213) 28.232 12.897 ( 4.736 23.906 0.494) 24.376 13.029 ( 1.081 -29.407 0.235) 29.428 13.395 ( 2.029 -23.147 0.141) 23.236 15.063 ( 9.154 19.048 -0.567) 21.141 15.287 ( 12.239 0.202 0.286) 12.244 15.410 ( 10.174 -1.140 0.835) 10.272 15.517 ( 13.820 -9.332 0.376) 16.679 15.854 ( -3.903 4.104 0.254) 5.670 16.006 ( -6.867 -8.211 -0.351) 10.710 16.214 ( -5.692 4.226 -0.600) 7.115 16.287 ( -5.464 -2.232 0.552) 5.928 17.235 ( -0.891 13.240 -2.407) 13.487 17.363 ( 2.995 5.347 1.017) 6.213 17.504 ( -3.309 -2.585 0.100) 4.201 17.633 ( -2.375 -10.283 -4.053) 11.305 25.773 ( 1.167 7.311 -0.511) 7.421 25.870 ( 1.505 5.095 -2.495) 5.870 25.927 ( 1.919 0.902 2.382) 3.189 26.089 ( 1.659 -8.734 0.586) 8.910 26.792 ( 2.155 29.996 2.578) 30.184 27.438 ( 3.749 -29.712 2.698) 30.069 28.354 ( 32.695 21.156 -8.134) 39.783 28.726 ( 18.084 -14.932 -3.253) 23.676 30.147 ( -3.275 12.531 0.219) 12.954 30.260 ( -11.738 -0.782 -0.376) 11.770 30.433 ( -15.198 -1.317 -1.873) 15.370 30.576 ( -10.859 -12.651 -4.808) 17.352 32.866 ( -0.700 1.306 1.080) 1.834 32.897 ( -2.123 -1.549 0.332) 2.649 33.194 ( -0.502 4.595 0.250) 4.629 33.279 ( -1.048 -3.318 1.107) 3.652 33.435 ( -0.744 8.365 -0.112) 8.399 33.620 ( -0.461 -9.081 3.085) 9.602 33.865 ( 1.831 11.678 -0.171) 11.822 34.124 ( 1.198 -12.657 0.825) 12.740 42.839 ( -0.324 10.705 1.138) 10.770 42.988 ( 2.581 8.007 -2.148) 8.683 43.051 ( -0.870 -8.835 1.089) 8.945 43.160 ( 0.359 -7.990 -1.700) 8.176 53.661 ( 15.850 36.116 -9.225) 40.505 53.922 ( 1.343 72.125 5.647) 72.359 54.374 ( -0.137 -32.142 -15.838) 35.833 55.462 ( -0.717 -72.329 11.806) 73.290 ======================= Grid point 147 (65/104) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( -21.291 0.000 25.101) 32.915 1.269 ( 2.771 0.000 25.612) 25.761 1.697 ( 18.618 0.000 -11.455) 21.860 1.777 ( -0.644 0.000 -16.919) 16.931 2.203 ( 2.318 0.000 33.619) 33.699 2.427 ( 5.083 0.000 0.860) 5.155 2.754 ( -1.290 0.000 1.457) 1.946 2.802 ( 1.259 0.000 -1.800) 2.197 3.055 ( -0.669 0.000 5.619) 5.658 3.065 ( 1.611 0.000 4.754) 5.019 3.229 ( -2.108 0.000 -7.466) 7.758 3.403 ( -8.259 0.000 -8.759) 12.039 3.811 ( -5.025 0.000 -5.003) 7.091 3.838 ( 4.715 0.000 -11.725) 12.637 3.885 ( 8.324 0.000 -0.427) 8.335 3.937 ( -1.179 0.000 -9.281) 9.355 4.283 ( 7.795 0.000 0.229) 7.799 4.287 ( -11.165 0.000 0.934) 11.204 4.469 ( -1.009 0.000 1.419) 1.741 4.497 ( 1.609 0.000 -1.376) 2.118 4.641 ( -11.807 0.000 6.185) 13.329 4.672 ( 5.600 0.000 6.875) 8.867 4.921 ( 2.827 0.000 3.162) 4.242 4.989 ( 1.085 0.000 -6.061) 6.157 5.038 ( 3.219 0.000 0.680) 3.290 5.233 ( 1.618 0.000 -13.204) 13.303 5.333 ( -2.507 0.000 6.152) 6.643 5.422 ( -2.032 0.000 -2.678) 3.362 5.623 ( 8.789 0.000 -1.855) 8.983 5.649 ( -1.736 0.000 -4.412) 4.742 6.267 ( 3.835 0.000 5.080) 6.365 6.388 ( -1.062 0.000 -5.976) 6.069 6.536 ( 3.816 0.000 1.851) 4.241 6.556 ( -4.222 0.000 0.151) 4.225 6.755 ( 2.740 0.000 10.921) 11.259 6.936 ( -0.607 0.000 -6.334) 6.363 7.096 ( -0.157 0.000 1.366) 1.375 7.142 ( 0.939 0.000 -3.461) 3.586 7.338 ( -3.760 0.000 6.897) 7.855 7.391 ( -3.170 0.000 5.600) 6.435 7.461 ( -2.782 0.000 -4.462) 5.258 7.514 ( 8.488 0.000 -5.472) 10.099 7.843 ( 10.367 0.000 11.613) 15.567 8.057 ( -11.929 0.000 -8.681) 14.753 8.089 ( -3.843 0.000 15.207) 15.685 8.178 ( 3.363 0.000 -0.625) 3.420 8.188 ( 5.116 0.000 2.553) 5.718 8.470 ( -14.645 0.000 -16.759) 22.256 11.544 ( 0.255 0.000 0.985) 1.017 11.564 ( 0.286 0.000 -0.938) 0.981 11.751 ( 1.663 0.000 3.512) 3.886 11.780 ( 0.045 0.000 1.299) 1.300 11.793 ( 0.118 0.000 -0.674) 0.684 11.838 ( -2.538 0.000 -3.979) 4.719 13.733 ( -1.724 0.000 1.218) 2.111 13.765 ( 1.848 0.000 -1.888) 2.641 14.225 ( 13.957 0.000 0.874) 13.984 14.236 ( -8.874 0.000 -0.173) 8.876 15.656 ( -2.609 0.000 0.640) 2.686 15.670 ( 4.829 0.000 -0.737) 4.885 15.917 ( -0.826 0.000 0.742) 1.110 15.934 ( 1.059 0.000 -0.946) 1.420 16.087 ( 0.280 0.000 2.056) 2.075 16.125 ( -0.357 0.000 -1.651) 1.689 16.936 ( 9.564 0.000 2.542) 9.896 16.992 ( -7.238 0.000 -2.755) 7.745 17.563 ( 3.706 0.000 0.391) 3.726 17.572 ( -3.601 0.000 -0.423) 3.626 25.009 ( -0.137 0.000 0.254) 0.288 25.016 ( 0.105 0.000 -0.438) 0.451 25.528 ( 3.033 0.000 1.498) 3.383 25.558 ( -4.607 0.000 -1.374) 4.808 26.432 ( -1.566 0.000 0.732) 1.728 26.444 ( 1.478 0.000 -0.434) 1.541 29.030 ( 3.175 0.000 4.508) 5.514 29.127 ( -2.351 0.000 -4.736) 5.287 29.198 ( 6.192 0.000 7.021) 9.362 29.358 ( -9.881 0.000 -8.248) 12.871 30.700 ( -1.588 0.000 4.375) 4.654 30.789 ( 2.144 0.000 -4.116) 4.641 32.938 ( 0.765 0.000 1.096) 1.337 32.946 ( -0.231 0.000 -0.026) 0.233 33.111 ( 2.814 0.000 8.058) 8.536 33.277 ( -4.230 0.000 -6.732) 7.951 33.394 ( 10.839 0.000 -0.383) 10.845 33.397 ( -4.908 0.000 -1.364) 5.094 34.694 ( -5.620 0.000 3.367) 6.552 34.761 ( 8.804 0.000 -3.059) 9.320 42.315 ( 0.980 0.000 1.140) 1.504 42.338 ( -0.932 0.000 -1.075) 1.422 43.361 ( -1.749 0.000 1.633) 2.393 43.396 ( 1.036 0.000 -1.631) 1.932 50.701 ( 4.161 0.000 9.474) 10.347 50.896 ( -4.072 0.000 -9.147) 10.013 58.193 ( -73.325 0.000 8.564) 73.824 58.375 ( 132.302 0.000 -8.753) 132.591 ======================= Grid point 148 (66/104) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 4.048 0.000 20.723) 21.115 1.594 ( 8.265 0.000 15.474) 17.543 1.669 ( 8.577 0.000 -20.024) 21.784 1.968 ( 19.150 0.000 -17.848) 26.178 2.360 ( -0.976 0.000 2.398) 2.589 2.460 ( 1.977 0.000 -10.051) 10.244 2.738 ( -3.001 0.000 1.831) 3.515 2.759 ( -3.264 0.000 -0.773) 3.355 3.062 ( -5.299 0.000 -4.490) 6.946 3.106 ( -0.952 0.000 -3.823) 3.940 3.156 ( -4.255 0.000 1.962) 4.686 3.352 ( 5.868 0.000 28.877) 29.467 3.560 ( -12.139 0.000 -7.395) 14.214 3.730 ( -8.345 0.000 -2.575) 8.733 3.924 ( 1.625 0.000 -5.686) 5.914 3.998 ( 2.589 0.000 -1.453) 2.969 4.059 ( -10.360 0.000 0.401) 10.368 4.363 ( -0.348 0.000 1.306) 1.352 4.423 ( -8.397 0.000 1.933) 8.616 4.509 ( 1.314 0.000 -1.474) 1.975 4.516 ( -2.285 0.000 -0.496) 2.338 4.778 ( -1.224 0.000 8.561) 8.648 4.940 ( 0.361 0.000 -6.260) 6.270 4.987 ( -3.086 0.000 10.181) 10.639 5.121 ( 8.775 0.000 -7.127) 11.305 5.136 ( -0.398 0.000 -9.670) 9.679 5.341 ( -2.495 0.000 6.580) 7.038 5.350 ( -2.492 0.000 -2.057) 3.232 5.563 ( -3.154 0.000 -3.742) 4.894 5.723 ( 3.485 0.000 -4.527) 5.713 6.290 ( -1.920 0.000 -9.237) 9.434 6.324 ( -2.842 0.000 5.681) 6.353 6.470 ( -4.446 0.000 -0.943) 4.545 6.589 ( -0.451 0.000 2.249) 2.293 6.806 ( -5.538 0.000 -9.289) 10.814 6.884 ( 3.057 0.000 5.792) 6.549 7.085 ( -3.291 0.000 1.606) 3.662 7.131 ( 0.624 0.000 -2.476) 2.554 7.285 ( -5.403 0.000 8.838) 10.358 7.373 ( -0.681 0.000 -5.104) 5.150 7.443 ( 0.330 0.000 3.664) 3.679 7.576 ( 3.088 0.000 -5.018) 5.893 7.701 ( -13.700 0.000 -5.004) 14.585 8.015 ( -5.249 0.000 8.246) 9.775 8.120 ( -1.907 0.000 -6.633) 6.902 8.143 ( 9.736 0.000 9.297) 13.462 8.341 ( 6.398 0.000 -5.050) 8.151 8.465 ( 5.042 0.000 12.822) 13.777 11.521 ( -3.147 0.000 -1.140) 3.347 11.534 ( -0.781 0.000 0.886) 1.181 11.749 ( -3.387 0.000 -3.733) 5.040 11.776 ( -0.279 0.000 1.417) 1.444 11.785 ( -0.893 0.000 -0.295) 0.940 11.847 ( 3.003 0.000 4.126) 5.103 13.763 ( 3.654 0.000 0.748) 3.730 13.785 ( 1.033 0.000 -1.748) 2.030 14.239 ( 11.586 0.000 1.580) 11.693 14.525 ( 16.714 0.000 -4.944) 17.430 15.618 ( -0.978 0.000 0.031) 0.979 15.731 ( 3.012 0.000 -2.877) 4.166 15.893 ( -2.511 0.000 0.962) 2.688 15.937 ( 0.463 0.000 -1.702) 1.764 16.099 ( -0.732 0.000 -1.966) 2.097 16.107 ( -0.148 0.000 2.094) 2.099 16.787 ( -10.531 0.000 -4.196) 11.337 17.073 ( 3.520 0.000 0.433) 3.547 17.512 ( -1.931 0.000 0.366) 1.965 17.638 ( 3.551 0.000 -0.275) 3.562 25.011 ( 0.105 0.000 0.412) 0.425 25.013 ( -0.036 0.000 -0.341) 0.343 25.505 ( -0.489 0.000 -0.966) 1.083 25.613 ( 3.212 0.000 2.481) 4.058 26.408 ( -1.347 0.000 0.795) 1.564 26.458 ( 0.446 0.000 -0.673) 0.807 29.032 ( -2.558 0.000 -4.743) 5.389 29.091 ( -0.568 0.000 3.437) 3.483 29.306 ( 6.986 0.000 -9.016) 11.406 29.602 ( 27.183 0.000 17.910) 32.553 30.734 ( 1.280 0.000 3.428) 3.659 30.813 ( 5.047 0.000 -4.808) 6.971 32.932 ( -1.094 0.000 -0.948) 1.448 32.948 ( -0.002 0.000 0.059) 0.059 33.129 ( -4.247 0.000 -7.446) 8.572 33.225 ( 0.343 0.000 8.895) 8.902 33.261 ( -6.176 0.000 -4.380) 7.571 33.539 ( 7.947 0.000 -3.947) 8.873 34.573 ( -9.158 0.000 -0.090) 9.159 34.826 ( 3.065 0.000 -4.441) 5.396 42.313 ( -0.660 0.000 -1.120) 1.300 42.346 ( 1.199 0.000 1.032) 1.581 43.365 ( 0.166 0.000 2.711) 2.716 43.425 ( 3.016 0.000 -1.531) 3.382 50.741 ( -3.003 0.000 -9.323) 9.794 50.876 ( 4.974 0.000 9.229) 10.484 56.604 ( -75.839 0.000 -30.786) 81.850 59.793 ( 53.809 0.000 -46.031) 70.811 ======================= Grid point 149 (67/104) ======================= q-point: ( 0.20 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( 19.025 0.000 -2.962) 19.254 1.676 ( -2.983 0.000 -20.559) 20.774 1.777 ( 17.496 0.000 1.311) 17.545 1.911 ( -3.371 0.000 -8.586) 9.224 2.322 ( -1.170 0.000 -3.254) 3.458 2.478 ( 7.561 0.000 -7.150) 10.407 2.670 ( -4.268 0.000 -1.019) 4.388 2.750 ( 0.941 0.000 5.263) 5.346 2.911 ( -1.374 0.000 -2.997) 3.297 3.090 ( 2.025 0.000 -1.038) 2.276 3.137 ( -8.991 0.000 6.009) 10.814 3.283 ( -12.286 0.000 0.054) 12.286 3.614 ( -2.132 0.000 -0.124) 2.135 3.718 ( -14.419 0.000 0.872) 14.446 3.727 ( 4.876 0.000 23.107) 23.616 3.940 ( -6.203 0.000 -3.559) 7.152 3.967 ( -6.797 0.000 -1.529) 6.967 4.279 ( -9.128 0.000 -0.855) 9.168 4.303 ( -1.962 0.000 -1.405) 2.413 4.463 ( -2.130 0.000 -5.717) 6.101 4.508 ( -1.458 0.000 0.708) 1.621 4.823 ( -0.858 0.000 7.642) 7.690 4.903 ( 1.059 0.000 -5.137) 5.245 4.994 ( -6.697 0.000 11.341) 13.171 5.054 ( -0.842 0.000 -5.958) 6.017 5.203 ( 6.699 0.000 -7.235) 9.861 5.302 ( -1.029 0.000 -1.107) 1.511 5.369 ( -0.156 0.000 4.320) 4.323 5.482 ( -4.010 0.000 0.635) 4.060 5.649 ( -6.008 0.000 -5.115) 7.891 6.156 ( -1.206 0.000 -13.370) 13.425 6.233 ( -14.222 0.000 7.638) 16.144 6.369 ( -4.813 0.000 -1.791) 5.136 6.584 ( 0.127 0.000 0.054) 0.138 6.669 ( 0.722 0.000 -4.532) 4.589 6.965 ( -0.556 0.000 6.455) 6.479 7.020 ( -3.799 0.000 0.265) 3.808 7.126 ( 0.231 0.000 0.253) 0.343 7.326 ( 2.225 0.000 4.903) 5.384 7.338 ( 1.572 0.000 -7.185) 7.354 7.467 ( 0.351 0.000 1.611) 1.649 7.546 ( -0.639 0.000 -2.722) 2.796 7.557 ( 0.184 0.000 -2.356) 2.363 8.041 ( 0.082 0.000 6.131) 6.131 8.120 ( 8.240 0.000 -6.406) 10.437 8.410 ( 11.135 0.000 6.272) 12.780 8.421 ( 5.194 0.000 -1.651) 5.450 8.522 ( -3.061 0.000 1.282) 3.318 11.451 ( -3.107 0.000 -0.879) 3.229 11.559 ( 1.228 0.000 1.952) 2.306 11.647 ( -4.520 0.000 -1.858) 4.887 11.757 ( -1.907 0.000 0.130) 1.911 11.780 ( -0.777 0.000 0.895) 1.185 11.920 ( 1.123 0.000 2.368) 2.621 13.808 ( 3.932 0.000 -1.129) 4.091 13.865 ( 6.593 0.000 0.171) 6.596 14.596 ( 14.591 0.000 11.288) 18.447 14.718 ( 9.759 0.000 -5.454) 11.179 15.642 ( 1.904 0.000 2.166) 2.884 15.731 ( 0.044 0.000 -2.615) 2.615 15.856 ( -2.504 0.000 3.257) 4.108 15.916 ( -0.082 0.000 -3.676) 3.676 16.066 ( -0.560 0.000 -1.793) 1.879 16.118 ( -0.645 0.000 1.843) 1.952 16.564 ( -8.923 0.000 -3.688) 9.655 17.077 ( -1.065 0.000 -3.052) 3.232 17.524 ( 1.111 0.000 3.367) 3.545 17.681 ( 2.316 0.000 -1.584) 2.806 25.009 ( -0.058 0.000 -0.274) 0.280 25.021 ( 0.427 0.000 0.514) 0.668 25.499 ( 0.265 0.000 -0.847) 0.888 25.661 ( 0.024 0.000 1.390) 1.390 26.409 ( 0.661 0.000 1.091) 1.275 26.448 ( -0.334 0.000 -1.358) 1.398 28.955 ( -1.914 0.000 -2.906) 3.479 29.095 ( -1.389 0.000 2.087) 2.507 29.356 ( 5.545 0.000 -5.990) 8.162 30.372 ( 18.808 0.000 27.241) 33.103 30.805 ( 3.165 0.000 3.354) 4.612 30.953 ( 17.521 0.000 4.000) 17.972 32.878 ( -2.596 0.000 -3.855) 4.648 32.946 ( -0.097 0.000 -0.142) 0.172 33.005 ( -3.118 0.000 -3.146) 4.429 33.155 ( 1.764 0.000 -5.655) 5.924 33.267 ( -3.497 0.000 6.296) 7.202 33.636 ( 7.164 0.000 -4.784) 8.615 34.374 ( -9.503 0.000 -3.978) 10.302 34.817 ( 0.996 0.000 -5.183) 5.278 42.297 ( -0.131 0.000 -0.611) 0.625 42.373 ( 0.960 0.000 0.398) 1.039 43.408 ( 0.218 0.000 4.603) 4.608 43.465 ( 2.902 0.000 -1.881) 3.458 50.635 ( -0.330 0.000 -6.421) 6.429 51.027 ( 3.156 0.000 5.972) 6.755 55.411 ( -19.248 0.000 -19.231) 27.208 59.842 ( 6.055 0.000 -47.656) 48.039 ======================= Grid point 150 (68/104) ======================= q-point: ( 0.30 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.331 ( -0.495 0.000 -26.985) 26.989 1.808 ( -8.263 0.000 5.951) 10.183 1.843 ( 13.431 0.000 -13.260) 18.874 2.207 ( 13.025 0.000 11.050) 17.081 2.305 ( 4.237 0.000 -1.195) 4.402 2.534 ( -1.068 0.000 10.531) 10.585 2.592 ( -2.465 0.000 -1.145) 2.717 2.826 ( -3.297 0.000 1.537) 3.638 2.943 ( -8.568 0.000 3.400) 9.218 2.971 ( 9.228 0.000 -6.154) 11.092 3.122 ( -5.032 0.000 2.283) 5.526 3.160 ( 3.988 0.000 1.117) 4.142 3.337 ( -16.992 0.000 -5.517) 17.865 3.692 ( -13.632 0.000 -6.019) 14.902 3.725 ( -5.875 0.000 2.712) 6.470 3.809 ( -2.214 0.000 6.577) 6.940 3.874 ( -6.089 0.000 -2.009) 6.412 4.080 ( -10.425 0.000 6.783) 12.437 4.321 ( 5.285 0.000 -4.377) 6.862 4.349 ( -0.916 0.000 -7.580) 7.635 4.474 ( -3.714 0.000 3.509) 5.110 4.845 ( -2.636 0.000 -4.944) 5.602 4.871 ( -5.321 0.000 10.774) 12.016 4.978 ( -0.681 0.000 4.128) 4.184 5.016 ( -0.717 0.000 1.890) 2.021 5.205 ( 0.154 0.000 -9.877) 9.878 5.298 ( 0.927 0.000 -1.147) 1.475 5.383 ( -2.821 0.000 2.052) 3.489 5.417 ( -3.911 0.000 1.674) 4.254 5.487 ( -5.664 0.000 0.107) 5.665 5.992 ( -17.873 0.000 8.077) 19.613 6.006 ( -2.096 0.000 -12.257) 12.435 6.294 ( -1.828 0.000 -0.810) 2.000 6.590 ( 1.326 0.000 -3.789) 4.014 6.747 ( 8.008 0.000 -0.358) 8.016 6.954 ( -2.811 0.000 -0.188) 2.817 6.998 ( -2.833 0.000 7.899) 8.391 7.143 ( 0.117 0.000 2.356) 2.358 7.280 ( 0.815 0.000 -8.703) 8.741 7.423 ( 4.296 0.000 2.778) 5.116 7.438 ( -1.313 0.000 -3.767) 3.990 7.580 ( 3.456 0.000 -0.619) 3.511 7.629 ( 8.749 0.000 -0.288) 8.754 8.087 ( -1.451 0.000 5.032) 5.237 8.280 ( 12.401 0.000 -2.347) 12.622 8.485 ( 2.195 0.000 -4.660) 5.151 8.504 ( 4.841 0.000 0.149) 4.843 8.656 ( 10.525 0.000 2.869) 10.909 11.395 ( -2.880 0.000 0.508) 2.924 11.565 ( -3.108 0.000 0.085) 3.109 11.584 ( -0.098 0.000 0.949) 0.954 11.723 ( -2.315 0.000 1.053) 2.543 11.744 ( -3.731 0.000 -0.698) 3.795 11.928 ( -0.131 0.000 -2.055) 2.059 13.908 ( 6.728 0.000 0.419) 6.741 13.994 ( 7.149 0.000 -0.521) 7.168 14.799 ( 4.377 0.000 -4.145) 6.028 14.833 ( 1.736 0.000 7.669) 7.863 15.642 ( -3.744 0.000 0.868) 3.843 15.696 ( -1.908 0.000 -1.085) 2.195 15.873 ( 0.529 0.000 -5.950) 5.974 15.879 ( -1.920 0.000 4.476) 4.871 16.093 ( 3.302 0.000 4.421) 5.518 16.120 ( -0.660 0.000 1.475) 1.616 16.422 ( -4.060 0.000 0.240) 4.067 17.006 ( -1.766 0.000 -5.711) 5.978 17.591 ( 1.478 0.000 4.783) 5.006 17.707 ( 2.333 0.000 -1.758) 2.921 25.008 ( 0.144 0.000 -0.146) 0.205 25.032 ( 0.332 0.000 0.295) 0.444 25.496 ( -0.160 0.000 0.159) 0.225 25.653 ( -1.327 0.000 0.221) 1.345 26.432 ( 0.308 0.000 -1.452) 1.484 26.445 ( 1.865 0.000 0.825) 2.039 28.911 ( -1.039 0.000 -0.741) 1.276 29.081 ( -2.277 0.000 1.794) 2.899 29.411 ( 4.757 0.000 -1.564) 5.008 30.509 ( -5.947 0.000 -2.413) 6.418 30.916 ( 4.517 0.000 5.715) 7.284 31.467 ( 12.583 0.000 18.023) 21.981 32.794 ( -1.947 0.000 -2.348) 3.050 32.944 ( 0.058 0.000 -0.122) 0.135 32.969 ( -0.517 0.000 0.135) 0.535 33.218 ( -5.830 0.000 2.352) 6.286 33.278 ( 11.861 0.000 5.090) 12.907 33.716 ( 6.422 0.000 -4.960) 8.115 34.188 ( -6.308 0.000 -3.394) 7.163 34.768 ( -0.216 0.000 -7.386) 7.389 42.297 ( 0.357 0.000 0.205) 0.412 42.387 ( 0.486 0.000 -0.420) 0.642 43.439 ( -1.342 0.000 4.320) 4.524 43.494 ( 2.234 0.000 -2.204) 3.138 50.618 ( 2.541 0.000 -1.817) 3.124 51.086 ( -0.177 0.000 0.960) 0.976 55.493 ( 12.446 0.000 32.586) 34.882 59.350 ( -8.127 0.000 -48.507) 49.183 ======================= Grid point 151 (69/104) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( 14.528 0.000 1.600) 14.616 1.737 ( -6.540 0.000 9.369) 11.426 1.905 ( 5.571 0.000 -9.731) 11.213 2.320 ( -3.535 0.000 8.019) 8.764 2.468 ( 7.270 0.000 -7.460) 10.416 2.595 ( 4.755 0.000 0.917) 4.842 2.616 ( -6.304 0.000 12.540) 14.036 2.718 ( -3.207 0.000 15.158) 15.494 2.907 ( -2.436 0.000 -4.329) 4.968 2.989 ( -4.865 0.000 -10.774) 11.821 3.082 ( -3.058 0.000 2.843) 4.175 3.123 ( 4.587 0.000 -1.310) 4.770 3.268 ( 3.719 0.000 -3.322) 4.987 3.364 ( -12.768 0.000 -1.661) 12.875 3.586 ( -4.427 0.000 -0.090) 4.428 3.601 ( -10.170 0.000 -9.703) 14.057 3.817 ( -7.067 0.000 2.360) 7.451 3.962 ( -8.797 0.000 -1.257) 8.886 4.358 ( 8.299 0.000 -3.912) 9.175 4.434 ( 7.861 0.000 -0.072) 7.861 4.446 ( -3.942 0.000 4.983) 6.354 4.773 ( 0.529 0.000 -3.676) 3.714 4.813 ( -9.296 0.000 8.584) 12.653 5.018 ( -6.953 0.000 -11.558) 13.488 5.034 ( -2.206 0.000 7.006) 7.345 5.047 ( 5.537 0.000 -1.727) 5.800 5.294 ( 0.358 0.000 -1.643) 1.681 5.330 ( -6.624 0.000 5.482) 8.598 5.388 ( 0.336 0.000 -0.618) 0.703 5.435 ( -2.994 0.000 1.753) 3.470 5.783 ( -11.574 0.000 7.047) 13.551 5.886 ( 0.549 0.000 -9.321) 9.337 6.280 ( 0.055 0.000 0.823) 0.825 6.543 ( -0.506 0.000 -7.836) 7.852 6.881 ( 5.401 0.000 0.334) 5.411 6.921 ( -1.034 0.000 0.985) 1.428 7.021 ( -2.777 0.000 8.275) 8.728 7.167 ( -0.266 0.000 3.331) 3.341 7.232 ( 2.265 0.000 -7.637) 7.965 7.376 ( -0.997 0.000 -4.833) 4.935 7.535 ( 4.210 0.000 3.728) 5.623 7.644 ( 3.662 0.000 -0.921) 3.776 7.799 ( 9.975 0.000 -1.361) 10.067 8.060 ( -5.890 0.000 3.401) 6.801 8.457 ( 4.903 0.000 1.465) 5.117 8.514 ( 4.464 0.000 -4.058) 6.033 8.624 ( 8.094 0.000 1.410) 8.215 8.824 ( 5.818 0.000 -0.716) 5.862 11.363 ( -1.700 0.000 3.001) 3.449 11.541 ( -0.214 0.000 0.776) 0.805 11.578 ( -1.003 0.000 -0.098) 1.008 11.635 ( -5.365 0.000 -2.969) 6.132 11.700 ( -1.781 0.000 2.683) 3.220 11.888 ( -0.442 0.000 -5.240) 5.258 14.033 ( 5.283 0.000 1.107) 5.397 14.099 ( 4.695 0.000 -1.179) 4.841 14.825 ( 2.399 0.000 -2.532) 3.489 14.858 ( -2.901 0.000 3.331) 4.417 15.576 ( -3.400 0.000 1.346) 3.657 15.643 ( -2.733 0.000 -0.510) 2.780 15.840 ( -3.754 0.000 0.997) 3.884 15.840 ( 2.242 0.000 -6.318) 6.704 16.127 ( 0.330 0.000 1.123) 1.171 16.169 ( -0.509 0.000 2.656) 2.705 16.451 ( 2.065 0.000 9.047) 9.279 16.916 ( -1.262 0.000 -7.836) 7.937 17.652 ( 0.300 0.000 4.662) 4.671 17.733 ( 2.100 0.000 -1.749) 2.732 25.013 ( 0.374 0.000 0.086) 0.384 25.036 ( -0.071 0.000 -0.092) 0.116 25.503 ( 0.438 0.000 1.351) 1.420 25.621 ( -1.891 0.000 -0.690) 2.013 26.439 ( 1.409 0.000 -0.677) 1.563 26.476 ( 0.798 0.000 0.049) 0.799 28.906 ( 0.438 0.000 1.057) 1.144 29.041 ( -2.854 0.000 0.099) 2.855 29.523 ( 6.284 0.000 4.704) 7.849 30.287 ( -9.759 0.000 -11.323) 14.948 31.076 ( 5.136 0.000 9.694) 10.971 31.629 ( -1.122 0.000 -0.025) 1.122 32.790 ( 1.846 0.000 1.765) 2.554 32.946 ( 0.268 0.000 -0.036) 0.271 32.962 ( -0.419 0.000 0.094) 0.429 33.108 ( -6.324 0.000 -1.366) 6.470 33.569 ( 6.773 0.000 12.833) 14.511 33.780 ( 5.402 0.000 -4.926) 7.311 34.113 ( -0.265 0.000 2.568) 2.581 34.669 ( -1.661 0.000 -10.778) 10.905 42.312 ( 0.597 0.000 0.968) 1.138 42.384 ( -0.057 0.000 -1.135) 1.136 43.445 ( -1.680 0.000 3.593) 3.967 43.507 ( 1.584 0.000 -2.473) 2.937 50.689 ( 4.439 0.000 2.538) 5.113 51.044 ( -3.034 0.000 -3.238) 4.437 56.155 ( 9.004 0.000 59.426) 60.105 58.748 ( -5.193 0.000 -53.613) 53.864 ======================= Grid point 152 (70/104) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 1.531 0.000 11.627) 11.728 1.810 ( 11.156 0.000 14.658) 18.420 1.902 ( 3.399 0.000 -9.403) 9.998 2.156 ( -13.170 0.000 -10.993) 17.155 2.513 ( 4.458 0.000 0.975) 4.563 2.634 ( -1.731 0.000 4.321) 4.655 2.740 ( 6.554 0.000 3.632) 7.493 2.780 ( -2.257 0.000 -2.678) 3.502 2.832 ( -3.749 0.000 -3.665) 5.242 2.934 ( 3.904 0.000 20.634) 21.000 2.938 ( -8.592 0.000 -9.665) 12.932 3.135 ( -5.874 0.000 6.215) 8.552 3.224 ( -10.052 0.000 -6.235) 11.829 3.244 ( 9.730 0.000 -3.714) 10.415 3.588 ( 2.018 0.000 -0.878) 2.200 3.589 ( 10.082 0.000 1.066) 10.139 3.681 ( -3.109 0.000 -0.499) 3.149 3.778 ( -1.699 0.000 -11.476) 11.601 4.406 ( -4.743 0.000 3.247) 5.747 4.458 ( 4.981 0.000 -1.954) 5.351 4.611 ( 9.106 0.000 2.247) 9.379 4.698 ( -7.271 0.000 -1.098) 7.353 4.805 ( -7.436 0.000 -4.372) 8.626 4.815 ( 6.102 0.000 -0.564) 6.128 5.050 ( -2.911 0.000 4.455) 5.322 5.134 ( 6.307 0.000 -3.261) 7.100 5.254 ( -5.462 0.000 5.512) 7.760 5.321 ( 4.808 0.000 -0.224) 4.813 5.392 ( -2.950 0.000 0.166) 2.954 5.409 ( 2.696 0.000 -1.803) 3.243 5.687 ( -6.547 0.000 7.326) 9.825 5.864 ( 5.653 0.000 -8.013) 9.806 6.308 ( 0.687 0.000 3.873) 3.934 6.448 ( -1.130 0.000 -8.423) 8.498 6.922 ( -0.682 0.000 1.602) 1.741 6.934 ( 0.469 0.000 -0.168) 0.498 7.043 ( -2.955 0.000 7.872) 8.408 7.193 ( 1.887 0.000 -2.652) 3.254 7.225 ( 1.588 0.000 -0.262) 1.610 7.313 ( -0.967 0.000 -5.022) 5.114 7.620 ( 1.166 0.000 2.831) 3.061 7.678 ( 1.295 0.000 -2.579) 2.886 7.935 ( -10.057 0.000 2.315) 10.320 7.960 ( 8.019 0.000 -0.181) 8.021 8.488 ( -2.569 0.000 2.630) 3.676 8.544 ( 1.479 0.000 -2.808) 3.174 8.771 ( 3.870 0.000 2.877) 4.822 8.832 ( -3.485 0.000 -2.856) 4.506 11.409 ( 3.048 0.000 4.757) 5.650 11.504 ( -3.144 0.000 -4.186) 5.236 11.555 ( 0.713 0.000 0.636) 0.956 11.572 ( -0.282 0.000 -1.115) 1.150 11.714 ( -0.282 0.000 4.738) 4.746 11.823 ( -0.877 0.000 -5.695) 5.762 14.099 ( 0.383 0.000 1.353) 1.406 14.129 ( -0.297 0.000 -1.525) 1.554 14.820 ( -3.431 0.000 1.944) 3.944 14.855 ( 2.995 0.000 -1.450) 3.327 15.565 ( 0.725 0.000 1.973) 2.102 15.603 ( -0.275 0.000 -1.480) 1.506 15.780 ( -3.806 0.000 1.486) 4.086 15.841 ( 3.080 0.000 -4.393) 5.365 16.152 ( 1.331 0.000 0.819) 1.562 16.156 ( -1.494 0.000 0.456) 1.562 16.596 ( 2.802 0.000 10.808) 11.165 16.815 ( -1.010 0.000 -10.134) 10.184 17.683 ( -1.173 0.000 3.974) 4.143 17.746 ( 1.150 0.000 -2.171) 2.457 25.022 ( 0.426 0.000 0.297) 0.519 25.028 ( -0.459 0.000 -0.314) 0.556 25.539 ( 1.724 0.000 1.985) 2.630 25.577 ( -1.582 0.000 -1.615) 2.261 26.464 ( 1.278 0.000 0.079) 1.281 26.469 ( -1.251 0.000 -0.473) 1.337 28.946 ( 2.268 0.000 2.096) 3.088 28.985 ( -2.258 0.000 -1.552) 2.740 29.732 ( 8.694 0.000 10.584) 13.697 29.984 ( -10.168 0.000 -13.625) 17.001 31.271 ( 4.249 0.000 13.311) 13.973 31.508 ( -6.456 0.000 -8.280) 10.499 32.886 ( 5.119 0.000 4.135) 6.581 32.952 ( 0.378 0.000 -0.205) 0.430 32.957 ( -0.035 0.000 -0.021) 0.041 32.974 ( -5.302 0.000 -3.629) 6.425 33.687 ( -3.235 0.000 8.136) 8.755 33.824 ( 4.187 0.000 -4.898) 6.443 34.237 ( 5.563 0.000 10.405) 11.799 34.506 ( -3.379 0.000 -14.645) 15.030 42.334 ( 0.575 0.000 1.417) 1.530 42.365 ( -0.531 0.000 -1.545) 1.634 43.447 ( -1.550 0.000 3.360) 3.701 43.509 ( 1.243 0.000 -2.587) 2.870 50.814 ( 5.047 0.000 5.154) 7.214 50.927 ( -4.975 0.000 -5.573) 7.470 56.847 ( 4.927 0.000 64.445) 64.633 58.196 ( 2.742 0.000 -63.533) 63.592 ======================= Grid point 153 (71/104) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -21.362 0.000 -19.332) 28.811 1.717 ( -4.260 0.000 8.106) 9.157 1.952 ( 5.141 0.000 -11.592) 12.681 2.176 ( 7.633 0.000 14.622) 16.494 2.519 ( -6.960 0.000 -6.286) 9.379 2.625 ( -5.750 0.000 -2.873) 6.428 2.626 ( -3.857 0.000 10.623) 11.301 2.780 ( 3.937 0.000 -6.735) 7.801 2.860 ( 1.242 0.000 4.608) 4.773 2.996 ( 8.548 0.000 9.101) 12.485 3.032 ( -3.206 0.000 1.399) 3.498 3.095 ( -2.038 0.000 -1.964) 2.830 3.181 ( 2.176 0.000 11.691) 11.892 3.405 ( 14.245 0.000 -4.814) 15.037 3.511 ( 0.065 0.000 -2.003) 2.004 3.695 ( 9.627 0.000 -11.584) 15.062 3.848 ( 12.037 0.000 -2.085) 12.217 3.874 ( 14.025 0.000 5.218) 14.964 4.319 ( -6.733 0.000 0.177) 6.735 4.517 ( -7.028 0.000 -7.990) 10.641 4.520 ( 3.625 0.000 -2.067) 4.172 4.709 ( -1.992 0.000 3.282) 3.839 4.800 ( 8.393 0.000 4.104) 9.343 4.965 ( 10.173 0.000 -2.833) 10.560 5.006 ( -3.578 0.000 3.672) 5.127 5.187 ( 1.754 0.000 -6.075) 6.323 5.248 ( 0.458 0.000 1.631) 1.695 5.358 ( 0.897 0.000 1.337) 1.611 5.417 ( 1.253 0.000 2.552) 2.843 5.458 ( 6.821 0.000 -5.228) 8.594 5.672 ( -3.571 0.000 10.156) 10.766 5.956 ( 13.061 0.000 -8.478) 15.571 6.363 ( -0.378 0.000 -6.540) 6.551 6.373 ( 0.682 0.000 7.100) 7.133 6.894 ( -3.841 0.000 -0.697) 3.904 6.921 ( -1.198 0.000 0.529) 1.309 7.058 ( -3.336 0.000 8.794) 9.406 7.180 ( 1.874 0.000 -6.908) 7.157 7.254 ( -0.648 0.000 -4.496) 4.543 7.279 ( 1.368 0.000 4.421) 4.628 7.624 ( -2.433 0.000 0.976) 2.622 7.625 ( -4.053 0.000 -4.448) 6.017 7.772 ( -8.100 0.000 1.300) 8.204 8.075 ( 3.324 0.000 2.009) 3.884 8.432 ( -5.876 0.000 3.349) 6.764 8.487 ( -6.782 0.000 -1.715) 6.996 8.671 ( -8.912 0.000 -2.941) 9.385 8.793 ( -3.858 0.000 2.293) 4.488 11.440 ( 0.272 0.000 -4.173) 4.182 11.550 ( 6.822 0.000 4.642) 8.251 11.564 ( 0.760 0.000 -1.522) 1.701 11.575 ( 0.759 0.000 0.671) 1.013 11.766 ( -0.209 0.000 -3.863) 3.869 11.770 ( 0.960 0.000 5.714) 5.794 14.062 ( -5.184 0.000 -1.627) 5.433 14.072 ( -4.359 0.000 1.382) 4.573 14.774 ( -3.843 0.000 2.403) 4.532 14.907 ( 3.826 0.000 -1.414) 4.079 15.614 ( 3.176 0.000 -2.071) 3.792 15.630 ( 4.009 0.000 1.058) 4.146 15.734 ( -3.285 0.000 3.595) 4.870 15.872 ( 3.622 0.000 -2.381) 4.335 16.138 ( -0.520 0.000 0.002) 0.520 16.187 ( 1.664 0.000 0.488) 1.734 16.689 ( -1.359 0.000 -12.731) 12.804 16.740 ( 2.886 0.000 9.292) 9.730 17.685 ( -2.098 0.000 3.121) 3.761 17.731 ( -0.310 0.000 -2.944) 2.960 25.016 ( -0.530 0.000 -0.255) 0.588 25.031 ( 0.228 0.000 0.316) 0.390 25.539 ( -0.652 0.000 -2.008) 2.111 25.596 ( 2.275 0.000 1.781) 2.889 26.432 ( -2.116 0.000 -0.083) 2.118 26.476 ( -0.122 0.000 0.013) 0.123 28.938 ( -1.045 0.000 -1.918) 2.185 29.022 ( 3.687 0.000 1.948) 4.170 29.685 ( -9.590 0.000 -11.070) 14.646 30.025 ( 10.721 0.000 13.604) 17.321 31.283 ( -8.355 0.000 -9.404) 12.579 31.461 ( 2.217 0.000 14.508) 14.677 32.854 ( -3.242 0.000 -4.261) 5.354 32.944 ( -0.253 0.000 0.233) 0.344 32.962 ( 0.469 0.000 0.108) 0.481 33.055 ( 7.720 0.000 3.655) 8.541 33.661 ( -5.908 0.000 6.518) 8.798 33.830 ( 1.908 0.000 -8.278) 8.495 34.285 ( -4.728 0.000 -15.742) 16.436 34.438 ( 4.700 0.000 10.961) 11.926 42.338 ( -0.824 0.000 -1.528) 1.736 42.357 ( 0.361 0.000 1.436) 1.480 43.448 ( -1.705 0.000 3.204) 3.629 43.509 ( 1.356 0.000 -2.497) 2.842 50.773 ( -5.819 0.000 -5.531) 8.028 50.953 ( 4.455 0.000 5.356) 6.967 57.536 ( 7.342 0.000 62.573) 63.002 57.633 ( 4.547 0.000 -79.253) 79.383 ======================= Grid point 154 (72/104) ======================= q-point: (-0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( -20.044 0.000 -5.942) 20.906 1.623 ( -14.898 0.000 7.346) 16.611 1.961 ( 5.305 0.000 -8.571) 10.080 2.262 ( -7.056 0.000 2.683) 7.549 2.369 ( -2.825 0.000 -3.824) 4.755 2.449 ( -24.204 0.000 16.735) 29.426 2.571 ( 0.497 0.000 -0.197) 0.534 2.862 ( 1.239 0.000 -0.801) 1.476 2.962 ( 11.608 0.000 0.939) 11.646 3.011 ( -0.910 0.000 -9.552) 9.595 3.142 ( 2.784 0.000 1.725) 3.275 3.162 ( -4.814 0.000 -0.055) 4.814 3.244 ( 18.916 0.000 5.138) 19.601 3.641 ( 13.299 0.000 0.643) 13.315 3.752 ( 17.224 0.000 6.367) 18.363 3.836 ( 12.580 0.000 -8.041) 14.931 3.973 ( 3.085 0.000 -7.561) 8.166 4.160 ( 12.274 0.000 1.501) 12.366 4.225 ( 0.809 0.000 0.909) 1.217 4.341 ( -4.323 0.000 -5.259) 6.808 4.541 ( 0.906 0.000 -2.628) 2.780 4.769 ( 3.648 0.000 3.484) 5.044 4.882 ( -4.037 0.000 5.214) 6.594 5.052 ( 7.582 0.000 -3.293) 8.266 5.103 ( -3.048 0.000 -5.833) 6.582 5.157 ( 11.093 0.000 -1.659) 11.217 5.254 ( -1.800 0.000 2.647) 3.201 5.440 ( 5.090 0.000 -1.168) 5.222 5.441 ( 0.522 0.000 0.463) 0.698 5.507 ( 4.229 0.000 -4.696) 6.320 5.752 ( 1.231 0.000 11.506) 11.572 6.172 ( 17.701 0.000 -8.985) 19.851 6.324 ( 1.390 0.000 -3.723) 3.974 6.452 ( 0.016 0.000 8.312) 8.312 6.760 ( -8.731 0.000 -1.798) 8.914 6.930 ( 1.493 0.000 2.029) 2.519 7.089 ( -2.591 0.000 9.414) 9.764 7.134 ( -0.700 0.000 -5.658) 5.701 7.208 ( -0.151 0.000 -3.456) 3.459 7.351 ( 2.154 0.000 4.487) 4.977 7.484 ( -6.266 0.000 -2.312) 6.679 7.566 ( -4.071 0.000 0.462) 4.097 7.668 ( -2.452 0.000 -4.024) 4.712 8.117 ( -1.072 0.000 3.170) 3.346 8.248 ( -16.039 0.000 0.266) 16.041 8.360 ( -5.488 0.000 5.620) 7.855 8.520 ( -6.096 0.000 -1.178) 6.209 8.694 ( -7.030 0.000 -0.529) 7.050 11.427 ( 1.399 0.000 -2.429) 2.803 11.579 ( 2.463 0.000 -1.381) 2.824 11.593 ( 0.663 0.000 0.246) 0.707 11.703 ( 4.886 0.000 3.147) 5.812 11.748 ( 0.778 0.000 -1.530) 1.716 11.850 ( 2.378 0.000 4.891) 5.439 13.929 ( -7.066 0.000 -1.497) 7.223 13.980 ( -6.368 0.000 0.816) 6.420 14.714 ( -6.136 0.000 3.991) 7.320 14.953 ( 2.831 0.000 -3.493) 4.496 15.671 ( 4.473 0.000 -1.897) 4.859 15.675 ( -0.291 0.000 0.997) 1.039 15.767 ( 2.810 0.000 4.157) 5.018 15.926 ( 3.876 0.000 -1.246) 4.071 16.138 ( 0.533 0.000 -0.338) 0.632 16.207 ( 0.229 0.000 -2.691) 2.701 16.539 ( -1.350 0.000 -12.624) 12.697 16.874 ( 3.509 0.000 7.194) 8.004 17.667 ( -2.314 0.000 2.218) 3.206 17.680 ( -1.894 0.000 -3.712) 4.168 25.007 ( -0.285 0.000 -0.039) 0.288 25.035 ( -0.076 0.000 0.067) 0.101 25.515 ( -0.245 0.000 -1.651) 1.669 25.644 ( 1.434 0.000 1.136) 1.829 26.406 ( -0.914 0.000 1.005) 1.359 26.460 ( -1.218 0.000 -0.641) 1.376 28.915 ( -0.006 0.000 -1.068) 1.068 29.103 ( 3.588 0.000 0.113) 3.590 29.442 ( -8.618 0.000 -4.963) 9.945 30.345 ( 10.374 0.000 11.858) 15.756 31.058 ( -7.151 0.000 -7.431) 10.313 31.602 ( 0.678 0.000 8.627) 8.653 32.789 ( -0.489 0.000 -1.899) 1.961 32.941 ( -0.131 0.000 0.122) 0.179 32.972 ( 0.526 0.000 0.038) 0.528 33.228 ( 8.092 0.000 1.376) 8.208 33.604 ( -6.382 0.000 5.941) 8.720 33.629 ( -9.455 0.000 -26.487) 28.124 34.143 ( 0.344 0.000 -1.296) 1.341 34.595 ( 2.456 0.000 8.889) 9.222 42.311 ( -0.811 0.000 -1.056) 1.331 42.372 ( 0.008 0.000 1.020) 1.020 43.441 ( -2.191 0.000 2.911) 3.644 43.515 ( 1.820 0.000 -2.654) 3.218 50.629 ( -5.123 0.000 -2.903) 5.889 51.061 ( 2.700 0.000 3.163) 4.159 56.809 ( -10.506 0.000 -93.830) 94.416 58.245 ( 8.510 0.000 58.075) 58.695 ======================= Grid point 155 (73/104) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -2.238 0.000 33.182) 33.257 1.346 ( -23.041 0.000 13.913) 26.916 1.972 ( 0.755 0.000 -3.474) 3.555 1.999 ( -16.636 0.000 -8.468) 18.667 2.132 ( -28.082 0.000 22.109) 35.741 2.322 ( 1.113 0.000 -3.790) 3.950 2.631 ( 4.814 0.000 2.170) 5.281 2.825 ( -2.783 0.000 -1.681) 3.252 2.937 ( 3.142 0.000 -6.610) 7.319 3.080 ( -3.889 0.000 0.191) 3.894 3.234 ( 15.344 0.000 -1.550) 15.422 3.236 ( 6.570 0.000 2.557) 7.050 3.657 ( 14.742 0.000 -0.381) 14.747 3.767 ( -0.074 0.000 -6.043) 6.043 3.872 ( 8.079 0.000 3.285) 8.721 4.021 ( 4.254 0.000 -6.156) 7.483 4.036 ( 9.137 0.000 -3.449) 9.767 4.319 ( 6.731 0.000 -1.715) 6.946 4.339 ( 9.738 0.000 -5.478) 11.173 4.348 ( 6.611 0.000 2.565) 7.091 4.520 ( -1.156 0.000 -0.605) 1.305 4.844 ( 0.997 0.000 1.263) 1.609 4.845 ( -4.965 0.000 5.527) 7.430 5.013 ( -1.893 0.000 -2.314) 2.989 5.076 ( -0.992 0.000 -4.527) 4.634 5.252 ( -0.956 0.000 4.224) 4.331 5.292 ( 8.377 0.000 -9.389) 12.583 5.448 ( 1.003 0.000 -0.989) 1.408 5.488 ( 0.756 0.000 0.438) 0.874 5.594 ( 7.843 0.000 -1.998) 8.094 5.886 ( 1.886 0.000 10.963) 11.124 6.347 ( 3.096 0.000 -0.529) 3.140 6.381 ( 10.769 0.000 -6.419) 12.537 6.526 ( 1.788 0.000 5.449) 5.735 6.606 ( -5.591 0.000 1.717) 5.848 6.999 ( 2.198 0.000 1.218) 2.513 7.073 ( 0.993 0.000 -3.458) 3.597 7.109 ( -2.873 0.000 4.775) 5.573 7.212 ( 1.737 0.000 2.074) 2.705 7.376 ( -3.746 0.000 -0.573) 3.790 7.443 ( 3.642 0.000 3.249) 4.881 7.503 ( -3.854 0.000 2.427) 4.555 7.609 ( 1.858 0.000 -7.268) 7.502 7.994 ( -12.446 0.000 4.787) 13.335 8.106 ( -1.432 0.000 0.241) 1.452 8.375 ( -1.168 0.000 9.914) 9.983 8.401 ( -6.735 0.000 0.608) 6.762 8.564 ( -2.577 0.000 -2.922) 3.896 11.448 ( 2.392 0.000 -0.558) 2.456 11.594 ( -0.444 0.000 -1.114) 1.200 11.626 ( 3.038 0.000 0.188) 3.044 11.759 ( 0.874 0.000 -0.007) 0.874 11.779 ( 1.636 0.000 1.143) 1.995 11.927 ( 1.742 0.000 1.759) 2.476 13.801 ( -5.232 0.000 -0.516) 5.257 13.870 ( -5.508 0.000 -0.270) 5.515 14.610 ( -10.044 0.000 5.160) 11.292 14.881 ( -6.078 0.000 -13.539) 14.840 15.680 ( -0.682 0.000 2.301) 2.400 15.707 ( 0.339 0.000 -3.856) 3.871 15.855 ( 2.844 0.000 2.357) 3.694 15.968 ( 1.488 0.000 -5.075) 5.289 16.077 ( -5.399 0.000 -7.111) 8.928 16.145 ( 0.640 0.000 -0.798) 1.023 16.511 ( 5.550 0.000 0.550) 5.577 16.997 ( 3.676 0.000 4.682) 5.952 17.600 ( -2.765 0.000 -3.681) 4.604 17.645 ( -2.004 0.000 1.784) 2.683 25.005 ( 0.019 0.000 0.144) 0.145 25.030 ( -0.288 0.000 -0.334) 0.441 25.497 ( -0.514 0.000 -0.695) 0.864 25.672 ( 0.838 0.000 0.527) 0.989 26.416 ( 0.443 0.000 1.618) 1.678 26.431 ( -0.654 0.000 -1.081) 1.264 28.918 ( 0.564 0.000 0.659) 0.867 29.135 ( 0.531 0.000 -2.057) 2.124 29.291 ( -5.808 0.000 1.189) 5.929 30.572 ( 4.785 0.000 4.369) 6.480 30.897 ( -4.050 0.000 -5.134) 6.539 31.460 ( -17.998 0.000 -31.055) 35.893 32.806 ( 2.057 0.000 2.141) 2.969 32.942 ( 0.083 0.000 0.161) 0.181 32.980 ( 0.298 0.000 -0.336) 0.449 33.126 ( -14.532 0.000 -11.736) 18.679 33.358 ( 6.040 0.000 -2.405) 6.501 33.537 ( -6.404 0.000 4.941) 8.089 34.252 ( 7.472 0.000 7.802) 10.803 34.690 ( 0.197 0.000 6.724) 6.727 42.293 ( -0.389 0.000 -0.230) 0.452 42.374 ( -0.414 0.000 0.304) 0.514 43.420 ( -2.697 0.000 2.459) 3.649 43.514 ( 0.986 0.000 -4.850) 4.949 50.550 ( -2.566 0.000 1.694) 3.075 51.099 ( -0.038 0.000 -0.952) 0.952 55.639 ( -27.166 0.000 -57.504) 63.598 58.827 ( -2.383 0.000 50.848) 50.904 ======================= Grid point 156 (74/104) ======================= q-point: (-0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( -15.318 0.000 24.305) 28.729 1.329 ( -6.160 0.000 34.590) 35.134 1.662 ( -5.410 0.000 -10.761) 12.044 1.882 ( -16.991 0.000 38.584) 42.160 1.939 ( -2.947 0.000 -8.126) 8.644 2.340 ( 3.434 0.000 -0.964) 3.567 2.745 ( 5.111 0.000 0.521) 5.138 2.773 ( -1.168 0.000 -1.106) 1.609 3.029 ( 6.556 0.000 -1.343) 6.692 3.038 ( -1.796 0.000 2.531) 3.104 3.334 ( 1.461 0.000 -11.637) 11.729 3.404 ( 5.938 0.000 5.285) 7.949 3.679 ( 6.803 0.000 1.707) 7.013 3.906 ( -1.314 0.000 -0.138) 1.322 3.951 ( -1.321 0.000 -5.017) 5.188 4.019 ( 4.084 0.000 -17.532) 18.001 4.099 ( 13.223 0.000 -3.126) 13.587 4.402 ( 0.332 0.000 -3.300) 3.317 4.457 ( 3.931 0.000 0.048) 3.931 4.479 ( 8.969 0.000 2.453) 9.298 4.489 ( -2.202 0.000 0.849) 2.360 4.782 ( -9.628 0.000 7.887) 12.446 4.861 ( 1.431 0.000 0.797) 1.638 4.995 ( -0.684 0.000 3.029) 3.105 5.012 ( 0.499 0.000 -4.547) 4.574 5.300 ( 1.066 0.000 4.173) 4.307 5.303 ( 4.549 0.000 -13.439) 14.188 5.454 ( 1.552 0.000 -3.782) 4.088 5.510 ( 2.533 0.000 1.177) 2.793 5.681 ( 2.223 0.000 -1.730) 2.817 6.076 ( 7.391 0.000 11.696) 13.835 6.430 ( 4.509 0.000 3.120) 5.483 6.432 ( 1.469 0.000 -4.112) 4.367 6.594 ( 0.126 0.000 1.662) 1.666 6.616 ( 1.076 0.000 8.096) 8.167 6.979 ( -0.568 0.000 -2.843) 2.900 7.093 ( -1.490 0.000 1.850) 2.375 7.140 ( 4.612 0.000 -3.858) 6.013 7.276 ( 1.941 0.000 3.604) 4.093 7.376 ( 5.036 0.000 1.763) 5.336 7.458 ( -6.174 0.000 6.142) 8.709 7.516 ( 1.445 0.000 -1.142) 1.842 7.622 ( 6.092 0.000 -1.774) 6.345 7.927 ( -1.182 0.000 9.796) 9.868 8.102 ( 2.745 0.000 -1.974) 3.381 8.281 ( -7.733 0.000 1.810) 7.942 8.301 ( -7.253 0.000 -5.202) 8.926 8.698 ( 10.351 0.000 -5.813) 11.872 11.500 ( 2.871 0.000 0.769) 2.972 11.560 ( -0.664 0.000 -1.707) 1.832 11.688 ( 2.333 0.000 2.155) 3.176 11.773 ( 0.185 0.000 0.796) 0.817 11.797 ( 0.364 0.000 -0.646) 0.742 11.920 ( -2.141 0.000 -2.603) 3.370 13.749 ( -0.852 0.000 1.645) 1.853 13.786 ( -2.418 0.000 -1.419) 2.803 14.368 ( -26.482 0.000 -14.131) 30.016 14.438 ( -12.992 0.000 3.932) 13.574 15.624 ( -1.258 0.000 -0.917) 1.557 15.683 ( -1.461 0.000 1.962) 2.446 15.907 ( 1.001 0.000 1.255) 1.605 15.922 ( 1.203 0.000 -2.139) 2.454 16.059 ( 0.767 0.000 1.842) 1.996 16.142 ( 0.052 0.000 -1.290) 1.291 16.702 ( 11.057 0.000 4.509) 11.941 17.068 ( 0.145 0.000 0.989) 1.000 17.535 ( -0.628 0.000 -1.759) 1.868 17.624 ( -2.169 0.000 1.079) 2.422 25.008 ( 0.041 0.000 0.201) 0.205 25.021 ( -0.184 0.000 -0.512) 0.544 25.490 ( 0.287 0.000 0.378) 0.475 25.662 ( -2.429 0.000 -2.235) 3.301 26.425 ( 0.923 0.000 -0.841) 1.249 26.437 ( 0.016 0.000 1.312) 1.312 28.949 ( 1.203 0.000 3.101) 3.326 29.115 ( -0.789 0.000 1.496) 1.691 29.220 ( -3.615 0.000 -0.310) 3.628 30.131 ( -51.644 0.000 -38.503) 64.418 30.718 ( -6.463 0.000 3.594) 7.395 30.812 ( -0.774 0.000 -4.021) 4.095 32.882 ( 2.686 0.000 4.014) 4.830 32.946 ( 0.107 0.000 0.150) 0.184 33.016 ( 1.651 0.000 2.899) 3.336 33.140 ( 10.427 0.000 8.698) 13.579 33.383 ( 0.101 0.000 -5.862) 5.863 33.468 ( -4.561 0.000 2.902) 5.405 34.531 ( 14.102 0.000 5.261) 15.052 34.726 ( -2.275 0.000 5.078) 5.564 42.294 ( 0.331 0.000 0.640) 0.720 42.362 ( -0.781 0.000 -0.493) 0.924 43.389 ( -2.742 0.000 1.910) 3.342 43.443 ( -2.532 0.000 -5.196) 5.780 50.574 ( 1.135 0.000 6.545) 6.643 51.036 ( -3.062 0.000 -6.016) 6.750 55.836 ( 77.880 0.000 43.945) 89.423 58.948 ( -32.656 0.000 37.662) 49.848 ======================= Grid point 157 (75/104) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -8.091 8.588 21.570) 24.587 1.478 ( -5.977 14.437 24.234) 28.835 1.670 ( 12.075 2.116 -10.709) 16.278 1.915 ( 1.449 7.648 -13.388) 15.487 2.342 ( 0.470 10.944 14.739) 18.364 2.434 ( 4.243 1.927 -2.092) 5.109 2.780 ( -1.547 -4.852 3.394) 6.120 2.863 ( 1.548 6.388 -4.761) 8.116 3.053 ( 4.926 3.376 12.122) 13.513 3.118 ( 2.500 5.722 8.483) 10.533 3.238 ( -2.239 4.068 -7.152) 8.527 3.485 ( -9.713 4.548 -10.306) 14.874 3.779 ( -2.034 -1.838 -1.049) 2.935 3.833 ( 4.036 -4.249 -3.063) 6.612 3.996 ( 2.668 12.971 -5.775) 14.447 4.023 ( -0.376 12.279 -7.308) 14.294 4.150 ( 4.995 -7.932 0.305) 9.379 4.202 ( -8.220 -5.426 -4.533) 10.842 4.403 ( 1.363 -5.118 0.897) 5.372 4.440 ( -1.140 -5.166 -2.837) 6.003 4.706 ( -6.779 5.634 11.521) 14.506 4.869 ( 0.663 12.215 4.303) 12.968 4.931 ( 3.249 2.032 0.939) 3.946 5.024 ( 3.194 0.414 0.796) 3.317 5.057 ( 1.723 5.364 -4.995) 7.530 5.173 ( 1.715 -4.599 -10.774) 11.839 5.347 ( -2.850 0.044 5.161) 5.896 5.436 ( -1.180 2.190 -2.282) 3.376 5.614 ( -2.339 0.095 2.450) 3.389 5.707 ( 7.428 2.458 -6.238) 10.006 6.130 ( 5.569 -13.236 8.509) 16.692 6.305 ( -1.957 -10.097 -8.480) 13.331 6.458 ( -1.635 -1.543 4.838) 5.335 6.505 ( 1.829 -0.730 -0.078) 1.971 6.741 ( -3.194 -3.775 5.553) 7.435 6.840 ( 0.717 -8.360 -4.026) 9.307 7.089 ( -0.012 -1.830 3.117) 3.615 7.145 ( 0.576 -4.721 -1.275) 4.924 7.266 ( -2.786 -10.206 6.180) 12.252 7.329 ( 3.590 -3.413 5.462) 7.373 7.376 ( -0.838 -19.889 -1.621) 19.972 7.423 ( -0.087 -5.465 1.157) 5.587 7.457 ( -7.599 -10.333 0.861) 12.856 7.543 ( 4.405 -5.534 -4.765) 8.529 8.054 ( 5.626 6.890 7.349) 11.538 8.208 ( -4.555 6.234 -7.383) 10.683 8.841 ( 5.319 27.018 15.687) 31.691 9.207 ( -8.208 23.270 -19.514) 31.459 11.571 ( -0.644 2.116 0.535) 2.276 11.580 ( 1.074 1.348 -0.336) 1.756 11.767 ( -1.017 0.103 0.905) 1.366 11.772 ( 2.109 0.390 0.802) 2.289 11.808 ( 1.816 4.071 2.474) 5.098 11.898 ( -4.906 9.484 -5.787) 12.146 14.051 ( 4.032 0.217 2.809) 4.919 14.099 ( 0.461 -4.379 -1.442) 4.634 14.167 ( -8.997 17.418 7.329) 20.930 14.425 ( 2.822 40.103 -19.884) 44.851 15.524 ( 2.158 -6.281 0.116) 6.642 15.532 ( -0.038 -7.453 -0.580) 7.475 15.996 ( 4.494 -1.780 1.072) 4.951 16.021 ( -4.220 0.256 -1.304) 4.424 16.103 ( -4.757 4.484 0.833) 6.590 16.116 ( 4.901 1.983 -0.419) 5.304 16.953 ( 9.223 2.856 4.592) 10.692 17.040 ( -7.612 4.091 -3.743) 9.418 17.572 ( -3.574 0.179 0.355) 3.596 17.603 ( 3.539 2.063 -3.284) 5.250 25.360 ( -1.025 26.644 5.790) 27.285 25.493 ( 3.512 16.317 -5.550) 17.589 25.594 ( 5.607 8.912 4.036) 11.276 25.791 ( -11.926 38.951 -19.974) 45.369 26.407 ( -0.255 -1.637 0.639) 1.776 26.423 ( 0.310 -0.555 -1.032) 1.212 28.748 ( 5.621 -17.293 9.224) 20.390 28.950 ( -6.406 -12.192 -9.882) 16.951 29.462 ( 3.174 15.413 2.967) 16.014 29.535 ( -4.744 11.954 -4.067) 13.489 30.652 ( -1.525 -4.550 4.239) 6.403 30.740 ( 1.928 -4.632 -4.328) 6.626 32.956 ( 1.260 1.740 2.263) 3.121 32.982 ( -0.528 3.056 -0.641) 3.167 33.165 ( 2.671 5.058 7.764) 9.643 33.313 ( -4.841 2.658 -3.935) 6.781 33.363 ( 8.630 -2.672 0.357) 9.042 33.390 ( -2.356 0.178 -4.348) 4.949 34.567 ( 7.653 -16.057 3.816) 18.193 34.586 ( -5.296 -9.695 0.828) 11.078 42.428 ( -0.989 7.986 0.249) 8.051 42.453 ( 0.786 10.960 -2.693) 11.313 43.327 ( -1.731 -3.218 1.603) 3.990 43.361 ( 1.178 -3.243 -1.609) 3.807 51.245 ( 0.772 46.179 -1.113) 46.199 51.321 ( -3.099 39.365 -6.499) 40.018 57.691 ( 90.917 -55.098 9.309) 106.716 57.744 ( -48.160 -42.156 1.836) 64.031 ======================= Grid point 158 (76/104) ======================= q-point: ( 0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( 3.268 9.605 17.037) 19.829 1.668 ( 6.267 0.069 -18.493) 19.526 1.762 ( 7.533 12.657 17.037) 22.521 2.017 ( 16.083 5.302 -15.844) 23.190 2.370 ( -2.891 2.727 0.023) 3.974 2.448 ( 0.406 -1.609 -5.086) 5.349 2.744 ( -3.615 -1.459 3.196) 5.041 2.843 ( -0.924 1.793 -1.235) 2.365 3.111 ( -6.295 7.958 -13.586) 16.957 3.184 ( -0.857 6.391 -2.229) 6.823 3.211 ( 2.621 6.136 1.874) 6.930 3.449 ( 8.868 8.668 26.077) 28.876 3.637 ( -8.952 1.744 -2.460) 9.446 3.786 ( -10.777 11.970 -5.545) 17.034 3.912 ( 1.977 -1.836 -1.232) 2.966 3.951 ( -13.130 -4.247 -1.010) 13.836 4.086 ( 2.692 6.462 -1.970) 7.272 4.227 ( 0.725 -5.661 2.154) 6.100 4.324 ( -5.984 -5.779 0.200) 8.321 4.511 ( 5.275 -2.001 -0.289) 5.649 4.696 ( -1.589 9.596 4.738) 10.820 4.902 ( -4.183 8.810 8.154) 12.713 4.941 ( -5.184 0.338 4.009) 6.562 4.997 ( 0.802 4.666 -8.926) 10.104 5.089 ( 7.514 -0.661 -10.253) 12.729 5.179 ( 5.465 -0.135 -3.107) 6.289 5.340 ( -2.390 0.379 3.760) 4.471 5.380 ( -4.859 3.298 3.386) 6.779 5.547 ( -3.115 -1.423 -2.459) 4.216 5.750 ( 1.391 1.613 -5.972) 6.340 6.175 ( -1.838 -11.302 -11.026) 15.897 6.243 ( -1.945 -10.386 5.570) 11.945 6.393 ( -5.629 -2.575 0.805) 6.242 6.564 ( 2.519 -0.097 -0.547) 2.580 6.754 ( -0.301 -10.136 7.254) 12.468 6.804 ( -2.233 -3.827 -3.137) 5.429 7.070 ( -5.496 -2.181 2.499) 6.420 7.118 ( -0.941 -3.305 -3.815) 5.134 7.257 ( -1.245 -11.249 1.332) 11.396 7.263 ( -4.121 -4.344 5.776) 8.320 7.329 ( -3.138 -10.940 -4.344) 12.182 7.448 ( 2.436 -7.386 -0.134) 7.779 7.510 ( 5.852 -4.327 1.208) 7.378 7.718 ( 11.821 -9.765 2.142) 15.482 8.084 ( -0.548 5.303 -7.159) 8.926 8.252 ( 8.630 5.227 5.730) 11.604 8.653 ( -17.455 27.682 -2.377) 32.812 9.182 ( -0.031 23.025 5.581) 23.692 11.537 ( -1.774 1.298 0.209) 2.208 11.568 ( -2.412 3.140 -0.408) 3.981 11.739 ( -2.488 0.114 -1.160) 2.748 11.779 ( -1.339 -0.267 -0.303) 1.398 11.787 ( -2.197 3.730 -1.750) 4.670 11.908 ( 3.410 7.786 5.734) 10.254 13.930 ( -5.679 6.506 -0.739) 8.668 14.015 ( -4.487 2.433 -0.295) 5.113 14.354 ( 8.612 14.404 7.360) 18.325 14.520 ( 14.121 11.990 -4.958) 19.177 15.474 ( 0.095 -7.239 -0.651) 7.269 15.650 ( 6.608 -3.704 -1.456) 7.714 15.922 ( -4.848 -3.338 -1.180) 6.003 15.998 ( -6.131 -1.857 0.646) 6.438 16.080 ( 3.104 3.504 0.398) 4.699 16.182 ( 2.379 5.684 -0.657) 6.197 16.827 ( -9.465 4.558 -4.716) 11.515 17.129 ( 5.166 4.831 1.783) 7.295 17.521 ( -1.943 0.385 2.061) 2.858 17.657 ( 3.737 1.169 -1.927) 4.365 25.358 ( -3.640 22.879 4.661) 23.631 25.406 ( -7.377 32.879 -8.892) 34.850 25.544 ( -0.625 3.652 -1.052) 3.851 25.758 ( 2.676 18.616 8.293) 20.554 26.391 ( -0.897 -0.779 0.199) 1.205 26.433 ( 0.677 -1.710 -0.326) 1.868 28.760 ( -4.562 -17.417 -8.786) 20.034 28.939 ( 3.343 -13.863 9.176) 16.958 29.527 ( 6.372 14.416 -4.370) 16.356 29.742 ( 21.532 10.599 10.346) 26.135 30.688 ( 1.510 -4.312 3.463) 5.733 30.764 ( 5.198 -4.569 -4.557) 8.286 32.955 ( -1.234 2.192 -1.737) 3.058 32.985 ( 0.420 3.032 0.603) 3.120 33.174 ( -4.316 4.221 -6.169) 8.631 33.250 ( -5.705 -0.846 -5.486) 7.960 33.276 ( 0.198 4.723 8.924) 10.099 33.512 ( 7.999 -2.399 -3.505) 9.056 34.454 ( -7.920 -10.494 -2.670) 13.416 34.680 ( 3.541 -12.740 -0.482) 13.232 42.413 ( -1.205 8.639 0.763) 8.756 42.451 ( 0.701 8.998 -0.754) 9.057 43.328 ( -0.145 -3.521 2.459) 4.297 43.388 ( 2.790 -3.446 -1.528) 4.690 51.171 ( -5.676 38.614 -2.055) 39.083 51.339 ( 3.776 41.690 4.142) 42.065 56.307 ( -65.994 -26.912 -29.880) 77.281 59.068 ( 50.581 -63.365 -27.975) 85.768 ======================= Grid point 159 (77/104) ======================= q-point: ( 0.20 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 13.939 0.195 -15.932) 21.169 1.757 ( 15.309 2.871 8.169) 17.588 1.844 ( -1.365 12.687 -17.659) 21.787 2.000 ( -3.137 7.003 1.169) 7.763 2.323 ( -1.413 1.309 -0.901) 2.126 2.436 ( 2.654 -2.276 -1.144) 3.678 2.733 ( -4.904 -0.672 6.903) 8.494 2.813 ( -0.927 -0.326 5.401) 5.490 2.999 ( 7.787 15.860 -9.941) 20.273 3.181 ( 2.627 7.966 -3.353) 9.033 3.279 ( -4.553 10.656 5.473) 12.815 3.416 ( -12.958 10.785 0.523) 16.867 3.593 ( -4.414 0.181 -1.894) 4.807 3.675 ( -14.673 -2.993 0.921) 15.004 3.784 ( 4.837 3.028 11.739) 13.053 3.889 ( -4.049 0.761 -0.357) 4.135 4.072 ( -2.766 7.013 -0.971) 7.601 4.209 ( -6.190 -2.480 -0.658) 6.700 4.234 ( -1.522 1.798 4.521) 5.098 4.576 ( 2.334 3.521 -3.086) 5.232 4.718 ( -0.736 12.433 2.114) 12.633 4.858 ( -4.449 6.221 2.832) 8.156 4.883 ( -5.926 -3.832 6.045) 9.292 4.937 ( 0.765 2.943 -6.463) 7.143 5.105 ( 1.564 -1.460 -4.938) 5.381 5.242 ( 3.574 2.252 -4.887) 6.460 5.320 ( -0.373 3.082 -0.232) 3.113 5.368 ( -1.743 -0.579 5.390) 5.695 5.462 ( -3.304 -1.130 -2.119) 4.084 5.653 ( -5.728 0.531 -4.115) 7.073 6.037 ( -0.840 -10.139 -13.035) 16.535 6.147 ( -12.868 -9.353 4.904) 16.647 6.303 ( -3.987 -2.454 0.023) 4.681 6.598 ( 2.288 0.286 -1.031) 2.526 6.706 ( -3.665 -0.410 -1.661) 4.045 6.842 ( 1.258 -10.738 6.750) 12.746 6.992 ( -3.968 -1.660 3.025) 5.259 7.067 ( -1.153 -5.782 -2.316) 6.334 7.213 ( -1.998 -16.949 -3.823) 17.489 7.283 ( 2.927 -3.326 -3.600) 5.709 7.339 ( 4.344 -1.467 4.140) 6.177 7.486 ( 2.564 -2.833 -1.022) 3.956 7.602 ( 3.233 1.227 1.556) 3.792 7.943 ( 8.191 -8.781 3.730) 12.575 8.095 ( 7.551 1.034 -3.705) 8.474 8.455 ( -2.698 18.258 -0.595) 18.465 8.463 ( 9.851 5.194 2.136) 11.339 9.078 ( -12.101 20.049 1.148) 23.446 11.498 ( -3.300 4.681 -0.433) 5.744 11.543 ( 0.653 -0.952 1.014) 1.536 11.659 ( -3.723 2.028 -1.638) 4.545 11.749 ( -1.391 -0.952 0.017) 1.685 11.755 ( -1.785 0.059 0.077) 1.788 11.986 ( 0.025 7.350 2.920) 7.908 13.902 ( 2.629 0.660 -0.625) 2.782 13.982 ( 1.562 7.334 -0.243) 7.502 14.485 ( 2.859 -9.367 0.232) 9.797 14.713 ( 3.308 3.345 4.380) 6.428 15.507 ( 1.489 -5.167 -0.654) 5.417 15.727 ( -1.748 -7.545 1.443) 7.878 15.878 ( 2.960 5.362 4.703) 7.722 15.919 ( -0.807 -2.283 -1.200) 2.702 16.116 ( 0.557 5.059 -0.333) 5.101 16.195 ( 0.041 6.230 -0.626) 6.262 16.634 ( -6.914 7.196 -3.431) 10.553 17.163 ( 0.101 6.517 -3.310) 7.310 17.553 ( 0.682 1.860 5.749) 6.081 17.693 ( 2.525 0.851 -2.164) 3.432 25.246 ( -4.326 19.666 -2.436) 20.283 25.324 ( -3.930 22.155 3.173) 22.724 25.541 ( 0.165 4.369 -0.864) 4.457 25.795 ( -4.192 15.364 4.189) 16.467 26.392 ( 0.822 -0.975 0.318) 1.314 26.437 ( 0.341 -0.204 -0.506) 0.644 28.619 ( -3.594 -22.349 -5.270) 23.242 29.006 ( -2.522 -11.206 5.066) 12.554 29.600 ( 5.549 16.282 -3.981) 17.656 30.374 ( 18.119 0.473 21.166) 27.866 30.761 ( 3.066 -4.126 2.945) 5.924 30.906 ( 16.129 -4.267 3.816) 17.114 32.895 ( -2.461 1.601 -4.234) 5.152 32.988 ( -0.480 3.139 0.001) 3.175 33.061 ( -2.482 5.716 -2.687) 6.786 33.144 ( 1.648 -0.900 -5.541) 5.850 33.316 ( -3.477 4.377 6.109) 8.281 33.614 ( 7.180 -1.782 -4.319) 8.566 34.267 ( -7.709 -9.403 -5.124) 13.195 34.705 ( 1.184 -10.140 -3.172) 10.690 42.398 ( -1.244 8.668 0.962) 8.810 42.460 ( 0.682 7.701 -0.390) 7.741 43.360 ( 0.033 -4.360 3.997) 5.915 43.424 ( 2.663 -3.840 -1.821) 5.016 51.054 ( -6.033 36.883 0.111) 37.373 51.438 ( 2.016 38.070 3.705) 38.303 55.241 ( -18.312 -15.991 -17.089) 29.717 59.243 ( 7.775 -54.277 -37.954) 66.685 ======================= Grid point 160 (78/104) ======================= q-point: ( 0.30 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -4.197 9.796 -21.855) 24.315 1.853 ( 10.988 2.613 -7.484) 13.549 1.959 ( 1.588 9.020 2.028) 9.380 2.199 ( 11.259 0.563 11.058) 15.792 2.293 ( -0.352 1.804 1.309) 2.256 2.497 ( 1.289 0.737 5.071) 5.284 2.674 ( -6.457 0.106 5.462) 8.458 2.895 ( 0.362 3.140 7.327) 7.979 3.021 ( -7.410 6.611 -0.648) 9.951 3.154 ( -1.136 17.388 -1.484) 17.488 3.195 ( -1.967 1.909 -6.200) 6.779 3.245 ( -5.521 12.187 2.725) 13.655 3.437 ( -7.588 9.636 1.737) 12.387 3.540 ( -7.088 -10.096 3.296) 12.769 3.705 ( -7.932 3.327 -5.164) 10.033 3.905 ( -6.199 8.379 -2.217) 10.656 3.986 ( 1.784 5.571 -0.757) 5.898 4.139 ( -0.883 -0.213 0.963) 1.324 4.258 ( -1.485 6.108 2.424) 6.737 4.488 ( -3.603 11.885 -11.371) 16.839 4.705 ( -1.992 13.879 2.177) 14.189 4.817 ( -7.127 -3.249 10.034) 12.729 4.861 ( 1.627 1.851 -0.170) 2.470 4.933 ( 1.846 -1.695 0.935) 2.675 5.058 ( -4.499 -0.535 1.906) 4.915 5.188 ( -0.322 -1.128 -12.262) 12.318 5.328 ( 0.398 3.151 -0.215) 3.183 5.382 ( 0.039 -1.596 0.628) 1.716 5.411 ( -2.978 0.750 1.404) 3.376 5.518 ( -5.093 3.225 -0.360) 6.039 5.911 ( -4.122 -6.874 -6.400) 10.257 5.925 ( -12.206 -7.291 2.367) 14.413 6.263 ( -0.738 -1.284 0.604) 1.599 6.599 ( 0.799 -0.879 -6.207) 6.320 6.705 ( 2.411 -2.854 2.788) 4.662 6.899 ( -0.217 -8.112 4.066) 9.077 6.982 ( -1.454 -2.913 4.627) 5.658 7.037 ( -0.889 -6.881 0.113) 6.939 7.152 ( 0.580 -12.781 -5.682) 13.999 7.313 ( 2.679 -5.523 -3.137) 6.894 7.445 ( 3.667 0.637 1.720) 4.101 7.554 ( 5.957 -3.117 -0.723) 6.762 7.680 ( 4.324 2.974 1.185) 5.381 8.053 ( 0.412 -3.945 3.259) 5.134 8.273 ( 12.626 -1.386 -0.747) 12.723 8.468 ( 3.083 11.474 0.558) 11.894 8.655 ( 9.011 3.083 -0.932) 9.569 8.887 ( -5.803 15.117 -1.436) 16.256 11.440 ( -2.773 4.929 0.397) 5.669 11.560 ( -0.337 -0.965 0.478) 1.129 11.597 ( -1.686 2.047 0.145) 2.656 11.709 ( -2.788 -1.517 -0.401) 3.199 11.727 ( -1.647 0.169 0.364) 1.695 11.966 ( -2.133 4.966 -1.796) 5.696 13.983 ( 5.965 -0.413 -0.293) 5.986 14.059 ( 5.903 5.458 0.567) 8.059 14.498 ( -0.993 -17.533 0.349) 17.564 14.714 ( -4.088 -11.823 0.643) 12.526 15.471 ( -3.246 -9.595 -1.469) 10.236 15.629 ( -6.937 -11.192 0.603) 13.181 15.907 ( 2.781 3.115 -4.166) 5.899 16.054 ( -0.066 12.793 3.801) 13.346 16.126 ( 3.199 3.053 4.432) 6.261 16.187 ( -0.525 5.015 0.499) 5.067 16.537 ( -2.069 10.967 2.141) 11.364 17.110 ( -0.670 7.804 -5.968) 9.847 17.616 ( 0.403 1.683 5.196) 5.477 17.721 ( 2.179 1.089 -1.154) 2.696 25.183 ( -1.694 14.132 -0.267) 14.235 25.275 ( -3.247 20.857 0.910) 21.128 25.533 ( -0.472 3.889 0.377) 3.936 25.731 ( -4.017 8.138 0.332) 9.082 26.418 ( 1.419 -0.604 -0.241) 1.560 26.445 ( 1.163 0.343 -0.231) 1.235 28.539 ( -1.960 -25.551 -0.853) 25.640 28.961 ( -4.961 -13.480 0.997) 14.398 29.670 ( 4.649 17.269 -0.369) 17.888 30.531 ( -3.111 1.962 -1.947) 4.162 30.866 ( 4.477 -4.587 5.221) 8.267 31.364 ( 12.322 -8.856 15.313) 21.558 32.814 ( -1.598 1.910 -2.382) 3.446 32.982 ( 0.161 3.091 -0.115) 3.097 33.028 ( -0.808 5.425 -0.322) 5.494 33.242 ( 3.655 0.135 3.286) 4.917 33.281 ( 1.548 2.597 3.585) 4.690 33.696 ( 6.190 -1.660 -4.671) 7.931 34.105 ( -5.064 -7.409 -3.633) 9.681 34.669 ( -0.424 -9.026 -6.256) 10.990 42.388 ( -0.680 7.989 1.009) 8.081 42.465 ( 0.390 7.060 -0.792) 7.115 43.387 ( -1.151 -4.745 3.982) 6.300 43.450 ( 2.036 -4.156 -2.124) 5.091 50.974 ( -2.497 32.021 1.312) 32.145 51.460 ( -1.186 34.920 -0.757) 34.948 55.288 ( 9.903 -19.203 29.155) 36.289 58.847 ( -7.031 -46.369 -42.845) 63.523 ======================= Grid point 161 (79/104) ======================= q-point: ( 0.40 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( 9.251 5.227 2.224) 10.856 1.933 ( -0.450 13.203 3.655) 13.707 2.031 ( 6.525 11.139 -6.009) 14.239 2.306 ( 0.171 -2.987 7.074) 7.681 2.428 ( 5.323 -1.425 -1.139) 5.627 2.521 ( -1.148 0.448 1.738) 2.131 2.658 ( -7.188 -0.528 15.078) 16.712 2.839 ( -8.194 7.729 6.661) 13.086 2.919 ( -2.462 1.699 -1.198) 3.223 3.021 ( -4.161 0.172 -6.628) 7.828 3.134 ( -4.365 5.128 6.482) 9.348 3.244 ( 0.247 9.730 -1.785) 9.895 3.382 ( -6.569 -1.704 0.425) 6.800 3.464 ( 0.417 17.807 -2.498) 17.986 3.542 ( -0.177 3.496 -5.755) 6.736 3.708 ( -5.692 10.896 -2.140) 12.478 3.976 ( -7.360 13.971 -3.867) 16.258 4.062 ( -6.823 7.979 -5.168) 11.701 4.263 ( 2.835 -3.158 1.551) 4.519 4.405 ( 5.683 4.423 -6.730) 9.857 4.661 ( -5.027 4.703 2.041) 7.180 4.808 ( -0.256 7.133 -1.638) 7.324 4.896 ( 0.036 3.503 3.799) 5.167 4.993 ( -0.432 -3.992 1.748) 4.379 5.011 ( -0.822 -1.637 4.482) 4.842 5.067 ( 0.422 5.021 -6.482) 8.210 5.295 ( -2.278 1.086 -2.600) 3.623 5.347 ( -6.228 -0.277 3.110) 6.967 5.393 ( 1.395 0.870 -0.438) 1.701 5.468 ( -1.538 3.485 -0.320) 3.823 5.740 ( -9.699 -3.350 6.441) 12.116 5.833 ( 0.869 -4.357 -6.837) 8.154 6.272 ( 0.292 -0.089 1.641) 1.669 6.528 ( -0.877 -2.077 -8.285) 8.586 6.791 ( 3.191 -4.590 3.039) 6.363 6.910 ( -1.392 -5.879 2.020) 6.370 7.016 ( -1.787 -1.126 4.427) 4.905 7.036 ( 1.047 -11.533 2.806) 11.916 7.135 ( 2.715 -9.132 -4.788) 10.662 7.309 ( 0.702 -5.222 -4.523) 6.944 7.531 ( 3.218 0.011 3.472) 4.734 7.647 ( 4.623 -2.043 -1.967) 5.424 7.786 ( 6.400 0.365 0.318) 6.418 8.028 ( -5.356 -3.043 1.899) 6.446 8.491 ( 8.898 0.477 0.603) 8.931 8.540 ( 3.621 6.859 1.418) 7.885 8.731 ( 1.898 6.001 -0.833) 6.349 8.878 ( 3.733 5.055 -2.090) 6.623 11.412 ( -1.276 5.113 2.359) 5.774 11.554 ( -0.214 1.086 0.702) 1.311 11.585 ( -0.536 0.742 -0.109) 0.922 11.633 ( -3.975 0.057 -2.224) 4.555 11.708 ( -1.349 1.040 2.089) 2.695 11.897 ( -1.634 2.369 -4.824) 5.617 14.097 ( 5.810 1.821 0.458) 6.106 14.172 ( 5.057 4.986 -0.013) 7.102 14.475 ( -2.361 -22.189 2.284) 22.431 14.621 ( -4.238 -21.721 -2.235) 22.243 15.405 ( -2.110 -12.007 -0.297) 12.195 15.515 ( -5.457 -12.038 -0.225) 13.219 15.925 ( 2.994 6.099 -3.768) 7.769 16.002 ( -3.233 10.399 -1.509) 10.994 16.181 ( -0.012 3.813 0.968) 3.934 16.208 ( -0.330 3.970 2.314) 4.606 16.605 ( 2.035 13.243 9.882) 16.648 17.037 ( -0.411 9.337 -7.751) 12.142 17.664 ( 0.076 0.766 4.359) 4.427 17.745 ( 1.398 0.855 -1.072) 1.958 25.166 ( -0.411 12.511 0.517) 12.528 25.228 ( -1.865 18.137 -0.665) 18.244 25.539 ( 0.202 3.446 1.623) 3.815 25.667 ( -2.712 4.351 -0.912) 5.208 26.438 ( 1.346 0.336 -0.371) 1.436 26.467 ( 0.883 -0.520 -0.192) 1.042 28.537 ( 0.834 -26.627 2.893) 26.796 28.855 ( -5.427 -17.915 -2.716) 18.915 29.776 ( 5.165 17.037 4.240) 18.301 30.373 ( -6.998 7.080 -9.267) 13.601 31.020 ( 4.992 -5.183 9.099) 11.600 31.526 ( -0.501 -9.129 0.233) 9.146 32.817 ( 2.115 2.525 1.887) 3.796 32.986 ( 0.250 3.379 -0.005) 3.388 33.014 ( -0.373 4.719 -0.501) 4.760 33.153 ( -6.260 4.124 -1.454) 7.636 33.534 ( 6.736 -3.112 12.191) 14.271 33.756 ( 5.083 -2.066 -4.837) 7.314 34.041 ( 0.071 -6.479 1.786) 6.721 34.572 ( -2.147 -8.841 -9.972) 13.499 42.392 ( -0.064 7.219 1.335) 7.342 42.459 ( 0.035 6.845 -1.350) 6.977 43.396 ( -1.508 -4.622 3.516) 6.000 43.461 ( 1.461 -4.365 -2.428) 5.204 50.997 ( 1.900 28.476 4.491) 28.891 51.389 ( -3.393 32.351 -4.900) 32.896 55.875 ( 8.257 -26.004 54.187) 60.668 58.297 ( -5.463 -41.801 -49.249) 64.828 ======================= Grid point 162 (80/104) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 12.344 0.952 11.529) 16.917 1.865 ( -7.216 7.945 -1.519) 10.840 2.117 ( 3.402 13.457 2.394) 14.085 2.277 ( -9.327 10.515 -11.815) 18.362 2.400 ( 1.773 -3.948 6.785) 8.048 2.551 ( 1.437 -6.387 -3.685) 7.513 2.708 ( 0.181 0.279 13.366) 13.370 2.803 ( -3.889 0.578 6.654) 7.729 2.914 ( 1.498 3.379 2.920) 4.711 2.994 ( 2.626 4.954 -5.019) 7.525 3.116 ( -7.247 -1.476 4.104) 8.458 3.146 ( 4.855 3.992 -0.190) 6.288 3.328 ( 1.595 13.418 -3.164) 13.878 3.400 ( 0.061 12.919 -6.430) 14.431 3.641 ( 0.800 8.562 3.223) 9.183 3.693 ( 2.993 11.843 -2.937) 12.564 3.768 ( -2.498 14.284 0.033) 14.501 3.887 ( -2.266 8.589 -9.881) 13.287 4.333 ( -0.225 -2.596 5.033) 5.668 4.462 ( 3.850 0.015 -6.302) 7.386 4.593 ( -3.965 -0.175 3.477) 5.276 4.720 ( -0.084 1.667 -10.408) 10.541 4.917 ( -1.911 6.040 6.744) 9.253 5.004 ( 3.015 5.403 -2.262) 6.588 5.060 ( -1.341 3.123 4.816) 5.894 5.133 ( 6.581 4.697 -1.521) 8.227 5.240 ( -3.765 -0.344 1.655) 4.127 5.262 ( -0.454 -3.343 -0.959) 3.508 5.412 ( -0.019 0.797 -0.396) 0.890 5.442 ( 0.980 2.684 -1.431) 3.195 5.680 ( -3.944 -0.109 6.323) 7.453 5.822 ( 4.494 -3.480 -6.289) 8.477 6.301 ( 0.221 -0.420 3.963) 3.991 6.433 ( -1.002 -1.175 -7.852) 8.002 6.860 ( 0.928 -5.030 3.019) 5.939 6.894 ( -0.954 -5.575 -0.672) 5.696 6.992 ( -4.552 -5.890 5.658) 9.350 7.099 ( 3.140 -8.772 -0.691) 9.343 7.163 ( 2.366 -5.851 0.255) 6.316 7.260 ( -0.776 -4.445 -5.757) 7.315 7.601 ( -0.001 -1.248 3.776) 3.977 7.678 ( 1.294 -1.268 -3.463) 3.909 7.909 ( 2.613 -3.512 1.191) 4.537 7.910 ( -4.837 -1.675 1.162) 5.249 8.548 ( -2.115 5.234 3.009) 6.397 8.615 ( 2.853 5.597 -3.349) 7.119 8.786 ( 1.632 1.524 4.189) 4.747 8.871 ( -2.394 3.137 -3.944) 5.579 11.451 ( 2.428 4.297 3.935) 6.312 11.528 ( -2.766 2.260 -3.226) 4.813 11.565 ( 0.187 0.937 0.745) 1.211 11.585 ( 0.334 1.177 -1.220) 1.728 11.725 ( 0.235 1.607 4.113) 4.422 11.824 ( -1.105 1.147 -5.326) 5.559 14.177 ( 0.588 6.393 1.466) 6.585 14.211 ( -0.035 6.480 -1.809) 6.728 14.467 ( -1.705 -27.763 4.522) 28.180 14.556 ( 1.190 -26.002 -4.002) 26.335 15.410 ( 2.255 -12.165 0.993) 12.412 15.433 ( -2.250 -12.792 -1.222) 13.046 15.924 ( -3.212 9.467 0.206) 9.999 15.956 ( 2.410 7.462 -2.732) 8.304 16.192 ( -0.413 3.569 1.262) 3.808 16.207 ( 0.305 3.983 -0.125) 3.997 16.740 ( 1.961 11.924 10.578) 16.060 16.951 ( -0.427 10.812 -9.693) 14.527 17.691 ( -1.625 0.491 4.136) 4.471 17.756 ( 1.607 0.607 -2.180) 2.775 25.174 ( 0.531 13.288 0.975) 13.334 25.196 ( -0.647 15.607 -1.131) 15.661 25.573 ( 1.446 3.166 2.277) 4.159 25.616 ( -1.321 3.626 -1.836) 4.273 26.458 ( 0.418 -0.198 0.167) 0.491 26.465 ( -0.384 -0.122 -0.552) 0.683 28.620 ( 4.000 -25.090 5.163) 25.926 28.728 ( -3.989 -22.188 -5.091) 23.111 29.940 ( 6.223 14.866 8.544) 18.241 30.140 ( -7.612 11.980 -10.841) 17.860 31.204 ( 4.058 -6.083 12.364) 14.364 31.421 ( -5.899 -7.782 -7.456) 12.286 32.916 ( 4.891 2.828 4.216) 7.049 32.986 ( -0.580 3.182 -1.185) 3.444 33.009 ( 0.485 4.619 -0.322) 4.656 33.021 ( -4.622 4.305 -2.718) 6.877 33.657 ( -2.738 -2.728 8.152) 9.022 33.794 ( 3.882 -2.647 -4.950) 6.825 34.158 ( 5.758 -7.166 9.353) 13.114 34.406 ( -4.150 -9.106 -13.713) 16.976 42.408 ( 0.193 6.697 1.636) 6.897 42.443 ( -0.140 7.034 -1.712) 7.241 43.400 ( -1.435 -4.451 3.332) 5.742 43.461 ( 1.174 -4.488 -2.585) 5.311 51.109 ( 3.917 27.696 7.072) 28.851 51.261 ( -3.878 31.106 -7.368) 32.201 56.520 ( 5.402 -30.365 59.632) 67.135 57.768 ( 1.204 -39.577 -58.812) 70.899 ======================= Grid point 163 (81/104) ======================= q-point: (-0.40 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -14.027 0.013 -12.584) 18.844 1.885 ( -12.525 13.287 2.361) 18.412 1.988 ( 2.414 4.118 3.151) 5.719 2.301 ( 3.416 9.496 5.498) 11.492 2.416 ( -2.603 -1.413 -1.347) 3.254 2.554 ( 1.202 -0.596 -2.729) 3.041 2.787 ( 5.175 0.068 6.106) 8.005 2.886 ( 1.507 6.932 -3.061) 7.727 2.908 ( 5.462 0.540 3.872) 6.717 3.047 ( -0.333 -2.436 -5.513) 6.036 3.154 ( 9.443 6.712 5.161) 12.683 3.279 ( -9.819 26.613 -1.887) 28.429 3.333 ( 2.424 12.938 5.273) 14.180 3.400 ( 15.592 0.527 -4.042) 16.117 3.500 ( -3.783 6.274 0.800) 7.370 3.781 ( 6.388 7.426 -7.754) 12.493 3.903 ( 9.917 4.372 4.235) 11.636 3.955 ( 11.974 10.907 1.969) 16.316 4.311 ( -5.929 -0.611 2.188) 6.349 4.376 ( -3.280 -2.696 -9.527) 10.430 4.618 ( 1.393 -1.728 7.513) 7.834 4.710 ( 4.042 5.860 -2.188) 7.448 4.970 ( 0.902 -0.491 1.549) 1.858 5.005 ( -1.944 8.276 0.877) 8.547 5.063 ( 4.648 4.259 -3.209) 7.074 5.150 ( -0.579 -1.170 -6.324) 6.457 5.241 ( 1.932 1.391 1.303) 2.714 5.301 ( 1.047 -4.713 2.888) 5.625 5.425 ( 1.766 1.234 2.019) 2.952 5.472 ( 3.426 1.706 -3.208) 4.994 5.694 ( -0.975 1.584 5.711) 6.006 5.896 ( 10.724 -5.143 -7.101) 13.852 6.340 ( -0.981 -2.005 0.465) 2.280 6.374 ( 1.029 0.695 0.631) 1.392 6.828 ( -3.955 -4.662 -1.448) 6.283 6.904 ( 0.490 -4.591 1.641) 4.900 6.972 ( -3.772 -8.606 7.021) 11.730 7.131 ( 2.796 -8.572 -4.951) 10.286 7.162 ( -2.598 -4.744 -3.146) 6.257 7.225 ( 1.026 -4.433 1.136) 4.690 7.587 ( -3.884 -2.027 0.986) 4.491 7.624 ( -3.816 -0.787 -2.249) 4.499 7.789 ( -5.011 1.127 0.086) 5.137 8.011 ( 2.342 -5.335 3.378) 6.735 8.488 ( -6.879 4.898 0.748) 8.478 8.582 ( -3.533 7.792 -2.157) 8.823 8.739 ( -7.086 4.910 -1.757) 8.798 8.823 ( -1.171 2.903 2.954) 4.304 11.471 ( -0.174 3.179 -3.060) 4.416 11.546 ( 1.869 0.180 2.924) 3.475 11.581 ( 2.055 0.988 0.380) 2.312 11.596 ( 2.419 2.578 -0.533) 3.575 11.768 ( -0.241 0.781 -3.500) 3.594 11.790 ( 2.027 2.759 4.987) 6.049 14.111 ( -6.037 1.541 -0.740) 6.275 14.171 ( -4.074 7.942 -0.007) 8.926 14.480 ( -0.679 -23.471 2.179) 23.582 14.609 ( 6.751 -22.891 -1.464) 23.910 15.412 ( 1.429 -13.093 -1.030) 13.211 15.501 ( 5.785 -11.362 1.066) 12.794 15.867 ( -3.555 7.337 1.752) 8.339 15.991 ( 2.811 8.461 -0.567) 8.934 16.188 ( -0.299 4.093 0.331) 4.117 16.228 ( 1.485 3.435 0.001) 3.742 16.833 ( -1.208 11.648 -8.381) 14.400 16.871 ( 1.852 10.474 5.564) 12.004 17.679 ( -2.692 -0.355 2.525) 3.708 17.765 ( 1.362 2.217 -2.345) 3.503 25.181 ( 0.165 14.201 -0.862) 14.228 25.209 ( 2.213 16.239 1.055) 16.423 25.577 ( -0.451 3.597 -1.870) 4.079 25.638 ( 2.961 4.094 1.722) 5.338 26.435 ( -1.736 0.647 -0.061) 1.854 26.465 ( -0.421 -0.755 -0.035) 0.865 28.620 ( -2.132 -24.814 -4.916) 25.386 28.774 ( 6.810 -20.965 4.887) 22.578 29.904 ( -7.811 15.467 -8.091) 19.123 30.163 ( 7.642 10.635 10.539) 16.810 31.211 ( -7.960 -6.429 -8.606) 13.369 31.380 ( 1.944 -7.298 12.928) 14.973 32.886 ( -3.489 3.023 -4.656) 6.557 32.984 ( -0.069 3.419 0.415) 3.445 33.003 ( 0.439 3.783 0.467) 3.837 33.100 ( 7.426 4.231 3.431) 9.210 33.640 ( -5.445 -1.918 6.418) 8.633 33.793 ( 1.496 -3.391 -8.716) 9.471 34.179 ( -5.813 -9.334 -13.716) 17.580 34.356 ( 5.050 -7.468 10.278) 13.672 42.420 ( -0.207 7.058 -0.316) 7.068 42.432 ( 0.417 7.141 0.215) 7.156 43.402 ( -1.569 -4.292 3.148) 5.549 43.460 ( 1.244 -4.618 -2.545) 5.417 51.114 ( -3.478 31.525 -6.135) 32.305 51.268 ( 5.021 29.487 6.092) 30.525 57.173 ( 6.930 -34.110 46.441) 58.037 57.225 ( 3.137 -37.157 -60.598) 71.151 ======================= Grid point 164 (82/104) ======================= q-point: (-0.30 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( -11.916 14.212 -3.454) 18.866 1.649 ( -18.606 5.118 8.754) 21.190 2.030 ( 0.651 5.248 -1.891) 5.616 2.295 ( -4.674 5.451 1.669) 7.372 2.379 ( 0.417 3.440 -6.768) 7.603 2.541 ( -2.372 1.665 0.082) 2.899 2.823 ( -9.530 13.424 -0.355) 16.467 2.959 ( 1.292 2.190 3.404) 4.249 2.984 ( -2.303 3.742 -1.399) 4.612 3.036 ( 6.583 8.570 -2.594) 11.113 3.168 ( 5.478 6.008 2.297) 8.449 3.262 ( 3.396 12.043 0.631) 12.528 3.467 ( 6.061 17.022 1.046) 18.099 3.605 ( 12.827 -3.132 3.662) 13.702 3.668 ( 15.990 -3.517 -5.561) 17.291 3.906 ( 11.107 5.365 -2.889) 12.669 4.054 ( -2.257 6.244 -6.527) 9.310 4.129 ( 5.027 -2.601 2.697) 6.270 4.271 ( 1.877 0.673 -3.601) 4.116 4.305 ( 7.291 8.796 6.518) 13.153 4.721 ( 0.625 3.429 2.608) 4.353 4.775 ( 3.181 7.008 4.822) 9.082 4.920 ( -1.774 0.724 -0.384) 1.954 5.023 ( -0.874 0.099 -5.817) 5.883 5.086 ( 1.543 -2.222 -2.258) 3.524 5.126 ( 2.912 -3.512 -3.034) 5.479 5.287 ( 1.343 1.088 3.012) 3.472 5.343 ( 1.289 -4.315 2.500) 5.151 5.481 ( 1.343 3.096 0.742) 3.455 5.517 ( 7.146 -0.309 -5.406) 8.966 5.734 ( -0.674 -1.143 6.441) 6.577 6.070 ( 14.110 -8.403 -7.255) 17.953 6.307 ( 0.368 -0.500 -3.016) 3.080 6.443 ( 0.528 -0.470 7.375) 7.409 6.735 ( -4.194 -1.864 -0.774) 4.654 6.927 ( 0.796 -4.059 0.939) 4.241 6.980 ( -2.033 -11.400 6.411) 13.236 7.067 ( -2.443 -9.179 -2.401) 9.797 7.133 ( 1.260 -2.085 -5.276) 5.811 7.246 ( -1.224 -7.422 2.846) 8.042 7.496 ( -4.222 -0.586 -1.868) 4.654 7.540 ( -4.158 -0.213 0.318) 4.176 7.712 ( -2.827 1.801 -2.101) 3.955 8.042 ( -3.304 -6.516 4.416) 8.536 8.290 ( -12.639 4.695 -2.331) 13.683 8.480 ( -5.068 11.547 -0.420) 12.617 8.620 ( -6.775 4.496 2.155) 8.412 8.852 ( 4.265 12.205 1.540) 13.020 11.462 ( 1.423 3.773 -1.558) 4.322 11.562 ( -0.137 -1.892 0.638) 2.001 11.609 ( 1.891 2.189 -1.143) 3.110 11.682 ( 3.590 -0.350 1.635) 3.961 11.749 ( 0.668 0.452 -1.553) 1.750 11.893 ( 3.891 4.918 4.818) 7.908 13.990 ( -5.708 -1.176 -0.890) 5.896 14.069 ( -6.008 8.010 -0.325) 10.018 14.477 ( -1.924 -17.843 1.991) 18.056 14.739 ( 7.973 -14.528 -1.283) 16.622 15.454 ( 2.928 -10.799 0.063) 11.189 15.625 ( 6.386 -10.368 0.883) 12.209 15.838 ( -1.225 3.840 2.441) 4.712 16.045 ( 2.507 8.697 1.183) 9.128 16.188 ( 0.100 3.826 -0.254) 3.836 16.245 ( 0.553 3.773 -2.267) 4.437 16.691 ( -2.164 12.878 -12.282) 17.927 16.976 ( 2.197 7.946 7.001) 10.816 17.651 ( -2.175 -0.491 1.492) 2.683 17.754 ( 0.197 4.293 -3.500) 5.543 25.185 ( 1.038 14.319 -0.476) 14.365 25.282 ( 5.117 20.848 0.273) 21.469 25.557 ( 0.015 4.252 -1.788) 4.613 25.719 ( 4.484 7.896 1.566) 9.214 26.409 ( -1.070 0.945 0.432) 1.491 26.446 ( -1.207 -0.676 -0.291) 1.414 28.561 ( -0.270 -25.319 -2.968) 25.494 28.944 ( 7.271 -14.909 2.726) 16.810 29.707 ( -7.392 17.492 -3.999) 19.407 30.397 ( 6.904 4.395 9.625) 12.634 30.997 ( -7.141 -5.517 -6.916) 11.370 31.490 ( -1.054 -9.843 6.636) 11.918 32.811 ( -0.959 2.070 -2.139) 3.128 32.981 ( -0.287 3.356 0.069) 3.369 33.017 ( 0.631 4.046 0.545) 4.131 33.269 ( 7.749 3.653 1.375) 8.677 33.576 ( -9.621 -4.202 -21.865) 24.255 33.591 ( -6.203 -1.371 3.049) 7.046 34.046 ( -0.616 -8.184 0.831) 8.249 34.514 ( 2.811 -7.426 8.226) 11.433 42.414 ( 0.670 8.681 -1.188) 8.788 42.446 ( 0.214 6.920 0.870) 6.978 43.397 ( -1.984 -4.078 2.814) 5.337 43.461 ( 1.416 -4.968 -2.686) 5.822 51.035 ( 1.313 36.177 -4.257) 36.451 51.402 ( 3.746 31.990 4.478) 32.518 56.448 ( -11.116 -32.714 -81.863) 88.856 57.850 ( 8.626 -36.729 53.143) 65.174 ======================= Grid point 165 (83/104) ======================= q-point: (-0.20 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -5.364 17.997 21.287) 28.387 1.409 ( -15.326 8.161 16.387) 23.876 1.936 ( -9.780 1.580 -6.151) 11.661 2.175 ( -4.268 10.309 -4.137) 11.900 2.326 ( -4.365 8.500 -0.688) 9.580 2.393 ( -11.254 7.503 2.373) 13.732 2.712 ( -4.985 13.321 7.854) 16.248 2.875 ( 0.849 -3.812 -6.089) 7.233 2.952 ( -1.084 8.188 -4.764) 9.535 3.129 ( -1.122 2.565 1.523) 3.187 3.336 ( 11.942 8.437 0.500) 14.630 3.371 ( 5.461 12.789 3.170) 14.263 3.693 ( 9.080 1.403 -4.820) 10.375 3.731 ( 4.478 -5.415 -7.086) 9.980 3.847 ( 9.065 -0.867 0.288) 9.111 3.992 ( 6.022 -1.728 -5.015) 8.025 4.036 ( 3.536 7.072 0.758) 7.943 4.224 ( 7.197 -2.703 -1.333) 7.802 4.362 ( 6.256 4.258 -3.006) 8.143 4.499 ( 4.917 9.031 2.827) 10.664 4.714 ( -1.629 9.296 2.237) 9.700 4.849 ( 0.560 1.338 1.210) 1.889 4.878 ( -3.475 5.385 0.928) 6.476 4.971 ( 0.080 -2.398 -3.020) 3.857 5.058 ( -1.551 -2.334 -0.513) 2.850 5.174 ( 2.397 -5.558 2.929) 6.724 5.327 ( 2.118 -1.246 -0.792) 2.582 5.405 ( 3.138 -2.631 1.031) 4.223 5.496 ( 2.198 2.866 -3.682) 5.158 5.611 ( 5.856 -0.057 -1.929) 6.166 5.791 ( -0.267 -6.696 9.072) 11.278 6.248 ( 10.702 -10.962 -4.572) 15.988 6.314 ( 2.528 -0.872 -0.830) 2.800 6.506 ( -0.586 1.538 5.597) 5.834 6.693 ( 0.010 1.574 1.046) 1.890 6.934 ( -0.165 -8.264 -2.492) 8.633 7.004 ( 0.154 -10.368 2.347) 10.631 7.050 ( -0.230 -7.132 3.534) 7.963 7.115 ( 1.691 -2.957 -0.687) 3.475 7.229 ( -2.737 -9.901 2.003) 10.466 7.419 ( -2.475 0.002 -1.312) 2.801 7.483 ( -1.747 -1.748 -1.247) 2.768 7.640 ( -2.864 1.230 -2.660) 4.098 7.951 ( -10.604 -10.823 2.992) 15.445 8.052 ( -10.549 6.079 0.187) 12.177 8.422 ( -1.156 15.612 1.932) 15.774 8.509 ( -5.247 6.185 -1.636) 8.274 9.065 ( 16.496 20.259 2.502) 26.245 11.494 ( 2.706 4.495 -0.032) 5.246 11.558 ( -0.511 -2.324 -0.225) 2.390 11.643 ( 2.637 2.286 -0.101) 3.491 11.742 ( 1.960 -1.072 0.695) 2.340 11.757 ( 0.848 0.254 -0.163) 0.900 11.997 ( 3.302 7.691 1.913) 8.586 13.904 ( -2.227 -1.464 -0.823) 2.789 13.979 ( -2.784 10.259 0.052) 10.630 14.436 ( -5.514 -12.556 3.442) 14.139 14.853 ( 7.123 -0.770 -6.256) 9.511 15.490 ( -0.121 -6.440 0.688) 6.478 15.733 ( 3.866 -8.283 0.606) 9.161 15.882 ( 4.282 0.427 1.049) 4.429 16.092 ( 0.496 9.461 -1.038) 9.530 16.107 ( -7.557 3.849 -10.387) 13.409 16.195 ( -0.780 4.716 -1.124) 4.910 16.606 ( 2.564 9.520 -2.127) 10.086 17.075 ( 2.371 5.903 5.031) 8.111 17.634 ( -0.962 0.210 1.131) 1.499 17.703 ( -1.123 5.536 -5.758) 8.066 25.215 ( 2.268 16.900 0.691) 17.066 25.388 ( 6.786 21.320 -2.809) 22.549 25.542 ( -0.411 4.861 -0.914) 4.963 25.862 ( 11.857 22.270 -1.486) 25.273 26.397 ( -0.612 -1.026 -0.128) 1.202 26.432 ( 0.165 1.744 -0.115) 1.755 28.556 ( 0.837 -23.775 0.761) 23.802 29.069 ( 5.130 -9.086 -1.066) 10.489 29.561 ( -6.567 17.849 0.044) 19.019 30.549 ( 1.708 -2.015 2.977) 3.980 30.832 ( -5.429 -5.722 -4.542) 9.102 31.302 ( -19.089 -12.679 -23.845) 33.071 32.819 ( 1.744 1.227 2.230) 3.085 32.976 ( -0.272 2.359 0.576) 2.443 33.039 ( 0.981 4.392 1.232) 4.666 33.125 ( -12.186 1.103 -11.069) 16.500 33.401 ( 5.702 3.494 -2.019) 6.986 33.526 ( -6.111 -0.464 4.293) 7.482 34.128 ( 4.217 -10.116 8.322) 13.762 34.608 ( 0.435 -7.575 5.721) 9.503 42.428 ( 2.130 10.101 -1.401) 10.418 42.453 ( 0.184 7.719 -0.118) 7.722 43.380 ( -2.437 -3.765 2.362) 5.069 43.451 ( 0.324 -5.503 -4.059) 6.846 51.122 ( 12.556 46.893 -4.893) 48.791 51.471 ( 0.856 34.849 0.620) 34.865 55.435 ( -21.984 -18.673 -48.022) 56.018 58.385 ( -2.098 -40.890 44.823) 60.708 ======================= Grid point 166 (84/104) ======================= q-point: (-0.10 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( -9.888 6.926 23.406) 26.336 1.500 ( -8.935 14.964 27.281) 32.373 1.670 ( -5.013 4.070 -9.832) 11.763 2.061 ( -5.815 8.236 -4.277) 10.951 2.190 ( -9.971 20.310 22.057) 31.597 2.376 ( 4.961 4.614 -5.102) 8.481 2.730 ( 0.691 0.737 5.742) 5.831 2.883 ( 1.328 6.179 -6.305) 8.928 2.920 ( 4.442 -3.173 -1.152) 5.579 3.092 ( -3.373 5.117 3.090) 6.863 3.376 ( -3.501 5.219 -8.205) 10.335 3.535 ( 5.651 7.671 3.225) 10.059 3.677 ( 6.569 -0.129 1.078) 6.658 3.886 ( -0.419 -5.931 0.739) 5.992 3.986 ( 9.577 -3.434 -7.639) 12.723 4.004 ( 4.688 -0.702 -9.704) 10.800 4.097 ( 3.151 14.465 -2.233) 14.972 4.325 ( 3.754 -3.031 -2.690) 5.524 4.367 ( 1.124 -0.658 -8.483) 8.583 4.511 ( -2.788 0.561 -0.346) 2.865 4.712 ( -4.159 6.191 8.580) 11.369 4.829 ( 0.334 7.472 -0.504) 7.497 4.891 ( -0.921 3.876 4.484) 5.998 4.960 ( 1.552 -1.185 0.842) 2.126 5.051 ( 1.339 2.886 -1.426) 3.486 5.224 ( 1.065 -4.727 -2.030) 5.253 5.345 ( 0.995 0.099 -1.249) 1.600 5.464 ( 0.644 -0.051 -0.853) 1.070 5.527 ( 6.634 2.275 -1.932) 7.274 5.676 ( 2.161 -0.781 -0.781) 2.427 5.927 ( 4.517 -10.956 12.349) 17.115 6.359 ( 4.330 -10.303 -4.400) 12.011 6.379 ( 3.757 -0.979 1.906) 4.325 6.512 ( -2.447 1.036 3.033) 4.032 6.731 ( -0.002 1.419 4.015) 4.258 6.877 ( -1.033 -9.919 -4.194) 10.819 7.046 ( 1.353 -5.976 2.451) 6.600 7.114 ( 4.702 -8.488 0.241) 9.707 7.181 ( 1.195 -3.838 6.535) 7.672 7.223 ( 1.410 -15.300 2.723) 15.604 7.389 ( -0.327 0.329 1.202) 1.288 7.439 ( -1.288 -7.635 -2.590) 8.165 7.550 ( -3.614 -0.137 -3.878) 5.303 7.728 ( -14.730 -13.840 1.676) 20.281 7.953 ( -2.113 7.079 5.118) 8.987 8.358 ( -5.441 5.144 -4.271) 8.620 8.552 ( 9.431 25.262 5.383) 27.497 9.359 ( 11.806 16.102 -8.884) 21.854 11.540 ( 1.635 2.535 0.043) 3.017 11.562 ( 1.758 1.502 0.002) 2.312 11.704 ( 3.173 2.231 1.423) 4.132 11.769 ( 0.088 -0.485 0.822) 0.959 11.776 ( 1.430 0.627 -0.030) 1.562 12.016 ( -0.987 10.794 -4.198) 11.623 13.920 ( 4.734 2.527 0.036) 5.366 13.995 ( 4.259 7.396 1.409) 8.650 14.332 ( -9.795 -5.672 4.518) 12.187 14.772 ( -5.483 33.366 -24.028) 41.481 15.459 ( -1.613 -6.356 0.604) 6.586 15.666 ( -8.976 -1.828 -3.932) 9.968 15.914 ( 2.510 -1.593 -1.062) 3.157 16.001 ( 6.363 0.261 0.181) 6.371 16.093 ( -1.743 2.143 -0.390) 2.790 16.166 ( -2.591 5.428 0.634) 6.048 16.734 ( 8.659 4.617 4.454) 10.776 17.132 ( -0.601 4.764 1.406) 5.004 17.617 ( 0.250 4.534 -7.357) 8.646 17.625 ( -2.641 0.217 1.207) 2.912 25.285 ( 3.173 23.136 3.499) 23.613 25.461 ( 5.050 16.949 -4.626) 18.280 25.530 ( 0.043 4.035 0.172) 4.038 26.039 ( 11.327 41.610 -20.226) 47.631 26.394 ( 0.507 -2.188 0.047) 2.247 26.436 ( 0.428 3.462 -1.519) 3.804 28.608 ( 2.035 -20.864 5.513) 21.676 29.099 ( 0.573 -7.348 -5.686) 9.308 29.464 ( -4.782 17.205 1.779) 17.946 30.110 ( -42.551 -0.905 -27.210) 50.515 30.672 ( -5.767 -4.125 3.824) 8.056 30.783 ( -2.637 -3.386 -6.426) 7.727 32.889 ( 2.258 0.895 4.326) 4.961 32.995 ( -0.403 3.654 -0.531) 3.714 33.066 ( 2.381 4.366 4.162) 6.484 33.126 ( 8.683 -0.547 7.247) 11.323 33.433 ( -1.896 4.403 -4.229) 6.393 33.449 ( -2.522 -1.472 1.071) 3.110 34.339 ( 8.865 -14.995 9.744) 19.959 34.634 ( -2.176 -8.340 3.391) 9.262 42.442 ( -0.467 7.476 0.120) 7.492 42.459 ( 2.368 11.949 -4.028) 12.830 43.353 ( -2.527 -3.413 1.855) 4.634 43.393 ( -1.716 -4.391 -3.918) 6.129 51.265 ( 8.472 54.076 -15.182) 56.802 51.436 ( -2.889 37.051 -4.084) 37.387 55.604 ( 61.806 -20.484 37.227) 75.003 58.465 ( -29.978 -44.086 29.996) 61.172 ======================= Grid point 167 (85/104) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 0.095 12.689 13.700) 18.674 1.776 ( 1.296 10.641 -2.097) 10.923 1.861 ( -5.311 17.953 8.130) 20.411 2.105 ( 0.891 12.377 -2.831) 12.728 2.395 ( 6.635 -6.095 -1.675) 9.164 2.456 ( 0.411 -2.112 -12.946) 13.123 2.743 ( -9.203 2.096 4.114) 10.296 2.924 ( 4.508 1.252 -13.389) 14.183 3.166 ( -1.429 -4.204 8.795) 9.852 3.288 ( 6.428 10.225 12.011) 17.033 3.368 ( 2.655 4.631 -2.346) 5.831 3.469 ( -7.399 -5.699 0.749) 9.369 3.693 ( -4.016 -6.774 0.776) 7.913 3.751 ( 4.866 -0.817 -3.935) 6.311 4.069 ( 5.307 7.819 3.341) 10.023 4.249 ( -0.276 -2.316 -2.126) 3.156 4.256 ( -3.313 2.760 -7.727) 8.849 4.296 ( -6.495 5.169 -7.786) 11.381 4.421 ( 1.109 19.717 1.621) 19.814 4.504 ( -0.316 23.866 -6.251) 24.673 4.833 ( -0.559 5.837 11.452) 12.866 4.981 ( 2.389 3.428 1.483) 4.434 5.027 ( -2.138 -1.245 -0.311) 2.494 5.092 ( 2.728 4.961 -3.932) 6.894 5.169 ( 0.550 9.269 2.902) 9.728 5.230 ( 1.440 11.565 -0.094) 11.655 5.300 ( -3.017 -3.896 8.150) 9.523 5.479 ( 2.836 0.531 -6.602) 7.205 5.634 ( -5.807 2.493 3.348) 7.152 5.713 ( 8.958 -2.224 -2.848) 9.660 5.873 ( 5.003 -8.916 5.319) 11.525 6.045 ( -3.656 -12.470 -10.013) 16.405 6.404 ( -2.255 -10.884 3.969) 11.802 6.471 ( 3.101 -4.688 -0.930) 5.697 6.521 ( -1.822 -16.457 3.530) 16.929 6.643 ( -2.279 -12.737 -5.817) 14.186 6.811 ( 0.512 -13.444 7.459) 15.383 6.926 ( 0.854 -11.135 -2.898) 11.538 7.082 ( 3.711 -4.137 6.278) 8.385 7.176 ( -1.404 -5.359 -1.843) 5.838 7.289 ( -2.922 -1.048 4.699) 5.632 7.336 ( -8.057 -1.685 7.424) 11.085 7.404 ( 0.368 -0.226 -5.112) 5.130 7.493 ( 5.812 -1.869 -7.385) 9.582 8.253 ( 4.059 11.114 5.145) 12.902 8.378 ( -3.308 9.079 -6.793) 11.812 9.149 ( 1.571 3.869 11.402) 12.142 9.358 ( -1.127 -3.654 -8.593) 9.405 11.610 ( -0.830 2.082 0.667) 2.339 11.625 ( 0.978 2.419 -0.740) 2.712 11.747 ( -0.637 -1.409 0.870) 1.774 11.761 ( 0.648 -1.299 -0.514) 1.540 12.076 ( 4.587 20.140 7.004) 21.811 12.241 ( -6.109 21.081 -8.789) 23.643 13.727 ( 1.663 -21.081 4.048) 21.530 13.795 ( -1.041 -19.335 -2.498) 19.524 14.839 ( 6.246 31.152 12.274) 34.060 15.157 ( -11.977 24.370 -17.161) 32.122 15.447 ( -3.139 -0.414 1.085) 3.347 15.498 ( 6.323 4.576 -5.441) 9.514 15.891 ( 2.770 -6.030 1.165) 6.737 15.925 ( -3.805 -6.513 -1.974) 7.798 16.124 ( 5.790 -3.502 2.005) 7.058 16.164 ( -5.248 -0.866 -1.804) 5.616 17.079 ( 7.650 8.800 4.506) 12.500 17.164 ( -6.740 7.634 -3.418) 10.742 17.556 ( -3.753 -2.124 0.836) 4.393 17.606 ( 3.987 -2.320 -4.675) 6.567 25.647 ( 0.058 7.590 1.025) 7.659 25.672 ( 0.116 7.558 -1.405) 7.689 26.058 ( 5.029 13.214 11.199) 18.037 26.220 ( -3.119 -3.935 -4.094) 6.479 26.498 ( 2.287 21.607 10.100) 23.961 26.950 ( -8.978 44.279 -36.487) 58.074 28.353 ( 6.704 -20.698 13.642) 25.680 28.663 ( -8.027 -15.327 -15.887) 23.490 29.782 ( -1.209 14.646 0.563) 14.707 29.800 ( 0.978 13.276 -1.344) 13.379 30.515 ( -1.363 -8.318 3.741) 9.222 30.597 ( 1.674 -8.891 -4.321) 10.026 33.007 ( 2.183 2.971 3.980) 5.425 33.061 ( -0.914 4.160 -1.675) 4.577 33.260 ( 5.364 -2.065 6.324) 8.546 33.309 ( -3.763 -2.662 -0.389) 4.626 33.343 ( 4.221 7.096 3.706) 9.050 33.491 ( -2.807 8.908 -8.370) 12.542 34.197 ( 5.330 -17.634 9.746) 20.841 34.325 ( -4.588 -14.300 -3.508) 15.422 42.635 ( -1.127 10.960 1.769) 11.159 42.696 ( 0.904 11.381 -4.486) 12.267 43.228 ( -1.634 -6.203 1.575) 6.605 43.263 ( 1.341 -6.080 -1.702) 6.454 52.374 ( -6.865 61.104 -1.381) 61.504 52.442 ( 3.738 61.022 -8.929) 61.785 56.368 ( 66.157 -65.470 20.725) 95.355 56.628 ( -46.271 -62.070 -6.756) 77.714 ======================= Grid point 168 (86/104) ======================= q-point: ( 0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( 3.882 15.798 9.766) 18.974 1.715 ( 2.229 5.817 -12.203) 13.701 2.020 ( 5.560 12.819 17.715) 22.562 2.244 ( 12.203 15.093 -7.662) 20.867 2.340 ( 0.130 -7.123 -10.392) 12.600 2.465 ( 1.901 1.882 -5.712) 6.307 2.645 ( -6.131 -3.387 13.587) 15.286 2.831 ( -6.198 -1.009 -5.953) 8.653 3.200 ( -2.320 -8.840 3.696) 9.858 3.301 ( -1.305 -0.001 -1.833) 2.250 3.374 ( 1.539 9.635 -1.549) 9.879 3.557 ( 2.590 -5.554 1.414) 6.289 3.667 ( 2.411 8.194 5.313) 10.059 3.811 ( 4.616 -6.762 -4.211) 9.207 4.041 ( -3.233 15.288 -11.015) 19.118 4.120 ( -7.383 3.452 0.608) 8.172 4.226 ( -5.641 8.187 2.893) 10.355 4.280 ( 5.767 13.341 8.391) 16.782 4.398 ( -3.696 15.820 2.964) 16.514 4.492 ( 2.498 8.539 -1.575) 9.035 4.899 ( -0.355 5.555 4.392) 7.090 4.936 ( -3.975 -0.678 -3.428) 5.293 5.016 ( -0.524 5.764 1.915) 6.097 5.146 ( 0.278 7.610 -1.153) 7.702 5.172 ( 2.433 4.924 -5.275) 7.616 5.234 ( 1.980 11.257 -2.566) 11.714 5.323 ( -2.198 -1.932 8.047) 8.562 5.466 ( 0.660 2.497 -5.139) 5.751 5.523 ( -5.031 0.808 -1.257) 5.248 5.758 ( -0.291 -1.396 -5.346) 5.533 5.893 ( -1.821 -13.608 -10.468) 17.264 5.994 ( -0.454 -9.924 7.024) 12.167 6.364 ( -5.514 -6.280 3.581) 9.092 6.398 ( -3.976 -14.067 -0.392) 14.624 6.581 ( 0.943 -14.891 -2.827) 15.186 6.626 ( 2.291 -9.994 5.548) 11.658 6.861 ( -0.882 -15.094 2.902) 15.396 6.886 ( -0.417 -8.780 -4.832) 10.031 7.026 ( -6.388 -5.582 -1.678) 8.648 7.194 ( 2.116 -4.158 0.215) 4.670 7.283 ( -1.365 2.192 5.442) 6.023 7.384 ( 2.769 -1.443 3.450) 4.653 7.471 ( 8.950 -0.019 0.351) 8.957 7.602 ( 10.289 -3.781 -3.366) 11.467 8.255 ( -2.586 9.989 -5.621) 11.751 8.396 ( 5.972 7.634 4.295) 10.602 9.036 ( -13.647 8.400 -0.737) 16.042 9.328 ( -1.732 -4.329 0.399) 4.680 11.583 ( -2.025 2.878 0.285) 3.530 11.623 ( -0.737 2.274 -0.475) 2.437 11.732 ( -1.498 -1.037 0.337) 1.852 11.757 ( -0.699 -1.420 -0.337) 1.619 12.034 ( -6.980 18.862 -5.081) 20.743 12.233 ( 2.641 21.588 7.326) 22.950 13.686 ( -4.134 -19.904 -1.859) 20.413 13.826 ( 2.780 -20.243 0.995) 20.458 14.729 ( -12.833 21.943 -5.110) 25.929 15.042 ( -7.725 21.289 8.008) 24.022 15.419 ( 4.314 2.103 1.111) 4.926 15.617 ( 2.315 -1.719 -1.020) 3.059 15.831 ( -1.552 -2.822 0.193) 3.227 15.883 ( -1.714 -4.195 0.724) 4.589 16.135 ( 3.394 -0.793 -1.523) 3.804 16.256 ( 4.996 0.164 1.549) 5.233 16.986 ( -6.963 9.926 -3.946) 12.751 17.260 ( 6.428 7.539 1.846) 10.078 17.501 ( -2.354 -2.826 2.777) 4.608 17.657 ( 4.186 -1.618 -2.957) 5.374 25.639 ( -1.428 8.511 0.025) 8.630 25.653 ( -1.249 6.785 -0.474) 6.916 26.020 ( -10.415 11.640 -7.974) 17.537 26.185 ( -1.411 1.833 6.153) 6.573 26.551 ( -5.962 25.287 -11.225) 28.302 26.655 ( -2.737 34.266 17.508) 38.577 28.361 ( -9.198 -20.796 -13.361) 26.374 28.581 ( 2.150 -19.973 15.135) 25.151 29.827 ( 6.457 13.901 -1.039) 15.363 29.981 ( 16.081 11.644 3.371) 20.138 30.557 ( 2.149 -8.097 2.957) 8.884 30.630 ( 6.076 -7.983 -3.681) 10.686 33.013 ( -1.575 3.086 -3.437) 4.880 33.062 ( 0.910 4.227 1.346) 4.529 33.200 ( -4.224 -1.995 -3.823) 6.037 33.330 ( -3.429 7.147 -5.625) 9.720 33.383 ( 0.109 2.699 3.768) 4.637 33.488 ( 6.780 4.451 1.314) 8.217 34.181 ( -5.813 -14.554 -6.081) 16.810 34.355 ( 3.808 -16.999 5.331) 18.217 42.628 ( -1.771 11.095 2.491) 11.508 42.674 ( 0.371 11.461 -2.434) 11.722 43.222 ( -0.788 -6.463 2.087) 6.837 43.283 ( 2.191 -6.546 -1.591) 7.084 52.204 ( -11.309 56.172 2.531) 57.355 52.487 ( 3.841 65.156 0.458) 65.270 55.558 ( -46.747 -42.871 -24.544) 68.012 57.453 ( 39.057 -84.641 -3.849) 93.297 ======================= Grid point 169 (87/104) ======================= q-point: ( 0.20 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.695 ( 8.119 4.762 -8.664) 12.793 1.930 ( 12.495 12.704 7.401) 19.295 2.160 ( -6.730 15.460 -19.238) 25.581 2.177 ( -5.484 10.184 13.117) 17.488 2.292 ( 0.045 -5.719 1.320) 5.869 2.467 ( 5.511 5.229 -3.322) 8.291 2.705 ( -3.857 -0.502 2.706) 4.738 2.765 ( 1.444 -2.111 16.389) 16.587 3.159 ( -1.716 -6.230 -2.401) 6.893 3.303 ( -4.879 -8.173 7.666) 12.222 3.438 ( 5.579 15.154 -3.034) 16.431 3.460 ( -6.841 -4.132 -1.394) 8.113 3.757 ( -2.506 6.024 -4.427) 7.884 3.850 ( 4.743 3.877 0.015) 6.126 3.926 ( -2.546 22.950 -4.350) 23.497 4.027 ( -0.982 14.947 -1.600) 15.065 4.106 ( -3.861 2.191 2.334) 5.016 4.310 ( -8.010 11.362 1.361) 13.968 4.510 ( 2.001 17.128 4.059) 17.716 4.556 ( 6.785 -0.134 5.988) 9.051 4.830 ( -4.498 -1.746 0.780) 4.887 4.917 ( -0.622 1.066 0.926) 1.543 5.004 ( -0.607 7.471 -1.982) 7.753 5.061 ( -5.507 5.013 2.042) 7.722 5.133 ( -0.322 12.130 -11.388) 16.641 5.270 ( 2.614 2.849 -4.506) 5.937 5.349 ( -1.517 -0.642 2.431) 2.937 5.420 ( -0.802 1.146 -6.631) 6.777 5.449 ( -0.410 3.461 -0.371) 3.505 5.665 ( -3.924 -0.603 -2.499) 4.691 5.791 ( 0.874 -10.991 -9.299) 14.423 5.928 ( -9.969 -9.411 3.324) 14.106 6.286 ( -4.749 -0.603 2.252) 5.290 6.416 ( 1.383 -16.870 6.004) 17.960 6.556 ( -0.967 -13.412 -1.973) 13.590 6.697 ( 0.122 -15.063 3.279) 15.416 6.827 ( 1.462 -4.151 -5.938) 7.391 6.856 ( -2.383 -13.657 -0.882) 13.891 6.942 ( -2.503 -5.818 2.987) 7.003 7.210 ( 2.085 -4.554 -3.818) 6.298 7.357 ( 3.906 3.272 3.367) 6.108 7.462 ( 1.950 -0.019 3.474) 3.984 7.621 ( 5.704 1.003 0.801) 5.847 7.787 ( 10.681 -5.699 0.112) 12.107 8.218 ( 2.907 8.716 -1.253) 9.273 8.547 ( 6.807 3.751 2.346) 8.118 8.819 ( -6.876 12.064 -2.112) 14.046 9.222 ( -8.782 -3.289 -0.351) 9.385 11.557 ( -0.809 2.515 0.186) 2.649 11.594 ( -1.765 3.368 -0.198) 3.808 11.700 ( -1.949 -0.027 -0.201) 1.960 11.731 ( -1.842 -1.180 -0.143) 2.192 11.894 ( -4.739 15.882 -1.808) 16.672 12.279 ( -3.364 20.445 3.371) 20.993 13.611 ( -1.425 -23.520 -1.981) 23.646 13.883 ( 2.722 -21.158 0.502) 21.338 14.513 ( -7.480 14.961 -2.172) 16.867 14.875 ( -13.017 8.899 2.899) 16.032 15.395 ( -6.366 -6.948 -1.631) 9.563 15.519 ( -9.925 -12.204 1.538) 15.805 15.904 ( 5.581 2.685 -2.316) 6.612 16.026 ( 10.043 8.799 9.664) 16.483 16.191 ( 2.842 0.399 -0.366) 2.894 16.315 ( 0.678 4.171 0.193) 4.231 16.857 ( -3.727 13.202 -1.479) 13.797 17.304 ( 0.862 6.464 -4.270) 7.795 17.557 ( 1.476 -2.047 7.496) 7.909 17.694 ( 2.767 -1.303 -2.474) 3.934 25.600 ( -3.845 9.468 -0.885) 10.257 25.608 ( -1.883 8.454 -0.156) 8.663 25.798 ( -5.931 16.245 -3.538) 17.652 26.145 ( -7.538 3.667 3.336) 9.022 26.448 ( -0.156 10.242 -3.004) 10.675 26.669 ( -8.963 31.158 10.578) 34.103 28.108 ( -7.464 -26.155 -7.492) 28.212 28.659 ( -6.179 -21.334 9.530) 24.169 29.929 ( 5.649 14.647 -1.707) 15.791 30.405 ( 15.693 2.519 9.878) 18.713 30.641 ( 3.679 -7.077 3.546) 8.729 30.787 ( 14.042 -6.774 2.905) 15.859 32.938 ( -2.118 2.405 -5.063) 5.991 33.056 ( -0.789 2.217 -2.131) 3.174 33.131 ( 1.443 0.849 -3.333) 3.730 33.231 ( -1.758 9.781 -2.271) 10.194 33.405 ( -2.106 1.699 3.384) 4.333 33.607 ( 5.605 3.660 -0.779) 6.739 34.023 ( -4.880 -13.046 -5.900) 15.128 34.429 ( 1.342 -15.251 0.590) 15.321 42.614 ( -2.235 11.131 2.427) 11.610 42.665 ( 0.398 11.167 -1.419) 11.264 43.235 ( -0.554 -7.398 3.083) 8.034 43.307 ( 2.041 -7.243 -1.761) 7.729 52.010 ( -13.637 50.690 5.466) 52.776 52.541 ( 0.480 65.286 0.490) 65.289 54.756 ( -16.997 -29.799 -11.818) 36.284 57.754 ( 8.613 -83.288 -20.109) 86.113 ======================= Grid point 170 (88/104) ======================= q-point: ( 0.30 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.698 ( -7.931 13.621 -8.883) 18.092 1.914 ( 9.274 4.325 -4.936) 11.362 2.134 ( -0.951 7.239 6.782) 9.965 2.267 ( 3.617 4.915 11.887) 13.362 2.371 ( 1.271 2.576 4.638) 5.455 2.535 ( 3.422 2.659 2.341) 4.926 2.627 ( -7.739 -4.005 2.114) 8.967 2.923 ( 0.991 1.845 8.320) 8.580 3.103 ( -0.647 -0.228 -4.057) 4.115 3.204 ( -9.940 -6.878 1.256) 12.153 3.276 ( -10.385 1.002 4.863) 11.511 3.570 ( 0.779 11.275 2.996) 11.692 3.601 ( -6.283 9.624 -2.013) 11.668 3.699 ( -11.341 22.826 2.541) 25.615 3.977 ( 1.927 11.629 -5.926) 13.194 4.090 ( 5.344 8.025 3.819) 10.371 4.112 ( -1.026 4.350 -4.147) 6.097 4.197 ( 2.806 20.621 -1.368) 20.856 4.459 ( -2.928 6.544 -6.045) 9.378 4.689 ( 2.383 0.719 1.223) 2.773 4.808 ( -2.104 0.684 4.014) 4.583 4.888 ( -4.724 -2.518 0.588) 5.386 4.943 ( -7.201 11.947 -11.247) 17.919 4.990 ( -1.358 10.385 3.274) 10.974 5.070 ( 5.160 7.606 0.234) 9.194 5.180 ( -0.684 0.890 -11.691) 11.745 5.326 ( 2.287 -2.750 -5.372) 6.454 5.392 ( -1.480 0.995 2.322) 2.928 5.435 ( -3.669 0.127 -0.838) 3.766 5.593 ( -1.458 1.372 -2.413) 3.136 5.755 ( 0.571 -5.280 -3.200) 6.200 5.786 ( -6.767 -2.699 3.701) 8.172 6.258 ( -1.215 0.360 3.693) 3.905 6.482 ( 0.064 -12.612 -0.167) 12.614 6.533 ( 0.312 -12.933 3.238) 13.336 6.693 ( -0.942 -20.337 -0.980) 20.383 6.800 ( -1.679 -9.477 0.033) 9.624 6.824 ( 2.955 -4.104 -5.232) 7.277 6.963 ( -0.756 -6.283 5.886) 8.643 7.207 ( 2.065 -5.624 -5.022) 7.818 7.458 ( 3.864 1.690 2.176) 4.746 7.524 ( 2.003 0.114 2.810) 3.452 7.716 ( 4.593 1.123 0.669) 4.776 7.939 ( 4.354 -5.856 0.090) 7.298 8.337 ( 8.252 6.173 3.281) 10.816 8.657 ( 1.701 2.846 2.350) 4.064 8.769 ( 4.219 8.580 -3.312) 10.118 9.060 ( -6.412 1.321 -1.726) 6.770 11.553 ( -0.489 2.502 0.244) 2.561 11.568 ( -0.213 3.471 -0.169) 3.481 11.659 ( -2.147 1.624 -0.279) 2.707 11.690 ( -2.539 -0.767 0.007) 2.652 11.822 ( -2.755 13.153 0.751) 13.460 12.191 ( -5.801 17.364 -2.184) 18.437 13.604 ( 1.108 -29.296 0.653) 29.324 13.930 ( 2.378 -26.099 -1.093) 26.230 14.401 ( -4.082 12.107 0.563) 12.789 14.659 ( -11.142 5.924 -0.359) 12.624 15.243 ( -7.126 -11.638 -1.982) 13.790 15.359 ( -8.466 -13.947 1.381) 16.374 15.981 ( 5.343 4.774 -3.076) 7.798 16.210 ( 1.669 4.758 2.106) 5.464 16.228 ( 1.352 1.784 0.772) 2.368 16.309 ( -0.950 6.293 1.424) 6.521 16.843 ( 0.403 16.614 4.929) 17.335 17.270 ( 0.792 6.826 -5.549) 8.832 17.628 ( 0.206 -0.933 4.512) 4.612 17.725 ( 1.730 -1.416 -0.015) 2.235 25.520 ( -3.514 14.960 0.400) 15.372 25.582 ( -0.951 6.826 0.185) 6.895 25.719 ( -1.991 12.086 -0.480) 12.259 25.990 ( -10.071 10.279 0.286) 14.393 26.448 ( 1.383 5.280 -0.803) 5.517 26.587 ( -5.001 19.579 2.054) 20.312 27.957 ( -4.455 -29.315 -1.524) 29.690 28.553 ( -9.963 -24.714 1.676) 26.699 30.014 ( 4.524 15.029 0.633) 15.708 30.581 ( 2.438 2.008 -1.143) 3.359 30.746 ( 3.999 -5.630 4.413) 8.195 31.143 ( 11.087 -11.361 10.152) 18.843 32.871 ( -0.482 3.359 -2.427) 4.172 33.055 ( 1.469 2.632 -0.400) 3.041 33.138 ( 0.706 3.231 -1.884) 3.806 33.257 ( 4.526 4.478 3.408) 7.222 33.371 ( -3.496 3.668 1.749) 5.361 33.679 ( 4.467 1.626 -3.412) 5.851 33.907 ( -2.952 -10.756 -3.271) 11.624 34.417 ( -0.892 -14.205 -3.889) 14.754 42.595 ( -1.791 11.063 1.993) 11.383 42.659 ( 0.282 10.881 -1.389) 10.973 43.251 ( -1.062 -8.067 3.406) 8.821 43.323 ( 1.578 -7.771 -1.995) 8.176 51.841 ( -9.023 47.797 5.858) 48.992 52.496 ( -3.353 62.575 -4.283) 62.811 54.717 ( 3.549 -34.538 21.593) 40.887 57.525 ( -5.440 -76.481 -30.228) 82.418 ======================= Grid point 171 (89/104) ======================= q-point: ( 0.40 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 1.906 11.678 2.502) 12.094 2.117 ( 9.062 5.357 2.322) 10.780 2.225 ( 3.871 0.356 7.975) 8.872 2.260 ( -7.895 3.094 -3.254) 9.083 2.434 ( -2.834 -0.920 4.409) 5.322 2.511 ( -3.939 -6.460 11.211) 13.525 2.636 ( -0.210 3.245 6.139) 6.947 2.945 ( -0.757 3.550 -0.853) 3.729 3.031 ( -1.766 2.265 -6.520) 7.125 3.048 ( -5.888 7.241 0.333) 9.339 3.168 ( -9.527 -2.044 8.894) 13.192 3.376 ( -10.260 3.590 -4.754) 11.864 3.548 ( -3.581 23.043 6.558) 24.224 3.702 ( 2.066 10.908 4.116) 11.840 3.923 ( -1.664 14.962 -7.811) 16.960 4.027 ( -0.233 12.381 2.090) 12.558 4.111 ( -3.839 3.979 -4.833) 7.344 4.338 ( 7.932 20.524 0.329) 22.006 4.423 ( 4.036 9.731 -2.801) 10.901 4.608 ( -5.533 16.441 -14.261) 22.457 4.726 ( -9.123 7.518 3.817) 12.423 4.819 ( -0.254 -6.648 -1.366) 6.791 4.872 ( 2.220 -6.464 1.370) 6.971 4.935 ( -1.290 0.624 -8.634) 8.752 5.071 ( 1.672 6.251 0.324) 6.479 5.251 ( 3.998 9.756 0.392) 10.551 5.296 ( -3.449 -3.353 -3.151) 5.751 5.323 ( 0.786 -1.260 -5.428) 5.628 5.396 ( -1.135 -0.289 3.286) 3.488 5.545 ( -2.768 1.457 1.503) 3.470 5.744 ( -1.075 6.887 2.326) 7.348 5.760 ( 1.175 -0.703 -1.541) 2.062 6.282 ( -0.812 0.431 3.722) 3.834 6.436 ( -0.247 -7.223 -5.604) 9.145 6.604 ( 1.005 -16.609 5.351) 17.479 6.670 ( -0.417 -19.045 -0.678) 19.061 6.792 ( -0.415 -12.309 2.138) 12.500 6.846 ( 3.646 -4.486 -3.364) 6.688 7.000 ( -0.703 -4.808 5.069) 7.022 7.192 ( 1.286 -6.068 -5.352) 8.193 7.531 ( 1.346 0.201 3.271) 3.543 7.587 ( 3.149 -2.312 -0.106) 3.908 7.801 ( 3.674 0.322 0.602) 3.736 7.946 ( -2.349 -4.361 -0.649) 4.995 8.538 ( 8.768 3.721 4.111) 10.374 8.682 ( -0.795 4.605 2.987) 5.546 8.830 ( 3.282 4.453 -2.353) 6.011 8.979 ( -0.323 2.927 -3.246) 4.382 11.544 ( -0.259 4.596 0.497) 4.630 11.583 ( 1.350 1.782 -0.147) 2.240 11.620 ( -1.808 2.117 -0.274) 2.797 11.640 ( -2.793 0.264 0.052) 2.806 11.805 ( -0.848 11.814 2.686) 12.145 12.059 ( -4.286 14.383 -5.125) 15.859 13.655 ( 2.211 -34.190 3.689) 34.460 13.934 ( -0.026 -33.421 -3.546) 33.609 14.363 ( -1.444 10.588 1.589) 10.803 14.484 ( -6.294 7.895 -1.655) 10.232 15.131 ( -3.009 -13.258 -0.731) 13.614 15.234 ( -5.994 -13.889 0.230) 15.128 16.043 ( 4.183 5.572 -2.309) 7.340 16.179 ( -2.832 6.293 -2.095) 7.211 16.248 ( 0.594 1.883 0.614) 2.067 16.307 ( -1.135 4.144 0.795) 4.370 16.929 ( 1.066 16.143 8.702) 18.370 17.233 ( 1.098 8.487 -6.474) 10.731 17.666 ( 0.168 -0.914 3.535) 3.655 17.744 ( 0.398 -1.496 -0.154) 1.556 25.490 ( -1.157 16.115 2.321) 16.323 25.578 ( 0.338 8.422 0.069) 8.429 25.691 ( -0.857 11.405 -0.483) 11.447 25.819 ( -7.167 10.886 -1.525) 13.122 26.470 ( 1.254 3.807 -0.013) 4.008 26.534 ( -1.699 10.760 -0.581) 10.909 27.923 ( 0.058 -30.958 3.217) 31.125 28.357 ( -9.271 -28.386 -4.260) 30.164 30.116 ( 4.360 14.851 4.039) 15.996 30.539 ( -2.648 7.845 -6.077) 10.270 30.879 ( 4.408 -7.422 7.676) 11.551 31.289 ( 0.453 -12.600 0.311) 12.612 32.893 ( 2.877 4.641 2.247) 5.905 33.075 ( 0.671 4.518 0.180) 4.571 33.128 ( 0.155 5.205 -1.473) 5.412 33.259 ( -5.224 4.945 -1.358) 7.321 33.465 ( 5.386 -2.261 9.781) 11.393 33.714 ( 3.621 -0.905 -4.757) 6.047 33.867 ( 0.439 -9.497 0.766) 9.538 34.326 ( -3.035 -13.824 -8.137) 16.325 42.588 ( -0.975 10.803 1.935) 11.018 42.649 ( 0.202 10.744 -1.755) 10.888 43.259 ( -1.250 -8.156 3.321) 8.894 43.329 ( 1.181 -8.064 -2.295) 8.467 51.813 ( -1.588 47.420 9.118) 48.315 52.356 ( -4.660 58.763 -9.027) 59.634 55.118 ( 5.717 -44.732 41.670) 61.400 57.090 ( -6.088 -70.636 -38.461) 80.658 ======================= Grid point 172 (90/104) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( 11.369 6.409 9.732) 16.280 1.962 ( -14.230 2.254 -6.953) 15.998 2.291 ( 4.463 0.551 6.045) 7.534 2.351 ( -2.224 -7.037 1.566) 7.545 2.444 ( 9.293 1.225 3.027) 9.850 2.539 ( -7.067 10.172 -4.850) 13.301 2.689 ( 0.748 -1.712 16.152) 16.260 2.857 ( -8.556 5.708 3.472) 10.855 2.954 ( -3.174 -1.838 1.669) 4.029 3.085 ( 3.106 4.737 0.467) 5.684 3.116 ( 4.774 3.449 -3.334) 6.768 3.189 ( -0.184 5.298 -5.396) 7.564 3.627 ( 3.759 18.007 7.143) 19.733 3.763 ( 1.971 14.198 -2.959) 14.637 3.858 ( 3.042 13.200 -2.723) 13.817 3.969 ( -3.269 8.830 -8.915) 12.967 4.119 ( 3.383 13.807 8.803) 16.721 4.350 ( -6.799 24.658 -12.038) 28.270 4.427 ( 0.270 17.009 1.499) 17.077 4.479 ( 1.607 5.011 -2.532) 5.840 4.609 ( -7.171 4.207 4.968) 9.685 4.755 ( 1.667 0.191 -8.573) 8.736 4.900 ( -0.613 -4.633 2.757) 5.426 4.931 ( 2.573 -6.050 -2.479) 7.026 5.133 ( -1.596 2.072 5.374) 5.977 5.220 ( -2.561 1.270 -1.482) 3.220 5.228 ( 1.884 -1.391 -0.938) 2.522 5.305 ( 2.339 -2.328 -8.141) 8.784 5.480 ( 3.956 9.228 3.142) 10.521 5.514 ( -1.403 3.379 -0.359) 3.676 5.752 ( 0.333 8.025 0.604) 8.055 5.771 ( 1.659 1.311 -1.618) 2.662 6.287 ( -2.250 -1.689 4.282) 5.124 6.392 ( 1.391 -3.852 -5.770) 7.076 6.641 ( -1.115 -17.730 2.976) 18.012 6.667 ( 0.465 -17.980 -0.216) 17.988 6.801 ( -2.335 -9.671 3.695) 10.613 6.885 ( 2.738 -7.571 -2.442) 8.413 7.035 ( -0.493 -5.359 4.631) 7.099 7.156 ( 0.727 -5.382 -5.870) 7.997 7.566 ( -0.685 -1.794 3.066) 3.618 7.623 ( 1.593 -3.126 -2.050) 4.064 7.850 ( -1.369 -1.876 2.305) 3.272 7.884 ( -1.200 -1.236 -0.751) 1.879 8.666 ( -1.993 4.907 3.150) 6.162 8.710 ( 4.822 2.553 -0.173) 5.458 8.848 ( -0.750 4.359 2.691) 5.177 8.935 ( -1.597 2.518 -4.894) 5.731 11.561 ( 1.358 3.905 1.023) 4.259 11.581 ( -1.798 2.059 -0.757) 2.836 11.595 ( -1.417 1.912 0.884) 2.539 11.617 ( 1.823 1.488 -1.011) 2.561 11.842 ( 1.382 12.130 4.540) 13.025 11.952 ( -1.792 13.096 -5.889) 14.470 13.747 ( 2.682 -36.553 5.626) 37.080 13.864 ( -2.576 -35.912 -5.594) 36.436 14.371 ( 0.885 9.399 1.596) 9.574 14.406 ( -0.731 9.283 -1.798) 9.484 15.130 ( 1.940 -13.586 0.793) 13.746 15.148 ( -2.080 -13.612 -0.928) 13.801 16.095 ( 2.119 6.282 -0.756) 6.672 16.100 ( -2.969 6.669 -1.288) 7.413 16.267 ( 0.522 2.667 1.128) 2.943 16.287 ( -0.620 2.805 -0.704) 2.958 17.020 ( 0.153 13.567 8.575) 16.051 17.187 ( 0.797 10.646 -7.661) 13.140 17.687 ( -2.318 -1.237 4.198) 4.952 17.752 ( 2.324 -1.347 -2.220) 3.485 25.513 ( 0.610 16.152 3.290) 16.495 25.581 ( 0.724 15.557 -2.882) 15.838 25.680 ( -0.897 9.026 1.849) 9.257 25.724 ( -0.473 6.711 -2.018) 7.024 26.491 ( 0.823 4.955 0.453) 5.043 26.505 ( -0.928 6.145 -0.924) 6.283 28.019 ( 5.526 -31.041 6.431) 32.178 28.161 ( -5.914 -30.617 -7.049) 31.970 30.246 ( 4.127 13.698 6.981) 15.919 30.400 ( -4.911 11.921 -7.787) 15.063 31.038 ( 3.579 -9.174 10.206) 14.182 31.213 ( -4.761 -11.360 -5.888) 13.652 33.000 ( 4.464 5.052 4.507) 8.109 33.077 ( -0.534 5.169 -1.764) 5.488 33.125 ( 0.364 5.780 -0.807) 5.847 33.139 ( -3.662 6.308 -2.303) 7.649 33.588 ( -1.355 -3.176 8.011) 8.723 33.727 ( 2.718 -3.113 -5.247) 6.679 33.962 ( 5.539 -10.833 7.041) 14.057 34.159 ( -5.289 -13.475 -11.415) 18.435 42.594 ( -0.407 10.503 2.051) 10.709 42.637 ( 0.441 10.850 -2.027) 11.047 43.267 ( -1.181 -8.029 3.206) 8.726 43.327 ( 1.029 -8.191 -2.522) 8.632 51.931 ( 3.327 49.262 11.942) 50.798 52.182 ( -3.191 55.593 -12.004) 56.963 55.636 ( 5.964 -52.212 47.478) 70.823 56.629 ( -1.659 -66.444 -46.860) 81.323 ======================= Grid point 173 (91/104) ======================= q-point: (-0.40 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( -10.323 6.621 -4.380) 13.022 2.065 ( 6.161 5.670 8.030) 11.601 2.231 ( -14.517 14.116 -1.777) 20.326 2.358 ( 3.744 -4.365 -3.913) 6.956 2.478 ( 7.552 1.549 -1.773) 7.911 2.598 ( 3.431 2.403 1.516) 4.455 2.747 ( -4.310 1.689 6.229) 7.761 2.849 ( 0.554 -4.070 1.566) 4.396 2.897 ( -0.256 -3.020 3.755) 4.826 3.153 ( 7.450 9.612 -5.950) 13.539 3.228 ( 10.669 2.888 5.545) 12.366 3.366 ( 14.150 -1.187 -3.574) 14.642 3.734 ( 4.264 22.229 -10.054) 24.767 3.789 ( 6.286 16.699 1.067) 17.875 3.808 ( -5.344 16.565 -4.115) 17.885 3.981 ( 6.751 7.701 5.362) 11.560 4.150 ( -4.247 19.261 -7.766) 21.198 4.299 ( 3.164 6.515 12.503) 14.450 4.386 ( -3.078 18.437 -3.960) 19.107 4.406 ( -4.349 11.543 -1.593) 12.438 4.609 ( -0.244 0.275 11.248) 11.254 4.789 ( 4.777 2.622 -1.788) 5.735 4.888 ( -1.287 -5.386 -1.265) 5.681 4.940 ( 2.632 -9.690 -3.722) 10.709 5.104 ( -6.708 -3.986 8.129) 11.268 5.182 ( 0.324 3.392 -4.028) 5.276 5.286 ( 1.145 -1.001 -1.991) 2.506 5.289 ( 2.759 3.882 -1.074) 4.882 5.481 ( 1.649 1.380 -4.369) 4.869 5.561 ( 2.136 7.708 0.345) 8.006 5.758 ( 0.310 4.930 -0.909) 5.023 5.805 ( 4.582 0.198 -2.933) 5.444 6.290 ( -1.858 -3.340 4.771) 6.113 6.386 ( 2.531 -1.134 -3.329) 4.333 6.635 ( -1.674 -18.731 2.083) 18.921 6.671 ( 0.096 -18.438 -0.528) 18.446 6.770 ( -4.059 -4.653 3.348) 7.024 6.869 ( -0.802 -10.678 -4.748) 11.714 7.060 ( -1.349 -6.216 4.935) 8.051 7.130 ( 1.348 -4.968 -4.533) 6.859 7.556 ( -2.788 -0.862 1.211) 3.160 7.614 ( 0.210 -0.401 -2.825) 2.861 7.786 ( -5.373 -1.107 2.361) 5.973 7.910 ( 0.565 -3.442 2.232) 4.141 8.600 ( -6.263 5.192 -0.465) 8.149 8.738 ( -1.149 5.763 -1.722) 6.124 8.820 ( -4.488 2.438 -3.339) 6.102 8.896 ( 1.271 2.966 4.838) 5.815 11.554 ( -0.345 3.570 -0.417) 3.611 11.572 ( -1.301 1.972 0.775) 2.486 11.609 ( 2.371 1.256 0.535) 2.736 11.651 ( 2.606 1.426 -0.832) 3.085 11.881 ( 0.006 13.098 -4.203) 13.756 11.947 ( 4.492 13.842 4.874) 15.347 13.747 ( -3.615 -32.563 -4.530) 33.074 13.848 ( 1.653 -34.270 4.273) 34.575 14.405 ( 2.072 10.360 -2.300) 10.813 14.445 ( 6.008 7.282 2.033) 9.657 15.126 ( 1.940 -13.454 -0.291) 13.596 15.230 ( 6.566 -13.582 0.575) 15.097 16.013 ( -4.924 6.834 0.428) 8.434 16.146 ( 2.294 6.086 1.006) 6.581 16.261 ( -0.773 1.944 -0.579) 2.171 16.303 ( 1.532 2.813 0.825) 3.308 17.090 ( -0.313 11.425 5.940) 12.881 17.119 ( -0.218 12.546 -7.599) 14.669 17.663 ( -3.082 -1.402 2.551) 4.239 17.783 ( 2.752 -1.129 -2.420) 3.834 25.546 ( 0.216 16.477 -1.396) 16.538 25.568 ( 1.645 14.850 -0.421) 14.947 25.684 ( 0.540 6.089 0.450) 6.129 25.783 ( 6.392 9.872 1.479) 11.853 26.477 ( -1.401 4.173 -0.686) 4.455 26.518 ( 1.919 9.564 0.884) 9.794 28.023 ( -1.884 -30.936 -6.438) 31.655 28.236 ( 10.750 -29.104 7.116) 31.831 30.223 ( -6.358 14.282 -6.025) 16.754 30.394 ( 3.662 10.692 7.443) 13.533 31.038 ( -6.882 -9.396 -6.983) 13.580 31.182 ( 1.384 -10.904 9.837) 14.750 32.977 ( -4.061 5.467 -5.664) 8.858 33.073 ( 0.324 4.864 0.772) 4.936 33.103 ( -0.125 5.085 0.951) 5.175 33.213 ( 6.402 5.597 2.626) 8.900 33.599 ( -3.626 -1.067 6.339) 7.380 33.701 ( 0.101 -4.926 -9.580) 10.773 33.943 ( -6.445 -11.989 -8.860) 16.241 34.146 ( 5.538 -11.983 8.707) 15.813 42.607 ( -0.202 10.406 1.712) 10.547 42.633 ( 1.198 11.150 -1.769) 11.353 43.273 ( -1.234 -7.847 2.955) 8.475 43.323 ( 1.092 -8.253 -2.586) 8.717 52.028 ( -0.018 54.050 -9.730) 54.919 52.144 ( 6.489 52.703 9.567) 53.955 56.142 ( -0.570 -61.157 -44.894) 75.868 56.209 ( 8.406 -58.159 35.982) 68.904 ======================= Grid point 174 (92/104) ======================= q-point: (-0.30 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 0.973 16.697 4.689) 17.370 1.885 ( -17.045 15.779 -3.185) 23.444 2.167 ( -1.891 7.550 3.436) 8.508 2.408 ( 3.480 2.614 -3.005) 5.289 2.521 ( -0.038 10.659 -6.890) 12.692 2.618 ( -0.041 3.811 -1.837) 4.231 2.754 ( -0.972 -8.051 -9.372) 12.393 2.837 ( 3.861 -10.094 8.948) 14.031 3.032 ( 5.376 -1.389 4.966) 7.449 3.261 ( 8.188 9.154 -4.924) 13.232 3.477 ( 8.097 -6.092 -8.616) 13.300 3.509 ( 5.907 1.341 6.881) 9.168 3.592 ( -11.255 22.051 1.436) 24.799 3.815 ( 12.991 23.336 -8.304) 27.970 3.915 ( 0.638 21.184 -2.455) 21.335 4.098 ( 5.594 9.418 -1.232) 11.023 4.142 ( 5.674 7.112 1.291) 9.189 4.222 ( -7.282 11.174 -3.395) 13.763 4.338 ( 3.682 5.240 0.915) 6.470 4.559 ( 5.295 11.737 12.144) 17.700 4.748 ( -1.041 1.584 7.237) 7.481 4.804 ( 3.401 -4.863 5.953) 8.406 4.921 ( 3.341 -2.567 1.301) 4.410 4.955 ( 2.858 -5.314 -4.702) 7.650 5.041 ( -7.646 -5.344 5.938) 11.058 5.147 ( 0.738 6.436 -3.743) 7.482 5.242 ( -3.196 5.014 -0.734) 5.992 5.376 ( 5.705 -0.455 2.544) 6.263 5.490 ( 3.447 -1.281 -6.152) 7.167 5.562 ( -2.039 4.766 0.179) 5.187 5.751 ( 0.335 2.838 -1.702) 3.326 5.887 ( 7.873 -6.669 -4.458) 11.240 6.302 ( -0.058 -1.425 1.450) 2.034 6.428 ( 3.039 -2.139 0.891) 3.822 6.622 ( -0.994 -18.573 -0.170) 18.600 6.648 ( -1.955 -18.137 0.022) 18.242 6.739 ( -1.769 -3.931 2.741) 5.108 6.821 ( 0.061 -10.647 -2.026) 10.838 7.068 ( -0.699 -5.502 -1.209) 5.676 7.105 ( -2.075 -6.595 1.847) 7.156 7.492 ( -3.681 1.865 -0.890) 4.221 7.584 ( -0.965 2.675 -2.647) 3.885 7.711 ( -4.669 -1.003 1.442) 4.989 7.909 ( -4.200 -5.499 2.762) 7.451 8.429 ( -8.852 7.763 -5.137) 12.846 8.670 ( -7.041 5.543 5.252) 10.387 8.734 ( -0.342 5.344 -4.154) 6.777 9.009 ( 7.202 1.155 2.983) 7.880 11.557 ( 0.102 2.734 -0.133) 2.739 11.562 ( 0.472 3.268 0.411) 3.327 11.656 ( 2.397 0.898 0.035) 2.560 11.692 ( 2.139 -0.095 -0.185) 2.149 11.860 ( 1.463 14.047 -3.024) 14.443 12.107 ( 7.338 16.633 5.460) 18.982 13.648 ( -2.828 -28.100 -3.396) 28.445 13.886 ( -1.050 -27.192 2.989) 27.375 14.432 ( 3.313 13.229 -2.292) 13.829 14.635 ( 12.309 4.552 1.915) 13.262 15.212 ( 6.784 -11.784 0.887) 13.626 15.372 ( 8.379 -13.326 0.053) 15.742 15.929 ( -5.238 5.689 1.863) 7.955 16.194 ( 1.027 5.626 2.020) 6.065 16.239 ( -1.049 0.298 -0.617) 1.253 16.337 ( 1.230 3.524 0.038) 3.733 17.004 ( -2.161 15.600 -9.678) 18.485 17.154 ( 0.242 8.577 5.868) 10.395 17.633 ( -2.211 -1.382 1.975) 3.271 17.793 ( 1.334 -1.416 -4.180) 4.610 25.543 ( 1.815 16.256 -1.662) 16.442 25.596 ( 1.695 8.869 -1.093) 9.095 25.711 ( 1.859 9.057 0.250) 9.250 25.966 ( 10.839 9.151 2.407) 14.388 26.442 ( -1.857 4.064 -0.220) 4.473 26.605 ( 8.194 21.055 0.418) 22.597 27.976 ( 1.653 -29.672 -3.406) 29.913 28.521 ( 13.607 -24.566 4.573) 28.452 30.057 ( -6.631 15.403 -3.494) 17.130 30.503 ( 0.723 5.109 6.004) 7.917 30.852 ( -6.658 -7.351 -5.628) 11.403 31.238 ( -3.605 -13.229 3.569) 14.169 32.873 ( -2.314 3.864 -2.932) 5.374 33.063 ( -1.164 3.686 -0.826) 3.953 33.112 ( -0.026 4.355 0.806) 4.429 33.341 ( 3.837 1.320 0.230) 4.065 33.488 ( -7.388 -2.567 -15.654) 17.499 33.591 ( -2.569 3.140 5.114) 6.528 33.851 ( -1.010 -9.694 2.074) 9.964 34.303 ( 3.537 -12.239 6.741) 14.413 42.618 ( 0.200 10.609 1.093) 10.667 42.649 ( 2.097 11.357 -1.563) 11.654 43.274 ( -1.470 -7.574 2.530) 8.120 43.319 ( 1.021 -8.327 -2.677) 8.806 52.002 ( 8.237 53.135 -9.054) 54.527 52.356 ( 6.171 57.544 8.826) 58.543 55.546 ( -8.552 -50.916 -57.303) 77.132 56.780 ( 8.986 -63.143 41.162) 75.908 ======================= Grid point 175 (93/104) ======================= q-point: (-0.20 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -13.690 17.631 1.099) 22.349 1.747 ( 4.674 22.040 16.692) 28.040 2.075 ( -8.238 10.979 -3.800) 14.243 2.362 ( -7.014 6.931 1.518) 9.977 2.467 ( -5.008 -0.467 -10.524) 11.664 2.488 ( 5.595 9.169 -13.109) 16.948 2.745 ( 3.632 -1.924 0.043) 4.110 2.969 ( 2.512 -7.537 2.097) 8.217 3.113 ( 0.368 -0.933 0.241) 1.031 3.267 ( -11.752 22.720 5.168) 26.096 3.412 ( 0.733 -2.079 1.427) 2.626 3.523 ( 5.478 -8.832 -6.887) 12.468 3.693 ( 3.153 2.730 2.273) 4.750 3.828 ( -5.426 11.458 -1.629) 12.782 3.927 ( 5.296 18.097 -6.809) 20.048 4.120 ( 4.041 10.326 -6.187) 12.698 4.201 ( 8.824 6.302 -5.596) 12.202 4.326 ( 11.068 15.586 0.923) 19.138 4.469 ( 3.904 4.196 5.072) 7.654 4.623 ( -4.585 -0.628 1.792) 4.962 4.807 ( 2.845 0.414 7.542) 8.072 4.888 ( -9.836 1.433 0.600) 9.958 4.931 ( 1.890 0.812 0.004) 2.057 5.023 ( 3.489 0.466 3.562) 5.008 5.053 ( 6.306 2.122 9.140) 11.305 5.160 ( 3.009 12.006 -2.463) 12.620 5.210 ( -2.420 -3.630 6.443) 7.781 5.460 ( -0.151 4.897 -2.444) 5.475 5.491 ( 3.827 -4.886 -4.731) 7.804 5.560 ( 2.692 -2.606 4.260) 5.674 5.738 ( -0.035 2.264 -1.623) 2.786 6.006 ( 8.918 -11.425 -3.611) 14.936 6.322 ( 2.288 -0.259 -0.650) 2.393 6.479 ( 0.275 -8.141 0.594) 8.167 6.577 ( 0.088 -14.735 -4.949) 15.544 6.660 ( -0.479 -19.077 6.460) 20.147 6.748 ( 0.254 -5.084 1.073) 5.202 6.834 ( 1.829 -10.071 0.569) 10.251 7.005 ( -2.633 -6.460 -2.523) 7.418 7.106 ( -1.970 -4.730 5.260) 7.343 7.424 ( -2.033 2.714 -1.928) 3.901 7.522 ( -3.556 2.919 -2.041) 5.033 7.638 ( -4.015 -0.900 -0.757) 4.183 7.780 ( -11.360 -5.883 0.906) 12.825 8.233 ( -6.789 10.471 -2.932) 12.819 8.587 ( -4.577 5.348 -0.342) 7.047 8.758 ( 4.329 9.120 2.446) 10.387 9.206 ( 11.191 -3.828 1.158) 11.884 11.563 ( 1.121 2.627 -0.376) 2.881 11.588 ( 1.450 3.429 0.428) 3.747 11.699 ( 2.367 0.676 -0.181) 2.468 11.724 ( 1.287 -1.207 0.464) 1.825 11.881 ( 2.563 15.225 -0.456) 15.446 12.292 ( 7.772 20.292 2.157) 21.836 13.595 ( -0.452 -24.474 -0.618) 24.486 13.874 ( -2.014 -21.501 1.216) 21.629 14.494 ( 4.972 17.405 -0.367) 18.105 14.909 ( 16.099 5.246 -0.214) 16.934 15.362 ( 7.255 -7.007 1.354) 10.177 15.534 ( 8.892 -11.231 0.046) 14.325 15.865 ( -2.840 1.720 1.519) 3.651 16.184 ( -3.656 3.214 -1.661) 5.143 16.201 ( -3.411 0.770 -2.130) 4.094 16.327 ( -1.380 5.302 -1.749) 5.750 16.890 ( -0.911 16.095 -5.403) 17.002 17.213 ( 0.898 7.080 4.562) 8.470 17.618 ( -1.481 -1.768 1.790) 2.920 17.747 ( -0.918 -2.345 -7.133) 7.564 25.586 ( 3.143 11.761 0.342) 12.179 25.617 ( 2.179 9.337 -1.249) 9.669 25.754 ( 2.426 13.172 1.058) 13.435 26.167 ( 7.796 -1.114 0.739) 7.910 26.412 ( -1.351 5.548 0.743) 5.758 26.876 ( 24.571 38.992 -7.442) 46.685 28.017 ( 3.678 -27.310 1.283) 27.587 28.779 ( 11.798 -18.292 -1.850) 21.845 29.921 ( -6.146 15.993 -0.711) 17.149 30.502 ( -5.351 -2.353 0.461) 5.864 30.695 ( -6.569 -6.128 -2.786) 9.405 31.020 ( -17.114 -13.222 -13.542) 25.517 32.854 ( 0.623 2.007 2.297) 3.114 33.000 ( -4.058 -1.005 0.067) 4.181 33.106 ( -1.069 3.945 0.079) 4.088 33.236 ( -2.228 7.873 -3.742) 8.997 33.421 ( -0.552 -2.267 1.237) 2.641 33.601 ( 0.326 8.387 0.436) 8.405 33.894 ( 1.267 -11.419 6.380) 13.142 34.393 ( 1.010 -12.436 3.559) 12.974 42.632 ( -0.049 10.562 1.295) 10.642 42.680 ( 3.559 11.423 -3.177) 12.379 43.265 ( -1.787 -7.134 2.109) 7.651 43.305 ( 0.217 -8.109 -3.131) 8.695 52.198 ( 21.564 51.723 -10.060) 56.934 52.502 ( 2.534 61.809 4.306) 62.011 54.898 ( -10.028 -31.745 -31.257) 45.665 57.211 ( -0.722 -68.382 31.508) 75.295 ======================= Grid point 176 (94/104) ======================= q-point: (-0.10 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -5.261 15.838 10.392) 19.660 1.822 ( -6.222 14.488 -0.319) 15.771 1.947 ( -7.813 21.384 9.814) 24.792 2.222 ( -8.538 8.210 0.605) 11.861 2.325 ( 1.467 -4.311 -4.577) 6.456 2.516 ( 6.472 6.442 -12.449) 15.439 2.814 ( 1.990 -1.563 -1.292) 2.841 2.952 ( 3.054 2.364 -9.342) 10.109 3.100 ( -2.264 0.769 2.840) 3.712 3.153 ( -6.874 17.939 14.931) 24.331 3.423 ( -1.971 -8.693 -2.931) 9.383 3.532 ( 0.879 -9.134 -3.006) 9.656 3.708 ( 0.767 9.338 0.389) 9.378 3.765 ( -3.229 -7.774 0.986) 8.476 3.970 ( 5.329 9.793 -2.971) 11.538 4.174 ( 6.086 4.596 -4.604) 8.908 4.313 ( 7.919 9.256 -5.226) 13.255 4.463 ( -6.377 -0.211 -0.134) 6.382 4.486 ( 3.145 16.824 -5.519) 17.984 4.534 ( -1.130 15.029 -7.876) 17.005 4.756 ( -5.300 1.871 10.576) 11.977 4.911 ( 3.483 0.272 1.567) 3.829 4.996 ( 2.424 6.105 3.903) 7.641 5.096 ( 0.338 -3.026 2.251) 3.786 5.164 ( -0.307 15.389 -1.484) 15.463 5.176 ( 1.673 8.240 3.962) 9.295 5.262 ( -2.135 -5.830 10.293) 12.020 5.479 ( 2.715 1.134 -2.449) 3.828 5.543 ( 9.652 -3.423 -4.626) 11.237 5.653 ( 0.627 -0.344 4.111) 4.173 5.755 ( 3.002 -3.553 2.314) 5.195 6.117 ( 4.956 -11.401 -4.241) 13.135 6.379 ( 3.749 -2.112 0.785) 4.374 6.428 ( -2.815 -13.614 -1.999) 14.045 6.554 ( -0.354 -15.964 -1.623) 16.050 6.721 ( 0.378 -22.901 3.084) 23.110 6.739 ( -1.404 -0.427 1.340) 1.987 6.897 ( 3.081 -9.721 1.680) 10.335 6.976 ( 0.869 -5.832 2.035) 6.238 7.132 ( 0.069 -3.300 5.087) 6.064 7.385 ( -0.739 0.718 -1.427) 1.760 7.411 ( -7.150 0.844 -0.805) 7.245 7.539 ( -3.477 -0.807 -5.008) 6.149 7.553 ( -12.369 -5.143 0.778) 13.418 8.169 ( 0.266 12.434 2.300) 12.648 8.492 ( -3.241 6.921 -4.859) 9.056 8.931 ( 8.818 9.365 7.543) 14.912 9.377 ( 6.395 -8.119 -2.825) 10.714 11.590 ( 1.979 2.801 -0.305) 3.443 11.614 ( 0.836 2.554 0.288) 2.703 11.735 ( 1.424 -0.624 0.054) 1.556 11.748 ( 0.779 -1.285 0.466) 1.573 11.949 ( 3.838 17.424 2.945) 18.083 12.370 ( 0.905 21.206 -5.191) 21.851 13.633 ( 3.324 -21.982 2.763) 22.403 13.841 ( -1.990 -19.629 -0.368) 19.733 14.621 ( 7.401 24.140 4.083) 25.577 15.200 ( 17.127 7.953 -4.756) 19.473 15.434 ( -2.240 2.147 0.098) 3.105 15.657 ( 2.022 -2.713 -3.197) 4.655 15.882 ( 2.947 -5.271 -2.426) 6.508 15.939 ( -8.652 5.228 -8.421) 13.157 16.120 ( -4.395 -2.114 -0.077) 4.878 16.273 ( -4.213 2.953 -0.204) 5.149 16.919 ( 5.114 12.221 2.268) 13.441 17.252 ( -1.135 6.757 1.981) 7.132 17.597 ( -1.818 -3.145 -0.477) 3.664 17.646 ( -1.648 -2.300 -6.901) 7.459 25.627 ( 1.173 6.348 0.419) 6.469 25.663 ( 2.317 9.300 -0.613) 9.604 25.855 ( 5.839 19.656 6.530) 21.519 26.251 ( 1.840 -5.808 -0.927) 6.163 26.417 ( 0.337 9.723 3.086) 10.207 27.203 ( 22.431 45.117 -32.611) 60.018 28.135 ( 4.968 -24.461 8.123) 26.249 28.866 ( 2.523 -14.451 -11.338) 18.540 29.817 ( -4.653 16.230 -0.048) 16.884 30.132 ( -27.259 3.239 -11.257) 29.669 30.555 ( -6.776 -6.734 2.868) 9.974 30.657 ( -4.081 -8.519 -7.024) 11.771 32.917 ( 2.091 1.710 5.285) 5.935 33.059 ( 5.562 -1.504 7.015) 9.078 33.090 ( -0.384 3.888 1.255) 4.103 33.242 ( 2.221 9.051 1.827) 9.496 33.391 ( -3.908 -3.249 1.659) 5.346 33.584 ( -0.248 9.415 -5.238) 10.777 34.015 ( 3.692 -14.883 10.067) 18.344 34.402 ( -1.855 -13.181 0.028) 13.311 42.637 ( -0.632 10.722 1.309) 10.820 42.707 ( 3.062 11.051 -5.141) 12.567 43.248 ( -1.983 -6.582 1.756) 7.095 43.273 ( -0.247 -6.837 -2.754) 7.375 52.427 ( 13.743 52.852 -20.702) 58.402 52.511 ( -2.992 63.454 -1.003) 63.532 55.051 ( 38.268 -31.181 22.641) 54.308 57.233 ( -22.717 -70.121 15.760) 75.375 ======================= Grid point 177 (95/104) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 2.188 13.832 6.090) 15.271 2.012 ( -1.732 10.908 -10.568) 15.287 2.073 ( 0.597 -4.943 6.524) 8.207 2.264 ( -3.872 -8.516 -4.748) 10.491 2.421 ( -4.744 17.195 3.510) 18.179 2.519 ( 4.714 17.630 -9.437) 20.544 2.749 ( -5.007 -6.060 4.078) 8.855 2.883 ( 0.792 -11.571 -6.112) 13.110 3.014 ( -0.725 -1.443 1.378) 2.123 3.137 ( 2.389 -11.345 -6.423) 13.254 3.273 ( 1.842 -5.988 3.074) 6.979 3.350 ( 0.916 -9.397 -4.454) 10.439 3.826 ( 1.208 15.519 4.274) 16.142 3.892 ( -2.144 10.344 -2.828) 10.936 4.088 ( -6.900 -8.843 -1.063) 11.266 4.100 ( 4.403 -9.113 -1.957) 10.309 4.427 ( 3.945 17.449 7.628) 19.448 4.590 ( -2.536 10.920 -4.919) 12.242 4.756 ( 1.630 -4.389 4.666) 6.610 4.803 ( -0.324 -8.027 2.110) 8.306 4.941 ( -5.105 15.274 3.304) 16.440 5.038 ( 6.297 19.522 -4.645) 21.031 5.170 ( -2.062 -5.401 11.735) 13.082 5.274 ( 3.135 15.932 4.715) 16.908 5.324 ( -3.091 5.432 -2.256) 6.644 5.405 ( 2.040 15.065 0.085) 15.203 5.464 ( 0.870 5.700 -1.504) 5.959 5.537 ( 1.258 13.264 -4.818) 14.168 5.615 ( 6.991 -5.932 1.513) 9.292 5.675 ( -5.151 -3.527 -4.429) 7.654 5.758 ( 5.122 -4.565 1.895) 7.118 5.826 ( -5.976 -6.339 -5.476) 10.290 6.058 ( 1.696 -15.717 3.855) 16.272 6.117 ( -1.819 -15.479 -0.522) 15.594 6.182 ( -0.032 -18.659 -0.603) 18.668 6.223 ( 0.785 -19.694 -2.775) 19.904 6.810 ( -2.593 7.303 4.980) 9.211 6.900 ( 2.666 4.576 -2.123) 5.706 6.979 ( 0.890 -6.566 3.642) 7.561 7.033 ( -0.540 -7.153 -1.066) 7.252 7.288 ( -4.304 0.732 6.347) 7.704 7.309 ( -5.409 -1.157 6.692) 8.682 7.420 ( 2.209 1.375 -5.936) 6.481 7.454 ( 3.827 -1.791 -6.938) 8.123 8.473 ( 1.789 8.454 1.416) 8.757 8.532 ( -1.101 3.669 -4.344) 5.792 9.141 ( 0.269 -0.805 5.571) 5.635 9.215 ( 0.073 -7.318 -1.658) 7.504 11.659 ( -0.612 2.501 0.829) 2.706 11.676 ( 0.601 2.475 -0.791) 2.667 11.709 ( -0.582 -2.142 0.858) 2.380 11.725 ( 0.511 -2.087 -0.654) 2.246 12.561 ( 3.802 23.464 5.776) 24.461 12.691 ( -4.492 18.032 -6.866) 19.811 13.262 ( 2.659 -19.483 5.340) 20.376 13.351 ( -1.668 -21.115 -3.364) 21.447 15.345 ( 7.524 15.334 7.365) 18.601 15.453 ( -5.036 6.690 -1.903) 8.587 15.486 ( -0.602 3.330 2.884) 4.446 15.602 ( -2.277 -2.074 -6.001) 6.745 15.818 ( 0.536 0.391 0.268) 0.716 15.875 ( -2.487 7.130 -6.094) 9.704 15.969 ( 4.472 -10.149 3.709) 11.694 16.066 ( -5.458 -7.977 -5.420) 11.081 17.283 ( 4.063 9.578 2.195) 10.634 17.335 ( -4.306 7.666 -2.739) 9.209 17.473 ( -0.562 -5.535 1.019) 5.656 17.511 ( 2.221 -6.254 -2.895) 7.241 25.806 ( 0.873 7.080 0.977) 7.201 25.831 ( -0.495 6.291 -1.471) 6.480 26.045 ( 1.540 -4.601 2.667) 5.536 26.085 ( -1.312 -7.083 -1.261) 7.313 27.186 ( 5.441 34.004 20.555) 40.104 27.681 ( -6.666 13.126 -17.914) 23.187 27.915 ( 3.968 -9.483 3.507) 10.861 28.294 ( -8.343 -20.353 -23.067) 31.873 30.059 ( -2.555 12.268 1.288) 12.598 30.093 ( 2.083 13.581 -2.077) 13.896 30.313 ( -1.017 -10.522 2.752) 10.923 30.376 ( 1.956 -11.924 -3.442) 12.564 33.079 ( 3.668 3.941 4.997) 7.346 33.146 ( -0.731 2.827 -1.325) 3.206 33.176 ( 4.444 -3.211 4.362) 7.006 33.238 ( -3.330 -3.845 -1.656) 5.349 33.566 ( 3.172 12.485 7.325) 14.819 33.724 ( -3.445 12.863 -7.356) 15.213 33.854 ( 3.688 -15.048 9.434) 18.140 34.016 ( -3.905 -14.731 -6.175) 16.443 42.864 ( -1.304 10.532 1.940) 10.789 42.918 ( 1.096 9.712 -3.336) 10.327 43.071 ( -1.409 -8.598 1.681) 8.873 43.111 ( 1.331 -8.209 -2.180) 8.597 53.708 ( 11.702 62.479 1.270) 63.578 53.779 ( -11.493 67.394 -4.899) 68.543 55.028 ( 35.290 -62.108 13.615) 72.720 55.243 ( -28.487 -68.491 -7.664) 74.574 ======================= Grid point 178 (96/104) ======================= q-point: ( 0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.891 ( -0.831 11.025 -8.378) 13.871 1.991 ( 8.511 14.504 8.312) 18.759 2.131 ( -2.122 -10.132 -6.889) 12.435 2.250 ( 6.383 -5.322 12.190) 14.754 2.427 ( 0.544 12.188 4.942) 13.163 2.613 ( 7.864 15.541 -5.690) 18.323 2.693 ( -6.653 -1.633 9.821) 11.974 2.805 ( -4.761 -2.897 -5.357) 7.731 2.985 ( -2.122 -3.918 1.221) 4.621 3.152 ( 3.255 -12.421 -3.721) 13.369 3.305 ( 1.120 -5.290 -2.310) 5.880 3.390 ( 7.448 -11.224 -0.913) 13.501 3.799 ( -2.106 8.541 -0.557) 8.814 3.946 ( 2.353 8.549 2.326) 9.167 3.983 ( -1.936 -2.799 2.080) 3.989 4.196 ( 5.693 -8.911 1.443) 10.672 4.485 ( -1.270 16.734 -8.219) 18.687 4.571 ( 2.289 13.747 5.894) 15.131 4.782 ( -1.724 -7.745 -1.282) 8.037 4.797 ( -1.065 4.179 -1.380) 4.528 4.846 ( -6.934 10.300 1.645) 12.525 5.034 ( -2.470 21.985 0.117) 22.124 5.201 ( -2.905 -4.476 4.047) 6.697 5.250 ( 1.209 4.210 -6.129) 7.533 5.327 ( -5.727 12.367 7.428) 15.521 5.442 ( 4.294 -0.211 -9.791) 10.693 5.467 ( 0.987 14.633 2.366) 14.856 5.509 ( 0.039 13.449 -3.476) 13.891 5.547 ( -2.446 -6.024 -3.378) 7.327 5.648 ( -6.690 -2.827 -3.440) 8.036 5.732 ( 1.721 -4.210 -0.721) 4.605 5.864 ( 3.262 -6.331 5.124) 8.773 6.001 ( -5.540 -9.360 -1.183) 10.940 6.141 ( 1.936 -19.106 1.209) 19.242 6.173 ( -0.122 -16.486 0.198) 16.487 6.236 ( 1.737 -19.973 -1.166) 20.082 6.765 ( -5.818 3.810 3.520) 7.795 6.888 ( -6.194 -4.536 0.559) 7.698 6.924 ( 1.392 4.442 -2.974) 5.524 7.074 ( 2.079 -7.162 -0.964) 7.520 7.329 ( 1.547 1.895 5.926) 6.411 7.360 ( 2.517 -1.122 6.142) 6.732 7.491 ( 9.324 1.687 -2.494) 9.798 7.536 ( 9.501 -2.591 -3.719) 10.527 8.459 ( -2.203 8.055 -2.895) 8.838 8.522 ( 1.678 2.724 1.314) 3.458 9.095 ( -6.899 0.661 0.106) 6.932 9.176 ( -3.459 -7.344 -0.170) 8.119 11.644 ( -1.495 2.834 0.487) 3.241 11.672 ( -0.457 2.412 -0.474) 2.500 11.698 ( -1.297 -2.150 0.544) 2.569 11.720 ( -0.525 -2.086 -0.422) 2.192 12.517 ( -6.545 24.858 -4.170) 26.041 12.697 ( 2.967 18.183 5.354) 19.186 13.223 ( -6.359 -19.956 -3.526) 21.239 13.352 ( 1.058 -22.642 1.911) 22.747 15.137 ( -16.169 16.562 -3.085) 23.351 15.301 ( -14.788 6.526 0.835) 16.186 15.427 ( -8.482 -5.095 0.141) 9.895 15.472 ( -11.924 -9.591 2.116) 15.448 15.896 ( 8.211 7.613 -2.128) 11.398 15.959 ( 10.767 10.152 5.303) 15.720 16.053 ( 5.928 -6.387 -3.141) 9.263 16.171 ( 9.172 -8.011 4.945) 13.144 17.206 ( -4.824 10.276 -1.573) 11.460 17.391 ( -1.392 -6.226 2.514) 6.857 17.434 ( 3.758 7.136 -1.499) 8.203 17.581 ( 4.729 -5.623 -1.998) 7.614 25.789 ( -2.290 6.286 -1.409) 6.837 25.811 ( -1.255 5.982 0.651) 6.147 26.023 ( -3.186 -3.016 -1.611) 4.674 26.081 ( -0.241 -6.961 1.398) 7.104 27.238 ( -13.792 32.534 -19.338) 40.282 27.427 ( -3.975 32.896 23.925) 40.870 27.884 ( -13.695 -23.854 -17.350) 32.520 28.100 ( -1.948 -26.099 19.478) 32.624 30.105 ( 5.275 12.639 0.830) 13.721 30.218 ( 11.942 10.694 0.487) 16.037 30.357 ( 3.202 -10.604 1.168) 11.139 30.441 ( 8.175 -9.871 -2.305) 13.022 33.078 ( -2.332 3.018 -4.635) 6.003 33.132 ( -2.612 -1.007 -3.299) 4.327 33.179 ( 1.593 3.531 0.404) 3.895 33.287 ( 3.354 -5.355 1.510) 6.496 33.583 ( -3.903 12.797 -6.860) 15.035 33.699 ( 3.303 13.038 7.241) 15.276 33.872 ( -4.455 -14.532 -7.107) 16.779 34.005 ( 3.415 -15.934 7.676) 18.013 42.856 ( -1.723 10.407 2.462) 10.832 42.909 ( 0.752 10.552 -2.255) 10.817 43.062 ( -1.380 -8.621 1.964) 8.949 43.119 ( 1.411 -8.951 -1.877) 9.254 53.405 ( -18.903 56.794 -3.507) 59.959 53.975 ( 9.295 73.204 2.194) 73.825 54.571 ( -29.318 -48.230 -14.222) 58.206 55.677 ( 23.227 -83.153 4.194) 86.437 ======================= Grid point 179 (97/104) ======================= q-point: ( 0.20 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 2.536 10.173 -0.470) 10.495 2.075 ( -1.044 -8.177 2.186) 8.528 2.254 ( 9.474 10.386 5.116) 14.960 2.414 ( -1.398 4.877 9.940) 11.160 2.457 ( -11.208 10.578 -7.236) 17.026 2.499 ( -0.030 6.203 2.303) 6.617 2.674 ( -8.483 -5.945 -2.028) 10.556 2.765 ( -0.388 -5.971 20.585) 21.437 2.993 ( 2.904 1.659 -1.214) 3.558 3.186 ( 3.794 -6.239 -2.719) 7.792 3.330 ( 3.859 -0.342 -4.274) 5.769 3.523 ( 6.288 -10.509 -2.760) 12.554 3.795 ( 1.022 7.844 2.260) 8.226 3.947 ( -1.493 -5.541 6.805) 8.902 4.108 ( 7.947 12.915 2.553) 15.377 4.312 ( 2.077 -0.933 2.851) 3.649 4.407 ( -0.073 11.951 -4.518) 12.776 4.519 ( -9.415 10.462 0.541) 14.085 4.670 ( -8.328 -5.674 -1.835) 10.242 4.725 ( -3.514 -3.804 -5.201) 7.339 4.762 ( 0.585 18.392 -2.771) 18.609 5.033 ( 0.759 9.482 -1.070) 9.572 5.156 ( 0.319 1.415 -3.761) 4.031 5.228 ( 2.086 2.861 -8.882) 9.562 5.261 ( -3.654 6.287 1.644) 7.456 5.380 ( -2.676 0.970 -7.704) 8.213 5.451 ( -3.891 0.880 -5.592) 6.869 5.471 ( -4.710 7.031 -0.073) 8.463 5.490 ( -2.024 4.515 0.186) 4.952 5.535 ( 1.465 0.088 -3.645) 3.929 5.747 ( -0.187 2.114 2.465) 3.253 5.881 ( -1.041 9.161 1.064) 9.281 6.023 ( 3.145 -19.244 5.065) 20.147 6.148 ( 0.262 -16.085 0.109) 16.088 6.194 ( 0.415 -14.059 0.277) 14.068 6.269 ( 1.982 -18.173 1.192) 18.319 6.682 ( -5.377 1.215 2.086) 5.894 6.804 ( -4.479 -7.335 3.199) 9.171 6.921 ( 1.852 7.089 -4.157) 8.424 7.080 ( 1.531 -7.481 -3.921) 8.584 7.428 ( 2.872 2.715 5.018) 6.387 7.461 ( 1.989 -0.534 5.853) 6.205 7.649 ( 7.688 1.746 -0.659) 7.912 7.697 ( 9.548 -3.062 -0.927) 10.069 8.424 ( 0.745 9.935 -0.008) 9.963 8.571 ( 2.355 -2.772 1.556) 3.957 8.967 ( -4.345 4.484 -2.502) 6.726 9.087 ( -4.752 -7.192 -1.110) 8.691 11.621 ( -1.292 3.064 0.278) 3.337 11.653 ( -1.170 2.469 -0.241) 2.742 11.675 ( -1.433 -2.038 0.288) 2.508 11.699 ( -1.392 -1.878 -0.264) 2.352 12.372 ( -5.838 27.984 -1.954) 28.653 12.762 ( -1.672 20.466 4.250) 20.970 13.045 ( -7.522 -25.029 -4.604) 26.537 13.359 ( -1.674 -26.383 0.583) 26.443 14.864 ( -11.432 16.540 -0.452) 20.112 15.042 ( -13.356 6.331 0.050) 14.780 15.212 ( -12.344 -10.907 -0.442) 16.479 15.252 ( -12.473 -10.678 1.357) 16.475 16.012 ( 6.815 6.502 -2.722) 9.805 16.138 ( 4.999 -4.841 -1.614) 7.143 16.210 ( 7.248 7.955 6.569) 12.608 16.330 ( 3.626 -2.887 2.968) 5.504 17.143 ( -1.470 13.047 1.369) 13.201 17.356 ( -1.267 -5.238 0.189) 5.392 17.530 ( 4.103 3.170 1.552) 5.412 17.631 ( 3.051 -4.548 -2.313) 5.945 25.733 ( -2.501 5.530 -0.542) 6.093 25.774 ( -3.030 3.933 0.547) 4.995 25.950 ( -2.750 2.768 -1.596) 4.215 26.066 ( -2.058 -6.787 0.236) 7.096 26.904 ( -8.260 29.101 -9.061) 31.579 27.437 ( -15.038 36.323 15.595) 42.293 27.528 ( -10.221 -29.121 -9.550) 32.306 28.127 ( -11.432 -29.269 13.133) 34.056 30.208 ( 4.906 11.991 -0.054) 12.956 30.418 ( 5.635 -6.268 -0.964) 8.484 30.531 ( 12.479 1.673 7.411) 14.609 30.641 ( 13.380 -6.726 2.759) 15.228 32.991 ( -1.378 2.594 -5.614) 6.336 33.043 ( -0.681 -2.155 -5.633) 6.070 33.214 ( 1.304 5.706 0.039) 5.853 33.331 ( 1.004 -4.481 -0.074) 4.593 33.481 ( -1.902 11.352 -3.119) 11.925 33.744 ( -3.082 -12.973 -4.801) 14.172 33.798 ( 1.723 12.515 3.280) 13.052 34.099 ( 1.261 -15.583 3.082) 15.935 42.845 ( -2.023 10.735 2.585) 11.226 42.904 ( 0.637 11.290 -1.708) 11.436 43.057 ( -1.351 -9.425 2.578) 9.865 43.127 ( 1.255 -9.797 -1.760) 10.032 53.065 ( -16.299 48.512 2.083) 51.219 53.977 ( -11.447 -16.176 -2.418) 19.963 54.136 ( -3.606 57.483 -4.790) 57.795 55.918 ( 5.377 -89.165 -7.835) 89.670 ======================= Grid point 180 (98/104) ======================= q-point: ( 0.30 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.149 9.998 8.265) 12.973 2.062 ( -6.689 6.283 3.432) 9.798 2.207 ( -1.083 0.856 2.356) 2.731 2.327 ( -4.116 5.379 5.790) 8.911 2.412 ( -9.018 -6.647 -2.696) 11.523 2.452 ( -6.547 -8.520 -0.759) 10.772 2.633 ( 3.076 10.283 11.873) 16.005 2.911 ( -3.366 -14.177 13.013) 19.536 3.064 ( 3.702 10.074 3.393) 11.256 3.216 ( 2.097 0.951 -4.144) 4.740 3.315 ( -1.157 5.080 -4.825) 7.101 3.517 ( -2.651 -8.407 -5.398) 10.337 3.871 ( 1.858 10.377 6.585) 12.429 4.007 ( 1.071 -3.216 4.814) 5.887 4.218 ( -1.506 9.033 -0.911) 9.203 4.264 ( -12.015 22.627 1.837) 25.684 4.287 ( -3.529 7.525 2.958) 8.823 4.478 ( -0.493 -4.068 -0.549) 4.135 4.553 ( 0.962 -6.513 0.476) 6.601 4.631 ( -1.348 -8.588 -1.470) 8.817 4.804 ( 8.069 19.299 -7.968) 22.384 4.976 ( -2.217 3.891 -6.101) 7.568 5.107 ( -1.085 4.107 -9.058) 10.005 5.176 ( 2.449 -0.920 -12.394) 12.667 5.221 ( -1.164 2.733 -11.831) 12.198 5.250 ( 0.805 1.959 -1.578) 2.641 5.313 ( -4.325 -1.880 -0.338) 4.728 5.407 ( -4.150 -3.070 -2.297) 5.650 5.460 ( 0.468 9.339 0.650) 9.373 5.544 ( 0.748 9.080 0.151) 9.112 5.788 ( 1.193 7.707 4.249) 8.881 5.910 ( 1.282 8.923 2.150) 9.268 6.098 ( 1.498 -19.160 2.831) 19.426 6.179 ( 1.073 -13.737 1.976) 13.920 6.202 ( 0.538 -14.726 -0.250) 14.738 6.301 ( 0.238 -12.737 0.417) 12.746 6.630 ( -2.918 1.709 4.081) 5.300 6.778 ( -2.416 -8.471 4.405) 9.849 6.925 ( 2.551 5.661 -3.456) 7.106 7.069 ( 1.880 -7.298 -5.153) 9.129 7.508 ( 1.131 2.217 4.209) 4.890 7.531 ( 0.239 -0.011 4.748) 4.754 7.751 ( 4.422 2.555 -0.700) 5.155 7.827 ( 4.689 -4.629 -0.811) 6.639 8.495 ( 4.549 8.162 3.873) 10.115 8.636 ( 2.363 -4.361 2.993) 5.793 8.913 ( 1.534 5.083 -4.050) 6.678 9.010 ( -1.359 -4.336 -2.561) 5.216 11.607 ( -0.548 2.678 0.383) 2.760 11.629 ( -1.023 2.263 -0.281) 2.499 11.653 ( -1.217 -1.551 0.256) 1.988 11.667 ( -1.742 -1.387 -0.246) 2.240 12.273 ( -4.304 27.956 0.863) 28.298 12.674 ( -7.695 27.097 -3.123) 28.341 12.932 ( -2.964 -32.659 1.664) 32.835 13.302 ( -3.761 -31.119 -1.640) 31.388 14.697 ( -7.409 14.334 0.703) 16.150 14.823 ( -9.676 8.153 -0.926) 12.687 15.001 ( -9.463 -11.169 -0.859) 14.665 15.070 ( -8.424 -12.711 1.209) 15.297 16.097 ( 4.826 5.778 -2.010) 7.792 16.200 ( 3.035 -3.595 -0.859) 4.782 16.311 ( 0.608 4.383 1.048) 4.547 16.369 ( -0.468 -0.482 0.657) 0.939 17.172 ( 0.708 13.586 4.974) 14.485 17.350 ( 0.413 -1.586 -0.581) 1.739 17.599 ( 1.741 0.119 1.873) 2.560 17.660 ( 2.052 -4.141 -1.245) 4.786 25.698 ( -1.412 4.756 0.912) 5.045 25.729 ( -2.585 3.686 1.848) 4.866 25.896 ( -1.555 5.829 -1.674) 6.261 26.016 ( -2.829 -4.477 -0.972) 5.384 26.749 ( -3.341 23.309 -2.893) 23.724 27.211 ( -13.812 26.259 0.953) 29.685 27.348 ( -7.055 -20.572 0.522) 21.754 27.953 ( -14.334 -32.091 3.123) 35.286 30.294 ( 4.223 11.803 1.351) 12.608 30.509 ( 4.452 -8.473 1.202) 9.647 30.750 ( 5.941 5.728 3.062) 8.802 30.917 ( 9.034 -9.753 5.627) 14.436 32.950 ( 1.370 4.095 -2.210) 4.851 33.034 ( 3.221 -3.510 -1.570) 5.016 33.228 ( 0.598 5.589 -0.667) 5.660 33.332 ( -0.365 -2.797 -0.630) 2.890 33.456 ( 0.211 8.787 0.567) 8.808 33.674 ( -1.331 -11.107 -1.737) 11.321 33.822 ( 0.097 11.300 -1.492) 11.398 34.105 ( -1.120 -14.907 -1.945) 15.075 42.831 ( -1.845 11.159 2.371) 11.557 42.897 ( 0.373 11.372 -1.851) 11.527 43.059 ( -1.261 -9.935 3.013) 10.458 43.132 ( 1.032 -10.288 -1.778) 10.491 52.879 ( -9.053 49.772 9.375) 51.450 53.878 ( -3.847 -44.699 14.237) 47.070 54.013 ( -4.776 80.513 -9.355) 81.196 55.786 ( -5.059 -86.495 -17.957) 88.484 ======================= Grid point 181 (99/104) ======================= q-point: ( 0.40 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.861 ( -3.654 14.900 2.359) 15.522 2.169 ( -5.228 -12.000 7.517) 15.094 2.220 ( 0.768 2.951 4.018) 5.044 2.232 ( -7.451 0.882 3.543) 8.297 2.331 ( -3.751 -0.956 0.796) 3.952 2.405 ( 2.644 -6.045 15.041) 16.424 2.744 ( -0.344 7.032 4.965) 8.615 2.910 ( -3.406 -7.874 2.385) 8.904 3.119 ( -3.263 7.243 5.645) 9.746 3.187 ( -1.284 3.613 -2.397) 4.522 3.231 ( -2.180 6.263 -3.829) 7.658 3.378 ( -4.565 -4.271 -6.791) 9.230 3.947 ( 1.122 10.261 4.764) 11.369 4.053 ( -0.717 5.227 1.181) 5.407 4.085 ( -6.581 14.909 2.227) 16.448 4.179 ( -0.758 9.444 2.731) 9.861 4.206 ( -4.346 3.334 -1.569) 5.698 4.448 ( -2.113 -8.137 -1.186) 8.491 4.609 ( -0.489 -2.575 1.803) 3.181 4.645 ( 0.671 -6.503 1.608) 6.732 4.809 ( 1.202 7.384 -8.177) 11.083 4.916 ( 2.505 1.207 -10.521) 10.882 5.013 ( 0.682 9.471 -7.790) 12.282 5.061 ( -0.153 5.081 -8.599) 9.989 5.184 ( 2.918 6.420 -3.893) 8.056 5.225 ( -5.371 6.679 4.301) 9.589 5.282 ( 3.972 0.079 -8.758) 9.617 5.346 ( 1.681 0.343 -4.879) 5.172 5.502 ( 2.781 4.150 0.918) 5.079 5.562 ( 0.393 7.997 1.730) 8.191 5.857 ( 1.515 9.002 5.033) 10.424 5.951 ( 1.276 6.670 1.808) 7.027 6.137 ( 0.655 -17.786 0.284) 17.800 6.192 ( -1.177 -13.997 -1.520) 14.128 6.202 ( 0.135 -15.334 1.639) 15.422 6.293 ( -0.140 -11.235 -1.505) 11.336 6.652 ( -0.700 2.769 7.215) 7.760 6.785 ( -1.555 -6.168 4.463) 7.770 6.950 ( 2.731 2.448 -2.242) 4.298 7.057 ( 2.148 -6.459 -5.614) 8.823 7.544 ( -1.195 0.860 3.710) 3.992 7.559 ( -0.226 -0.715 2.025) 2.159 7.809 ( 2.569 1.053 -0.438) 2.811 7.859 ( 0.411 -3.628 -1.149) 3.828 8.629 ( 4.612 4.475 5.182) 8.256 8.702 ( 0.778 -1.960 4.296) 4.785 8.925 ( 3.008 4.012 -3.890) 6.346 8.987 ( 1.411 -1.699 -3.716) 4.323 11.602 ( -0.640 1.986 0.690) 2.198 11.618 ( 0.315 1.335 -0.531) 1.471 11.633 ( -1.721 -0.836 0.504) 1.978 11.637 ( -0.609 -0.316 -0.501) 0.850 12.233 ( -1.965 26.998 3.201) 27.258 12.500 ( -5.557 24.993 -5.928) 26.280 12.930 ( -0.899 -31.685 4.795) 32.058 13.203 ( -3.818 -34.334 -3.917) 34.767 14.597 ( -3.757 11.039 0.346) 11.666 14.676 ( -5.385 8.753 -1.377) 10.369 14.874 ( -3.445 -10.135 0.053) 10.705 14.955 ( -5.238 -12.316 0.412) 13.390 16.157 ( 3.358 5.003 -1.086) 6.123 16.237 ( 1.524 -2.185 -0.373) 2.690 16.292 ( -1.527 3.971 -1.223) 4.427 16.346 ( -1.671 -0.609 -0.739) 1.926 17.231 ( 0.025 11.637 5.651) 12.937 17.353 ( 0.920 1.182 -1.602) 2.193 17.636 ( 0.591 -0.647 1.928) 2.118 17.681 ( 1.132 -3.871 -0.748) 4.102 25.698 ( -0.098 4.207 2.043) 4.678 25.720 ( -1.098 3.989 3.195) 5.227 25.863 ( -0.209 6.394 -1.965) 6.693 25.951 ( -2.607 -0.544 -2.017) 3.341 26.711 ( 0.177 20.313 0.478) 20.319 26.989 ( -9.207 28.090 -2.656) 29.680 27.283 ( -1.172 -27.178 2.770) 27.344 27.703 ( -11.490 -33.173 -3.761) 35.308 30.393 ( 3.892 11.745 4.033) 13.014 30.597 ( 2.918 -6.013 1.707) 6.898 30.823 ( 1.045 6.025 1.084) 6.210 31.028 ( 0.813 -11.764 -0.246) 11.794 33.004 ( 3.812 5.686 2.724) 7.368 33.106 ( 3.423 -2.897 2.115) 4.958 33.226 ( 0.168 4.930 -1.316) 5.106 33.305 ( -1.752 -1.326 -1.465) 2.641 33.497 ( 1.760 5.575 4.325) 7.273 33.663 ( 0.617 -9.330 1.247) 9.433 33.783 ( -0.691 8.150 -5.191) 9.687 34.027 ( -3.141 -13.924 -6.311) 15.607 42.823 ( -1.303 11.218 2.258) 11.517 42.884 ( 0.267 10.924 -2.131) 11.133 43.066 ( -1.013 -9.677 3.058) 10.200 43.132 ( 0.868 -10.387 -1.962) 10.606 52.904 ( -1.543 55.139 16.450) 57.561 53.778 ( -6.253 71.176 -14.841) 72.975 54.077 ( 2.000 -49.156 26.773) 56.010 55.467 ( -6.454 -81.400 -25.989) 85.692 ======================= Grid point 182 (100/104) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 7.536 8.732 5.729) 12.879 2.034 ( -10.223 5.182 -2.965) 11.838 2.151 ( 1.157 -9.706 3.020) 10.230 2.190 ( -1.199 -7.927 -1.209) 8.107 2.507 ( 6.228 4.311 13.392) 15.386 2.615 ( 3.243 -5.129 16.610) 17.683 2.700 ( -5.207 6.706 -3.337) 9.122 2.840 ( -3.787 -6.241 -3.141) 7.947 3.056 ( -7.616 8.715 5.956) 13.016 3.158 ( -2.276 -0.196 4.157) 4.743 3.231 ( 8.410 5.825 -8.017) 12.997 3.287 ( 2.617 1.443 -7.031) 7.639 4.012 ( 1.680 11.829 2.465) 12.199 4.030 ( 1.654 14.773 1.646) 14.956 4.076 ( 2.300 5.229 -1.335) 5.866 4.144 ( 0.166 6.451 -4.340) 7.777 4.237 ( 0.837 2.719 7.499) 8.020 4.380 ( -3.043 -6.806 -3.115) 8.080 4.559 ( -3.046 -0.714 -1.083) 3.311 4.624 ( -0.260 -7.751 -3.442) 8.485 4.796 ( -0.830 3.852 1.313) 4.153 4.857 ( 1.452 -0.774 -7.007) 7.198 4.954 ( -3.497 5.971 -1.155) 7.016 5.007 ( -0.259 4.057 -5.442) 6.793 5.142 ( -7.416 11.183 5.393) 14.462 5.242 ( 2.154 6.361 0.669) 6.749 5.296 ( 6.318 6.996 -8.200) 12.494 5.327 ( 1.521 7.566 -6.655) 10.190 5.559 ( 2.369 3.099 0.446) 3.926 5.580 ( 0.864 2.280 -1.451) 2.837 5.930 ( 1.156 11.433 4.887) 12.488 5.985 ( 0.947 9.960 0.081) 10.005 6.129 ( -0.803 -19.367 -0.664) 19.394 6.141 ( -1.653 -16.784 -1.525) 16.934 6.223 ( 0.134 -16.289 2.139) 16.429 6.274 ( 0.131 -12.388 -2.536) 12.645 6.711 ( -0.893 1.893 7.638) 7.919 6.793 ( -1.301 -3.658 2.776) 4.773 6.967 ( 0.584 0.251 -1.432) 1.567 7.041 ( 1.743 -5.324 -5.783) 8.051 7.545 ( -1.434 0.076 2.904) 3.240 7.569 ( -0.001 -1.951 1.044) 2.213 7.829 ( -1.021 0.011 0.456) 1.118 7.851 ( 0.888 -1.727 -1.303) 2.338 8.730 ( -1.443 1.318 3.768) 4.244 8.736 ( 1.845 0.422 3.547) 4.021 8.933 ( 0.146 3.029 -1.655) 3.455 8.964 ( -0.521 0.038 -4.197) 4.230 11.602 ( 0.084 0.942 0.597) 1.118 11.607 ( -0.893 0.510 0.376) 1.095 11.624 ( -0.379 0.796 -0.134) 0.892 11.633 ( 1.142 0.036 -0.694) 1.337 12.263 ( 1.311 26.331 4.874) 26.810 12.378 ( -1.565 25.287 -6.207) 26.084 12.988 ( 2.097 -33.179 5.720) 33.734 13.106 ( -1.745 -34.450 -5.551) 34.937 14.576 ( 0.574 9.431 0.802) 9.482 14.601 ( -0.600 8.408 -1.653) 8.590 14.868 ( 0.896 -10.340 1.131) 10.440 14.886 ( -1.134 -10.669 -0.595) 10.746 16.204 ( 2.328 4.145 0.081) 4.755 16.219 ( -2.531 4.031 -1.392) 4.959 16.285 ( 1.109 -0.621 0.669) 1.437 16.304 ( -1.731 -1.179 -1.171) 2.399 17.271 ( -0.900 9.430 4.985) 10.704 17.350 ( 0.727 3.160 -2.489) 4.088 17.652 ( -1.164 -0.785 2.156) 2.572 17.695 ( 1.966 -3.668 -1.869) 4.562 25.725 ( 0.283 4.298 2.428) 4.945 25.737 ( 0.397 3.458 1.717) 3.881 25.861 ( 1.622 4.923 -0.652) 5.225 25.887 ( -1.887 3.600 -2.729) 4.896 26.763 ( 4.029 21.736 2.706) 22.271 26.831 ( -4.634 24.771 -3.873) 25.497 27.363 ( 5.666 -30.163 5.632) 31.203 27.489 ( -6.297 -32.371 -6.415) 33.596 30.503 ( 2.807 10.582 5.760) 12.371 30.603 ( -2.076 4.935 -3.176) 6.225 30.867 ( 1.511 -4.178 5.368) 6.968 30.975 ( -3.444 -10.579 -4.092) 11.854 33.113 ( 3.542 5.215 4.348) 7.658 33.171 ( 1.112 1.706 0.895) 2.224 33.214 ( 0.259 2.673 -1.577) 3.114 33.240 ( -2.557 1.914 -2.667) 4.161 33.577 ( 1.026 3.585 6.360) 7.373 33.711 ( -0.486 2.300 -5.453) 5.939 33.736 ( 3.618 -9.160 4.323) 10.756 33.883 ( -4.723 -11.855 -8.737) 15.466 42.825 ( -0.736 11.015 2.299) 11.276 42.872 ( 0.627 10.681 -2.185) 10.920 43.076 ( -0.833 -9.388 2.828) 9.840 43.129 ( 0.877 -10.279 -2.224) 10.553 53.101 ( 4.153 60.699 20.300) 64.139 53.525 ( -3.429 70.275 -19.878) 73.112 54.422 ( 5.474 -61.016 32.578) 69.385 55.107 ( -3.290 -76.081 -32.446) 82.776 ======================= Grid point 183 (101/104) ======================= q-point: (-0.40 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( -2.879 13.855 -0.571) 14.163 2.153 ( 6.093 -1.357 4.768) 7.855 2.235 ( 7.115 -10.797 1.339) 13.000 2.262 ( 8.295 -4.087 0.624) 9.269 2.501 ( -8.981 10.416 -8.805) 16.331 2.698 ( -2.389 -3.081 -4.176) 5.713 2.714 ( 1.513 -0.268 3.717) 4.022 2.809 ( 3.545 -3.366 9.309) 10.514 3.002 ( -4.127 13.411 7.404) 15.865 3.216 ( 3.362 -5.344 5.644) 8.468 3.317 ( 8.254 4.774 -8.006) 12.451 3.358 ( 9.941 -0.115 -7.575) 12.499 4.079 ( 1.502 10.765 -6.515) 12.673 4.085 ( 4.606 10.043 -1.852) 11.203 4.131 ( 6.399 8.769 1.558) 10.966 4.158 ( 5.986 9.624 -0.740) 11.358 4.284 ( -0.500 1.035 -5.523) 5.641 4.335 ( -0.262 -1.630 8.294) 8.457 4.546 ( -1.148 -0.970 6.596) 6.765 4.615 ( 1.608 -6.461 -1.074) 6.745 4.764 ( -2.380 1.570 -1.084) 3.050 4.820 ( -3.990 1.975 -1.614) 4.736 4.900 ( -1.378 1.383 4.922) 5.295 4.927 ( -4.898 7.900 -0.501) 9.309 5.041 ( -9.854 8.228 7.387) 14.811 5.242 ( -0.611 0.031 -2.081) 2.169 5.317 ( 2.613 2.838 -2.295) 4.488 5.349 ( 6.046 9.071 -6.913) 12.908 5.556 ( -0.137 -0.803 -4.126) 4.205 5.593 ( 1.276 9.421 -0.960) 9.556 5.951 ( -1.737 11.084 -1.818) 11.366 5.979 ( 0.358 11.659 -1.714) 11.790 6.118 ( -0.033 -16.636 1.507) 16.705 6.137 ( -0.043 -21.948 2.366) 22.076 6.248 ( 0.383 -14.635 2.425) 14.840 6.255 ( 0.542 -12.784 -2.737) 13.085 6.747 ( -1.858 1.592 6.023) 6.501 6.778 ( -0.971 -0.152 -2.074) 2.295 6.953 ( -1.590 -2.172 1.769) 3.221 7.011 ( 0.322 -5.787 -5.462) 7.964 7.552 ( -0.652 0.634 2.228) 2.406 7.585 ( 0.616 -2.178 1.033) 2.488 7.795 ( -2.818 2.224 0.368) 3.609 7.852 ( -0.456 -2.716 -0.501) 2.799 8.699 ( -3.685 4.322 0.533) 5.705 8.776 ( 0.811 -2.315 -0.977) 2.640 8.871 ( -5.208 3.189 -1.116) 6.208 8.920 ( -2.064 -0.849 1.533) 2.708 11.603 ( -0.013 1.411 0.699) 1.575 11.617 ( 0.224 2.045 -0.571) 2.135 11.621 ( 1.002 -0.171 0.656) 1.210 11.650 ( 1.373 -1.011 -0.706) 1.845 12.319 ( 1.154 26.316 -4.465) 26.717 12.379 ( 5.616 25.475 4.862) 26.536 13.039 ( 0.385 -31.885 -5.263) 32.318 13.110 ( 5.105 -33.657 4.566) 34.346 14.607 ( 4.067 9.329 -0.437) 10.187 14.655 ( 5.601 9.645 0.368) 11.159 14.873 ( 2.188 -9.427 0.147) 9.678 14.955 ( 5.713 -12.242 0.396) 13.515 16.150 ( -3.882 5.886 -0.541) 7.072 16.235 ( -0.243 -0.328 0.017) 0.408 16.271 ( -0.301 1.761 0.473) 1.848 16.321 ( 1.462 -1.190 1.509) 2.414 17.293 ( -1.018 7.376 4.035) 8.469 17.331 ( 0.061 5.462 -3.516) 6.496 17.636 ( -1.893 0.299 1.013) 2.167 17.712 ( 1.609 -5.115 -2.455) 5.897 25.731 ( -0.053 5.306 -0.520) 5.331 25.774 ( 2.183 2.066 -0.180) 3.011 25.839 ( -0.799 6.858 -1.444) 7.054 25.911 ( 3.022 0.384 1.441) 3.370 26.745 ( -1.406 22.339 -2.929) 22.574 26.918 ( 9.787 25.909 3.940) 27.975 27.368 ( -0.585 -29.567 -5.493) 30.078 27.592 ( 12.842 -31.501 6.707) 34.672 30.488 ( -5.307 10.583 -4.717) 12.744 30.579 ( -0.537 4.766 3.740) 6.082 30.864 ( -3.969 -4.665 -2.988) 6.815 30.953 ( 0.626 -10.051 6.689) 12.090 33.100 ( -4.046 5.635 -6.095) 9.234 33.160 ( -1.606 1.345 -1.956) 2.866 33.193 ( 0.250 4.133 1.758) 4.498 33.267 ( 2.476 -1.443 1.877) 3.426 33.630 ( -1.964 -0.249 -7.716) 7.966 33.658 ( 1.678 7.452 6.356) 9.938 33.722 ( -4.232 -8.156 -5.178) 10.547 33.882 ( 5.037 -12.506 7.176) 15.273 42.836 ( -0.355 10.929 2.181) 11.150 42.871 ( 1.379 10.758 -1.968) 11.023 43.085 ( -0.833 -9.421 2.405) 9.759 43.125 ( 1.054 -10.160 -2.416) 10.496 53.304 ( 0.619 66.008 -20.840) 69.222 53.407 ( 8.117 65.992 19.517) 69.294 54.752 ( -1.051 -68.939 -36.059) 77.807 54.857 ( 8.981 -68.595 31.705) 76.099 ======================= Grid point 184 (102/104) ======================= q-point: (-0.30 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( 7.225 19.641 5.992) 21.769 2.214 ( -8.228 14.272 -10.820) 19.709 2.301 ( 3.033 0.444 2.139) 3.738 2.391 ( 7.808 -10.164 -0.461) 12.825 2.416 ( 5.381 -6.354 2.029) 8.570 2.516 ( -3.641 -10.549 -12.324) 16.626 2.782 ( 1.154 9.518 -1.429) 9.693 2.915 ( 0.176 2.714 5.519) 6.153 3.042 ( 0.050 9.045 8.322) 12.291 3.305 ( 2.014 -9.018 -3.854) 10.012 3.376 ( 4.866 1.214 -7.509) 9.029 3.427 ( 3.733 -5.317 -4.309) 7.796 3.996 ( -4.168 15.120 -4.134) 16.220 4.141 ( 2.797 0.937 -7.764) 8.305 4.206 ( 3.869 8.324 -1.202) 9.257 4.322 ( 10.053 14.366 -2.097) 17.659 4.342 ( 3.267 3.098 -0.894) 4.590 4.377 ( 4.534 3.118 7.235) 9.090 4.589 ( -2.472 7.243 6.060) 9.762 4.599 ( -5.183 -4.993 -1.849) 7.431 4.698 ( -1.354 -1.120 -3.110) 3.572 4.786 ( -0.479 -0.504 12.093) 12.113 4.864 ( -1.752 7.077 4.844) 8.753 4.937 ( -6.016 -0.025 9.546) 11.283 5.012 ( 2.778 0.602 8.871) 9.315 5.228 ( 0.555 1.841 0.388) 1.962 5.364 ( 2.357 -2.508 -3.751) 5.091 5.384 ( 4.935 -4.113 -1.188) 6.533 5.525 ( 1.825 5.934 -4.776) 7.833 5.592 ( 0.649 15.078 -2.822) 15.354 5.883 ( -1.851 9.969 -4.118) 10.944 5.957 ( -0.498 6.189 -2.577) 6.723 6.126 ( -0.941 -17.630 0.264) 17.657 6.155 ( -0.634 -17.202 2.657) 17.417 6.245 ( 0.827 -13.509 -2.815) 13.824 6.284 ( 1.092 -12.960 1.829) 13.134 6.728 ( -0.363 3.630 -4.037) 5.441 6.766 ( -1.100 1.503 4.150) 4.548 6.947 ( -0.907 -4.645 -1.935) 5.113 6.964 ( -1.419 -5.975 1.903) 6.429 7.547 ( -1.649 2.715 0.603) 3.233 7.597 ( -0.230 -1.712 -0.278) 1.750 7.732 ( -4.489 3.368 0.500) 5.634 7.813 ( -4.131 -3.999 0.269) 5.756 8.598 ( -4.752 8.007 -5.443) 10.785 8.731 ( -2.236 -3.122 -6.014) 7.135 8.802 ( -2.754 5.343 6.124) 8.581 8.936 ( 1.385 -6.299 4.402) 7.809 11.613 ( 0.655 2.514 -0.081) 2.599 11.624 ( 0.902 2.461 0.095) 2.623 11.651 ( 1.628 -1.090 0.362) 1.992 11.670 ( 1.248 -1.750 -0.367) 2.180 12.317 ( 2.778 27.435 -3.474) 27.793 12.571 ( 9.290 24.368 5.991) 26.758 13.007 ( 1.137 -28.952 -4.960) 29.396 13.249 ( 5.427 -31.152 3.311) 31.794 14.721 ( 8.350 12.537 -1.542) 15.142 14.797 ( 9.545 9.369 1.488) 13.458 14.980 ( 8.904 -9.593 1.028) 13.129 15.085 ( 8.463 -13.540 -0.211) 15.969 16.068 ( -5.179 6.933 0.723) 8.684 16.193 ( -3.160 -4.502 -0.261) 5.506 16.297 ( 0.557 4.223 1.905) 4.666 16.359 ( 0.893 -1.317 1.588) 2.248 17.283 ( -1.061 9.026 -4.622) 10.196 17.314 ( -0.181 5.463 2.513) 6.015 17.605 ( -2.276 0.107 0.732) 2.393 17.698 ( -0.375 -6.754 -3.629) 7.676 25.726 ( 0.789 5.819 -1.565) 6.077 25.789 ( 1.985 2.785 -3.787) 5.103 25.854 ( 1.521 6.245 2.347) 6.843 25.987 ( 3.389 -4.447 1.698) 5.843 26.725 ( 0.953 23.229 -0.593) 23.256 27.181 ( 13.478 13.954 2.476) 19.557 27.391 ( 9.021 -10.817 -2.358) 14.281 27.940 ( 18.894 -30.449 4.165) 36.076 30.343 ( -6.002 11.798 -3.251) 13.630 30.535 ( -5.159 -4.977 -0.447) 7.182 30.784 ( -4.384 4.023 -0.450) 5.967 30.969 ( -4.603 -11.756 2.028) 12.787 32.968 ( -4.178 5.045 -4.319) 7.846 33.067 ( -4.693 -3.504 -4.677) 7.495 33.210 ( -0.130 5.158 1.173) 5.291 33.308 ( 0.254 -3.670 1.610) 4.016 33.507 ( -3.059 4.654 -5.172) 7.601 33.655 ( -1.185 -8.597 0.035) 8.678 33.757 ( 2.906 11.354 4.571) 12.580 34.026 ( 3.922 -13.603 5.333) 15.128 42.850 ( -0.110 11.081 1.800) 11.227 42.886 ( 2.085 10.763 -1.875) 11.122 43.089 ( -0.911 -9.627 1.882) 9.851 43.123 ( 1.164 -10.005 -2.515) 10.381 53.177 ( 6.339 57.871 -18.777) 61.171 53.736 ( 8.490 71.852 16.613) 74.235 54.398 ( -1.397 -56.789 -34.739) 66.587 55.309 ( 9.123 -74.869 27.647) 80.331 ======================= Grid point 185 (103/104) ======================= q-point: (-0.20 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -7.884 17.678 -7.859) 20.891 2.196 ( 6.479 17.356 5.673) 19.375 2.270 ( -1.093 -3.154 -7.590) 8.292 2.347 ( -3.002 2.500 -2.450) 4.611 2.443 ( -3.758 -1.134 1.452) 4.186 2.615 ( 9.617 -14.735 2.920) 17.836 2.750 ( 1.596 13.516 -9.645) 16.681 2.926 ( -3.775 5.751 5.470) 8.789 3.119 ( 0.695 2.153 4.099) 4.682 3.197 ( -0.877 -8.411 -17.003) 18.990 3.333 ( -0.521 -6.875 -8.084) 10.625 3.427 ( -4.791 -12.118 5.075) 13.985 3.864 ( -5.950 17.923 -1.800) 18.971 4.111 ( 1.917 -4.304 -8.300) 9.544 4.145 ( -7.220 13.170 -2.058) 15.160 4.332 ( -0.391 11.929 -1.406) 12.018 4.419 ( -7.212 -4.230 -3.803) 9.185 4.515 ( 6.869 2.759 1.743) 7.605 4.572 ( 3.549 0.831 7.886) 8.687 4.639 ( 7.410 1.858 1.604) 7.805 4.739 ( 6.585 8.118 0.423) 10.461 4.897 ( -2.792 5.404 13.127) 14.468 4.960 ( 2.432 -4.205 10.545) 11.610 4.994 ( 3.284 4.065 8.780) 10.218 5.151 ( 4.359 -4.879 5.265) 8.398 5.301 ( 5.272 6.911 4.170) 9.641 5.377 ( 1.439 3.576 1.432) 4.112 5.481 ( 4.442 -3.853 0.025) 5.881 5.532 ( 3.603 8.871 -4.786) 10.704 5.576 ( 1.484 10.856 -4.185) 11.729 5.822 ( -0.662 8.838 -3.507) 9.531 5.921 ( -0.295 4.224 -2.810) 5.082 6.090 ( -2.195 -21.653 -1.195) 21.797 6.156 ( -1.381 -15.651 0.743) 15.729 6.225 ( 0.571 -14.661 -3.547) 15.095 6.294 ( -1.033 -15.333 -0.803) 15.389 6.716 ( 1.991 3.747 -1.291) 4.436 6.792 ( 0.126 0.419 3.906) 3.930 6.906 ( -0.084 -1.540 -2.211) 2.696 6.986 ( -0.509 -6.303 4.623) 7.833 7.497 ( -3.642 3.460 -0.865) 5.097 7.552 ( -3.861 -1.119 -1.993) 4.487 7.636 ( -6.544 1.669 0.314) 6.761 7.690 ( -9.119 -3.174 -0.436) 9.665 8.468 ( -3.046 11.168 -4.206) 12.316 8.639 ( -1.645 -3.003 -4.951) 6.020 8.871 ( 3.545 5.560 6.467) 9.236 9.042 ( 5.824 -9.549 2.951) 11.567 11.629 ( 1.353 3.107 -0.474) 3.422 11.646 ( 1.070 2.390 0.425) 2.653 11.683 ( 1.667 -1.850 -0.391) 2.520 11.691 ( 1.042 -1.906 0.512) 2.232 12.357 ( 3.656 28.348 -0.653) 28.590 12.792 ( 8.082 25.937 2.481) 27.280 12.996 ( 2.008 -30.754 -1.151) 30.841 13.352 ( 3.260 -26.617 1.107) 26.838 14.872 ( 9.898 16.796 -1.158) 19.530 15.034 ( 14.099 5.501 0.811) 15.156 15.197 ( 12.708 -8.076 0.969) 15.089 15.270 ( 12.250 -12.542 -0.314) 17.534 15.971 ( -6.489 7.182 1.427) 9.784 16.118 ( -5.142 -6.040 0.359) 7.941 16.291 ( -3.079 4.644 -0.812) 5.631 16.362 ( -2.098 -1.513 -0.082) 2.588 17.212 ( -1.063 13.168 -4.850) 14.073 17.340 ( 1.076 2.816 1.650) 3.436 17.565 ( -2.898 -1.984 0.276) 3.523 17.632 ( -2.580 -6.915 -3.905) 8.350 25.737 ( 1.689 6.224 -0.860) 6.507 25.803 ( 2.626 3.555 -2.353) 5.007 25.912 ( 2.332 4.081 2.149) 5.168 26.057 ( 2.707 -7.436 0.993) 7.975 26.775 ( 3.387 27.068 3.560) 27.510 27.379 ( 7.126 -25.587 4.176) 26.887 27.701 ( 25.297 29.737 -8.050) 39.863 28.314 ( 19.869 -25.986 -4.199) 32.980 30.220 ( -5.085 12.270 -1.101) 13.328 30.420 ( -6.549 -6.571 -0.541) 9.293 30.638 ( -10.156 1.933 -3.140) 10.805 30.771 ( -14.799 -9.943 -7.133) 19.203 32.902 ( -1.208 2.511 1.960) 3.406 32.956 ( -3.325 -2.576 1.049) 4.335 33.210 ( -0.690 5.410 0.480) 5.475 33.314 ( -0.924 -3.767 1.351) 4.107 33.450 ( -0.805 8.708 -0.097) 8.746 33.661 ( 0.229 -10.780 3.128) 11.227 33.828 ( 1.825 12.626 0.396) 12.763 34.111 ( 1.599 -13.946 1.595) 14.128 42.863 ( -0.309 11.096 1.694) 11.228 42.908 ( 2.516 10.344 -2.755) 10.997 43.087 ( -1.053 -9.651 1.684) 9.853 43.120 ( 1.023 -9.450 -2.767) 9.899 53.227 ( 15.010 46.382 -12.678) 50.372 53.976 ( 2.871 76.611 9.562) 77.259 54.137 ( 3.448 -40.003 -18.611) 44.255 55.636 ( 1.595 -79.507 18.761) 81.706 ======================= Grid point 186 (104/104) ======================= q-point: (-0.10 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 175 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -2.957 17.095 -0.984) 17.376 2.101 ( -3.091 -5.790 -5.267) 8.415 2.164 ( -6.675 9.736 -6.648) 13.548 2.357 ( -5.825 -0.916 1.854) 6.181 2.441 ( -0.804 19.286 9.678) 21.593 2.641 ( -1.264 10.550 -15.169) 18.520 2.755 ( 2.149 -8.294 1.970) 8.792 2.920 ( -1.447 -7.859 3.277) 8.637 3.011 ( 2.970 2.003 -16.147) 16.540 3.172 ( -0.025 -7.932 0.407) 7.942 3.252 ( -1.954 -9.022 -2.019) 9.450 3.377 ( -2.169 -12.028 0.311) 12.225 3.786 ( -1.887 17.826 2.073) 18.045 3.998 ( -5.628 13.296 -2.949) 14.737 4.071 ( 2.224 -8.136 -6.279) 10.515 4.247 ( -7.548 -9.839 -3.384) 12.854 4.331 ( 0.527 16.849 3.838) 17.289 4.618 ( 0.918 -1.382 3.575) 3.942 4.680 ( 1.573 1.213 5.291) 5.652 4.765 ( 1.603 -7.488 4.503) 8.883 4.902 ( 11.554 18.049 -3.913) 21.785 4.957 ( -2.048 10.859 7.962) 13.620 5.075 ( 1.007 -0.633 10.041) 10.111 5.156 ( 4.010 6.386 7.711) 10.785 5.281 ( 6.346 -1.008 -0.084) 6.427 5.403 ( 1.971 16.019 2.408) 16.318 5.445 ( 1.151 9.323 3.338) 9.969 5.514 ( 1.237 1.577 -1.330) 2.405 5.550 ( 1.996 11.900 -4.497) 12.877 5.622 ( 7.047 -3.709 -0.070) 7.964 5.778 ( -1.423 3.119 -4.339) 5.530 5.937 ( 3.075 -1.551 -0.978) 3.580 6.008 ( -3.732 -21.625 -2.825) 22.126 6.134 ( -0.923 -16.661 0.668) 16.700 6.208 ( 0.080 -16.537 -2.989) 16.805 6.247 ( -1.574 -19.513 -1.515) 19.635 6.768 ( 2.292 4.504 2.643) 5.703 6.850 ( 1.963 0.792 4.248) 4.746 6.910 ( 2.176 0.126 -1.040) 2.415 7.023 ( 0.543 -6.758 3.164) 7.482 7.400 ( -7.296 0.697 1.985) 7.594 7.416 ( -9.753 -0.629 0.692) 9.797 7.501 ( -6.448 0.038 -2.357) 6.866 7.519 ( -4.340 -1.096 -5.042) 6.742 8.434 ( 1.269 11.641 -0.552) 11.723 8.582 ( -0.239 -0.717 -4.479) 4.542 9.022 ( 5.538 3.441 6.134) 8.952 9.170 ( 5.101 -9.879 0.897) 11.155 11.650 ( 0.963 2.791 0.165) 2.957 11.667 ( 0.949 2.466 -0.163) 2.647 11.703 ( 0.607 -2.153 0.344) 2.264 11.714 ( 1.092 -1.977 -0.132) 2.262 12.441 ( 4.347 27.373 2.793) 27.856 12.816 ( -1.763 15.074 -5.831) 16.259 13.120 ( 6.448 -20.038 5.886) 21.858 13.386 ( 0.420 -22.766 -1.100) 22.796 15.080 ( 12.539 18.351 2.059) 22.321 15.298 ( 13.381 1.199 0.665) 13.451 15.422 ( 9.640 -2.749 0.366) 10.031 15.511 ( 13.055 -9.053 -1.067) 15.923 15.861 ( -5.814 4.990 0.769) 7.700 16.011 ( -6.823 -7.381 1.009) 10.102 16.120 ( -11.113 8.677 -7.984) 16.203 16.259 ( -7.700 -4.133 -3.147) 9.289 17.196 ( 2.791 13.180 -0.852) 13.499 17.388 ( 2.235 2.361 1.433) 3.553 17.480 ( -4.105 -4.638 -3.568) 7.148 17.561 ( -2.751 -5.292 -0.921) 6.035 25.771 ( 1.966 6.816 0.388) 7.105 25.831 ( 1.783 4.839 -1.354) 5.332 25.979 ( 2.611 -0.012 2.516) 3.626 26.096 ( 0.882 -8.242 -0.088) 8.289 26.926 ( 6.075 31.817 10.827) 34.154 27.575 ( 6.956 -29.111 10.457) 31.705 27.979 ( 17.019 29.873 -25.456) 42.779 28.500 ( 8.612 -20.688 -17.542) 28.459 30.136 ( -3.113 13.905 -1.490) 14.327 30.233 ( -14.455 5.640 -1.352) 15.575 30.404 ( -10.702 -7.160 -0.648) 12.893 30.442 ( -7.012 -11.195 -5.519) 14.316 32.959 ( 2.600 2.214 6.491) 7.334 33.009 ( 3.882 -2.539 7.689) 8.980 33.192 ( -1.289 5.125 -0.423) 5.302 33.295 ( -2.218 -4.414 0.362) 4.953 33.471 ( 1.347 11.159 3.740) 11.845 33.725 ( 1.921 -12.921 6.803) 14.729 33.820 ( -0.865 12.814 -4.226) 13.520 34.108 ( -1.378 -14.313 -2.670) 14.625 42.868 ( -0.858 10.874 1.653) 11.032 42.922 ( 2.078 9.604 -3.682) 10.493 43.081 ( -1.296 -9.210 1.706) 9.456 43.112 ( 1.008 -8.447 -2.689) 8.922 53.446 ( 17.252 44.739 -7.953) 48.605 53.988 ( -5.725 72.231 0.957) 72.464 54.331 ( 23.422 -33.951 7.965) 42.009 55.649 ( -13.641 -78.836 6.053) 80.236 =================== 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 3/33600 10.0 139.522 147.268 177.238 0.000 1.809 0.000 3/33600 20.0 24.733 36.460 36.269 0.000 0.954 0.000 3/33600 30.0 10.108 15.873 15.010 0.000 0.264 0.000 3/33600 40.0 5.763 9.381 8.466 0.000 0.125 0.000 3/33600 50.0 3.919 6.630 5.669 0.000 0.084 0.000 3/33600 60.0 2.953 5.187 4.210 0.000 0.063 0.000 3/33600 70.0 2.372 4.308 3.340 0.000 0.050 0.000 3/33600 80.0 1.989 3.716 2.769 0.000 0.040 0.000 3/33600 90.0 1.717 3.288 2.368 0.000 0.033 0.000 3/33600 100.0 1.515 2.963 2.072 0.000 0.028 0.000 3/33600 110.0 1.360 2.708 1.845 0.000 0.024 0.000 3/33600 120.0 1.236 2.502 1.664 0.000 0.022 0.000 3/33600 130.0 1.136 2.332 1.518 0.000 0.020 0.000 3/33600 140.0 1.053 2.190 1.396 0.000 0.019 0.000 3/33600 150.0 0.983 2.069 1.294 0.000 0.018 0.000 3/33600 160.0 0.923 1.964 1.207 0.000 0.017 0.000 3/33600 170.0 0.871 1.873 1.132 0.000 0.017 0.000 3/33600 180.0 0.826 1.793 1.067 0.000 0.017 0.000 3/33600 190.0 0.786 1.721 1.010 0.000 0.017 0.000 3/33600 200.0 0.750 1.657 0.959 0.000 0.017 0.000 3/33600 210.0 0.718 1.600 0.914 0.000 0.017 0.000 3/33600 220.0 0.690 1.547 0.873 0.000 0.017 0.000 3/33600 230.0 0.664 1.499 0.837 0.000 0.018 0.000 3/33600 240.0 0.640 1.456 0.804 0.000 0.018 0.000 3/33600 250.0 0.619 1.415 0.774 0.000 0.019 0.000 3/33600 260.0 0.599 1.377 0.747 0.000 0.019 0.000 3/33600 270.0 0.580 1.342 0.721 0.000 0.019 0.000 3/33600 280.0 0.563 1.309 0.698 0.000 0.020 0.000 3/33600 290.0 0.547 1.278 0.677 0.000 0.020 0.000 3/33600 300.0 0.532 1.249 0.657 0.000 0.021 0.000 3/33600 310.0 0.518 1.221 0.638 0.000 0.021 0.000 3/33600 320.0 0.505 1.195 0.621 0.000 0.021 0.000 3/33600 330.0 0.492 1.170 0.605 0.000 0.022 0.000 3/33600 340.0 0.480 1.146 0.590 0.000 0.022 0.000 3/33600 350.0 0.469 1.123 0.575 0.000 0.022 0.000 3/33600 360.0 0.458 1.101 0.562 0.000 0.022 0.000 3/33600 370.0 0.448 1.080 0.549 0.000 0.023 0.000 3/33600 380.0 0.439 1.060 0.537 0.000 0.023 0.000 3/33600 390.0 0.429 1.040 0.525 0.000 0.023 0.000 3/33600 400.0 0.421 1.021 0.514 0.000 0.023 0.000 3/33600 410.0 0.412 1.003 0.503 0.000 0.023 0.000 3/33600 420.0 0.404 0.986 0.493 0.000 0.024 0.000 3/33600 430.0 0.396 0.969 0.484 0.000 0.024 0.000 3/33600 440.0 0.389 0.952 0.475 0.000 0.024 0.000 3/33600 450.0 0.381 0.936 0.466 0.000 0.024 0.000 3/33600 460.0 0.374 0.921 0.457 0.000 0.024 0.000 3/33600 470.0 0.368 0.906 0.449 0.000 0.024 0.000 3/33600 480.0 0.361 0.892 0.441 0.000 0.024 0.000 3/33600 490.0 0.355 0.878 0.434 0.000 0.024 0.000 3/33600 500.0 0.349 0.864 0.426 0.000 0.024 0.000 3/33600 510.0 0.343 0.851 0.419 0.000 0.024 0.000 3/33600 520.0 0.337 0.838 0.412 0.000 0.024 0.000 3/33600 530.0 0.332 0.826 0.406 0.000 0.024 0.000 3/33600 540.0 0.326 0.813 0.399 0.000 0.024 0.000 3/33600 550.0 0.321 0.802 0.393 0.000 0.024 0.000 3/33600 560.0 0.316 0.790 0.387 0.000 0.023 0.000 3/33600 570.0 0.311 0.779 0.381 0.000 0.023 0.000 3/33600 580.0 0.307 0.768 0.376 0.000 0.023 0.000 3/33600 590.0 0.302 0.757 0.370 0.000 0.023 0.000 3/33600 600.0 0.298 0.747 0.365 0.000 0.023 0.000 3/33600 610.0 0.293 0.737 0.360 0.000 0.023 0.000 3/33600 620.0 0.289 0.727 0.355 0.000 0.023 0.000 3/33600 630.0 0.285 0.717 0.350 0.000 0.023 0.000 3/33600 640.0 0.281 0.708 0.345 0.000 0.023 0.000 3/33600 650.0 0.277 0.699 0.340 0.000 0.022 0.000 3/33600 660.0 0.274 0.690 0.336 0.000 0.022 0.000 3/33600 670.0 0.270 0.681 0.331 0.000 0.022 0.000 3/33600 680.0 0.266 0.673 0.327 0.000 0.022 0.000 3/33600 690.0 0.263 0.664 0.323 0.000 0.022 0.000 3/33600 700.0 0.259 0.656 0.319 0.000 0.022 0.000 3/33600 710.0 0.256 0.648 0.315 0.000 0.022 0.000 3/33600 720.0 0.253 0.640 0.311 0.000 0.022 0.000 3/33600 730.0 0.250 0.633 0.307 0.000 0.021 0.000 3/33600 740.0 0.247 0.625 0.303 0.000 0.021 0.000 3/33600 750.0 0.244 0.618 0.300 0.000 0.021 0.000 3/33600 760.0 0.241 0.611 0.296 0.000 0.021 0.000 3/33600 770.0 0.238 0.604 0.293 0.000 0.021 0.000 3/33600 780.0 0.235 0.597 0.289 0.000 0.021 0.000 3/33600 790.0 0.232 0.591 0.286 0.000 0.021 0.000 3/33600 800.0 0.230 0.584 0.283 0.000 0.020 0.000 3/33600 810.0 0.227 0.578 0.280 0.000 0.020 0.000 3/33600 820.0 0.224 0.571 0.277 0.000 0.020 0.000 3/33600 830.0 0.222 0.565 0.274 0.000 0.020 0.000 3/33600 840.0 0.219 0.559 0.271 0.000 0.020 0.000 3/33600 850.0 0.217 0.553 0.268 0.000 0.020 0.000 3/33600 860.0 0.215 0.548 0.265 0.000 0.020 0.000 3/33600 870.0 0.212 0.542 0.262 0.000 0.019 0.000 3/33600 880.0 0.210 0.536 0.259 0.000 0.019 0.000 3/33600 890.0 0.208 0.531 0.257 0.000 0.019 0.000 3/33600 900.0 0.206 0.526 0.254 0.000 0.019 0.000 3/33600 910.0 0.204 0.520 0.252 0.000 0.019 0.000 3/33600 920.0 0.202 0.515 0.249 0.000 0.019 0.000 3/33600 930.0 0.200 0.510 0.247 0.000 0.019 0.000 3/33600 940.0 0.198 0.505 0.244 0.000 0.019 0.000 3/33600 950.0 0.196 0.501 0.242 0.000 0.018 0.000 3/33600 960.0 0.194 0.496 0.239 0.000 0.018 0.000 3/33600 970.0 0.192 0.491 0.237 0.000 0.018 0.000 3/33600 980.0 0.190 0.487 0.235 0.000 0.018 0.000 3/33600 990.0 0.188 0.482 0.233 0.000 0.018 0.000 3/33600 1000.0 0.186 0.478 0.231 0.000 0.018 0.000 3/33600 Thermal conductivity related properties were written into "kappa-m1075.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:12:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|