----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 09:45:04]------------------------- 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: [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.693387780000000 Atomic positions (fractional): *1 Rb 0.35269498087950 0.25000000000000 0.77208463763021 85.468 2 Rb 0.14730501912050 0.75000000000000 0.27208463763021 85.468 3 Rb 0.64730501912050 0.75000000000000 0.22791536236979 85.468 4 Rb 0.85269498087950 0.25000000000000 0.72791536236979 85.468 *5 P 0.08913259703420 0.13015868183440 0.28502548990200 30.974 6 P 0.41086740296580 0.86984131816560 0.78502548990200 30.974 7 P 0.91086740296580 0.63015868183440 0.71497451009799 30.974 8 P 0.58913259703420 0.36984131816560 0.21497451009800 30.974 9 P 0.91086740296580 0.86984131816560 0.71497451009799 30.974 10 P 0.58913259703420 0.13015868183440 0.21497451009800 30.974 11 P 0.08913259703420 0.36984131816560 0.28502548990200 30.974 12 P 0.41086740296580 0.63015868183440 0.78502548990200 30.974 *13 P 0.34349602535444 0.99994993826168 0.27944254871953 30.974 14 P 0.15650397464556 0.00005006173832 0.77944254871953 30.974 15 P 0.65650397464556 0.49994993826168 0.72055745128047 30.974 16 P 0.84349602535444 0.50005006173832 0.22055745128047 30.974 17 P 0.65650397464556 0.00005006173832 0.72055745128047 30.974 18 P 0.84349602535444 0.99994993826168 0.22055745128047 30.974 19 P 0.34349602535444 0.50005006173832 0.27944254871953 30.974 20 P 0.15650397464556 0.49994993826168 0.77944254871953 30.974 *21 N 0.12918782815032 0.25000000000000 0.20177704811219 14.007 22 N 0.37081217184968 0.75000000000000 0.70177704811219 14.007 23 N 0.87081217184968 0.75000000000000 0.79822295188781 14.007 24 N 0.62918782815032 0.25000000000000 0.29822295188781 14.007 *25 N 0.11428828274606 0.10646626383263 0.61650538437330 14.007 26 N 0.38571171725394 0.89353373616737 0.11650538437329 14.007 27 N 0.88571171725394 0.60646626383263 0.38349461562670 14.007 28 N 0.61428828274606 0.39353373616737 0.88349461562670 14.007 29 N 0.88571171725394 0.89353373616737 0.38349461562670 14.007 30 N 0.61428828274606 0.10646626383263 0.88349461562670 14.007 31 N 0.11428828274606 0.39353373616737 0.61650538437330 14.007 32 N 0.38571171725394 0.60646626383263 0.11650538437329 14.007 *33 N 0.44048196600441 0.10024862186412 0.32269849975459 14.007 34 N 0.05951803399559 0.89975137813588 0.82269849975459 14.007 35 N 0.55951803399559 0.60024862186412 0.67730150024541 14.007 36 N 0.94048196600441 0.39975137813588 0.17730150024541 14.007 37 N 0.55951803399559 0.89975137813588 0.67730150024541 14.007 38 N 0.94048196600441 0.10024862186412 0.17730150024541 14.007 39 N 0.44048196600441 0.39975137813588 0.32269849975459 14.007 40 N 0.05951803399559 0.60024862186412 0.82269849975459 14.007 *41 N 0.20102448156390 0.04423595724386 0.11407715921542 14.007 42 N 0.29897551843610 0.95576404275614 0.61407715921542 14.007 43 N 0.79897551843610 0.54423595724386 0.88592284078458 14.007 44 N 0.70102448156390 0.45576404275614 0.38592284078458 14.007 45 N 0.79897551843610 0.95576404275614 0.88592284078458 14.007 46 N 0.70102448156390 0.04423595724386 0.38592284078458 14.007 47 N 0.20102448156390 0.45576404275614 0.11407715921542 14.007 48 N 0.29897551843610 0.54423595724386 0.61407715921542 14.007 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.693387780000000 Atomic positions (fractional): *1 Rb 0.35269498087950 0.25000000000000 0.77208463763021 85.468 > 1 2 Rb 0.14730501912050 0.75000000000000 0.27208463763021 85.468 > 2 3 Rb 0.64730501912050 0.75000000000000 0.22791536236979 85.468 > 3 4 Rb 0.85269498087950 0.25000000000000 0.72791536236979 85.468 > 4 *5 P 0.08913259703420 0.13015868183440 0.28502548990200 30.974 > 5 6 P 0.41086740296580 0.86984131816560 0.78502548990201 30.974 > 6 7 P 0.91086740296580 0.63015868183440 0.71497451009799 30.974 > 7 8 P 0.58913259703420 0.36984131816560 0.21497451009800 30.974 > 8 9 P 0.91086740296580 0.86984131816560 0.71497451009799 30.974 > 9 10 P 0.58913259703420 0.13015868183440 0.21497451009800 30.974 > 10 11 P 0.08913259703420 0.36984131816560 0.28502548990200 30.974 > 11 12 P 0.41086740296580 0.63015868183440 0.78502548990201 30.974 > 12 *13 P 0.34349602535444 0.99994993826168 0.27944254871953 30.974 > 13 14 P 0.15650397464556 0.00005006173832 0.77944254871953 30.974 > 14 15 P 0.65650397464556 0.49994993826168 0.72055745128047 30.974 > 15 16 P 0.84349602535444 0.50005006173832 0.22055745128047 30.974 > 16 17 P 0.65650397464556 0.00005006173832 0.72055745128047 30.974 > 17 18 P 0.84349602535444 0.99994993826168 0.22055745128047 30.974 > 18 19 P 0.34349602535444 0.50005006173832 0.27944254871953 30.974 > 19 20 P 0.15650397464556 0.49994993826168 0.77944254871953 30.974 > 20 *21 N 0.12918782815032 0.25000000000000 0.20177704811219 14.007 > 21 22 N 0.37081217184968 0.75000000000000 0.70177704811219 14.007 > 22 23 N 0.87081217184968 0.75000000000000 0.79822295188781 14.007 > 23 24 N 0.62918782815032 0.25000000000000 0.29822295188781 14.007 > 24 *25 N 0.11428828274606 0.10646626383263 0.61650538437330 14.007 > 25 26 N 0.38571171725394 0.89353373616737 0.11650538437329 14.007 > 26 27 N 0.88571171725394 0.60646626383263 0.38349461562670 14.007 > 27 28 N 0.61428828274606 0.39353373616737 0.88349461562670 14.007 > 28 29 N 0.88571171725394 0.89353373616737 0.38349461562670 14.007 > 29 30 N 0.61428828274606 0.10646626383263 0.88349461562670 14.007 > 30 31 N 0.11428828274606 0.39353373616737 0.61650538437330 14.007 > 31 32 N 0.38571171725394 0.60646626383263 0.11650538437329 14.007 > 32 *33 N 0.44048196600441 0.10024862186412 0.32269849975459 14.007 > 33 34 N 0.05951803399559 0.89975137813588 0.82269849975459 14.007 > 34 35 N 0.55951803399559 0.60024862186412 0.67730150024541 14.007 > 35 36 N 0.94048196600441 0.39975137813588 0.17730150024541 14.007 > 36 37 N 0.55951803399559 0.89975137813588 0.67730150024541 14.007 > 37 38 N 0.94048196600441 0.10024862186412 0.17730150024541 14.007 > 38 39 N 0.44048196600441 0.39975137813588 0.32269849975459 14.007 > 39 40 N 0.05951803399559 0.60024862186412 0.82269849975459 14.007 > 40 *41 N 0.20102448156390 0.04423595724386 0.11407715921542 14.007 > 41 42 N 0.29897551843610 0.95576404275614 0.61407715921542 14.007 > 42 43 N 0.79897551843610 0.54423595724386 0.88592284078458 14.007 > 43 44 N 0.70102448156390 0.45576404275614 0.38592284078458 14.007 > 44 45 N 0.79897551843610 0.95576404275614 0.88592284078458 14.007 > 45 46 N 0.70102448156390 0.04423595724386 0.38592284078458 14.007 > 46 47 N 0.20102448156390 0.45576404275614 0.11407715921542 14.007 > 47 48 N 0.29897551843610 0.54423595724386 0.61407715921542 14.007 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.080163340000000 Atomic positions (fractional): *1 Rb 0.35269498087950 0.25000000000000 0.25736154587674 85.468 > 1 2 Rb 0.35269498087950 0.25000000000000 0.59069487921007 85.468 > 1 3 Rb 0.35269498087950 0.25000000000000 0.92402821254340 85.468 > 1 4 Rb 0.14730501912050 0.75000000000000 0.09069487921007 85.468 > 2 5 Rb 0.14730501912050 0.75000000000000 0.42402821254340 85.468 > 2 6 Rb 0.14730501912050 0.75000000000000 0.75736154587674 85.468 > 2 7 Rb 0.64730501912050 0.75000000000000 0.07597178745660 85.468 > 3 8 Rb 0.64730501912050 0.75000000000000 0.40930512078993 85.468 > 3 9 Rb 0.64730501912050 0.75000000000000 0.74263845412326 85.468 > 3 10 Rb 0.85269498087950 0.25000000000000 0.24263845412326 85.468 > 4 11 Rb 0.85269498087950 0.25000000000000 0.57597178745660 85.468 > 4 12 Rb 0.85269498087950 0.25000000000000 0.90930512078993 85.468 > 4 *13 P 0.08913259703420 0.13015868183440 0.09500849663400 30.974 > 5 14 P 0.08913259703420 0.13015868183440 0.42834182996733 30.974 > 5 15 P 0.08913259703420 0.13015868183440 0.76167516330067 30.974 > 5 16 P 0.41086740296580 0.86984131816560 0.26167516330067 30.974 > 6 17 P 0.41086740296580 0.86984131816560 0.59500849663400 30.974 > 6 18 P 0.41086740296580 0.86984131816560 0.92834182996734 30.974 > 6 19 P 0.91086740296580 0.63015868183440 0.23832483669933 30.974 > 7 20 P 0.91086740296580 0.63015868183440 0.57165817003266 30.974 > 7 21 P 0.91086740296580 0.63015868183440 0.90499150336600 30.974 > 7 22 P 0.58913259703420 0.36984131816560 0.07165817003267 30.974 > 8 23 P 0.58913259703420 0.36984131816560 0.40499150336600 30.974 > 8 24 P 0.58913259703420 0.36984131816560 0.73832483669933 30.974 > 8 25 P 0.91086740296580 0.86984131816560 0.23832483669933 30.974 > 9 26 P 0.91086740296580 0.86984131816560 0.57165817003266 30.974 > 9 27 P 0.91086740296580 0.86984131816560 0.90499150336600 30.974 > 9 28 P 0.58913259703420 0.13015868183440 0.07165817003267 30.974 > 10 29 P 0.58913259703420 0.13015868183440 0.40499150336600 30.974 > 10 30 P 0.58913259703420 0.13015868183440 0.73832483669933 30.974 > 10 31 P 0.08913259703420 0.36984131816560 0.09500849663400 30.974 > 11 32 P 0.08913259703420 0.36984131816560 0.42834182996733 30.974 > 11 33 P 0.08913259703420 0.36984131816560 0.76167516330067 30.974 > 11 34 P 0.41086740296580 0.63015868183440 0.26167516330067 30.974 > 12 35 P 0.41086740296580 0.63015868183440 0.59500849663400 30.974 > 12 36 P 0.41086740296580 0.63015868183440 0.92834182996734 30.974 > 12 *37 P 0.34349602535444 0.99994993826168 0.09314751623984 30.974 > 13 38 P 0.34349602535444 0.99994993826168 0.42648084957318 30.974 > 13 39 P 0.34349602535444 0.99994993826168 0.75981418290651 30.974 > 13 40 P 0.15650397464556 0.00005006173832 0.25981418290651 30.974 > 14 41 P 0.15650397464556 0.00005006173832 0.59314751623984 30.974 > 14 42 P 0.15650397464556 0.00005006173832 0.92648084957318 30.974 > 14 43 P 0.65650397464556 0.49994993826168 0.24018581709349 30.974 > 15 44 P 0.65650397464556 0.49994993826168 0.57351915042682 30.974 > 15 45 P 0.65650397464556 0.49994993826168 0.90685248376016 30.974 > 15 46 P 0.84349602535444 0.50005006173832 0.07351915042682 30.974 > 16 47 P 0.84349602535444 0.50005006173832 0.40685248376016 30.974 > 16 48 P 0.84349602535444 0.50005006173832 0.74018581709349 30.974 > 16 49 P 0.65650397464556 0.00005006173832 0.24018581709349 30.974 > 17 50 P 0.65650397464556 0.00005006173832 0.57351915042682 30.974 > 17 51 P 0.65650397464556 0.00005006173832 0.90685248376016 30.974 > 17 52 P 0.84349602535444 0.99994993826168 0.07351915042682 30.974 > 18 53 P 0.84349602535444 0.99994993826168 0.40685248376016 30.974 > 18 54 P 0.84349602535444 0.99994993826168 0.74018581709349 30.974 > 18 55 P 0.34349602535444 0.50005006173832 0.09314751623984 30.974 > 19 56 P 0.34349602535444 0.50005006173832 0.42648084957318 30.974 > 19 57 P 0.34349602535444 0.50005006173832 0.75981418290651 30.974 > 19 58 P 0.15650397464556 0.49994993826168 0.25981418290651 30.974 > 20 59 P 0.15650397464556 0.49994993826168 0.59314751623984 30.974 > 20 60 P 0.15650397464556 0.49994993826168 0.92648084957318 30.974 > 20 *61 N 0.12918782815032 0.25000000000000 0.06725901603740 14.007 > 21 62 N 0.12918782815032 0.25000000000000 0.40059234937073 14.007 > 21 63 N 0.12918782815032 0.25000000000000 0.73392568270406 14.007 > 21 64 N 0.37081217184968 0.75000000000000 0.23392568270406 14.007 > 22 65 N 0.37081217184968 0.75000000000000 0.56725901603740 14.007 > 22 66 N 0.37081217184968 0.75000000000000 0.90059234937073 14.007 > 22 67 N 0.87081217184968 0.75000000000000 0.26607431729594 14.007 > 23 68 N 0.87081217184968 0.75000000000000 0.59940765062927 14.007 > 23 69 N 0.87081217184968 0.75000000000000 0.93274098396260 14.007 > 23 70 N 0.62918782815032 0.25000000000000 0.09940765062927 14.007 > 24 71 N 0.62918782815032 0.25000000000000 0.43274098396260 14.007 > 24 72 N 0.62918782815032 0.25000000000000 0.76607431729594 14.007 > 24 *73 N 0.11428828274606 0.10646626383263 0.20550179479110 14.007 > 25 74 N 0.11428828274606 0.10646626383263 0.53883512812443 14.007 > 25 75 N 0.11428828274606 0.10646626383263 0.87216846145777 14.007 > 25 76 N 0.38571171725394 0.89353373616737 0.03883512812443 14.007 > 26 77 N 0.38571171725394 0.89353373616737 0.37216846145776 14.007 > 26 78 N 0.38571171725394 0.89353373616737 0.70550179479110 14.007 > 26 79 N 0.88571171725394 0.60646626383263 0.12783153854223 14.007 > 27 80 N 0.88571171725394 0.60646626383263 0.46116487187557 14.007 > 27 81 N 0.88571171725394 0.60646626383263 0.79449820520890 14.007 > 27 82 N 0.61428828274606 0.39353373616737 0.29449820520890 14.007 > 28 83 N 0.61428828274606 0.39353373616737 0.62783153854223 14.007 > 28 84 N 0.61428828274606 0.39353373616737 0.96116487187557 14.007 > 28 85 N 0.88571171725394 0.89353373616737 0.12783153854223 14.007 > 29 86 N 0.88571171725394 0.89353373616737 0.46116487187557 14.007 > 29 87 N 0.88571171725394 0.89353373616737 0.79449820520890 14.007 > 29 88 N 0.61428828274606 0.10646626383263 0.29449820520890 14.007 > 30 89 N 0.61428828274606 0.10646626383263 0.62783153854223 14.007 > 30 90 N 0.61428828274606 0.10646626383263 0.96116487187557 14.007 > 30 91 N 0.11428828274606 0.39353373616737 0.20550179479110 14.007 > 31 92 N 0.11428828274606 0.39353373616737 0.53883512812443 14.007 > 31 93 N 0.11428828274606 0.39353373616737 0.87216846145777 14.007 > 31 94 N 0.38571171725394 0.60646626383263 0.03883512812443 14.007 > 32 95 N 0.38571171725394 0.60646626383263 0.37216846145776 14.007 > 32 96 N 0.38571171725394 0.60646626383263 0.70550179479110 14.007 > 32 *97 N 0.44048196600441 0.10024862186412 0.10756616658486 14.007 > 33 98 N 0.44048196600441 0.10024862186412 0.44089949991820 14.007 > 33 99 N 0.44048196600441 0.10024862186412 0.77423283325153 14.007 > 33 100 N 0.05951803399559 0.89975137813588 0.27423283325153 14.007 > 34 101 N 0.05951803399559 0.89975137813588 0.60756616658486 14.007 > 34 102 N 0.05951803399559 0.89975137813588 0.94089949991820 14.007 > 34 103 N 0.55951803399559 0.60024862186412 0.22576716674847 14.007 > 35 104 N 0.55951803399559 0.60024862186412 0.55910050008180 14.007 > 35 105 N 0.55951803399559 0.60024862186412 0.89243383341514 14.007 > 35 106 N 0.94048196600441 0.39975137813588 0.05910050008180 14.007 > 36 107 N 0.94048196600441 0.39975137813588 0.39243383341514 14.007 > 36 108 N 0.94048196600441 0.39975137813588 0.72576716674847 14.007 > 36 109 N 0.55951803399559 0.89975137813588 0.22576716674847 14.007 > 37 110 N 0.55951803399559 0.89975137813588 0.55910050008180 14.007 > 37 111 N 0.55951803399559 0.89975137813588 0.89243383341514 14.007 > 37 112 N 0.94048196600441 0.10024862186412 0.05910050008180 14.007 > 38 113 N 0.94048196600441 0.10024862186412 0.39243383341514 14.007 > 38 114 N 0.94048196600441 0.10024862186412 0.72576716674847 14.007 > 38 115 N 0.44048196600441 0.39975137813588 0.10756616658486 14.007 > 39 116 N 0.44048196600441 0.39975137813588 0.44089949991820 14.007 > 39 117 N 0.44048196600441 0.39975137813588 0.77423283325153 14.007 > 39 118 N 0.05951803399559 0.60024862186412 0.27423283325153 14.007 > 40 119 N 0.05951803399559 0.60024862186412 0.60756616658486 14.007 > 40 120 N 0.05951803399559 0.60024862186412 0.94089949991820 14.007 > 40 *121 N 0.20102448156390 0.04423595724386 0.03802571973847 14.007 > 41 122 N 0.20102448156390 0.04423595724386 0.37135905307181 14.007 > 41 123 N 0.20102448156390 0.04423595724386 0.70469238640514 14.007 > 41 124 N 0.29897551843610 0.95576404275614 0.20469238640514 14.007 > 42 125 N 0.29897551843610 0.95576404275614 0.53802571973847 14.007 > 42 126 N 0.29897551843610 0.95576404275614 0.87135905307181 14.007 > 42 127 N 0.79897551843610 0.54423595724386 0.29530761359486 14.007 > 43 128 N 0.79897551843610 0.54423595724386 0.62864094692819 14.007 > 43 129 N 0.79897551843610 0.54423595724386 0.96197428026153 14.007 > 43 130 N 0.70102448156390 0.45576404275614 0.12864094692819 14.007 > 44 131 N 0.70102448156390 0.45576404275614 0.46197428026153 14.007 > 44 132 N 0.70102448156390 0.45576404275614 0.79530761359486 14.007 > 44 133 N 0.79897551843610 0.95576404275614 0.29530761359486 14.007 > 45 134 N 0.79897551843610 0.95576404275614 0.62864094692819 14.007 > 45 135 N 0.79897551843610 0.95576404275614 0.96197428026153 14.007 > 45 136 N 0.70102448156390 0.04423595724386 0.12864094692819 14.007 > 46 137 N 0.70102448156390 0.04423595724386 0.46197428026153 14.007 > 46 138 N 0.70102448156390 0.04423595724386 0.79530761359486 14.007 > 46 139 N 0.20102448156390 0.45576404275614 0.03802571973847 14.007 > 47 140 N 0.20102448156390 0.45576404275614 0.37135905307181 14.007 > 47 141 N 0.20102448156390 0.45576404275614 0.70469238640514 14.007 > 47 142 N 0.29897551843610 0.54423595724386 0.20469238640514 14.007 > 48 143 N 0.29897551843610 0.54423595724386 0.53802571973847 14.007 > 48 144 N 0.29897551843610 0.54423595724386 0.87135905307181 14.007 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2491197 0.0000000 0.0000000 0.0000000 4.2458941 0.0000000 0.0000000 0.0000000 4.1681490 -------------------------- Born effective charges -------------------------- 1 Rb 1.3290700 0.0000000 -0.0504358 0.0000000 1.3519823 0.0000000 -0.0575582 0.0000000 1.2701476 2 Rb 1.3290700 0.0000000 0.0504358 0.0000000 1.3519823 0.0000000 0.0575582 0.0000000 1.2701476 3 Rb 1.3290700 0.0000000 -0.0504358 0.0000000 1.3519823 0.0000000 -0.0575582 0.0000000 1.2701476 4 Rb 1.3290700 0.0000000 0.0504358 0.0000000 1.3519823 0.0000000 0.0575582 0.0000000 1.2701476 5 P 3.9957327 -0.2271947 0.5234903 0.6957969 4.9188513 -0.7557073 -0.0707025 0.1038734 3.7143513 6 P 3.9957327 -0.2271947 -0.5234903 0.6957969 4.9188513 0.7557073 0.0707025 -0.1038734 3.7143513 7 P 3.9957327 0.2271947 0.5234903 -0.6957969 4.9188513 0.7557073 -0.0707025 -0.1038734 3.7143513 8 P 3.9957327 0.2271947 -0.5234903 -0.6957969 4.9188513 -0.7557073 0.0707025 0.1038734 3.7143513 9 P 3.9957327 -0.2271947 0.5234903 0.6957969 4.9188513 -0.7557073 -0.0707025 0.1038734 3.7143513 10 P 3.9957327 -0.2271947 -0.5234903 0.6957969 4.9188513 0.7557073 0.0707025 -0.1038734 3.7143513 11 P 3.9957327 0.2271947 0.5234903 -0.6957969 4.9188513 0.7557073 -0.0707025 -0.1038734 3.7143513 12 P 3.9957327 0.2271947 -0.5234903 -0.6957969 4.9188513 -0.7557073 0.0707025 0.1038734 3.7143513 13 P 4.2221829 0.5434584 0.2891936 0.1064337 3.2690714 0.0528971 -0.0968312 0.3163838 4.0655810 14 P 4.2221829 0.5434584 -0.2891936 0.1064337 3.2690714 -0.0528971 0.0968312 -0.3163838 4.0655810 15 P 4.2221829 -0.5434584 0.2891936 -0.1064337 3.2690714 -0.0528971 -0.0968312 -0.3163838 4.0655810 16 P 4.2221829 -0.5434584 -0.2891936 -0.1064337 3.2690714 0.0528971 0.0968312 0.3163838 4.0655810 17 P 4.2221829 0.5434584 0.2891936 0.1064337 3.2690714 0.0528971 -0.0968312 0.3163838 4.0655810 18 P 4.2221829 0.5434584 -0.2891936 0.1064337 3.2690714 -0.0528971 0.0968312 -0.3163838 4.0655810 19 P 4.2221829 -0.5434584 0.2891936 -0.1064337 3.2690714 -0.0528971 -0.0968312 -0.3163838 4.0655810 20 P 4.2221829 -0.5434584 -0.2891936 -0.1064337 3.2690714 0.0528971 0.0968312 0.3163838 4.0655810 21 N -1.5214665 0.0000000 0.0646573 0.0000000 -4.7768021 0.0000000 0.1064543 0.0000000 -1.4355148 22 N -1.5214665 0.0000000 -0.0646573 0.0000000 -4.7768021 0.0000000 -0.1064543 0.0000000 -1.4355148 23 N -1.5214665 0.0000000 0.0646573 0.0000000 -4.7768021 0.0000000 0.1064543 0.0000000 -1.4355148 24 N -1.5214665 0.0000000 -0.0646573 0.0000000 -4.7768021 0.0000000 -0.1064543 0.0000000 -1.4355148 25 N -1.7551348 0.3788946 -0.4356315 0.1675889 -2.3167897 1.0188707 -0.3842814 0.9783115 -3.1426866 26 N -1.7551348 0.3788946 0.4356315 0.1675889 -2.3167897 -1.0188707 0.3842814 -0.9783115 -3.1426866 27 N -1.7551348 -0.3788946 -0.4356315 -0.1675889 -2.3167897 -1.0188707 -0.3842814 -0.9783115 -3.1426866 28 N -1.7551348 -0.3788946 0.4356315 -0.1675889 -2.3167897 1.0188707 0.3842814 0.9783115 -3.1426866 29 N -1.7551348 0.3788946 -0.4356315 0.1675889 -2.3167897 1.0188707 -0.3842814 0.9783115 -3.1426866 30 N -1.7551348 0.3788946 0.4356315 0.1675889 -2.3167897 -1.0188707 0.3842814 -0.9783115 -3.1426866 31 N -1.7551348 -0.3788946 -0.4356315 -0.1675889 -2.3167897 -1.0188707 -0.3842814 -0.9783115 -3.1426866 32 N -1.7551348 -0.3788946 0.4356315 -0.1675889 -2.3167897 1.0188707 0.3842814 0.9783115 -3.1426866 33 N -3.4278657 -1.2669821 0.2567147 -1.0536145 -2.4256346 -0.0615346 0.2582304 -0.0035954 -1.6761059 34 N -3.4278657 -1.2669821 -0.2567147 -1.0536145 -2.4256346 0.0615346 -0.2582304 0.0035954 -1.6761059 35 N -3.4278657 1.2669821 0.2567147 1.0536145 -2.4256346 0.0615346 0.2582304 0.0035954 -1.6761059 36 N -3.4278657 1.2669821 -0.2567147 1.0536145 -2.4256346 -0.0615346 -0.2582304 -0.0035954 -1.6761059 37 N -3.4278657 -1.2669821 0.2567147 -1.0536145 -2.4256346 -0.0615346 0.2582304 -0.0035954 -1.6761059 38 N -3.4278657 -1.2669821 -0.2567147 -1.0536145 -2.4256346 0.0615346 -0.2582304 0.0035954 -1.6761059 39 N -3.4278657 1.2669821 0.2567147 1.0536145 -2.4256346 0.0615346 0.2582304 0.0035954 -1.6761059 40 N -3.4278657 1.2669821 -0.2567147 1.0536145 -2.4256346 -0.0615346 -0.2582304 -0.0035954 -1.6761059 41 N -2.9387168 0.5954356 -0.5534997 0.4507820 -1.7330885 -0.4149485 -0.1126902 -0.6300466 -2.8784563 42 N -2.9387168 0.5954356 0.5534997 0.4507820 -1.7330885 0.4149485 0.1126902 0.6300466 -2.8784563 43 N -2.9387168 -0.5954356 -0.5534997 -0.4507820 -1.7330885 0.4149485 -0.1126902 0.6300466 -2.8784563 44 N -2.9387168 -0.5954356 0.5534997 -0.4507820 -1.7330885 -0.4149485 0.1126902 -0.6300466 -2.8784563 45 N -2.9387168 0.5954356 -0.5534997 0.4507820 -1.7330885 -0.4149485 -0.1126902 -0.6300466 -2.8784563 46 N -2.9387168 0.5954356 0.5534997 0.4507820 -1.7330885 0.4149485 0.1126902 0.6300466 -2.8784563 47 N -2.9387168 -0.5954356 -0.5534997 -0.4507820 -1.7330885 0.4149485 -0.1126902 0.6300466 -2.8784563 48 N -2.9387168 -0.5954356 0.5534997 -0.4507820 -1.7330885 -0.4149485 0.1126902 -0.6300466 -2.8784563 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.008 Solver_block: 100 / 720 - Time: 1.292 Solver_block: 200 / 720 - Time: 1.146 Solver_block: 300 / 720 - Time: 1.130 Solver_block: 400 / 720 - Time: 1.125 Solver_block: 500 / 720 - Time: 1.373 Solver_block: 600 / 720 - Time: 1.107 Solver_block: 700 / 720 - Time: 2.007 Solver_block: 720 / 720 - Time: 0.345 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.875 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 31464/31464 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4044 Number of blocks in projector: 4044 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: 888 Use submatrix version of eigh solver. (1) Block: 500 / 888 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 888 / 888 (1) 376 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 330 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 840 / 840 (1) 331 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 492 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 492 Use standard eigh solver. Tree of FC basis block matrices: - (4044, 3989), data: False |-- (492, 485), data: True |-- (492, 485), data: True |-- (492, 485), data: True |-- (840, 830), data: False |-- (840, 9), data: (840, 19) @ (19, 9) |-- (340, 331), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (840, 830), data: False |-- (840, 10), data: (840, 20) @ (20, 10) |-- (340, 330), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (888, 874), data: False |-- (888, 12), data: (888, 26) @ (26, 12) |-- (388, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 09:46:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:00]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.693387780000000 Atomic positions (fractional): 1 Rb 0.35269498087950 0.25000000000000 0.77208463763021 85.468 2 Rb 0.14730501912050 0.75000000000000 0.27208463763021 85.468 3 Rb 0.64730501912050 0.75000000000000 0.22791536236979 85.468 4 Rb 0.85269498087950 0.25000000000000 0.72791536236979 85.468 5 P 0.08913259703420 0.13015868183440 0.28502548990200 30.974 6 P 0.41086740296580 0.86984131816560 0.78502548990200 30.974 7 P 0.91086740296580 0.63015868183440 0.71497451009799 30.974 8 P 0.58913259703420 0.36984131816560 0.21497451009800 30.974 9 P 0.91086740296580 0.86984131816560 0.71497451009799 30.974 10 P 0.58913259703420 0.13015868183440 0.21497451009800 30.974 11 P 0.08913259703420 0.36984131816560 0.28502548990200 30.974 12 P 0.41086740296580 0.63015868183440 0.78502548990200 30.974 13 P 0.34349602535444 0.99994993826168 0.27944254871953 30.974 14 P 0.15650397464556 0.00005006173832 0.77944254871953 30.974 15 P 0.65650397464556 0.49994993826168 0.72055745128047 30.974 16 P 0.84349602535444 0.50005006173832 0.22055745128047 30.974 17 P 0.65650397464556 0.00005006173832 0.72055745128047 30.974 18 P 0.84349602535444 0.99994993826168 0.22055745128047 30.974 19 P 0.34349602535444 0.50005006173832 0.27944254871953 30.974 20 P 0.15650397464556 0.49994993826168 0.77944254871953 30.974 21 N 0.12918782815032 0.25000000000000 0.20177704811219 14.007 22 N 0.37081217184968 0.75000000000000 0.70177704811219 14.007 23 N 0.87081217184968 0.75000000000000 0.79822295188781 14.007 24 N 0.62918782815032 0.25000000000000 0.29822295188781 14.007 25 N 0.11428828274606 0.10646626383263 0.61650538437330 14.007 26 N 0.38571171725394 0.89353373616737 0.11650538437329 14.007 27 N 0.88571171725394 0.60646626383263 0.38349461562670 14.007 28 N 0.61428828274606 0.39353373616737 0.88349461562670 14.007 29 N 0.88571171725394 0.89353373616737 0.38349461562670 14.007 30 N 0.61428828274606 0.10646626383263 0.88349461562670 14.007 31 N 0.11428828274606 0.39353373616737 0.61650538437330 14.007 32 N 0.38571171725394 0.60646626383263 0.11650538437329 14.007 33 N 0.44048196600441 0.10024862186412 0.32269849975459 14.007 34 N 0.05951803399559 0.89975137813588 0.82269849975459 14.007 35 N 0.55951803399559 0.60024862186412 0.67730150024541 14.007 36 N 0.94048196600441 0.39975137813588 0.17730150024541 14.007 37 N 0.55951803399559 0.89975137813588 0.67730150024541 14.007 38 N 0.94048196600441 0.10024862186412 0.17730150024541 14.007 39 N 0.44048196600441 0.39975137813588 0.32269849975459 14.007 40 N 0.05951803399559 0.60024862186412 0.82269849975459 14.007 41 N 0.20102448156390 0.04423595724386 0.11407715921542 14.007 42 N 0.29897551843610 0.95576404275614 0.61407715921542 14.007 43 N 0.79897551843610 0.54423595724386 0.88592284078458 14.007 44 N 0.70102448156390 0.45576404275614 0.38592284078458 14.007 45 N 0.79897551843610 0.95576404275614 0.88592284078458 14.007 46 N 0.70102448156390 0.04423595724386 0.38592284078458 14.007 47 N 0.20102448156390 0.45576404275614 0.11407715921542 14.007 48 N 0.29897551843610 0.54423595724386 0.61407715921542 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.080163340000000 Atomic positions (fractional): 1 Rb 0.35269498087950 0.25000000000000 0.25736154587674 85.468 > 1 2 Rb 0.35269498087950 0.25000000000000 0.59069487921007 85.468 > 1 3 Rb 0.35269498087950 0.25000000000000 0.92402821254340 85.468 > 1 4 Rb 0.14730501912050 0.75000000000000 0.09069487921007 85.468 > 4 5 Rb 0.14730501912050 0.75000000000000 0.42402821254340 85.468 > 4 6 Rb 0.14730501912050 0.75000000000000 0.75736154587674 85.468 > 4 7 Rb 0.64730501912050 0.75000000000000 0.07597178745660 85.468 > 7 8 Rb 0.64730501912050 0.75000000000000 0.40930512078993 85.468 > 7 9 Rb 0.64730501912050 0.75000000000000 0.74263845412326 85.468 > 7 10 Rb 0.85269498087950 0.25000000000000 0.24263845412326 85.468 > 10 11 Rb 0.85269498087950 0.25000000000000 0.57597178745660 85.468 > 10 12 Rb 0.85269498087950 0.25000000000000 0.90930512078993 85.468 > 10 13 P 0.08913259703420 0.13015868183440 0.09500849663400 30.974 > 13 14 P 0.08913259703420 0.13015868183440 0.42834182996733 30.974 > 13 15 P 0.08913259703420 0.13015868183440 0.76167516330067 30.974 > 13 16 P 0.41086740296580 0.86984131816560 0.26167516330067 30.974 > 16 17 P 0.41086740296580 0.86984131816560 0.59500849663400 30.974 > 16 18 P 0.41086740296580 0.86984131816560 0.92834182996734 30.974 > 16 19 P 0.91086740296580 0.63015868183440 0.23832483669933 30.974 > 19 20 P 0.91086740296580 0.63015868183440 0.57165817003266 30.974 > 19 21 P 0.91086740296580 0.63015868183440 0.90499150336600 30.974 > 19 22 P 0.58913259703420 0.36984131816560 0.07165817003267 30.974 > 22 23 P 0.58913259703420 0.36984131816560 0.40499150336600 30.974 > 22 24 P 0.58913259703420 0.36984131816560 0.73832483669933 30.974 > 22 25 P 0.91086740296580 0.86984131816560 0.23832483669933 30.974 > 25 26 P 0.91086740296580 0.86984131816560 0.57165817003266 30.974 > 25 27 P 0.91086740296580 0.86984131816560 0.90499150336600 30.974 > 25 28 P 0.58913259703420 0.13015868183440 0.07165817003267 30.974 > 28 29 P 0.58913259703420 0.13015868183440 0.40499150336600 30.974 > 28 30 P 0.58913259703420 0.13015868183440 0.73832483669933 30.974 > 28 31 P 0.08913259703420 0.36984131816560 0.09500849663400 30.974 > 31 32 P 0.08913259703420 0.36984131816560 0.42834182996733 30.974 > 31 33 P 0.08913259703420 0.36984131816560 0.76167516330067 30.974 > 31 34 P 0.41086740296580 0.63015868183440 0.26167516330067 30.974 > 34 35 P 0.41086740296580 0.63015868183440 0.59500849663400 30.974 > 34 36 P 0.41086740296580 0.63015868183440 0.92834182996734 30.974 > 34 37 P 0.34349602535444 0.99994993826168 0.09314751623984 30.974 > 37 38 P 0.34349602535444 0.99994993826168 0.42648084957318 30.974 > 37 39 P 0.34349602535444 0.99994993826168 0.75981418290651 30.974 > 37 40 P 0.15650397464556 0.00005006173832 0.25981418290651 30.974 > 40 41 P 0.15650397464556 0.00005006173832 0.59314751623984 30.974 > 40 42 P 0.15650397464556 0.00005006173832 0.92648084957318 30.974 > 40 43 P 0.65650397464556 0.49994993826168 0.24018581709349 30.974 > 43 44 P 0.65650397464556 0.49994993826168 0.57351915042682 30.974 > 43 45 P 0.65650397464556 0.49994993826168 0.90685248376016 30.974 > 43 46 P 0.84349602535444 0.50005006173832 0.07351915042682 30.974 > 46 47 P 0.84349602535444 0.50005006173832 0.40685248376016 30.974 > 46 48 P 0.84349602535444 0.50005006173832 0.74018581709349 30.974 > 46 49 P 0.65650397464556 0.00005006173832 0.24018581709349 30.974 > 49 50 P 0.65650397464556 0.00005006173832 0.57351915042682 30.974 > 49 51 P 0.65650397464556 0.00005006173832 0.90685248376016 30.974 > 49 52 P 0.84349602535444 0.99994993826168 0.07351915042682 30.974 > 52 53 P 0.84349602535444 0.99994993826168 0.40685248376016 30.974 > 52 54 P 0.84349602535444 0.99994993826168 0.74018581709349 30.974 > 52 55 P 0.34349602535444 0.50005006173832 0.09314751623984 30.974 > 55 56 P 0.34349602535444 0.50005006173832 0.42648084957318 30.974 > 55 57 P 0.34349602535444 0.50005006173832 0.75981418290651 30.974 > 55 58 P 0.15650397464556 0.49994993826168 0.25981418290651 30.974 > 58 59 P 0.15650397464556 0.49994993826168 0.59314751623984 30.974 > 58 60 P 0.15650397464556 0.49994993826168 0.92648084957318 30.974 > 58 61 N 0.12918782815032 0.25000000000000 0.06725901603740 14.007 > 61 62 N 0.12918782815032 0.25000000000000 0.40059234937073 14.007 > 61 63 N 0.12918782815032 0.25000000000000 0.73392568270406 14.007 > 61 64 N 0.37081217184968 0.75000000000000 0.23392568270406 14.007 > 64 65 N 0.37081217184968 0.75000000000000 0.56725901603740 14.007 > 64 66 N 0.37081217184968 0.75000000000000 0.90059234937073 14.007 > 64 67 N 0.87081217184968 0.75000000000000 0.26607431729594 14.007 > 67 68 N 0.87081217184968 0.75000000000000 0.59940765062927 14.007 > 67 69 N 0.87081217184968 0.75000000000000 0.93274098396260 14.007 > 67 70 N 0.62918782815032 0.25000000000000 0.09940765062927 14.007 > 70 71 N 0.62918782815032 0.25000000000000 0.43274098396260 14.007 > 70 72 N 0.62918782815032 0.25000000000000 0.76607431729594 14.007 > 70 73 N 0.11428828274606 0.10646626383263 0.20550179479110 14.007 > 73 74 N 0.11428828274606 0.10646626383263 0.53883512812443 14.007 > 73 75 N 0.11428828274606 0.10646626383263 0.87216846145777 14.007 > 73 76 N 0.38571171725394 0.89353373616737 0.03883512812443 14.007 > 76 77 N 0.38571171725394 0.89353373616737 0.37216846145776 14.007 > 76 78 N 0.38571171725394 0.89353373616737 0.70550179479110 14.007 > 76 79 N 0.88571171725394 0.60646626383263 0.12783153854223 14.007 > 79 80 N 0.88571171725394 0.60646626383263 0.46116487187557 14.007 > 79 81 N 0.88571171725394 0.60646626383263 0.79449820520890 14.007 > 79 82 N 0.61428828274606 0.39353373616737 0.29449820520890 14.007 > 82 83 N 0.61428828274606 0.39353373616737 0.62783153854223 14.007 > 82 84 N 0.61428828274606 0.39353373616737 0.96116487187557 14.007 > 82 85 N 0.88571171725394 0.89353373616737 0.12783153854223 14.007 > 85 86 N 0.88571171725394 0.89353373616737 0.46116487187557 14.007 > 85 87 N 0.88571171725394 0.89353373616737 0.79449820520890 14.007 > 85 88 N 0.61428828274606 0.10646626383263 0.29449820520890 14.007 > 88 89 N 0.61428828274606 0.10646626383263 0.62783153854223 14.007 > 88 90 N 0.61428828274606 0.10646626383263 0.96116487187557 14.007 > 88 91 N 0.11428828274606 0.39353373616737 0.20550179479110 14.007 > 91 92 N 0.11428828274606 0.39353373616737 0.53883512812443 14.007 > 91 93 N 0.11428828274606 0.39353373616737 0.87216846145777 14.007 > 91 94 N 0.38571171725394 0.60646626383263 0.03883512812443 14.007 > 94 95 N 0.38571171725394 0.60646626383263 0.37216846145776 14.007 > 94 96 N 0.38571171725394 0.60646626383263 0.70550179479110 14.007 > 94 97 N 0.44048196600441 0.10024862186412 0.10756616658486 14.007 > 97 98 N 0.44048196600441 0.10024862186412 0.44089949991820 14.007 > 97 99 N 0.44048196600441 0.10024862186412 0.77423283325153 14.007 > 97 100 N 0.05951803399559 0.89975137813588 0.27423283325153 14.007 > 100 101 N 0.05951803399559 0.89975137813588 0.60756616658486 14.007 > 100 102 N 0.05951803399559 0.89975137813588 0.94089949991820 14.007 > 100 103 N 0.55951803399559 0.60024862186412 0.22576716674847 14.007 > 103 104 N 0.55951803399559 0.60024862186412 0.55910050008180 14.007 > 103 105 N 0.55951803399559 0.60024862186412 0.89243383341514 14.007 > 103 106 N 0.94048196600441 0.39975137813588 0.05910050008180 14.007 > 106 107 N 0.94048196600441 0.39975137813588 0.39243383341514 14.007 > 106 108 N 0.94048196600441 0.39975137813588 0.72576716674847 14.007 > 106 109 N 0.55951803399559 0.89975137813588 0.22576716674847 14.007 > 109 110 N 0.55951803399559 0.89975137813588 0.55910050008180 14.007 > 109 111 N 0.55951803399559 0.89975137813588 0.89243383341514 14.007 > 109 112 N 0.94048196600441 0.10024862186412 0.05910050008180 14.007 > 112 113 N 0.94048196600441 0.10024862186412 0.39243383341514 14.007 > 112 114 N 0.94048196600441 0.10024862186412 0.72576716674847 14.007 > 112 115 N 0.44048196600441 0.39975137813588 0.10756616658486 14.007 > 115 116 N 0.44048196600441 0.39975137813588 0.44089949991820 14.007 > 115 117 N 0.44048196600441 0.39975137813588 0.77423283325153 14.007 > 115 118 N 0.05951803399559 0.60024862186412 0.27423283325153 14.007 > 118 119 N 0.05951803399559 0.60024862186412 0.60756616658486 14.007 > 118 120 N 0.05951803399559 0.60024862186412 0.94089949991820 14.007 > 118 121 N 0.20102448156390 0.04423595724386 0.03802571973847 14.007 > 121 122 N 0.20102448156390 0.04423595724386 0.37135905307181 14.007 > 121 123 N 0.20102448156390 0.04423595724386 0.70469238640514 14.007 > 121 124 N 0.29897551843610 0.95576404275614 0.20469238640514 14.007 > 124 125 N 0.29897551843610 0.95576404275614 0.53802571973847 14.007 > 124 126 N 0.29897551843610 0.95576404275614 0.87135905307181 14.007 > 124 127 N 0.79897551843610 0.54423595724386 0.29530761359486 14.007 > 127 128 N 0.79897551843610 0.54423595724386 0.62864094692819 14.007 > 127 129 N 0.79897551843610 0.54423595724386 0.96197428026153 14.007 > 127 130 N 0.70102448156390 0.45576404275614 0.12864094692819 14.007 > 130 131 N 0.70102448156390 0.45576404275614 0.46197428026153 14.007 > 130 132 N 0.70102448156390 0.45576404275614 0.79530761359486 14.007 > 130 133 N 0.79897551843610 0.95576404275614 0.29530761359486 14.007 > 133 134 N 0.79897551843610 0.95576404275614 0.62864094692819 14.007 > 133 135 N 0.79897551843610 0.95576404275614 0.96197428026153 14.007 > 133 136 N 0.70102448156390 0.04423595724386 0.12864094692819 14.007 > 136 137 N 0.70102448156390 0.04423595724386 0.46197428026153 14.007 > 136 138 N 0.70102448156390 0.04423595724386 0.79530761359486 14.007 > 136 139 N 0.20102448156390 0.45576404275614 0.03802571973847 14.007 > 139 140 N 0.20102448156390 0.45576404275614 0.37135905307181 14.007 > 139 141 N 0.20102448156390 0.45576404275614 0.70469238640514 14.007 > 139 142 N 0.29897551843610 0.54423595724386 0.20469238640514 14.007 > 142 143 N 0.29897551843610 0.54423595724386 0.53802571973847 14.007 > 142 144 N 0.29897551843610 0.54423595724386 0.87135905307181 14.007 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2491197 0.0000000 0.0000000 0.0000000 4.2458941 0.0000000 0.0000000 0.0000000 4.1681490 -------------------------- Born effective charges -------------------------- 1 Rb 1.3290700 0.0000000 -0.0504358 0.0000000 1.3519823 0.0000000 -0.0575582 0.0000000 1.2701476 2 Rb 1.3290700 0.0000000 0.0504358 0.0000000 1.3519823 0.0000000 0.0575582 0.0000000 1.2701476 3 Rb 1.3290700 0.0000000 -0.0504358 0.0000000 1.3519823 0.0000000 -0.0575582 0.0000000 1.2701476 4 Rb 1.3290700 0.0000000 0.0504358 0.0000000 1.3519823 0.0000000 0.0575582 0.0000000 1.2701476 5 P 3.9957327 -0.2271947 0.5234903 0.6957969 4.9188513 -0.7557073 -0.0707025 0.1038734 3.7143513 6 P 3.9957327 -0.2271947 -0.5234903 0.6957969 4.9188513 0.7557073 0.0707025 -0.1038734 3.7143513 7 P 3.9957327 0.2271947 0.5234903 -0.6957969 4.9188513 0.7557073 -0.0707025 -0.1038734 3.7143513 8 P 3.9957327 0.2271947 -0.5234903 -0.6957969 4.9188513 -0.7557073 0.0707025 0.1038734 3.7143513 9 P 3.9957327 -0.2271947 0.5234903 0.6957969 4.9188513 -0.7557073 -0.0707025 0.1038734 3.7143513 10 P 3.9957327 -0.2271947 -0.5234903 0.6957969 4.9188513 0.7557073 0.0707025 -0.1038734 3.7143513 11 P 3.9957327 0.2271947 0.5234903 -0.6957969 4.9188513 0.7557073 -0.0707025 -0.1038734 3.7143513 12 P 3.9957327 0.2271947 -0.5234903 -0.6957969 4.9188513 -0.7557073 0.0707025 0.1038734 3.7143513 13 P 4.2221829 0.5434584 0.2891936 0.1064337 3.2690714 0.0528971 -0.0968312 0.3163838 4.0655810 14 P 4.2221829 0.5434584 -0.2891936 0.1064337 3.2690714 -0.0528971 0.0968312 -0.3163838 4.0655810 15 P 4.2221829 -0.5434584 0.2891936 -0.1064337 3.2690714 -0.0528971 -0.0968312 -0.3163838 4.0655810 16 P 4.2221829 -0.5434584 -0.2891936 -0.1064337 3.2690714 0.0528971 0.0968312 0.3163838 4.0655810 17 P 4.2221829 0.5434584 0.2891936 0.1064337 3.2690714 0.0528971 -0.0968312 0.3163838 4.0655810 18 P 4.2221829 0.5434584 -0.2891936 0.1064337 3.2690714 -0.0528971 0.0968312 -0.3163838 4.0655810 19 P 4.2221829 -0.5434584 0.2891936 -0.1064337 3.2690714 -0.0528971 -0.0968312 -0.3163838 4.0655810 20 P 4.2221829 -0.5434584 -0.2891936 -0.1064337 3.2690714 0.0528971 0.0968312 0.3163838 4.0655810 21 N -1.5214665 0.0000000 0.0646573 0.0000000 -4.7768021 0.0000000 0.1064543 0.0000000 -1.4355148 22 N -1.5214665 0.0000000 -0.0646573 0.0000000 -4.7768021 0.0000000 -0.1064543 0.0000000 -1.4355148 23 N -1.5214665 0.0000000 0.0646573 0.0000000 -4.7768021 0.0000000 0.1064543 0.0000000 -1.4355148 24 N -1.5214665 0.0000000 -0.0646573 0.0000000 -4.7768021 0.0000000 -0.1064543 0.0000000 -1.4355148 25 N -1.7551348 0.3788946 -0.4356315 0.1675889 -2.3167897 1.0188707 -0.3842814 0.9783115 -3.1426866 26 N -1.7551348 0.3788946 0.4356315 0.1675889 -2.3167897 -1.0188707 0.3842814 -0.9783115 -3.1426866 27 N -1.7551348 -0.3788946 -0.4356315 -0.1675889 -2.3167897 -1.0188707 -0.3842814 -0.9783115 -3.1426866 28 N -1.7551348 -0.3788946 0.4356315 -0.1675889 -2.3167897 1.0188707 0.3842814 0.9783115 -3.1426866 29 N -1.7551348 0.3788946 -0.4356315 0.1675889 -2.3167897 1.0188707 -0.3842814 0.9783115 -3.1426866 30 N -1.7551348 0.3788946 0.4356315 0.1675889 -2.3167897 -1.0188707 0.3842814 -0.9783115 -3.1426866 31 N -1.7551348 -0.3788946 -0.4356315 -0.1675889 -2.3167897 -1.0188707 -0.3842814 -0.9783115 -3.1426866 32 N -1.7551348 -0.3788946 0.4356315 -0.1675889 -2.3167897 1.0188707 0.3842814 0.9783115 -3.1426866 33 N -3.4278657 -1.2669821 0.2567147 -1.0536145 -2.4256346 -0.0615346 0.2582304 -0.0035954 -1.6761059 34 N -3.4278657 -1.2669821 -0.2567147 -1.0536145 -2.4256346 0.0615346 -0.2582304 0.0035954 -1.6761059 35 N -3.4278657 1.2669821 0.2567147 1.0536145 -2.4256346 0.0615346 0.2582304 0.0035954 -1.6761059 36 N -3.4278657 1.2669821 -0.2567147 1.0536145 -2.4256346 -0.0615346 -0.2582304 -0.0035954 -1.6761059 37 N -3.4278657 -1.2669821 0.2567147 -1.0536145 -2.4256346 -0.0615346 0.2582304 -0.0035954 -1.6761059 38 N -3.4278657 -1.2669821 -0.2567147 -1.0536145 -2.4256346 0.0615346 -0.2582304 0.0035954 -1.6761059 39 N -3.4278657 1.2669821 0.2567147 1.0536145 -2.4256346 0.0615346 0.2582304 0.0035954 -1.6761059 40 N -3.4278657 1.2669821 -0.2567147 1.0536145 -2.4256346 -0.0615346 -0.2582304 -0.0035954 -1.6761059 41 N -2.9387168 0.5954356 -0.5534997 0.4507820 -1.7330885 -0.4149485 -0.1126902 -0.6300466 -2.8784563 42 N -2.9387168 0.5954356 0.5534997 0.4507820 -1.7330885 0.4149485 0.1126902 0.6300466 -2.8784563 43 N -2.9387168 -0.5954356 -0.5534997 -0.4507820 -1.7330885 0.4149485 -0.1126902 0.6300466 -2.8784563 44 N -2.9387168 -0.5954356 0.5534997 -0.4507820 -1.7330885 -0.4149485 0.1126902 -0.6300466 -2.8784563 45 N -2.9387168 0.5954356 -0.5534997 0.4507820 -1.7330885 -0.4149485 -0.1126902 -0.6300466 -2.8784563 46 N -2.9387168 0.5954356 0.5534997 0.4507820 -1.7330885 0.4149485 0.1126902 0.6300466 -2.8784563 47 N -2.9387168 -0.5954356 -0.5534997 -0.4507820 -1.7330885 0.4149485 -0.1126902 0.6300466 -2.8784563 48 N -2.9387168 -0.5954356 0.5534997 -0.4507820 -1.7330885 -0.4149485 0.1126902 -0.6300466 -2.8784563 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) 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 09:46:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 09:46:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 4.693387780000000 Atomic positions (fractional): 1 Rb 0.35269498087950 0.25000000000000 0.77208463763021 85.468 2 Rb 0.14730501912050 0.75000000000000 0.27208463763021 85.468 3 Rb 0.64730501912050 0.75000000000000 0.22791536236979 85.468 4 Rb 0.85269498087950 0.25000000000000 0.72791536236979 85.468 5 P 0.08913259703420 0.13015868183440 0.28502548990200 30.974 6 P 0.41086740296580 0.86984131816560 0.78502548990200 30.974 7 P 0.91086740296580 0.63015868183440 0.71497451009799 30.974 8 P 0.58913259703420 0.36984131816560 0.21497451009800 30.974 9 P 0.91086740296580 0.86984131816560 0.71497451009799 30.974 10 P 0.58913259703420 0.13015868183440 0.21497451009800 30.974 11 P 0.08913259703420 0.36984131816560 0.28502548990200 30.974 12 P 0.41086740296580 0.63015868183440 0.78502548990200 30.974 13 P 0.34349602535444 0.99994993826168 0.27944254871953 30.974 14 P 0.15650397464556 0.00005006173832 0.77944254871953 30.974 15 P 0.65650397464556 0.49994993826168 0.72055745128047 30.974 16 P 0.84349602535444 0.50005006173832 0.22055745128047 30.974 17 P 0.65650397464556 0.00005006173832 0.72055745128047 30.974 18 P 0.84349602535444 0.99994993826168 0.22055745128047 30.974 19 P 0.34349602535444 0.50005006173832 0.27944254871953 30.974 20 P 0.15650397464556 0.49994993826168 0.77944254871953 30.974 21 N 0.12918782815032 0.25000000000000 0.20177704811219 14.007 22 N 0.37081217184968 0.75000000000000 0.70177704811219 14.007 23 N 0.87081217184968 0.75000000000000 0.79822295188781 14.007 24 N 0.62918782815032 0.25000000000000 0.29822295188781 14.007 25 N 0.11428828274606 0.10646626383263 0.61650538437330 14.007 26 N 0.38571171725394 0.89353373616737 0.11650538437329 14.007 27 N 0.88571171725394 0.60646626383263 0.38349461562670 14.007 28 N 0.61428828274606 0.39353373616737 0.88349461562670 14.007 29 N 0.88571171725394 0.89353373616737 0.38349461562670 14.007 30 N 0.61428828274606 0.10646626383263 0.88349461562670 14.007 31 N 0.11428828274606 0.39353373616737 0.61650538437330 14.007 32 N 0.38571171725394 0.60646626383263 0.11650538437329 14.007 33 N 0.44048196600441 0.10024862186412 0.32269849975459 14.007 34 N 0.05951803399559 0.89975137813588 0.82269849975459 14.007 35 N 0.55951803399559 0.60024862186412 0.67730150024541 14.007 36 N 0.94048196600441 0.39975137813588 0.17730150024541 14.007 37 N 0.55951803399559 0.89975137813588 0.67730150024541 14.007 38 N 0.94048196600441 0.10024862186412 0.17730150024541 14.007 39 N 0.44048196600441 0.39975137813588 0.32269849975459 14.007 40 N 0.05951803399559 0.60024862186412 0.82269849975459 14.007 41 N 0.20102448156390 0.04423595724386 0.11407715921542 14.007 42 N 0.29897551843610 0.95576404275614 0.61407715921542 14.007 43 N 0.79897551843610 0.54423595724386 0.88592284078458 14.007 44 N 0.70102448156390 0.45576404275614 0.38592284078458 14.007 45 N 0.79897551843610 0.95576404275614 0.88592284078458 14.007 46 N 0.70102448156390 0.04423595724386 0.38592284078458 14.007 47 N 0.20102448156390 0.45576404275614 0.11407715921542 14.007 48 N 0.29897551843610 0.54423595724386 0.61407715921542 14.007 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.917759230000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.380204819999998 0.000000000000000 c 0.000000000000000 0.000000000000000 14.080163340000000 Atomic positions (fractional): 1 Rb 0.35269498087950 0.25000000000000 0.25736154587674 85.468 > 1 2 Rb 0.35269498087950 0.25000000000000 0.59069487921007 85.468 > 1 3 Rb 0.35269498087950 0.25000000000000 0.92402821254340 85.468 > 1 4 Rb 0.14730501912050 0.75000000000000 0.09069487921007 85.468 > 4 5 Rb 0.14730501912050 0.75000000000000 0.42402821254340 85.468 > 4 6 Rb 0.14730501912050 0.75000000000000 0.75736154587674 85.468 > 4 7 Rb 0.64730501912050 0.75000000000000 0.07597178745660 85.468 > 7 8 Rb 0.64730501912050 0.75000000000000 0.40930512078993 85.468 > 7 9 Rb 0.64730501912050 0.75000000000000 0.74263845412326 85.468 > 7 10 Rb 0.85269498087950 0.25000000000000 0.24263845412326 85.468 > 10 11 Rb 0.85269498087950 0.25000000000000 0.57597178745660 85.468 > 10 12 Rb 0.85269498087950 0.25000000000000 0.90930512078993 85.468 > 10 13 P 0.08913259703420 0.13015868183440 0.09500849663400 30.974 > 13 14 P 0.08913259703420 0.13015868183440 0.42834182996733 30.974 > 13 15 P 0.08913259703420 0.13015868183440 0.76167516330067 30.974 > 13 16 P 0.41086740296580 0.86984131816560 0.26167516330067 30.974 > 16 17 P 0.41086740296580 0.86984131816560 0.59500849663400 30.974 > 16 18 P 0.41086740296580 0.86984131816560 0.92834182996734 30.974 > 16 19 P 0.91086740296580 0.63015868183440 0.23832483669933 30.974 > 19 20 P 0.91086740296580 0.63015868183440 0.57165817003266 30.974 > 19 21 P 0.91086740296580 0.63015868183440 0.90499150336600 30.974 > 19 22 P 0.58913259703420 0.36984131816560 0.07165817003267 30.974 > 22 23 P 0.58913259703420 0.36984131816560 0.40499150336600 30.974 > 22 24 P 0.58913259703420 0.36984131816560 0.73832483669933 30.974 > 22 25 P 0.91086740296580 0.86984131816560 0.23832483669933 30.974 > 25 26 P 0.91086740296580 0.86984131816560 0.57165817003266 30.974 > 25 27 P 0.91086740296580 0.86984131816560 0.90499150336600 30.974 > 25 28 P 0.58913259703420 0.13015868183440 0.07165817003267 30.974 > 28 29 P 0.58913259703420 0.13015868183440 0.40499150336600 30.974 > 28 30 P 0.58913259703420 0.13015868183440 0.73832483669933 30.974 > 28 31 P 0.08913259703420 0.36984131816560 0.09500849663400 30.974 > 31 32 P 0.08913259703420 0.36984131816560 0.42834182996733 30.974 > 31 33 P 0.08913259703420 0.36984131816560 0.76167516330067 30.974 > 31 34 P 0.41086740296580 0.63015868183440 0.26167516330067 30.974 > 34 35 P 0.41086740296580 0.63015868183440 0.59500849663400 30.974 > 34 36 P 0.41086740296580 0.63015868183440 0.92834182996734 30.974 > 34 37 P 0.34349602535444 0.99994993826168 0.09314751623984 30.974 > 37 38 P 0.34349602535444 0.99994993826168 0.42648084957318 30.974 > 37 39 P 0.34349602535444 0.99994993826168 0.75981418290651 30.974 > 37 40 P 0.15650397464556 0.00005006173832 0.25981418290651 30.974 > 40 41 P 0.15650397464556 0.00005006173832 0.59314751623984 30.974 > 40 42 P 0.15650397464556 0.00005006173832 0.92648084957318 30.974 > 40 43 P 0.65650397464556 0.49994993826168 0.24018581709349 30.974 > 43 44 P 0.65650397464556 0.49994993826168 0.57351915042682 30.974 > 43 45 P 0.65650397464556 0.49994993826168 0.90685248376016 30.974 > 43 46 P 0.84349602535444 0.50005006173832 0.07351915042682 30.974 > 46 47 P 0.84349602535444 0.50005006173832 0.40685248376016 30.974 > 46 48 P 0.84349602535444 0.50005006173832 0.74018581709349 30.974 > 46 49 P 0.65650397464556 0.00005006173832 0.24018581709349 30.974 > 49 50 P 0.65650397464556 0.00005006173832 0.57351915042682 30.974 > 49 51 P 0.65650397464556 0.00005006173832 0.90685248376016 30.974 > 49 52 P 0.84349602535444 0.99994993826168 0.07351915042682 30.974 > 52 53 P 0.84349602535444 0.99994993826168 0.40685248376016 30.974 > 52 54 P 0.84349602535444 0.99994993826168 0.74018581709349 30.974 > 52 55 P 0.34349602535444 0.50005006173832 0.09314751623984 30.974 > 55 56 P 0.34349602535444 0.50005006173832 0.42648084957318 30.974 > 55 57 P 0.34349602535444 0.50005006173832 0.75981418290651 30.974 > 55 58 P 0.15650397464556 0.49994993826168 0.25981418290651 30.974 > 58 59 P 0.15650397464556 0.49994993826168 0.59314751623984 30.974 > 58 60 P 0.15650397464556 0.49994993826168 0.92648084957318 30.974 > 58 61 N 0.12918782815032 0.25000000000000 0.06725901603740 14.007 > 61 62 N 0.12918782815032 0.25000000000000 0.40059234937073 14.007 > 61 63 N 0.12918782815032 0.25000000000000 0.73392568270406 14.007 > 61 64 N 0.37081217184968 0.75000000000000 0.23392568270406 14.007 > 64 65 N 0.37081217184968 0.75000000000000 0.56725901603740 14.007 > 64 66 N 0.37081217184968 0.75000000000000 0.90059234937073 14.007 > 64 67 N 0.87081217184968 0.75000000000000 0.26607431729594 14.007 > 67 68 N 0.87081217184968 0.75000000000000 0.59940765062927 14.007 > 67 69 N 0.87081217184968 0.75000000000000 0.93274098396260 14.007 > 67 70 N 0.62918782815032 0.25000000000000 0.09940765062927 14.007 > 70 71 N 0.62918782815032 0.25000000000000 0.43274098396260 14.007 > 70 72 N 0.62918782815032 0.25000000000000 0.76607431729594 14.007 > 70 73 N 0.11428828274606 0.10646626383263 0.20550179479110 14.007 > 73 74 N 0.11428828274606 0.10646626383263 0.53883512812443 14.007 > 73 75 N 0.11428828274606 0.10646626383263 0.87216846145777 14.007 > 73 76 N 0.38571171725394 0.89353373616737 0.03883512812443 14.007 > 76 77 N 0.38571171725394 0.89353373616737 0.37216846145776 14.007 > 76 78 N 0.38571171725394 0.89353373616737 0.70550179479110 14.007 > 76 79 N 0.88571171725394 0.60646626383263 0.12783153854223 14.007 > 79 80 N 0.88571171725394 0.60646626383263 0.46116487187557 14.007 > 79 81 N 0.88571171725394 0.60646626383263 0.79449820520890 14.007 > 79 82 N 0.61428828274606 0.39353373616737 0.29449820520890 14.007 > 82 83 N 0.61428828274606 0.39353373616737 0.62783153854223 14.007 > 82 84 N 0.61428828274606 0.39353373616737 0.96116487187557 14.007 > 82 85 N 0.88571171725394 0.89353373616737 0.12783153854223 14.007 > 85 86 N 0.88571171725394 0.89353373616737 0.46116487187557 14.007 > 85 87 N 0.88571171725394 0.89353373616737 0.79449820520890 14.007 > 85 88 N 0.61428828274606 0.10646626383263 0.29449820520890 14.007 > 88 89 N 0.61428828274606 0.10646626383263 0.62783153854223 14.007 > 88 90 N 0.61428828274606 0.10646626383263 0.96116487187557 14.007 > 88 91 N 0.11428828274606 0.39353373616737 0.20550179479110 14.007 > 91 92 N 0.11428828274606 0.39353373616737 0.53883512812443 14.007 > 91 93 N 0.11428828274606 0.39353373616737 0.87216846145777 14.007 > 91 94 N 0.38571171725394 0.60646626383263 0.03883512812443 14.007 > 94 95 N 0.38571171725394 0.60646626383263 0.37216846145776 14.007 > 94 96 N 0.38571171725394 0.60646626383263 0.70550179479110 14.007 > 94 97 N 0.44048196600441 0.10024862186412 0.10756616658486 14.007 > 97 98 N 0.44048196600441 0.10024862186412 0.44089949991820 14.007 > 97 99 N 0.44048196600441 0.10024862186412 0.77423283325153 14.007 > 97 100 N 0.05951803399559 0.89975137813588 0.27423283325153 14.007 > 100 101 N 0.05951803399559 0.89975137813588 0.60756616658486 14.007 > 100 102 N 0.05951803399559 0.89975137813588 0.94089949991820 14.007 > 100 103 N 0.55951803399559 0.60024862186412 0.22576716674847 14.007 > 103 104 N 0.55951803399559 0.60024862186412 0.55910050008180 14.007 > 103 105 N 0.55951803399559 0.60024862186412 0.89243383341514 14.007 > 103 106 N 0.94048196600441 0.39975137813588 0.05910050008180 14.007 > 106 107 N 0.94048196600441 0.39975137813588 0.39243383341514 14.007 > 106 108 N 0.94048196600441 0.39975137813588 0.72576716674847 14.007 > 106 109 N 0.55951803399559 0.89975137813588 0.22576716674847 14.007 > 109 110 N 0.55951803399559 0.89975137813588 0.55910050008180 14.007 > 109 111 N 0.55951803399559 0.89975137813588 0.89243383341514 14.007 > 109 112 N 0.94048196600441 0.10024862186412 0.05910050008180 14.007 > 112 113 N 0.94048196600441 0.10024862186412 0.39243383341514 14.007 > 112 114 N 0.94048196600441 0.10024862186412 0.72576716674847 14.007 > 112 115 N 0.44048196600441 0.39975137813588 0.10756616658486 14.007 > 115 116 N 0.44048196600441 0.39975137813588 0.44089949991820 14.007 > 115 117 N 0.44048196600441 0.39975137813588 0.77423283325153 14.007 > 115 118 N 0.05951803399559 0.60024862186412 0.27423283325153 14.007 > 118 119 N 0.05951803399559 0.60024862186412 0.60756616658486 14.007 > 118 120 N 0.05951803399559 0.60024862186412 0.94089949991820 14.007 > 118 121 N 0.20102448156390 0.04423595724386 0.03802571973847 14.007 > 121 122 N 0.20102448156390 0.04423595724386 0.37135905307181 14.007 > 121 123 N 0.20102448156390 0.04423595724386 0.70469238640514 14.007 > 121 124 N 0.29897551843610 0.95576404275614 0.20469238640514 14.007 > 124 125 N 0.29897551843610 0.95576404275614 0.53802571973847 14.007 > 124 126 N 0.29897551843610 0.95576404275614 0.87135905307181 14.007 > 124 127 N 0.79897551843610 0.54423595724386 0.29530761359486 14.007 > 127 128 N 0.79897551843610 0.54423595724386 0.62864094692819 14.007 > 127 129 N 0.79897551843610 0.54423595724386 0.96197428026153 14.007 > 127 130 N 0.70102448156390 0.45576404275614 0.12864094692819 14.007 > 130 131 N 0.70102448156390 0.45576404275614 0.46197428026153 14.007 > 130 132 N 0.70102448156390 0.45576404275614 0.79530761359486 14.007 > 130 133 N 0.79897551843610 0.95576404275614 0.29530761359486 14.007 > 133 134 N 0.79897551843610 0.95576404275614 0.62864094692819 14.007 > 133 135 N 0.79897551843610 0.95576404275614 0.96197428026153 14.007 > 133 136 N 0.70102448156390 0.04423595724386 0.12864094692819 14.007 > 136 137 N 0.70102448156390 0.04423595724386 0.46197428026153 14.007 > 136 138 N 0.70102448156390 0.04423595724386 0.79530761359486 14.007 > 136 139 N 0.20102448156390 0.45576404275614 0.03802571973847 14.007 > 139 140 N 0.20102448156390 0.45576404275614 0.37135905307181 14.007 > 139 141 N 0.20102448156390 0.45576404275614 0.70469238640514 14.007 > 139 142 N 0.29897551843610 0.54423595724386 0.20469238640514 14.007 > 142 143 N 0.29897551843610 0.54423595724386 0.53802571973847 14.007 > 142 144 N 0.29897551843610 0.54423595724386 0.87135905307181 14.007 > 142 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2491197 0.0000000 0.0000000 0.0000000 4.2458941 0.0000000 0.0000000 0.0000000 4.1681490 -------------------------- Born effective charges -------------------------- 1 Rb 1.3290700 0.0000000 -0.0504358 0.0000000 1.3519823 0.0000000 -0.0575582 0.0000000 1.2701476 2 Rb 1.3290700 0.0000000 0.0504358 0.0000000 1.3519823 0.0000000 0.0575582 0.0000000 1.2701476 3 Rb 1.3290700 0.0000000 -0.0504358 0.0000000 1.3519823 0.0000000 -0.0575582 0.0000000 1.2701476 4 Rb 1.3290700 0.0000000 0.0504358 0.0000000 1.3519823 0.0000000 0.0575582 0.0000000 1.2701476 5 P 3.9957327 -0.2271947 0.5234903 0.6957969 4.9188513 -0.7557073 -0.0707025 0.1038734 3.7143513 6 P 3.9957327 -0.2271947 -0.5234903 0.6957969 4.9188513 0.7557073 0.0707025 -0.1038734 3.7143513 7 P 3.9957327 0.2271947 0.5234903 -0.6957969 4.9188513 0.7557073 -0.0707025 -0.1038734 3.7143513 8 P 3.9957327 0.2271947 -0.5234903 -0.6957969 4.9188513 -0.7557073 0.0707025 0.1038734 3.7143513 9 P 3.9957327 -0.2271947 0.5234903 0.6957969 4.9188513 -0.7557073 -0.0707025 0.1038734 3.7143513 10 P 3.9957327 -0.2271947 -0.5234903 0.6957969 4.9188513 0.7557073 0.0707025 -0.1038734 3.7143513 11 P 3.9957327 0.2271947 0.5234903 -0.6957969 4.9188513 0.7557073 -0.0707025 -0.1038734 3.7143513 12 P 3.9957327 0.2271947 -0.5234903 -0.6957969 4.9188513 -0.7557073 0.0707025 0.1038734 3.7143513 13 P 4.2221829 0.5434584 0.2891936 0.1064337 3.2690714 0.0528971 -0.0968312 0.3163838 4.0655810 14 P 4.2221829 0.5434584 -0.2891936 0.1064337 3.2690714 -0.0528971 0.0968312 -0.3163838 4.0655810 15 P 4.2221829 -0.5434584 0.2891936 -0.1064337 3.2690714 -0.0528971 -0.0968312 -0.3163838 4.0655810 16 P 4.2221829 -0.5434584 -0.2891936 -0.1064337 3.2690714 0.0528971 0.0968312 0.3163838 4.0655810 17 P 4.2221829 0.5434584 0.2891936 0.1064337 3.2690714 0.0528971 -0.0968312 0.3163838 4.0655810 18 P 4.2221829 0.5434584 -0.2891936 0.1064337 3.2690714 -0.0528971 0.0968312 -0.3163838 4.0655810 19 P 4.2221829 -0.5434584 0.2891936 -0.1064337 3.2690714 -0.0528971 -0.0968312 -0.3163838 4.0655810 20 P 4.2221829 -0.5434584 -0.2891936 -0.1064337 3.2690714 0.0528971 0.0968312 0.3163838 4.0655810 21 N -1.5214665 0.0000000 0.0646573 0.0000000 -4.7768021 0.0000000 0.1064543 0.0000000 -1.4355148 22 N -1.5214665 0.0000000 -0.0646573 0.0000000 -4.7768021 0.0000000 -0.1064543 0.0000000 -1.4355148 23 N -1.5214665 0.0000000 0.0646573 0.0000000 -4.7768021 0.0000000 0.1064543 0.0000000 -1.4355148 24 N -1.5214665 0.0000000 -0.0646573 0.0000000 -4.7768021 0.0000000 -0.1064543 0.0000000 -1.4355148 25 N -1.7551348 0.3788946 -0.4356315 0.1675889 -2.3167897 1.0188707 -0.3842814 0.9783115 -3.1426866 26 N -1.7551348 0.3788946 0.4356315 0.1675889 -2.3167897 -1.0188707 0.3842814 -0.9783115 -3.1426866 27 N -1.7551348 -0.3788946 -0.4356315 -0.1675889 -2.3167897 -1.0188707 -0.3842814 -0.9783115 -3.1426866 28 N -1.7551348 -0.3788946 0.4356315 -0.1675889 -2.3167897 1.0188707 0.3842814 0.9783115 -3.1426866 29 N -1.7551348 0.3788946 -0.4356315 0.1675889 -2.3167897 1.0188707 -0.3842814 0.9783115 -3.1426866 30 N -1.7551348 0.3788946 0.4356315 0.1675889 -2.3167897 -1.0188707 0.3842814 -0.9783115 -3.1426866 31 N -1.7551348 -0.3788946 -0.4356315 -0.1675889 -2.3167897 -1.0188707 -0.3842814 -0.9783115 -3.1426866 32 N -1.7551348 -0.3788946 0.4356315 -0.1675889 -2.3167897 1.0188707 0.3842814 0.9783115 -3.1426866 33 N -3.4278657 -1.2669821 0.2567147 -1.0536145 -2.4256346 -0.0615346 0.2582304 -0.0035954 -1.6761059 34 N -3.4278657 -1.2669821 -0.2567147 -1.0536145 -2.4256346 0.0615346 -0.2582304 0.0035954 -1.6761059 35 N -3.4278657 1.2669821 0.2567147 1.0536145 -2.4256346 0.0615346 0.2582304 0.0035954 -1.6761059 36 N -3.4278657 1.2669821 -0.2567147 1.0536145 -2.4256346 -0.0615346 -0.2582304 -0.0035954 -1.6761059 37 N -3.4278657 -1.2669821 0.2567147 -1.0536145 -2.4256346 -0.0615346 0.2582304 -0.0035954 -1.6761059 38 N -3.4278657 -1.2669821 -0.2567147 -1.0536145 -2.4256346 0.0615346 -0.2582304 0.0035954 -1.6761059 39 N -3.4278657 1.2669821 0.2567147 1.0536145 -2.4256346 0.0615346 0.2582304 0.0035954 -1.6761059 40 N -3.4278657 1.2669821 -0.2567147 1.0536145 -2.4256346 -0.0615346 -0.2582304 -0.0035954 -1.6761059 41 N -2.9387168 0.5954356 -0.5534997 0.4507820 -1.7330885 -0.4149485 -0.1126902 -0.6300466 -2.8784563 42 N -2.9387168 0.5954356 0.5534997 0.4507820 -1.7330885 0.4149485 0.1126902 0.6300466 -2.8784563 43 N -2.9387168 -0.5954356 -0.5534997 -0.4507820 -1.7330885 0.4149485 -0.1126902 0.6300466 -2.8784563 44 N -2.9387168 -0.5954356 0.5534997 -0.4507820 -1.7330885 -0.4149485 0.1126902 -0.6300466 -2.8784563 45 N -2.9387168 0.5954356 -0.5534997 0.4507820 -1.7330885 -0.4149485 -0.1126902 -0.6300466 -2.8784563 46 N -2.9387168 0.5954356 0.5534997 0.4507820 -1.7330885 0.4149485 0.1126902 0.6300466 -2.8784563 47 N -2.9387168 -0.5954356 -0.5534997 -0.4507820 -1.7330885 0.4149485 -0.1126902 0.6300466 -2.8784563 48 N -2.9387168 -0.5954356 0.5534997 -0.4507820 -1.7330885 -0.4149485 0.1126902 -0.6300466 -2.8784563 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 4 11 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 305, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/54) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 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 2.244 ( 0.000 0.000 0.000) 0.000 2.343 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.633 ( 0.000 0.000 0.000) 0.000 2.651 ( 0.000 0.000 0.000) 0.000 2.707 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.101 ( 0.000 0.000 0.000) 0.000 3.356 ( 0.000 0.000 0.000) 0.000 3.552 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 4.033 ( 0.000 0.000 0.000) 0.000 4.339 ( 0.000 0.000 0.000) 0.000 4.777 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.057 ( 0.000 0.000 0.000) 0.000 5.220 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.067 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.391 ( 0.000 0.000 0.000) 0.000 7.842 ( 0.000 0.000 0.000) 0.000 8.356 ( 0.000 0.000 0.000) 0.000 8.446 ( 0.000 0.000 0.000) 0.000 8.812 ( 0.000 0.000 0.000) 0.000 8.818 ( 0.000 0.000 0.000) 0.000 9.300 ( 0.000 0.000 0.000) 0.000 9.335 ( 0.000 0.000 0.000) 0.000 9.453 ( 0.000 0.000 0.000) 0.000 9.582 ( 0.000 0.000 0.000) 0.000 9.665 ( 0.000 0.000 0.000) 0.000 9.719 ( 0.000 0.000 0.000) 0.000 10.035 ( 0.000 0.000 0.000) 0.000 10.198 ( 0.000 0.000 0.000) 0.000 10.361 ( 0.000 0.000 0.000) 0.000 10.447 ( 0.000 0.000 0.000) 0.000 10.792 ( 0.000 0.000 0.000) 0.000 10.906 ( 0.000 0.000 0.000) 0.000 11.071 ( 0.000 0.000 0.000) 0.000 11.125 ( 0.000 0.000 0.000) 0.000 11.186 ( 0.000 0.000 0.000) 0.000 11.574 ( 0.000 0.000 0.000) 0.000 11.668 ( 0.000 0.000 0.000) 0.000 11.838 ( 0.000 0.000 0.000) 0.000 12.070 ( 0.000 0.000 0.000) 0.000 12.086 ( 0.000 0.000 0.000) 0.000 12.453 ( 0.000 0.000 0.000) 0.000 12.852 ( 0.000 0.000 0.000) 0.000 13.115 ( 0.000 0.000 0.000) 0.000 13.230 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 0.000 0.000) 0.000 13.709 ( 0.000 0.000 0.000) 0.000 13.761 ( 0.000 0.000 0.000) 0.000 13.771 ( 0.000 0.000 0.000) 0.000 14.073 ( 0.000 0.000 0.000) 0.000 14.189 ( 0.000 0.000 0.000) 0.000 14.229 ( 0.000 0.000 0.000) 0.000 14.352 ( 0.000 0.000 0.000) 0.000 14.501 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.797 ( 0.000 0.000 0.000) 0.000 15.111 ( 0.000 0.000 0.000) 0.000 15.113 ( 0.000 0.000 0.000) 0.000 16.145 ( 0.000 0.000 0.000) 0.000 16.417 ( 0.000 0.000 0.000) 0.000 16.820 ( 0.000 0.000 0.000) 0.000 16.943 ( 0.000 0.000 0.000) 0.000 17.163 ( 0.000 0.000 0.000) 0.000 17.911 ( 0.000 0.000 0.000) 0.000 17.970 ( 0.000 0.000 0.000) 0.000 18.910 ( 0.000 0.000 0.000) 0.000 19.224 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 0.000) 0.000 20.398 ( 0.000 0.000 0.000) 0.000 20.746 ( 0.000 0.000 0.000) 0.000 21.007 ( 0.000 0.000 0.000) 0.000 21.667 ( 0.000 0.000 0.000) 0.000 21.781 ( 0.000 0.000 0.000) 0.000 21.840 ( 0.000 0.000 0.000) 0.000 22.109 ( 0.000 0.000 0.000) 0.000 22.163 ( 0.000 0.000 0.000) 0.000 22.863 ( 0.000 0.000 0.000) 0.000 22.996 ( 0.000 0.000 0.000) 0.000 23.062 ( 0.000 0.000 0.000) 0.000 23.063 ( 0.000 0.000 0.000) 0.000 23.846 ( 0.000 0.000 0.000) 0.000 23.927 ( 0.000 0.000 0.000) 0.000 23.927 ( 0.000 0.000 0.000) 0.000 24.062 ( 0.000 0.000 0.000) 0.000 24.654 ( 0.000 0.000 0.000) 0.000 24.670 ( 0.000 0.000 0.000) 0.000 24.883 ( 0.000 0.000 0.000) 0.000 24.945 ( 0.000 0.000 0.000) 0.000 25.091 ( 0.000 0.000 0.000) 0.000 25.303 ( 0.000 0.000 0.000) 0.000 25.436 ( 0.000 0.000 0.000) 0.000 25.974 ( 0.000 0.000 0.000) 0.000 26.085 ( 0.000 0.000 0.000) 0.000 26.600 ( 0.000 0.000 0.000) 0.000 26.854 ( 0.000 0.000 0.000) 0.000 26.952 ( 0.000 0.000 0.000) 0.000 26.959 ( 0.000 0.000 0.000) 0.000 27.371 ( 0.000 0.000 0.000) 0.000 27.536 ( 0.000 0.000 0.000) 0.000 27.630 ( 0.000 0.000 0.000) 0.000 27.736 ( 0.000 0.000 0.000) 0.000 28.237 ( 0.000 0.000 0.000) 0.000 29.686 ( 0.000 0.000 0.000) 0.000 34.855 ( 0.000 0.000 0.000) 0.000 35.070 ( 0.000 0.000 0.000) 0.000 35.079 ( 0.000 0.000 0.000) 0.000 35.336 ( 0.000 0.000 0.000) 0.000 35.372 ( 0.000 0.000 0.000) 0.000 35.387 ( 0.000 0.000 0.000) 0.000 35.398 ( 0.000 0.000 0.000) 0.000 35.688 ( 0.000 0.000 0.000) 0.000 35.700 ( 0.000 0.000 0.000) 0.000 35.934 ( 0.000 0.000 0.000) 0.000 36.455 ( 0.000 0.000 0.000) 0.000 36.556 ( 0.000 0.000 0.000) 0.000 36.864 ( 0.000 0.000 0.000) 0.000 36.994 ( 0.000 0.000 0.000) 0.000 38.223 ( 0.000 0.000 0.000) 0.000 38.756 ( 0.000 0.000 0.000) 0.000 39.158 ( 0.000 0.000 0.000) 0.000 39.473 ( 0.000 0.000 0.000) 0.000 39.599 ( 0.000 0.000 0.000) 0.000 39.759 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/54) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 46.617 0.000 0.000) 46.617 0.999 ( 47.500 0.000 0.000) 47.500 1.574 ( 66.046 0.000 0.000) 66.046 2.280 ( 4.289 0.000 0.000) 4.289 2.358 ( 0.988 0.000 0.000) 0.988 2.566 ( 0.542 0.000 0.000) 0.542 2.584 ( -4.870 0.000 0.000) 4.870 2.653 ( 0.044 0.000 0.000) 0.044 2.672 ( -2.736 0.000 0.000) 2.736 2.771 ( 3.044 0.000 0.000) 3.044 2.812 ( -1.484 0.000 0.000) 1.484 2.975 ( -4.823 0.000 0.000) 4.823 3.110 ( 1.187 0.000 0.000) 1.187 3.302 ( -5.126 0.000 0.000) 5.126 3.353 ( 13.956 0.000 0.000) 13.956 3.659 ( 5.688 0.000 0.000) 5.688 3.787 ( 18.183 0.000 0.000) 18.183 3.831 ( -4.498 0.000 0.000) 4.498 4.258 ( -32.453 0.000 0.000) 32.453 4.401 ( 33.604 0.000 0.000) 33.604 4.409 ( 6.482 0.000 0.000) 6.482 5.089 ( 3.920 0.000 0.000) 3.920 5.185 ( 4.034 0.000 0.000) 4.034 5.221 ( 0.249 0.000 0.000) 0.249 5.726 ( -7.554 0.000 0.000) 7.554 5.847 ( -15.084 0.000 0.000) 15.084 5.869 ( 14.109 0.000 0.000) 14.109 6.013 ( -6.738 0.000 0.000) 6.738 6.154 ( -19.771 0.000 0.000) 19.771 6.267 ( 6.207 0.000 0.000) 6.207 6.919 ( 37.990 0.000 0.000) 37.990 7.073 ( -27.102 0.000 0.000) 27.102 7.539 ( 18.720 0.000 0.000) 18.720 7.677 ( -11.331 0.000 0.000) 11.331 7.869 ( -38.627 0.000 0.000) 38.627 8.293 ( -25.015 0.000 0.000) 25.015 8.900 ( -2.949 0.000 0.000) 2.949 9.034 ( -23.877 0.000 0.000) 23.877 9.049 ( 16.663 0.000 0.000) 16.663 9.161 ( 8.027 0.000 0.000) 8.027 9.222 ( -6.603 0.000 0.000) 6.603 9.338 ( -31.545 0.000 0.000) 31.545 9.819 ( 4.355 0.000 0.000) 4.355 9.914 ( 9.470 0.000 0.000) 9.470 10.183 ( 22.041 0.000 0.000) 22.041 10.300 ( 8.777 0.000 0.000) 8.777 10.343 ( -1.045 0.000 0.000) 1.045 10.434 ( -2.472 0.000 0.000) 2.472 10.783 ( -5.593 0.000 0.000) 5.593 10.998 ( -5.899 0.000 0.000) 5.899 11.061 ( 8.718 0.000 0.000) 8.718 11.135 ( -2.885 0.000 0.000) 2.885 11.277 ( 11.331 0.000 0.000) 11.331 11.666 ( -2.154 0.000 0.000) 2.154 11.723 ( -5.158 0.000 0.000) 5.158 11.939 ( 18.326 0.000 0.000) 18.326 12.116 ( -1.461 0.000 0.000) 1.461 12.164 ( 8.632 0.000 0.000) 8.632 12.468 ( 3.425 0.000 0.000) 3.425 12.808 ( -4.438 0.000 0.000) 4.438 13.035 ( -9.918 0.000 0.000) 9.918 13.054 ( -12.006 0.000 0.000) 12.006 13.186 ( 0.103 0.000 0.000) 0.103 13.288 ( 1.023 0.000 0.000) 1.023 13.424 ( -9.811 0.000 0.000) 9.811 13.657 ( 0.623 0.000 0.000) 0.623 13.761 ( 8.800 0.000 0.000) 8.800 13.797 ( -3.932 0.000 0.000) 3.932 13.938 ( 13.206 0.000 0.000) 13.206 14.085 ( 6.153 0.000 0.000) 6.153 14.215 ( -2.048 0.000 0.000) 2.048 14.306 ( 1.084 0.000 0.000) 1.084 14.360 ( -4.090 0.000 0.000) 4.090 14.363 ( 11.557 0.000 0.000) 11.557 14.491 ( -1.200 0.000 0.000) 1.200 14.587 ( 6.872 0.000 0.000) 6.872 14.797 ( -0.427 0.000 0.000) 0.427 15.177 ( 6.156 0.000 0.000) 6.156 15.819 ( -10.794 0.000 0.000) 10.794 15.872 ( -23.087 0.000 0.000) 23.087 16.518 ( 7.827 0.000 0.000) 7.827 16.868 ( 3.178 0.000 0.000) 3.178 16.903 ( -3.634 0.000 0.000) 3.634 17.119 ( -4.025 0.000 0.000) 4.025 18.116 ( 17.516 0.000 0.000) 17.516 18.131 ( 15.244 0.000 0.000) 15.244 18.879 ( -3.357 0.000 0.000) 3.357 19.368 ( -11.481 0.000 0.000) 11.481 20.406 ( 0.987 0.000 0.000) 0.987 20.436 ( 5.362 0.000 0.000) 5.362 20.803 ( 5.641 0.000 0.000) 5.641 20.841 ( -13.471 0.000 0.000) 13.471 21.383 ( -19.522 0.000 0.000) 19.522 21.593 ( -15.988 0.000 0.000) 15.988 22.006 ( 8.310 0.000 0.000) 8.310 22.168 ( 0.382 0.000 0.000) 0.382 22.340 ( 10.016 0.000 0.000) 10.016 22.828 ( -3.491 0.000 0.000) 3.491 22.996 ( 0.036 0.000 0.000) 0.036 23.051 ( -1.074 0.000 0.000) 1.074 23.182 ( 9.734 0.000 0.000) 9.734 23.758 ( -7.128 0.000 0.000) 7.128 23.929 ( 0.158 0.000 0.000) 0.158 23.930 ( 0.274 0.000 0.000) 0.274 24.141 ( 6.223 0.000 0.000) 6.223 24.593 ( -6.561 0.000 0.000) 6.561 24.686 ( 3.127 0.000 0.000) 3.127 24.905 ( 1.999 0.000 0.000) 1.999 24.973 ( 1.823 0.000 0.000) 1.823 25.033 ( -5.291 0.000 0.000) 5.291 25.326 ( 2.000 0.000 0.000) 2.000 25.428 ( -0.747 0.000 0.000) 0.747 26.213 ( 21.939 0.000 0.000) 21.939 26.625 ( 3.298 0.000 0.000) 3.298 26.842 ( -1.341 0.000 0.000) 1.341 26.886 ( -1.009 0.000 0.000) 1.009 27.070 ( 10.234 0.000 0.000) 10.234 27.294 ( -6.912 0.000 0.000) 6.912 27.363 ( 16.716 0.000 0.000) 16.716 27.553 ( -7.627 0.000 0.000) 7.627 27.775 ( 2.910 0.000 0.000) 2.910 28.079 ( -15.073 0.000 0.000) 15.073 29.666 ( -1.663 0.000 0.000) 1.663 29.784 ( -4.773 0.000 0.000) 4.773 34.894 ( 3.757 0.000 0.000) 3.757 35.080 ( 0.072 0.000 0.000) 0.072 35.080 ( 0.894 0.000 0.000) 0.894 35.309 ( -3.167 0.000 0.000) 3.167 35.375 ( 0.220 0.000 0.000) 0.220 35.392 ( 0.572 0.000 0.000) 0.572 35.395 ( -0.242 0.000 0.000) 0.242 35.550 ( -7.962 0.000 0.000) 7.962 36.128 ( 13.797 0.000 0.000) 13.797 36.452 ( -0.197 0.000 0.000) 0.197 36.526 ( -2.445 0.000 0.000) 2.445 36.811 ( -5.238 0.000 0.000) 5.238 37.054 ( 5.208 0.000 0.000) 5.208 37.326 ( -1.513 0.000 0.000) 1.513 38.278 ( 5.233 0.000 0.000) 5.233 38.714 ( -4.205 0.000 0.000) 4.205 39.498 ( 2.620 0.000 0.000) 2.620 39.591 ( -0.556 0.000 0.000) 0.556 39.713 ( -3.996 0.000 0.000) 3.996 39.950 ( -8.212 0.000 0.000) 8.212 ======================= Grid point 2 (3/54) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 35.817 0.000 0.000) 35.817 1.862 ( 43.871 0.000 0.000) 43.871 2.246 ( 5.744 0.000 0.000) 5.744 2.350 ( -2.204 0.000 0.000) 2.204 2.397 ( -13.784 0.000 0.000) 13.784 2.498 ( -13.221 0.000 0.000) 13.221 2.554 ( 14.984 0.000 0.000) 14.984 2.635 ( -0.656 0.000 0.000) 0.656 2.659 ( 1.515 0.000 0.000) 1.515 2.761 ( -4.026 0.000 0.000) 4.026 2.826 ( 2.179 0.000 0.000) 2.179 2.885 ( -3.917 0.000 0.000) 3.917 3.183 ( 7.557 0.000 0.000) 7.557 3.200 ( -2.850 0.000 0.000) 2.850 3.371 ( -24.292 0.000 0.000) 24.292 3.442 ( -15.046 0.000 0.000) 15.046 4.069 ( 7.885 0.000 0.000) 7.885 4.092 ( 8.400 0.000 0.000) 8.400 4.106 ( 38.409 0.000 0.000) 38.409 4.526 ( 0.237 0.000 0.000) 0.237 5.094 ( 21.951 0.000 0.000) 21.951 5.204 ( -0.009 0.000 0.000) 0.009 5.224 ( 9.633 0.000 0.000) 9.633 5.248 ( 3.420 0.000 0.000) 3.420 5.503 ( -14.776 0.000 0.000) 14.776 5.702 ( -24.811 0.000 0.000) 24.811 5.862 ( 19.905 0.000 0.000) 19.905 5.890 ( 5.346 0.000 0.000) 5.346 6.236 ( -12.832 0.000 0.000) 12.832 6.317 ( 28.443 0.000 0.000) 28.443 6.425 ( -33.680 0.000 0.000) 33.680 7.036 ( -41.667 0.000 0.000) 41.667 7.521 ( -1.670 0.000 0.000) 1.670 7.689 ( -21.125 0.000 0.000) 21.125 7.738 ( 41.826 0.000 0.000) 41.826 7.947 ( 21.540 0.000 0.000) 21.540 8.446 ( -28.823 0.000 0.000) 28.823 8.586 ( -41.059 0.000 0.000) 41.059 9.101 ( -3.665 0.000 0.000) 3.665 9.119 ( -5.104 0.000 0.000) 5.104 9.125 ( 13.491 0.000 0.000) 13.491 9.267 ( 1.799 0.000 0.000) 1.799 10.046 ( 14.752 0.000 0.000) 14.752 10.304 ( 23.376 0.000 0.000) 23.376 10.307 ( -10.220 0.000 0.000) 10.220 10.363 ( 3.137 0.000 0.000) 3.137 10.373 ( 3.826 0.000 0.000) 3.826 10.532 ( 7.215 0.000 0.000) 7.215 10.650 ( -6.624 0.000 0.000) 6.624 10.746 ( -18.587 0.000 0.000) 18.587 11.141 ( 2.078 0.000 0.000) 2.078 11.159 ( 1.252 0.000 0.000) 1.252 11.567 ( 16.988 0.000 0.000) 16.988 11.608 ( -3.357 0.000 0.000) 3.357 11.612 ( -2.579 0.000 0.000) 2.579 11.918 ( -16.085 0.000 0.000) 16.085 12.349 ( 17.261 0.000 0.000) 17.261 12.371 ( 10.149 0.000 0.000) 10.149 12.615 ( 9.360 0.000 0.000) 9.360 12.684 ( -5.933 0.000 0.000) 5.933 12.800 ( -13.057 0.000 0.000) 13.057 12.819 ( -10.959 0.000 0.000) 10.959 13.278 ( -1.120 0.000 0.000) 1.120 13.289 ( -3.189 0.000 0.000) 3.189 13.351 ( 14.982 0.000 0.000) 14.982 13.673 ( 1.087 0.000 0.000) 1.087 13.678 ( -14.405 0.000 0.000) 14.405 13.713 ( -3.125 0.000 0.000) 3.125 14.178 ( 8.992 0.000 0.000) 8.992 14.196 ( 4.049 0.000 0.000) 4.049 14.255 ( 1.883 0.000 0.000) 1.883 14.272 ( -4.076 0.000 0.000) 4.076 14.376 ( 4.001 0.000 0.000) 4.001 14.448 ( -3.043 0.000 0.000) 3.043 14.597 ( 10.579 0.000 0.000) 10.579 14.753 ( -4.627 0.000 0.000) 4.627 14.837 ( 19.955 0.000 0.000) 19.955 15.341 ( -27.571 0.000 0.000) 27.571 15.346 ( 10.247 0.000 0.000) 10.247 15.577 ( -12.298 0.000 0.000) 12.298 16.677 ( 7.377 0.000 0.000) 7.377 16.808 ( -5.629 0.000 0.000) 5.629 16.934 ( 3.687 0.000 0.000) 3.687 17.023 ( -4.991 0.000 0.000) 4.991 18.489 ( 17.077 0.000 0.000) 17.077 18.538 ( 23.660 0.000 0.000) 23.660 18.757 ( -9.304 0.000 0.000) 9.304 19.019 ( -22.221 0.000 0.000) 22.221 20.451 ( 3.928 0.000 0.000) 3.928 20.587 ( -10.023 0.000 0.000) 10.023 20.622 ( 13.475 0.000 0.000) 13.475 20.970 ( -20.104 0.000 0.000) 20.104 20.973 ( 11.275 0.000 0.000) 11.275 21.253 ( -16.146 0.000 0.000) 16.146 22.126 ( 3.764 0.000 0.000) 3.764 22.168 ( -0.705 0.000 0.000) 0.705 22.552 ( 9.937 0.000 0.000) 9.937 22.723 ( -6.891 0.000 0.000) 6.891 23.002 ( 0.715 0.000 0.000) 0.715 23.024 ( -1.365 0.000 0.000) 1.365 23.392 ( 10.407 0.000 0.000) 10.407 23.591 ( -9.200 0.000 0.000) 9.200 23.933 ( 0.171 0.000 0.000) 0.171 23.934 ( 0.050 0.000 0.000) 0.050 24.282 ( 7.548 0.000 0.000) 7.548 24.441 ( -8.023 0.000 0.000) 8.023 24.776 ( 5.637 0.000 0.000) 5.637 24.904 ( -6.821 0.000 0.000) 6.821 24.954 ( 2.491 0.000 0.000) 2.491 24.988 ( -0.586 0.000 0.000) 0.586 25.369 ( 2.069 0.000 0.000) 2.069 25.406 ( -1.487 0.000 0.000) 1.487 26.661 ( 11.295 0.000 0.000) 11.295 26.790 ( -4.092 0.000 0.000) 4.092 26.829 ( 24.280 0.000 0.000) 24.280 26.951 ( 6.749 0.000 0.000) 6.749 27.123 ( -9.345 0.000 0.000) 9.345 27.308 ( -17.775 0.000 0.000) 17.775 27.321 ( 14.555 0.000 0.000) 14.555 27.669 ( 11.752 0.000 0.000) 11.752 27.684 ( -21.393 0.000 0.000) 21.393 27.802 ( -1.652 0.000 0.000) 1.652 29.641 ( -0.116 0.000 0.000) 0.116 29.683 ( -4.232 0.000 0.000) 4.232 34.996 ( 5.669 0.000 0.000) 5.669 35.071 ( -1.386 0.000 0.000) 1.386 35.109 ( 2.169 0.000 0.000) 2.169 35.200 ( -6.617 0.000 0.000) 6.617 35.381 ( 0.374 0.000 0.000) 0.374 35.389 ( -0.390 0.000 0.000) 0.390 35.409 ( 1.137 0.000 0.000) 1.137 35.444 ( -2.756 0.000 0.000) 2.756 36.412 ( 13.617 0.000 0.000) 13.617 36.454 ( 0.548 0.000 0.000) 0.548 36.479 ( -1.932 0.000 0.000) 1.932 36.655 ( -10.123 0.000 0.000) 10.123 37.173 ( 5.896 0.000 0.000) 5.896 37.273 ( -3.829 0.000 0.000) 3.829 38.420 ( 8.368 0.000 0.000) 8.368 38.590 ( -7.807 0.000 0.000) 7.807 39.587 ( 6.446 0.000 0.000) 6.446 39.589 ( 0.693 0.000 0.000) 0.693 39.630 ( -3.444 0.000 0.000) 3.444 39.756 ( -9.859 0.000 0.000) 9.859 ======================= Grid point 5 (4/54) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 46.913 0.000) 46.913 0.996 ( 0.000 47.767 0.000) 47.767 1.633 ( 0.000 72.642 0.000) 72.642 2.254 ( 0.000 -2.406 0.000) 2.406 2.338 ( 0.000 -1.299 0.000) 1.299 2.538 ( 0.000 -18.776 0.000) 18.776 2.538 ( 0.000 -2.252 0.000) 2.252 2.622 ( 0.000 -1.040 0.000) 1.040 2.632 ( 0.000 -1.909 0.000) 1.909 2.717 ( 0.000 1.050 0.000) 1.050 2.808 ( 0.000 -2.084 0.000) 2.084 2.995 ( 0.000 -5.307 0.000) 5.307 3.035 ( 0.000 -3.066 0.000) 3.066 3.114 ( 0.000 1.318 0.000) 1.318 3.223 ( 0.000 -21.391 0.000) 21.391 3.302 ( 0.000 -13.117 0.000) 13.117 3.566 ( 0.000 7.390 0.000) 7.390 4.007 ( 0.000 -3.169 0.000) 3.169 4.045 ( 0.000 12.821 0.000) 12.821 4.233 ( 0.000 -5.030 0.000) 5.030 4.785 ( 0.000 -22.896 0.000) 22.896 5.161 ( 0.000 18.803 0.000) 18.803 5.189 ( 0.000 11.622 0.000) 11.622 5.389 ( 0.000 -40.521 0.000) 40.521 5.572 ( 0.000 -14.047 0.000) 14.047 5.621 ( 0.000 40.446 0.000) 40.446 5.774 ( 0.000 -12.278 0.000) 12.278 5.991 ( 0.000 -0.827 0.000) 0.827 6.052 ( 0.000 -9.375 0.000) 9.375 6.787 ( 0.000 17.115 0.000) 17.115 6.814 ( 0.000 21.364 0.000) 21.364 7.247 ( 0.000 -6.142 0.000) 6.142 7.531 ( 0.000 13.268 0.000) 13.268 8.066 ( 0.000 -16.734 0.000) 16.734 8.145 ( 0.000 27.217 0.000) 27.217 8.321 ( 0.000 -10.707 0.000) 10.707 8.788 ( 0.000 0.162 0.000) 0.162 8.809 ( 0.000 -3.788 0.000) 3.788 9.194 ( 0.000 -6.576 0.000) 6.576 9.254 ( 0.000 -14.467 0.000) 14.467 9.277 ( 0.000 -22.106 0.000) 22.106 9.609 ( 0.000 5.843 0.000) 5.843 9.691 ( 0.000 0.030 0.000) 0.030 9.728 ( 0.000 1.586 0.000) 1.586 9.809 ( 0.000 -42.636 0.000) 42.636 9.910 ( 0.000 -7.297 0.000) 7.297 10.518 ( 0.000 24.123 0.000) 24.123 10.553 ( 0.000 14.669 0.000) 14.669 10.946 ( 0.000 0.348 0.000) 0.348 11.020 ( 0.000 7.426 0.000) 7.426 11.146 ( 0.000 0.925 0.000) 0.925 11.191 ( 0.000 -0.368 0.000) 0.368 11.444 ( 0.000 34.885 0.000) 34.885 11.611 ( 0.000 -5.063 0.000) 5.063 11.652 ( 0.000 -12.834 0.000) 12.834 11.998 ( 0.000 32.984 0.000) 32.984 12.140 ( 0.000 7.020 0.000) 7.020 12.215 ( 0.000 8.354 0.000) 8.354 12.451 ( 0.000 -1.256 0.000) 1.256 12.834 ( 0.000 -17.815 0.000) 17.815 12.918 ( 0.000 -25.567 0.000) 25.567 12.951 ( 0.000 8.974 0.000) 8.974 13.263 ( 0.000 3.885 0.000) 3.885 13.374 ( 0.000 -17.350 0.000) 17.350 13.445 ( 0.000 -12.360 0.000) 12.360 13.579 ( 0.000 2.018 0.000) 2.018 13.692 ( 0.000 -1.583 0.000) 1.583 13.705 ( 0.000 -9.162 0.000) 9.162 13.814 ( 0.000 3.746 0.000) 3.746 13.868 ( 0.000 19.303 0.000) 19.303 13.968 ( 0.000 -4.898 0.000) 4.898 14.196 ( 0.000 0.862 0.000) 0.862 14.336 ( 0.000 -2.321 0.000) 2.321 14.383 ( 0.000 -9.131 0.000) 9.131 14.527 ( 0.000 2.890 0.000) 2.890 14.793 ( 0.000 -2.087 0.000) 2.087 15.091 ( 0.000 -1.829 0.000) 1.829 15.219 ( 0.000 -17.295 0.000) 17.295 15.403 ( 0.000 24.689 0.000) 24.689 16.375 ( 0.000 19.079 0.000) 19.079 16.508 ( 0.000 -23.305 0.000) 23.305 16.657 ( 0.000 16.840 0.000) 16.840 16.975 ( 0.000 -3.635 0.000) 3.635 17.115 ( 0.000 -4.990 0.000) 4.990 17.916 ( 0.000 0.418 0.000) 0.418 17.956 ( 0.000 -1.211 0.000) 1.211 19.058 ( 0.000 2.693 0.000) 2.693 19.196 ( 0.000 -2.672 0.000) 2.672 20.346 ( 0.000 -1.711 0.000) 1.711 20.379 ( 0.000 -1.689 0.000) 1.689 20.993 ( 0.000 21.356 0.000) 21.356 21.071 ( 0.000 6.144 0.000) 6.144 21.464 ( 0.000 -11.758 0.000) 11.758 21.936 ( 0.000 2.261 0.000) 2.261 21.978 ( 0.000 8.550 0.000) 8.550 21.992 ( 0.000 -17.555 0.000) 17.555 22.114 ( 0.000 3.301 0.000) 3.301 22.686 ( 0.000 -17.812 0.000) 17.812 22.846 ( 0.000 -1.440 0.000) 1.440 22.907 ( 0.000 -8.548 0.000) 8.548 23.427 ( 0.000 17.099 0.000) 17.099 23.811 ( 0.000 2.050 0.000) 2.050 23.881 ( 0.000 -4.740 0.000) 4.740 24.006 ( 0.000 -4.916 0.000) 4.916 24.309 ( 0.000 25.671 0.000) 25.671 24.693 ( 0.000 2.358 0.000) 2.358 24.694 ( 0.000 3.341 0.000) 3.341 24.865 ( 0.000 -1.668 0.000) 1.668 24.882 ( 0.000 -5.270 0.000) 5.270 25.129 ( 0.000 3.152 0.000) 3.152 25.273 ( 0.000 -2.751 0.000) 2.751 25.278 ( 0.000 -14.813 0.000) 14.813 25.997 ( 0.000 1.560 0.000) 1.560 26.071 ( 0.000 -1.348 0.000) 1.348 26.953 ( 0.000 0.085 0.000) 0.085 26.958 ( 0.000 -0.109 0.000) 0.109 26.962 ( 0.000 9.348 0.000) 9.348 27.318 ( 0.000 -5.216 0.000) 5.216 27.489 ( 0.000 0.727 0.000) 0.727 27.527 ( 0.000 -0.767 0.000) 0.767 27.637 ( 0.000 0.730 0.000) 0.730 27.705 ( 0.000 -2.391 0.000) 2.391 28.414 ( 0.000 16.837 0.000) 16.837 29.426 ( 0.000 -23.389 0.000) 23.389 34.879 ( 0.000 2.279 0.000) 2.279 35.018 ( 0.000 -3.872 0.000) 3.872 35.345 ( 0.000 0.825 0.000) 0.825 35.389 ( 0.000 -0.876 0.000) 0.876 35.403 ( 0.000 1.497 0.000) 1.497 35.422 ( 0.000 2.583 0.000) 2.583 35.668 ( 0.000 0.568 0.000) 0.568 35.695 ( 0.000 -0.488 0.000) 0.488 36.001 ( 0.000 6.412 0.000) 6.412 36.367 ( 0.000 -8.029 0.000) 8.029 36.735 ( 0.000 13.738 0.000) 13.738 36.930 ( 0.000 9.708 0.000) 9.708 36.964 ( 0.000 -2.805 0.000) 2.805 37.959 ( 0.000 -23.596 0.000) 23.596 38.701 ( 0.000 7.705 0.000) 7.705 39.076 ( 0.000 -7.427 0.000) 7.427 39.543 ( 0.000 5.059 0.000) 5.059 39.614 ( 0.000 1.066 0.000) 1.066 39.805 ( 0.000 3.951 0.000) 3.951 39.964 ( 0.000 -2.564 0.000) 2.564 ======================= Grid point 6 (5/54) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 26.644 32.020 0.000) 41.656 1.378 ( 32.697 31.316 0.000) 45.274 2.124 ( 32.741 40.076 0.000) 51.750 2.289 ( 4.662 -2.015 0.000) 5.079 2.354 ( 1.357 -0.634 0.000) 1.498 2.537 ( 0.035 -3.571 0.000) 3.572 2.583 ( -3.958 -0.462 0.000) 3.985 2.620 ( 5.565 -13.428 0.000) 14.536 2.631 ( 0.609 -0.845 0.000) 1.041 2.673 ( -3.210 0.140 0.000) 3.213 2.777 ( -3.100 -3.778 0.000) 4.887 2.912 ( -3.875 -5.853 0.000) 7.019 3.131 ( 1.903 2.267 0.000) 2.960 3.261 ( 21.103 -2.286 0.000) 21.227 3.398 ( 8.931 -14.228 0.000) 16.798 3.414 ( -0.701 3.715 0.000) 3.780 3.637 ( 21.513 -2.927 0.000) 21.711 4.016 ( -3.075 12.744 0.000) 13.109 4.124 ( -13.466 -4.697 0.000) 14.262 4.246 ( 19.076 -11.015 0.000) 22.028 4.495 ( -15.203 -8.959 0.000) 17.646 5.196 ( -0.483 7.425 0.000) 7.440 5.216 ( 5.306 9.712 0.000) 11.067 5.309 ( -4.403 -38.160 0.000) 38.414 5.454 ( -5.386 0.298 0.000) 5.395 5.686 ( -6.467 -9.293 0.000) 11.322 5.876 ( 13.437 23.451 0.000) 27.028 5.968 ( 11.226 2.460 0.000) 11.493 6.083 ( -5.007 -4.678 0.000) 6.853 6.801 ( -3.550 23.617 0.000) 23.882 7.083 ( 28.500 13.514 0.000) 31.542 7.178 ( -29.302 9.342 0.000) 30.755 7.501 ( 19.765 -4.021 0.000) 20.170 7.715 ( -32.701 -11.562 0.000) 34.684 7.939 ( -14.493 24.213 0.000) 28.219 8.149 ( -19.173 -9.675 0.000) 21.476 8.692 ( -19.321 -17.894 0.000) 26.334 8.906 ( 1.173 -10.525 0.000) 10.590 9.110 ( -10.909 3.827 0.000) 11.561 9.173 ( 6.732 0.366 0.000) 6.742 9.183 ( 2.733 -5.561 0.000) 6.196 9.356 ( -26.689 1.997 0.000) 26.763 9.653 ( -6.715 -12.963 0.000) 14.599 9.825 ( 11.740 -3.061 0.000) 12.133 9.835 ( 1.402 -38.011 0.000) 38.037 10.048 ( 19.395 -10.731 0.000) 22.165 10.485 ( -5.389 13.714 0.000) 14.735 10.535 ( 3.236 18.691 0.000) 18.969 10.937 ( -4.087 -0.369 0.000) 4.104 11.072 ( -7.236 3.118 0.000) 7.879 11.154 ( -3.583 -0.325 0.000) 3.598 11.190 ( 4.876 0.730 0.000) 4.930 11.547 ( 9.387 27.947 0.000) 29.482 11.586 ( 4.246 -1.356 0.000) 4.457 11.895 ( 17.163 -4.203 0.000) 17.671 12.011 ( -1.248 27.257 0.000) 27.285 12.250 ( 9.414 9.309 0.000) 13.239 12.260 ( 2.473 9.723 0.000) 10.033 12.535 ( 7.379 3.824 0.000) 8.311 12.716 ( -9.132 -16.926 0.000) 19.232 12.909 ( -2.747 8.357 0.000) 8.797 12.953 ( 4.494 -21.460 0.000) 21.925 13.157 ( -7.426 -3.736 0.000) 8.313 13.281 ( -5.918 -2.703 0.000) 6.506 13.332 ( -6.078 -4.818 0.000) 7.756 13.508 ( -2.623 -8.173 0.000) 8.584 13.722 ( -1.408 -11.074 0.000) 11.163 13.728 ( -1.091 -11.499 0.000) 11.551 13.874 ( 3.038 0.083 0.000) 3.039 13.986 ( 2.244 10.812 0.000) 11.043 14.069 ( 9.380 -2.994 0.000) 9.847 14.290 ( 7.639 -1.699 0.000) 7.826 14.301 ( -0.848 -0.897 0.000) 1.235 14.432 ( 5.691 -6.178 0.000) 8.400 14.619 ( 7.139 4.266 0.000) 8.317 14.771 ( -2.627 3.733 0.000) 4.565 14.894 ( -1.548 11.788 0.000) 11.889 15.419 ( 1.020 21.859 0.000) 21.882 15.688 ( 15.780 -24.359 0.000) 29.024 16.097 ( -19.040 13.888 0.000) 23.567 16.486 ( -7.558 14.379 0.000) 16.244 16.601 ( 2.859 -13.997 0.000) 14.286 16.934 ( -3.105 -5.040 0.000) 5.920 17.065 ( -4.736 -6.401 0.000) 7.962 18.103 ( 16.248 -0.604 0.000) 16.260 18.126 ( 15.723 -0.824 0.000) 15.745 18.943 ( -6.502 5.101 0.000) 8.264 19.212 ( -6.042 -9.369 0.000) 11.148 20.388 ( 3.669 -2.091 0.000) 4.223 20.393 ( 2.302 -1.582 0.000) 2.794 20.864 ( -14.467 3.612 0.000) 14.911 21.044 ( 5.098 20.837 0.000) 21.452 21.222 ( -18.677 -12.074 0.000) 22.240 21.773 ( -14.166 13.324 0.000) 19.448 22.009 ( 1.588 -16.572 0.000) 16.648 22.045 ( 3.847 1.672 0.000) 4.195 22.316 ( 12.487 -0.265 0.000) 12.490 22.705 ( 3.287 -16.431 0.000) 16.757 22.808 ( -3.602 -1.557 0.000) 3.924 22.896 ( -1.287 -8.658 0.000) 8.753 23.469 ( 4.023 15.531 0.000) 16.043 23.788 ( -2.496 3.140 0.000) 4.011 23.883 ( 0.148 -4.781 0.000) 4.784 23.963 ( -3.279 -2.434 0.000) 4.084 24.358 ( 4.071 21.092 0.000) 21.481 24.635 ( -4.196 4.334 0.000) 6.032 24.725 ( 3.091 3.390 0.000) 4.587 24.884 ( 1.791 -1.831 0.000) 2.562 24.900 ( 1.076 -5.907 0.000) 6.004 25.083 ( -4.225 3.819 0.000) 5.695 25.277 ( 0.424 -4.330 0.000) 4.351 25.278 ( -0.020 -14.065 0.000) 14.065 26.247 ( 22.459 3.250 0.000) 22.693 26.491 ( 17.663 -8.981 0.000) 19.815 26.932 ( 0.633 2.908 0.000) 2.976 26.942 ( -2.201 8.549 0.000) 8.828 27.035 ( 9.895 -2.422 0.000) 10.187 27.251 ( -6.312 -4.257 0.000) 7.614 27.484 ( 13.086 10.307 0.000) 16.658 27.571 ( -6.467 1.752 0.000) 6.700 27.706 ( -0.834 -4.687 0.000) 4.761 28.287 ( -11.762 18.582 0.000) 21.991 28.451 ( 46.028 -56.568 0.000) 72.928 29.378 ( -4.584 -25.684 0.000) 26.090 34.921 ( 4.074 2.436 0.000) 4.747 35.044 ( 2.429 -2.861 0.000) 3.753 35.316 ( -3.324 0.783 0.000) 3.415 35.340 ( -5.365 0.878 0.000) 5.437 35.409 ( 0.606 1.637 0.000) 1.746 35.428 ( 0.622 2.836 0.000) 2.904 35.535 ( -6.744 6.805 0.000) 9.581 35.592 ( -7.448 3.583 0.000) 8.265 36.167 ( 12.583 3.952 0.000) 13.188 36.422 ( 3.944 -5.316 0.000) 6.620 36.673 ( -4.832 11.325 0.000) 12.313 36.829 ( -6.401 1.314 0.000) 6.535 37.101 ( 8.698 7.733 0.000) 11.638 38.029 ( 6.766 -22.360 0.000) 23.362 38.134 ( -42.198 41.499 0.000) 59.185 38.737 ( -10.904 0.321 0.000) 10.909 39.556 ( 1.410 4.211 0.000) 4.440 39.608 ( -0.422 1.214 0.000) 1.285 39.724 ( -4.470 1.525 0.000) 4.723 39.883 ( -7.685 -5.104 0.000) 9.225 ======================= Grid point 7 (6/54) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.956 ( 30.517 9.700 0.000) 32.022 2.036 ( 28.261 15.269 0.000) 32.122 2.330 ( 3.012 5.759 0.000) 6.499 2.375 ( -0.045 2.239 0.000) 2.240 2.438 ( -10.689 2.694 0.000) 11.023 2.442 ( -12.753 -3.610 0.000) 13.255 2.499 ( 3.023 -6.488 0.000) 7.157 2.579 ( -7.050 -5.753 0.000) 9.099 2.691 ( 1.853 -2.852 0.000) 3.401 2.695 ( 3.280 3.416 0.000) 4.736 2.772 ( 4.187 -7.269 0.000) 8.389 2.848 ( -3.031 -4.447 0.000) 5.381 3.207 ( 5.765 5.861 0.000) 8.221 3.305 ( -4.171 12.219 0.000) 12.912 3.502 ( -3.592 5.562 0.000) 6.621 3.570 ( -7.658 9.682 0.000) 12.344 3.923 ( 5.689 -8.388 0.000) 10.136 4.028 ( 6.302 -6.562 0.000) 9.098 4.159 ( 18.785 0.930 0.000) 18.808 4.335 ( -4.985 -16.670 0.000) 17.400 4.624 ( 26.159 -13.438 0.000) 29.409 5.105 ( -10.577 2.361 0.000) 10.837 5.239 ( 0.530 -17.870 0.000) 17.878 5.331 ( -7.154 -7.926 0.000) 10.677 5.566 ( 20.746 2.190 0.000) 20.861 5.879 ( 32.354 1.636 0.000) 32.395 5.966 ( -9.481 29.279 0.000) 30.775 6.032 ( 6.380 12.001 0.000) 13.592 6.361 ( 23.710 1.719 0.000) 23.772 6.397 ( -34.070 12.121 0.000) 36.162 6.630 ( -25.301 13.136 0.000) 28.508 6.951 ( -38.758 -8.230 0.000) 39.622 7.620 ( -5.197 10.908 0.000) 12.082 7.672 ( -15.812 1.274 0.000) 15.863 7.776 ( 33.271 6.124 0.000) 33.830 8.002 ( 23.704 3.849 0.000) 24.015 8.344 ( -20.015 -11.517 0.000) 23.092 8.625 ( -36.309 2.328 0.000) 36.384 8.786 ( -6.605 -22.478 0.000) 23.428 8.803 ( -11.050 -12.947 0.000) 17.021 9.353 ( 7.143 0.282 0.000) 7.149 9.368 ( 5.190 7.131 0.000) 8.820 9.739 ( 7.917 -19.701 0.000) 21.232 9.838 ( -1.729 -29.398 0.000) 29.448 10.108 ( 13.636 -5.860 0.000) 14.842 10.333 ( -9.438 5.527 0.000) 10.937 10.409 ( 17.503 -7.739 0.000) 19.138 10.666 ( 9.359 12.259 0.000) 15.423 10.761 ( -14.845 -3.777 0.000) 15.317 10.866 ( -10.285 8.884 0.000) 13.590 11.090 ( -1.747 -3.059 0.000) 3.522 11.128 ( -5.371 -7.451 0.000) 9.185 11.767 ( 9.338 17.846 0.000) 20.141 11.784 ( 12.002 20.552 0.000) 23.800 11.952 ( -3.404 21.788 0.000) 22.053 12.067 ( -6.833 6.310 0.000) 9.301 12.337 ( 9.737 1.764 0.000) 9.896 12.433 ( 4.927 0.708 0.000) 4.977 12.596 ( -0.638 0.758 0.000) 0.990 12.670 ( 0.818 9.313 0.000) 9.349 12.871 ( 1.227 11.535 0.000) 11.600 12.979 ( -3.720 -6.084 0.000) 7.131 13.094 ( 1.472 -13.077 0.000) 13.159 13.149 ( -5.256 -2.327 0.000) 5.748 13.302 ( 4.297 -7.717 0.000) 8.833 13.445 ( -6.081 -13.183 0.000) 14.517 13.707 ( 1.323 -24.997 0.000) 25.032 13.710 ( 0.634 -12.642 0.000) 12.658 13.876 ( -2.203 -2.163 0.000) 3.087 13.903 ( -6.206 12.154 0.000) 13.647 14.235 ( 5.879 -6.677 0.000) 8.896 14.302 ( -0.936 -5.133 0.000) 5.217 14.463 ( 9.032 3.633 0.000) 9.736 14.604 ( 9.430 -2.235 0.000) 9.691 14.623 ( -6.109 7.932 0.000) 10.012 14.742 ( -3.256 -0.294 0.000) 3.269 15.058 ( 16.783 18.242 0.000) 24.788 15.374 ( -9.247 15.321 0.000) 17.896 15.760 ( -3.372 7.463 0.000) 8.189 15.767 ( -8.885 20.573 0.000) 22.410 16.494 ( 5.597 -7.694 0.000) 9.514 16.597 ( -3.227 -13.147 0.000) 13.538 16.897 ( 0.440 -7.434 0.000) 7.447 16.957 ( -4.953 -8.100 0.000) 9.495 18.480 ( 17.985 -0.637 0.000) 17.996 18.511 ( 21.800 -2.083 0.000) 21.900 18.774 ( -11.093 1.848 0.000) 11.246 18.944 ( -19.127 -5.860 0.000) 20.004 20.449 ( 4.684 0.032 0.000) 4.684 20.546 ( 11.279 -5.082 0.000) 12.371 20.599 ( -10.594 1.665 0.000) 10.724 20.842 ( -17.626 -9.391 0.000) 19.971 21.201 ( 10.486 19.383 0.000) 22.038 21.462 ( -15.026 17.105 0.000) 22.767 22.048 ( 2.092 -13.048 0.000) 13.215 22.078 ( -0.388 -6.209 0.000) 6.221 22.540 ( 9.660 -0.268 0.000) 9.663 22.705 ( -6.627 -1.087 0.000) 6.715 22.784 ( 3.894 -13.540 0.000) 14.089 22.853 ( -2.871 -10.204 0.000) 10.600 23.577 ( 6.312 11.465 0.000) 13.088 23.704 ( -5.696 6.995 0.000) 9.021 23.889 ( 0.523 -4.219 0.000) 4.251 23.910 ( -1.704 -2.739 0.000) 3.226 24.449 ( 4.700 14.975 0.000) 15.695 24.544 ( -4.687 9.281 0.000) 10.397 24.811 ( 5.021 2.640 0.000) 5.673 24.897 ( -2.277 -3.253 0.000) 3.971 24.929 ( 2.454 -1.771 0.000) 3.026 24.989 ( -4.115 2.456 0.000) 4.792 25.279 ( 0.091 -11.684 0.000) 11.685 25.281 ( -0.062 -7.919 0.000) 7.919 26.684 ( 13.094 2.083 0.000) 13.259 26.794 ( 17.941 -2.613 0.000) 18.130 26.860 ( -6.114 5.866 0.000) 8.473 27.062 ( 13.233 8.707 0.000) 15.840 27.077 ( -10.686 -3.820 0.000) 11.348 27.300 ( 14.826 -2.277 0.000) 15.000 27.375 ( -13.347 5.428 0.000) 14.409 27.595 ( -11.875 -5.236 0.000) 12.978 27.775 ( 13.318 11.579 0.000) 17.648 28.017 ( -12.515 18.393 0.000) 22.246 29.034 ( 15.842 -47.833 0.000) 50.388 29.251 ( -7.862 -33.194 0.000) 34.112 35.037 ( 7.114 2.852 0.000) 7.665 35.112 ( 4.288 -0.285 0.000) 4.297 35.191 ( -7.733 3.721 0.000) 8.582 35.217 ( -6.077 1.498 0.000) 6.259 35.427 ( 1.179 2.169 0.000) 2.469 35.447 ( 1.248 3.578 0.000) 3.789 35.459 ( -2.068 3.935 0.000) 4.446 35.485 ( -3.006 4.385 0.000) 5.316 36.431 ( 12.813 1.852 0.000) 12.946 36.498 ( 3.650 1.504 0.000) 3.948 36.577 ( -4.396 7.088 0.000) 8.340 36.665 ( -9.970 0.743 0.000) 9.997 37.295 ( 10.703 14.081 0.000) 17.687 37.563 ( -17.652 26.826 0.000) 32.113 38.222 ( 11.990 -18.566 0.000) 22.101 38.490 ( -13.678 -10.653 0.000) 17.337 39.597 ( 1.674 1.469 0.000) 2.227 39.618 ( 2.903 1.437 0.000) 3.239 39.641 ( -3.329 1.043 0.000) 3.489 39.724 ( -7.014 -2.607 0.000) 7.483 ======================= Grid point 10 (7/54) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( 0.000 -39.183 0.000) 39.183 1.855 ( 0.000 39.183 0.000) 39.183 1.867 ( 0.000 -35.298 0.000) 35.298 1.867 ( 0.000 35.298 0.000) 35.298 2.459 ( 0.000 -4.895 0.000) 4.895 2.459 ( 0.000 4.895 0.000) 4.895 2.583 ( 0.000 -5.323 0.000) 5.323 2.583 ( 0.000 5.323 0.000) 5.323 2.738 ( 0.000 -23.699 0.000) 23.699 2.738 ( 0.000 23.699 0.000) 23.699 2.755 ( 0.000 -2.641 0.000) 2.641 2.755 ( 0.000 2.641 0.000) 2.641 2.989 ( 0.000 -1.260 0.000) 1.260 2.989 ( 0.000 1.260 0.000) 1.260 3.158 ( 0.000 -3.353 0.000) 3.353 3.158 ( 0.000 3.353 0.000) 3.353 3.842 ( 0.000 -15.037 0.000) 15.037 3.842 ( 0.000 15.037 0.000) 15.037 4.330 ( 0.000 -16.069 0.000) 16.069 4.330 ( 0.000 16.069 0.000) 16.069 4.476 ( 0.000 -36.914 0.000) 36.914 4.476 ( 0.000 36.914 0.000) 36.914 5.399 ( 0.000 -7.471 0.000) 7.471 5.399 ( 0.000 7.471 0.000) 7.471 5.478 ( 0.000 -15.996 0.000) 15.996 5.478 ( 0.000 15.996 0.000) 15.996 5.978 ( 0.000 -0.154 0.000) 0.154 5.978 ( 0.000 0.154 0.000) 0.154 6.534 ( 0.000 -41.061 0.000) 41.061 6.534 ( 0.000 41.061 0.000) 41.061 7.075 ( 0.000 -11.232 0.000) 11.232 7.075 ( 0.000 11.232 0.000) 11.232 7.866 ( 0.000 -16.585 0.000) 16.585 7.866 ( 0.000 16.585 0.000) 16.585 8.420 ( 0.000 -27.741 0.000) 27.741 8.420 ( 0.000 27.741 0.000) 27.741 8.758 ( 0.000 -19.047 0.000) 19.047 8.758 ( 0.000 19.047 0.000) 19.047 9.080 ( 0.000 -11.574 0.000) 11.574 9.080 ( 0.000 11.574 0.000) 11.574 9.090 ( 0.000 -2.611 0.000) 2.611 9.090 ( 0.000 2.611 0.000) 2.611 9.675 ( 0.000 -1.611 0.000) 1.611 9.675 ( 0.000 1.611 0.000) 1.611 9.788 ( 0.000 -4.481 0.000) 4.481 9.788 ( 0.000 4.481 0.000) 4.481 10.826 ( 0.000 -10.753 0.000) 10.753 10.826 ( 0.000 10.753 0.000) 10.753 10.973 ( 0.000 -16.026 0.000) 16.026 10.973 ( 0.000 16.026 0.000) 16.026 11.170 ( 0.000 -1.339 0.000) 1.339 11.170 ( 0.000 1.339 0.000) 1.339 11.512 ( 0.000 -2.028 0.000) 2.028 11.512 ( 0.000 2.028 0.000) 2.028 12.221 ( 0.000 -29.778 0.000) 29.778 12.221 ( 0.000 29.778 0.000) 29.778 12.370 ( 0.000 -6.532 0.000) 6.532 12.370 ( 0.000 6.532 0.000) 6.532 12.371 ( 0.000 -0.398 0.000) 0.398 12.371 ( 0.000 0.398 0.000) 0.398 12.845 ( 0.000 -27.835 0.000) 27.835 12.845 ( 0.000 27.835 0.000) 27.835 13.177 ( 0.000 -12.904 0.000) 12.904 13.177 ( 0.000 12.904 0.000) 12.904 13.444 ( 0.000 -13.259 0.000) 13.259 13.444 ( 0.000 13.259 0.000) 13.259 13.646 ( 0.000 -3.025 0.000) 3.025 13.646 ( 0.000 3.025 0.000) 3.025 13.896 ( 0.000 -3.781 0.000) 3.781 13.896 ( 0.000 3.781 0.000) 3.781 14.205 ( 0.000 -11.992 0.000) 11.992 14.205 ( 0.000 11.992 0.000) 11.992 14.240 ( 0.000 -4.207 0.000) 4.207 14.240 ( 0.000 4.207 0.000) 4.207 14.644 ( 0.000 -9.287 0.000) 9.287 14.644 ( 0.000 9.287 0.000) 9.287 15.058 ( 0.000 -0.026 0.000) 0.026 15.058 ( 0.000 0.026 0.000) 0.026 15.967 ( 0.000 -28.940 0.000) 28.940 15.967 ( 0.000 28.940 0.000) 28.940 16.763 ( 0.000 -16.570 0.000) 16.570 16.763 ( 0.000 16.570 0.000) 16.570 16.952 ( 0.000 -11.415 0.000) 11.415 16.952 ( 0.000 11.415 0.000) 11.415 17.930 ( 0.000 -1.122 0.000) 1.122 17.930 ( 0.000 1.122 0.000) 1.122 19.127 ( 0.000 -3.786 0.000) 3.786 19.127 ( 0.000 3.786 0.000) 3.786 20.344 ( 0.000 -1.255 0.000) 1.255 20.344 ( 0.000 1.255 0.000) 1.255 21.240 ( 0.000 -10.122 0.000) 10.122 21.240 ( 0.000 10.122 0.000) 10.122 21.508 ( 0.000 -27.389 0.000) 27.389 21.508 ( 0.000 27.389 0.000) 27.389 21.991 ( 0.000 -2.756 0.000) 2.756 21.991 ( 0.000 2.756 0.000) 2.756 22.346 ( 0.000 -15.561 0.000) 15.561 22.346 ( 0.000 15.561 0.000) 15.561 22.826 ( 0.000 -0.363 0.000) 0.363 22.826 ( 0.000 0.363 0.000) 0.363 23.721 ( 0.000 -11.409 0.000) 11.409 23.721 ( 0.000 11.409 0.000) 11.409 23.894 ( 0.000 -5.472 0.000) 5.472 23.894 ( 0.000 5.472 0.000) 5.472 24.733 ( 0.000 -4.989 0.000) 4.989 24.733 ( 0.000 4.989 0.000) 4.989 24.769 ( 0.000 -5.137 0.000) 5.137 24.769 ( 0.000 5.137 0.000) 5.137 24.908 ( 0.000 -15.742 0.000) 15.742 24.908 ( 0.000 15.742 0.000) 15.742 25.203 ( 0.000 -3.879 0.000) 3.879 25.203 ( 0.000 3.879 0.000) 3.879 26.036 ( 0.000 -2.020 0.000) 2.020 26.036 ( 0.000 2.020 0.000) 2.020 26.955 ( 0.000 -0.136 0.000) 0.136 26.955 ( 0.000 0.136 0.000) 0.136 27.166 ( 0.000 -9.541 0.000) 9.541 27.166 ( 0.000 9.541 0.000) 9.541 27.508 ( 0.000 -1.051 0.000) 1.051 27.508 ( 0.000 1.051 0.000) 1.051 27.661 ( 0.000 -1.716 0.000) 1.716 27.661 ( 0.000 1.716 0.000) 1.716 28.878 ( 0.000 -27.575 0.000) 27.575 28.878 ( 0.000 27.575 0.000) 27.575 34.941 ( 0.000 -3.612 0.000) 3.612 34.941 ( 0.000 3.612 0.000) 3.612 35.367 ( 0.000 -1.188 0.000) 1.188 35.367 ( 0.000 1.188 0.000) 1.188 35.434 ( 0.000 -1.063 0.000) 1.063 35.434 ( 0.000 1.063 0.000) 1.063 35.682 ( 0.000 -0.734 0.000) 0.734 35.682 ( 0.000 0.734 0.000) 0.734 36.174 ( 0.000 -9.992 0.000) 9.992 36.174 ( 0.000 9.992 0.000) 9.992 36.891 ( 0.000 -4.359 0.000) 4.359 36.891 ( 0.000 4.359 0.000) 4.359 37.389 ( 0.000 -29.939 0.000) 29.939 37.389 ( 0.000 29.939 0.000) 29.939 38.891 ( 0.000 -10.139 0.000) 10.139 38.891 ( 0.000 10.139 0.000) 10.139 39.615 ( 0.000 -1.560 0.000) 1.560 39.615 ( 0.000 1.560 0.000) 1.560 39.893 ( 0.000 -4.267 0.000) 4.267 39.893 ( 0.000 4.267 0.000) 4.267 ======================= Grid point 12 (8/54) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.998 ( 10.008 -27.055 0.000) 28.847 1.998 ( 10.008 27.055 0.000) 28.847 2.044 ( 15.799 -30.567 0.000) 34.409 2.044 ( 15.799 30.567 0.000) 34.409 2.480 ( 2.060 -3.944 0.000) 4.450 2.480 ( 2.060 3.944 0.000) 4.450 2.544 ( -2.958 -4.345 0.000) 5.256 2.544 ( -2.958 4.345 0.000) 5.256 2.700 ( -5.093 -2.857 0.000) 5.840 2.700 ( -5.093 2.857 0.000) 5.840 2.768 ( 1.063 -9.367 0.000) 9.427 2.768 ( 1.063 9.367 0.000) 9.427 3.209 ( 5.559 -5.806 0.000) 8.038 3.209 ( 5.559 5.806 0.000) 8.038 3.312 ( 25.574 -6.812 0.000) 26.466 3.312 ( 25.574 6.812 0.000) 26.466 3.963 ( 10.204 -20.720 0.000) 23.097 3.963 ( 10.204 20.720 0.000) 23.097 4.198 ( -11.063 -12.577 0.000) 16.750 4.198 ( -11.063 12.577 0.000) 16.750 4.451 ( 0.921 -36.643 0.000) 36.654 4.451 ( 0.921 36.643 0.000) 36.654 5.352 ( -4.834 -6.535 0.000) 8.129 5.352 ( -4.834 6.535 0.000) 8.129 5.444 ( -0.334 -12.729 0.000) 12.733 5.444 ( -0.334 12.729 0.000) 12.733 6.013 ( 7.004 -2.467 0.000) 7.426 6.013 ( 7.004 2.467 0.000) 7.426 6.612 ( 4.916 -35.122 0.000) 35.464 6.612 ( 4.916 35.122 0.000) 35.464 7.351 ( 23.316 -11.071 0.000) 25.811 7.351 ( 23.316 11.071 0.000) 25.811 7.498 ( -31.256 -16.315 0.000) 35.258 7.498 ( -31.256 16.315 0.000) 35.258 8.238 ( -18.862 -21.608 0.000) 28.683 8.238 ( -18.862 21.608 0.000) 28.683 8.527 ( -16.415 -28.610 0.000) 32.985 8.527 ( -16.415 28.610 0.000) 32.985 9.162 ( -1.764 -1.443 0.000) 2.278 9.162 ( -1.764 1.443 0.000) 2.278 9.238 ( 10.055 -16.089 0.000) 18.972 9.238 ( 10.055 16.089 0.000) 18.972 9.438 ( -15.908 -7.010 0.000) 17.384 9.438 ( -15.908 7.010 0.000) 17.384 9.863 ( 12.266 -6.401 0.000) 13.836 9.863 ( 12.266 6.401 0.000) 13.836 10.782 ( -5.409 -12.931 0.000) 14.016 10.782 ( -5.409 12.931 0.000) 14.016 10.931 ( -2.938 -19.172 0.000) 19.396 10.931 ( -2.938 19.172 0.000) 19.396 11.123 ( -4.703 -2.122 0.000) 5.159 11.123 ( -4.703 2.122 0.000) 5.159 11.756 ( 18.098 -9.915 0.000) 20.636 11.756 ( 18.098 9.915 0.000) 20.636 12.151 ( -3.287 -24.889 0.000) 25.105 12.151 ( -3.287 24.889 0.000) 25.105 12.467 ( 6.036 -21.832 0.000) 22.651 12.467 ( 6.036 21.832 0.000) 22.651 12.475 ( 8.457 -9.943 0.000) 13.054 12.475 ( 8.457 9.943 0.000) 13.054 12.866 ( 3.136 -28.068 0.000) 28.242 12.866 ( 3.136 28.068 0.000) 28.242 13.050 ( -7.994 -5.289 0.000) 9.585 13.050 ( -7.994 5.289 0.000) 9.585 13.426 ( -3.491 -13.568 0.000) 14.010 13.426 ( -3.491 13.568 0.000) 14.010 13.555 ( -7.992 -6.348 0.000) 10.207 13.555 ( -7.992 6.348 0.000) 10.207 13.961 ( 4.435 -6.375 0.000) 7.766 13.961 ( 4.435 6.375 0.000) 7.766 14.209 ( -1.426 -8.469 0.000) 8.588 14.209 ( -1.426 8.469 0.000) 8.588 14.322 ( 8.421 -3.932 0.000) 9.293 14.322 ( 8.421 3.932 0.000) 9.293 14.738 ( 4.116 -5.473 0.000) 6.848 14.738 ( 4.116 5.473 0.000) 6.848 15.180 ( 13.229 -19.625 0.000) 23.668 15.180 ( 13.229 19.625 0.000) 23.668 15.923 ( -4.537 -24.678 0.000) 25.091 15.923 ( -4.537 24.678 0.000) 25.091 16.702 ( -4.664 -16.121 0.000) 16.782 16.702 ( -4.664 16.121 0.000) 16.782 16.845 ( -8.754 -15.551 0.000) 17.846 16.845 ( -8.754 15.551 0.000) 17.846 18.106 ( 15.645 -0.835 0.000) 15.667 18.106 ( 15.645 0.835 0.000) 15.667 19.058 ( -7.041 -6.352 0.000) 9.483 19.058 ( -7.041 6.352 0.000) 9.483 20.370 ( 2.762 -0.441 0.000) 2.797 20.370 ( 2.762 0.441 0.000) 2.797 20.997 ( -17.588 -9.319 0.000) 19.904 20.997 ( -17.588 9.319 0.000) 19.904 21.545 ( 3.651 -26.507 0.000) 26.758 21.545 ( 3.651 26.507 0.000) 26.758 21.997 ( -4.505 -7.248 0.000) 8.534 21.997 ( -4.505 7.248 0.000) 8.534 22.416 ( 7.671 -10.805 0.000) 13.251 22.416 ( 7.671 10.805 0.000) 13.251 22.800 ( -2.597 -1.612 0.000) 3.056 22.800 ( -2.597 1.612 0.000) 3.056 23.732 ( 1.191 -10.313 0.000) 10.381 23.732 ( 1.191 10.313 0.000) 10.381 23.875 ( -1.853 -5.014 0.000) 5.345 23.875 ( -1.853 5.014 0.000) 5.345 24.738 ( 0.486 -8.241 0.000) 8.256 24.738 ( 0.486 8.241 0.000) 8.256 24.759 ( -0.446 -7.331 0.000) 7.344 24.759 ( -0.446 7.331 0.000) 7.344 24.936 ( 2.738 -14.379 0.000) 14.637 24.936 ( 2.738 14.379 0.000) 14.637 25.176 ( -2.578 -5.186 0.000) 5.792 25.176 ( -2.578 5.186 0.000) 5.792 26.339 ( 23.023 -5.937 0.000) 23.776 26.339 ( 23.023 5.937 0.000) 23.776 26.986 ( 5.761 -2.475 0.000) 6.271 26.986 ( 5.761 2.475 0.000) 6.271 27.123 ( -4.395 -8.252 0.000) 9.350 27.123 ( -4.395 8.252 0.000) 9.350 27.623 ( -3.903 -3.385 0.000) 5.166 27.623 ( -3.903 3.385 0.000) 5.166 27.771 ( 21.183 -19.581 0.000) 28.847 27.771 ( 21.183 19.581 0.000) 28.847 28.785 ( -8.865 -29.467 0.000) 30.771 28.785 ( -8.865 29.467 0.000) 30.771 34.981 ( 3.863 -3.215 0.000) 5.025 34.981 ( 3.863 3.215 0.000) 5.025 35.333 ( -3.516 -0.838 0.000) 3.615 35.333 ( -3.516 0.838 0.000) 3.615 35.443 ( 0.851 -1.122 0.000) 1.408 35.443 ( 0.851 1.122 0.000) 1.408 35.607 ( -5.462 -1.826 0.000) 5.759 35.607 ( -5.462 1.826 0.000) 5.759 36.283 ( 8.966 -7.141 0.000) 11.462 36.283 ( 8.966 7.141 0.000) 11.462 36.817 ( -6.358 -3.146 0.000) 7.093 36.817 ( -6.358 3.146 0.000) 7.093 37.491 ( 9.236 -27.624 0.000) 29.127 37.491 ( 9.236 27.624 0.000) 29.127 38.632 ( -23.005 -12.419 0.000) 26.144 38.632 ( -23.005 12.419 0.000) 26.144 39.615 ( 0.065 -1.107 0.000) 1.109 39.615 ( 0.065 1.107 0.000) 1.109 39.784 ( -7.273 -4.271 0.000) 8.435 39.784 ( -7.273 4.271 0.000) 8.435 ======================= Grid point 14 (9/54) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.218 ( 11.561 -14.088 0.000) 18.224 2.218 ( 11.561 14.088 0.000) 18.224 2.324 ( 8.323 -9.211 0.000) 12.415 2.324 ( 8.323 9.211 0.000) 12.415 2.464 ( -7.008 -4.767 0.000) 8.476 2.464 ( -7.008 4.767 0.000) 8.476 2.472 ( -4.137 -2.132 0.000) 4.654 2.472 ( -4.137 2.132 0.000) 4.654 2.653 ( 4.559 -1.072 0.000) 4.684 2.653 ( 4.559 1.072 0.000) 4.684 2.752 ( -3.006 -3.353 0.000) 4.503 2.752 ( -3.006 3.353 0.000) 4.503 3.406 ( 13.745 -11.782 0.000) 18.104 3.406 ( 13.745 11.782 0.000) 18.104 3.608 ( 0.397 -12.009 0.000) 12.016 3.608 ( 0.397 12.009 0.000) 12.016 3.985 ( -7.227 -9.637 0.000) 12.046 3.985 ( -7.227 9.637 0.000) 12.046 3.988 ( -7.456 -13.904 0.000) 15.777 3.988 ( -7.456 13.904 0.000) 15.777 4.806 ( 27.739 -21.338 0.000) 34.997 4.806 ( 27.739 21.338 0.000) 34.997 5.192 ( -11.741 -5.347 0.000) 12.901 5.192 ( -11.741 5.347 0.000) 12.901 5.703 ( 31.254 -11.057 0.000) 33.152 5.703 ( 31.254 11.057 0.000) 33.152 6.290 ( 18.963 -8.775 0.000) 20.895 6.290 ( 18.963 8.775 0.000) 20.895 6.508 ( -26.929 -16.115 0.000) 31.383 6.508 ( -26.929 16.115 0.000) 31.383 6.738 ( -33.489 -9.547 0.000) 34.823 6.738 ( -33.489 9.547 0.000) 34.823 7.848 ( 18.955 -5.395 0.000) 19.708 7.848 ( 18.955 5.395 0.000) 19.708 7.936 ( -4.874 -23.706 0.000) 24.202 7.936 ( -4.874 23.706 0.000) 24.202 8.260 ( -2.670 -25.919 0.000) 26.056 8.260 ( -2.670 25.919 0.000) 26.056 8.671 ( -31.145 -2.917 0.000) 31.281 8.671 ( -31.145 2.917 0.000) 31.281 9.410 ( 6.380 -10.450 0.000) 12.243 9.410 ( 6.380 10.450 0.000) 12.243 9.459 ( 2.429 -6.720 0.000) 7.146 9.459 ( 2.429 6.720 0.000) 7.146 10.191 ( 19.230 -10.961 0.000) 22.134 10.191 ( 19.230 10.961 0.000) 22.134 10.566 ( -15.962 -13.441 0.000) 20.867 10.566 ( -15.962 13.441 0.000) 20.867 10.915 ( 2.119 -12.041 0.000) 12.226 10.915 ( 2.119 12.041 0.000) 12.226 11.006 ( -6.034 -5.439 0.000) 8.124 11.006 ( -6.034 5.439 0.000) 8.124 12.054 ( 9.393 -6.962 0.000) 11.691 12.054 ( 9.393 6.962 0.000) 11.691 12.130 ( -0.042 -9.513 0.000) 9.513 12.130 ( -0.042 9.513 0.000) 9.513 12.539 ( 1.426 -20.928 0.000) 20.976 12.539 ( 1.426 20.928 0.000) 20.976 12.570 ( -0.794 -19.123 0.000) 19.140 12.570 ( -0.794 19.123 0.000) 19.140 13.001 ( 9.002 -22.297 0.000) 24.046 13.001 ( 9.002 22.297 0.000) 24.046 13.029 ( 6.401 -10.024 0.000) 11.893 13.029 ( 6.401 10.024 0.000) 11.893 13.299 ( -7.315 -18.257 0.000) 19.667 13.299 ( -7.315 18.257 0.000) 19.667 13.353 ( -10.980 -10.324 0.000) 15.071 13.353 ( -10.980 10.324 0.000) 15.071 14.046 ( 4.446 -10.872 0.000) 11.746 14.046 ( 4.446 10.872 0.000) 11.746 14.142 ( -4.630 -10.497 0.000) 11.472 14.142 ( -4.630 10.497 0.000) 11.472 14.537 ( 11.101 -3.565 0.000) 11.659 14.537 ( 11.101 3.565 0.000) 11.659 14.715 ( -5.667 -2.598 0.000) 6.235 14.715 ( -5.667 2.598 0.000) 6.235 15.507 ( 16.046 -24.082 0.000) 28.938 15.507 ( 16.046 24.082 0.000) 28.938 15.775 ( -10.321 -18.667 0.000) 21.330 15.775 ( -10.321 18.667 0.000) 21.330 16.635 ( -0.993 -15.460 0.000) 15.492 16.635 ( -0.993 15.460 0.000) 15.492 16.683 ( -5.823 -17.660 0.000) 18.595 16.683 ( -5.823 17.660 0.000) 18.595 18.478 ( 19.517 -0.791 0.000) 19.533 18.478 ( 19.517 0.791 0.000) 19.533 18.836 ( -14.935 -4.304 0.000) 15.543 18.836 ( -14.935 4.304 0.000) 15.543 20.468 ( 7.281 -2.278 0.000) 7.629 20.468 ( 7.281 2.278 0.000) 7.629 20.675 ( -13.363 -6.194 0.000) 14.728 20.675 ( -13.363 6.194 0.000) 14.728 21.656 ( 7.332 -23.453 0.000) 24.572 21.656 ( 7.332 23.453 0.000) 24.572 21.833 ( -9.658 -17.267 0.000) 19.784 21.833 ( -9.658 17.267 0.000) 19.784 22.587 ( 7.942 -5.652 0.000) 9.748 22.587 ( 7.942 5.652 0.000) 9.748 22.721 ( -5.286 -3.304 0.000) 6.233 22.721 ( -5.286 3.304 0.000) 6.233 23.770 ( 2.504 -7.595 0.000) 7.997 23.770 ( 2.504 7.595 0.000) 7.997 23.826 ( -2.802 -5.226 0.000) 5.930 23.826 ( -2.802 5.226 0.000) 5.930 24.749 ( 0.457 -10.669 0.000) 10.679 24.749 ( 0.457 10.669 0.000) 10.679 24.755 ( -0.168 -9.921 0.000) 9.923 24.755 ( -0.168 9.921 0.000) 9.923 25.012 ( 4.466 -11.406 0.000) 12.249 25.012 ( 4.466 11.406 0.000) 12.249 25.104 ( -4.351 -8.178 0.000) 9.264 25.104 ( -4.351 8.178 0.000) 9.264 26.737 ( 15.151 -2.914 0.000) 15.429 26.737 ( 15.151 2.914 0.000) 15.429 26.982 ( -9.617 -5.574 0.000) 11.115 26.982 ( -9.617 5.574 0.000) 11.115 27.220 ( 15.315 -5.911 0.000) 16.416 27.220 ( 15.315 5.911 0.000) 16.416 27.489 ( -9.952 -5.462 0.000) 11.352 27.489 ( -9.952 5.462 0.000) 11.352 28.199 ( 19.380 -31.532 0.000) 37.012 28.199 ( 19.380 31.532 0.000) 37.012 28.541 ( -14.773 -32.864 0.000) 36.032 28.541 ( -14.773 32.864 0.000) 36.032 35.088 ( 6.449 -2.016 0.000) 6.757 35.088 ( 6.449 2.016 0.000) 6.757 35.225 ( -6.688 -0.712 0.000) 6.726 35.225 ( -6.688 0.712 0.000) 6.726 35.469 ( 1.737 -1.309 0.000) 2.175 35.469 ( 1.737 1.309 0.000) 2.175 35.517 ( -3.229 -1.617 0.000) 3.612 35.517 ( -3.229 1.617 0.000) 3.612 36.479 ( 9.772 -2.449 0.000) 10.074 36.479 ( 9.772 2.449 0.000) 10.074 36.664 ( -8.500 -1.516 0.000) 8.634 36.664 ( -8.500 1.516 0.000) 8.634 37.741 ( 15.627 -26.570 0.000) 30.825 37.741 ( 15.627 26.570 0.000) 30.825 38.132 ( -23.286 -24.759 0.000) 33.988 38.132 ( -23.286 24.759 0.000) 33.988 39.625 ( 1.215 -0.828 0.000) 1.470 39.625 ( 1.215 0.828 0.000) 1.470 39.673 ( -3.716 -2.146 0.000) 4.291 39.673 ( -3.716 2.146 0.000) 4.291 ======================= Grid point 25 (10/54) ======================= q-point: ( 0.00 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 0.000 0.000 44.728) 44.728 0.974 ( 0.000 0.000 48.437) 48.437 1.580 ( 0.000 0.000 72.811) 72.811 2.252 ( 0.000 0.000 0.763) 0.763 2.321 ( 0.000 0.000 -1.806) 1.806 2.564 ( 0.000 0.000 0.652) 0.652 2.618 ( 0.000 0.000 -1.722) 1.722 2.663 ( 0.000 0.000 0.973) 0.973 2.700 ( 0.000 0.000 -0.753) 0.753 2.758 ( 0.000 0.000 1.428) 1.428 2.811 ( 0.000 0.000 -1.517) 1.517 2.986 ( 0.000 0.000 -4.300) 4.300 3.107 ( 0.000 0.000 4.744) 4.744 3.335 ( 0.000 0.000 -1.611) 1.611 3.370 ( 0.000 0.000 14.494) 14.494 3.733 ( 0.000 0.000 18.148) 18.148 4.001 ( 0.000 0.000 38.134) 38.134 4.271 ( 0.000 0.000 -6.363) 6.363 4.324 ( 0.000 0.000 43.683) 43.683 4.375 ( 0.000 0.000 30.834) 30.834 4.796 ( 0.000 0.000 4.901) 4.901 4.986 ( 0.000 0.000 -7.321) 7.321 5.086 ( 0.000 0.000 -11.133) 11.133 5.133 ( 0.000 0.000 10.095) 10.095 5.609 ( 0.000 0.000 -20.725) 20.725 5.782 ( 0.000 0.000 4.857) 4.857 5.855 ( 0.000 0.000 -13.916) 13.916 6.222 ( 0.000 0.000 6.260) 6.260 6.422 ( 0.000 0.000 7.422) 7.422 6.428 ( 0.000 0.000 17.922) 17.922 6.455 ( 0.000 0.000 5.274) 5.274 7.273 ( 0.000 0.000 -2.433) 2.433 7.542 ( 0.000 0.000 12.547) 12.547 7.730 ( 0.000 0.000 -9.399) 9.399 8.335 ( 0.000 0.000 -11.406) 11.406 8.451 ( 0.000 0.000 4.587) 4.587 8.741 ( 0.000 0.000 -7.946) 7.946 8.832 ( 0.000 0.000 1.900) 1.900 9.124 ( 0.000 0.000 -5.971) 5.971 9.357 ( 0.000 0.000 -10.194) 10.194 9.562 ( 0.000 0.000 -9.014) 9.014 9.569 ( 0.000 0.000 11.964) 11.964 9.624 ( 0.000 0.000 0.559) 0.559 9.722 ( 0.000 0.000 4.272) 4.272 10.008 ( 0.000 0.000 -2.384) 2.384 10.153 ( 0.000 0.000 -6.404) 6.404 10.272 ( 0.000 0.000 -13.808) 13.808 10.470 ( 0.000 0.000 5.303) 5.303 10.798 ( 0.000 0.000 0.568) 0.568 10.969 ( 0.000 0.000 5.279) 5.279 11.019 ( 0.000 0.000 -10.335) 10.335 11.186 ( 0.000 0.000 5.983) 5.983 11.336 ( 0.000 0.000 16.778) 16.778 11.611 ( 0.000 0.000 3.636) 3.636 11.727 ( 0.000 0.000 1.079) 1.079 11.821 ( 0.000 0.000 -1.733) 1.733 12.093 ( 0.000 0.000 1.722) 1.722 12.095 ( 0.000 0.000 0.365) 0.365 12.327 ( 0.000 0.000 -11.688) 11.688 12.809 ( 0.000 0.000 -4.527) 4.527 12.966 ( 0.000 0.000 -14.583) 14.583 13.084 ( 0.000 0.000 -2.795) 2.795 13.344 ( 0.000 0.000 7.417) 7.417 13.447 ( 0.000 0.000 -11.114) 11.114 13.468 ( 0.000 0.000 10.661) 10.661 13.516 ( 0.000 0.000 -9.272) 9.272 13.558 ( 0.000 0.000 -8.986) 8.986 13.708 ( 0.000 0.000 2.980) 2.980 13.782 ( 0.000 0.000 -3.765) 3.765 14.110 ( 0.000 0.000 -6.294) 6.294 14.126 ( 0.000 0.000 1.517) 1.517 14.246 ( 0.000 0.000 -7.468) 7.468 14.313 ( 0.000 0.000 4.744) 4.744 14.363 ( 0.000 0.000 -6.865) 6.865 14.664 ( 0.000 0.000 12.871) 12.871 14.686 ( 0.000 0.000 -18.086) 18.086 14.702 ( 0.000 0.000 -8.271) 8.271 15.027 ( 0.000 0.000 5.979) 5.979 15.561 ( 0.000 0.000 21.472) 21.472 16.283 ( 0.000 0.000 12.400) 12.400 16.334 ( 0.000 0.000 -6.959) 6.959 16.832 ( 0.000 0.000 -0.039) 0.039 17.145 ( 0.000 0.000 9.644) 9.644 17.150 ( 0.000 0.000 -0.611) 0.611 17.985 ( 0.000 0.000 1.517) 1.517 17.990 ( 0.000 0.000 8.565) 8.565 18.924 ( 0.000 0.000 1.040) 1.040 19.159 ( 0.000 0.000 -8.620) 8.620 20.172 ( 0.000 0.000 -19.210) 19.210 20.188 ( 0.000 0.000 -19.159) 19.159 20.754 ( 0.000 0.000 -12.033) 12.033 21.101 ( 0.000 0.000 4.092) 4.092 21.502 ( 0.000 0.000 -13.589) 13.589 21.747 ( 0.000 0.000 -5.103) 5.103 21.870 ( 0.000 0.000 2.607) 2.607 22.125 ( 0.000 0.000 3.104) 3.104 22.323 ( 0.000 0.000 12.766) 12.766 23.031 ( 0.000 0.000 3.591) 3.591 23.102 ( 0.000 0.000 3.552) 3.552 23.113 ( 0.000 0.000 3.810) 3.810 23.178 ( 0.000 0.000 10.707) 10.707 23.915 ( 0.000 0.000 5.385) 5.385 23.946 ( 0.000 0.000 4.816) 4.816 24.090 ( 0.000 0.000 13.258) 13.258 24.670 ( 0.000 0.000 0.053) 0.053 24.703 ( 0.000 0.000 4.893) 4.893 24.929 ( 0.000 0.000 4.667) 4.667 24.973 ( 0.000 0.000 2.897) 2.897 25.125 ( 0.000 0.000 3.407) 3.407 25.321 ( 0.000 0.000 1.379) 1.379 25.435 ( 0.000 0.000 2.072) 2.072 25.900 ( 0.000 0.000 -7.088) 7.088 26.045 ( 0.000 0.000 -3.874) 3.874 26.340 ( 0.000 0.000 -7.256) 7.256 26.501 ( 0.000 0.000 -9.599) 9.599 26.948 ( 0.000 0.000 8.933) 8.933 26.967 ( 0.000 0.000 2.031) 2.031 27.097 ( 0.000 0.000 12.018) 12.018 27.262 ( 0.000 0.000 -10.336) 10.336 27.604 ( 0.000 0.000 6.405) 6.405 27.713 ( 0.000 0.000 8.084) 8.084 28.271 ( 0.000 0.000 3.170) 3.170 28.650 ( 0.000 0.000 -0.382) 0.382 29.615 ( 0.000 0.000 -6.985) 6.985 34.891 ( 0.000 0.000 3.634) 3.634 35.072 ( 0.000 0.000 0.138) 0.138 35.086 ( 0.000 0.000 0.672) 0.672 35.327 ( 0.000 0.000 -0.986) 0.986 35.330 ( 0.000 0.000 -3.280) 3.280 35.362 ( 0.000 0.000 -2.330) 2.330 35.392 ( 0.000 0.000 -0.672) 0.672 35.705 ( 0.000 0.000 1.783) 1.783 35.728 ( 0.000 0.000 2.208) 2.208 35.927 ( 0.000 0.000 -0.766) 0.766 36.444 ( 0.000 0.000 -1.160) 1.160 36.658 ( 0.000 0.000 9.721) 9.721 36.811 ( 0.000 0.000 -5.322) 5.322 38.210 ( 0.000 0.000 -1.292) 1.292 38.763 ( 0.000 0.000 0.720) 0.720 39.072 ( 0.000 0.000 -8.285) 8.285 39.085 ( 0.000 0.000 -6.785) 6.785 39.397 ( 0.000 0.000 -7.602) 7.602 39.522 ( 0.000 0.000 -7.808) 7.808 39.691 ( 0.000 0.000 -6.463) 6.463 ======================= Grid point 26 (11/54) ======================= q-point: ( 0.20 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 33.923 0.000 29.313) 44.833 1.401 ( 30.578 0.000 27.075) 40.842 2.080 ( 33.881 0.000 40.882) 53.097 2.291 ( 6.697 0.000 2.248) 7.064 2.332 ( 0.321 0.000 -2.028) 2.053 2.571 ( -3.904 0.000 -1.660) 4.242 2.573 ( 0.612 0.000 0.609) 0.864 2.657 ( -0.613 0.000 0.544) 0.820 2.687 ( -1.558 0.000 0.744) 1.726 2.779 ( 1.874 0.000 0.407) 1.918 2.800 ( -0.993 0.000 -1.043) 1.440 2.942 ( -3.401 0.000 -2.601) 4.282 3.238 ( 8.266 0.000 10.445) 13.320 3.286 ( -4.339 0.000 -0.895) 4.431 3.436 ( 14.354 0.000 15.841) 21.377 3.807 ( 0.184 0.000 13.234) 13.235 4.212 ( 17.198 0.000 38.328) 42.009 4.235 ( -9.000 0.000 29.714) 31.047 4.366 ( 6.658 0.000 4.690) 8.144 4.426 ( -19.002 0.000 18.682) 26.648 4.713 ( 27.475 0.000 28.694) 39.727 4.964 ( -1.833 0.000 -14.107) 14.226 5.073 ( 1.802 0.000 -6.185) 6.443 5.172 ( 0.701 0.000 -0.077) 0.706 5.577 ( -0.476 0.000 -12.960) 12.969 5.694 ( -13.113 0.000 -12.779) 18.310 5.926 ( 14.235 0.000 4.055) 14.802 6.158 ( -15.903 0.000 2.171) 16.050 6.287 ( -2.328 0.000 20.396) 20.529 6.377 ( 2.690 0.000 12.040) 12.337 6.897 ( 29.374 0.000 -0.571) 29.379 7.228 ( -23.383 0.000 10.679) 25.706 7.466 ( 14.629 0.000 -7.014) 16.223 7.626 ( -11.143 0.000 -1.610) 11.259 7.859 ( -33.543 0.000 -1.344) 33.570 8.385 ( -21.786 0.000 7.920) 23.181 8.823 ( -6.006 0.000 -7.836) 9.873 8.888 ( 2.640 0.000 -16.778) 16.985 9.058 ( 13.737 0.000 -0.027) 13.737 9.084 ( -22.323 0.000 5.014) 22.879 9.349 ( -30.073 0.000 1.185) 30.097 9.363 ( 0.960 0.000 2.159) 2.363 9.710 ( 6.184 0.000 -10.722) 12.377 9.798 ( -2.577 0.000 -7.209) 7.656 10.043 ( 12.409 0.000 -10.370) 16.172 10.297 ( 14.970 0.000 1.305) 15.027 10.377 ( 2.413 0.000 -6.363) 6.805 10.468 ( -0.489 0.000 5.936) 5.956 10.771 ( -3.801 0.000 -0.366) 3.819 10.895 ( -11.162 0.000 -11.723) 16.187 11.108 ( 9.647 0.000 7.069) 11.960 11.220 ( 2.796 0.000 4.875) 5.620 11.399 ( 6.849 0.000 13.244) 14.911 11.636 ( 0.479 0.000 0.038) 0.481 11.743 ( -6.701 0.000 0.190) 6.704 11.935 ( 16.669 0.000 -0.573) 16.678 12.147 ( 0.014 0.000 1.207) 1.207 12.197 ( 10.053 0.000 2.811) 10.439 12.369 ( 6.267 0.000 -8.323) 10.419 12.736 ( -5.566 0.000 -4.963) 7.458 12.994 ( 0.653 0.000 -6.241) 6.275 13.005 ( -5.950 0.000 -4.638) 7.545 13.223 ( -10.516 0.000 2.983) 10.931 13.282 ( -6.080 0.000 3.232) 6.886 13.387 ( -8.878 0.000 -4.814) 10.099 13.580 ( 8.203 0.000 -13.581) 15.866 13.650 ( 6.306 0.000 -4.783) 7.915 13.852 ( 7.191 0.000 -8.278) 10.966 13.863 ( -4.815 0.000 1.524) 5.051 13.872 ( 0.888 0.000 -10.674) 10.711 14.170 ( -5.422 0.000 -8.709) 10.259 14.276 ( -4.521 0.000 2.272) 5.060 14.340 ( 2.918 0.000 3.868) 4.845 14.423 ( 3.936 0.000 -2.449) 4.636 14.443 ( 3.652 0.000 -9.251) 9.946 14.684 ( -1.928 0.000 -8.585) 8.799 14.758 ( 10.393 0.000 16.830) 19.780 15.390 ( 9.376 0.000 13.559) 16.485 15.760 ( 6.977 0.000 0.871) 7.031 16.055 ( -19.806 0.000 16.495) 25.775 16.396 ( 8.810 0.000 -7.115) 11.324 16.861 ( 2.184 0.000 -1.418) 2.604 17.044 ( -8.014 0.000 9.029) 12.072 17.091 ( -4.716 0.000 -2.536) 5.355 18.151 ( 15.052 0.000 1.840) 15.164 18.199 ( 17.272 0.000 8.582) 19.286 18.897 ( -2.923 0.000 1.465) 3.270 19.159 ( -4.081 0.000 -13.992) 14.575 20.191 ( 1.579 0.000 -19.153) 19.218 20.244 ( 5.882 0.000 -18.638) 19.544 20.651 ( -10.603 0.000 -10.522) 14.938 21.005 ( -3.297 0.000 5.050) 6.031 21.246 ( -19.611 0.000 -12.296) 23.147 21.601 ( -13.181 0.000 -0.518) 13.191 22.020 ( 9.601 0.000 2.130) 9.834 22.304 ( 13.853 0.000 0.472) 13.861 22.315 ( -0.908 0.000 11.824) 11.858 22.980 ( -9.671 0.000 8.050) 12.582 23.029 ( -0.127 0.000 3.372) 3.374 23.087 ( -1.399 0.000 3.384) 3.661 23.278 ( 8.700 0.000 9.435) 12.834 23.929 ( -2.441 0.000 7.590) 7.973 23.962 ( 1.420 0.000 5.415) 5.598 24.071 ( -1.638 0.000 11.839) 11.951 24.576 ( -30.721 0.000 25.792) 40.112 24.599 ( -10.793 0.000 6.573) 12.637 24.733 ( 2.887 0.000 4.684) 5.502 24.963 ( 1.810 0.000 5.911) 6.182 25.017 ( 2.702 0.000 4.582) 5.319 25.068 ( -5.182 0.000 3.574) 6.295 25.364 ( 0.672 0.000 2.928) 3.004 25.473 ( -2.127 0.000 5.702) 6.086 26.094 ( 17.013 0.000 -10.483) 19.983 26.507 ( 1.106 0.000 -10.834) 10.890 26.894 ( -1.128 0.000 -5.299) 5.418 26.977 ( 7.099 0.000 -17.036) 18.456 26.978 ( 3.571 0.000 11.678) 12.212 27.087 ( 10.521 0.000 2.194) 10.747 27.367 ( 10.292 0.000 -3.550) 10.887 27.641 ( -7.040 0.000 8.391) 10.953 27.841 ( 2.893 0.000 5.523) 6.235 28.124 ( -14.094 0.000 4.149) 14.692 29.223 ( 21.603 0.000 -30.116) 37.063 29.633 ( 0.542 0.000 -7.783) 7.802 34.925 ( 3.249 0.000 3.082) 4.479 35.083 ( 0.642 0.000 0.243) 0.686 35.088 ( 0.470 0.000 0.741) 0.877 35.302 ( -2.589 0.000 -0.741) 2.693 35.335 ( 0.332 0.000 -3.453) 3.469 35.366 ( -0.832 0.000 -1.943) 2.113 35.372 ( 0.833 0.000 -1.935) 2.106 35.561 ( -8.488 0.000 1.175) 8.569 36.117 ( 17.821 0.000 -18.933) 26.001 36.118 ( 13.305 0.000 -0.981) 13.341 36.419 ( -1.959 0.000 -2.989) 3.574 36.762 ( -4.869 0.000 -4.933) 6.931 36.834 ( 16.624 0.000 8.423) 18.636 38.139 ( -35.331 0.000 26.061) 43.903 38.266 ( 5.327 0.000 -1.228) 5.466 38.718 ( -4.474 0.000 0.401) 4.492 39.412 ( 2.521 0.000 -8.437) 8.805 39.517 ( -0.263 0.000 -7.450) 7.455 39.641 ( 6.888 0.000 -22.231) 23.274 39.649 ( -3.700 0.000 -6.134) 7.163 ======================= Grid point 27 (12/54) ======================= q-point: ( 0.40 0.00 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( 22.333 0.000 5.418) 22.981 2.013 ( 37.668 0.000 14.950) 40.527 2.260 ( -7.523 0.000 -2.853) 8.046 2.362 ( 6.924 0.000 6.912) 9.783 2.491 ( -4.464 0.000 3.041) 5.402 2.529 ( -9.365 0.000 2.757) 9.762 2.599 ( 5.085 0.000 2.967) 5.887 2.640 ( -2.349 0.000 -0.058) 2.349 2.673 ( 6.065 0.000 4.049) 7.292 2.770 ( -2.369 0.000 0.851) 2.517 2.818 ( 1.643 0.000 -0.843) 1.846 2.868 ( -3.712 0.000 -1.182) 3.895 3.214 ( -0.208 0.000 2.439) 2.448 3.418 ( 13.074 0.000 24.325) 27.616 3.448 ( -25.099 0.000 8.857) 26.616 3.752 ( -12.146 0.000 28.832) 31.286 4.177 ( 24.359 0.000 7.291) 25.427 4.368 ( 9.823 0.000 25.597) 27.417 4.483 ( 3.323 0.000 35.732) 35.887 4.494 ( -0.239 0.000 -2.684) 2.694 5.002 ( 8.940 0.000 -12.560) 15.417 5.216 ( 8.760 0.000 1.340) 8.861 5.221 ( 8.017 0.000 2.983) 8.554 5.325 ( 14.178 0.000 24.453) 28.266 5.335 ( -11.165 0.000 -13.211) 17.297 5.607 ( -8.838 0.000 -3.607) 9.546 5.902 ( 5.435 0.000 0.859) 5.502 6.260 ( -4.380 0.000 2.813) 5.206 6.290 ( 6.367 0.000 28.530) 29.232 6.416 ( 18.905 0.000 10.328) 21.543 6.672 ( -28.851 0.000 20.200) 35.219 7.083 ( -38.593 0.000 4.609) 38.868 7.384 ( 8.121 0.000 -15.315) 17.335 7.431 ( -5.344 0.000 -7.895) 9.534 7.843 ( 20.860 0.000 -9.650) 22.984 8.013 ( 9.859 0.000 13.459) 16.683 8.387 ( -33.297 0.000 -6.363) 33.899 8.621 ( -37.137 0.000 2.608) 37.229 9.011 ( 8.026 0.000 -2.323) 8.355 9.044 ( 13.057 0.000 -6.992) 14.812 9.212 ( -1.033 0.000 -5.629) 5.722 9.236 ( -12.614 0.000 5.784) 13.877 9.906 ( 12.242 0.000 -13.813) 18.457 9.983 ( 8.720 0.000 -20.139) 21.945 10.248 ( 10.482 0.000 -7.187) 12.709 10.368 ( 1.496 0.000 -4.035) 4.304 10.414 ( -4.444 0.000 -0.619) 4.486 10.564 ( 7.540 0.000 3.324) 8.241 10.601 ( -16.677 0.000 -13.060) 21.182 10.676 ( -4.861 0.000 2.277) 5.368 11.242 ( 3.862 0.000 10.382) 11.077 11.276 ( 0.916 0.000 9.525) 9.569 11.606 ( -2.349 0.000 0.151) 2.354 11.613 ( -3.576 0.000 0.038) 3.576 11.644 ( 16.818 0.000 6.640) 18.082 11.986 ( -14.597 0.000 4.132) 15.171 12.262 ( 13.533 0.000 -5.295) 14.532 12.427 ( 3.947 0.000 0.337) 3.962 12.571 ( 11.722 0.000 -2.783) 12.048 12.642 ( 3.400 0.000 -0.432) 3.427 12.820 ( -12.898 0.000 0.823) 12.924 12.864 ( -9.875 0.000 2.854) 10.279 13.171 ( -2.287 0.000 -5.185) 5.667 13.223 ( -6.571 0.000 -7.125) 9.692 13.316 ( 14.387 0.000 -3.984) 14.928 13.611 ( -10.939 0.000 -7.562) 13.298 13.740 ( 3.075 0.000 2.396) 3.898 13.787 ( -1.902 0.000 4.936) 5.289 13.891 ( 7.646 0.000 -21.672) 22.982 14.032 ( 7.081 0.000 -11.911) 13.857 14.055 ( -6.768 0.000 -18.724) 19.910 14.153 ( -5.728 0.000 -6.052) 8.333 14.408 ( 3.327 0.000 2.490) 4.156 14.457 ( -0.904 0.000 0.896) 1.273 14.565 ( 5.231 0.000 -6.287) 8.178 14.641 ( -2.523 0.000 -8.318) 8.692 15.100 ( 22.144 0.000 21.904) 31.146 15.551 ( 7.988 0.000 15.715) 17.628 15.587 ( -24.937 0.000 20.936) 32.561 15.713 ( -7.320 0.000 10.181) 12.540 16.634 ( 12.284 0.000 -3.067) 12.661 16.860 ( -10.143 0.000 3.764) 10.819 16.913 ( 3.179 0.000 -2.403) 3.984 16.992 ( -4.627 0.000 -3.084) 5.561 18.532 ( 21.284 0.000 -0.726) 21.296 18.553 ( 15.622 0.000 6.295) 16.842 18.791 ( -8.086 0.000 3.177) 8.688 18.939 ( -17.090 0.000 -7.667) 18.730 20.245 ( 4.381 0.000 -17.960) 18.487 20.398 ( -11.234 0.000 -14.565) 18.394 20.447 ( 14.634 0.000 -16.665) 22.179 20.819 ( -21.178 0.000 -13.902) 25.333 21.069 ( 8.480 0.000 4.596) 9.645 21.306 ( -14.275 0.000 2.957) 14.579 22.184 ( 6.368 0.000 5.318) 8.296 22.278 ( -3.056 0.000 9.108) 9.607 22.575 ( 12.127 0.000 2.791) 12.444 22.789 ( -9.527 0.000 5.855) 11.182 23.032 ( 0.607 0.000 3.079) 3.138 23.055 ( -1.545 0.000 3.097) 3.461 23.486 ( 11.478 0.000 9.328) 14.791 23.735 ( -13.052 0.000 12.534) 18.096 23.996 ( 1.847 0.000 7.033) 7.271 24.034 ( -1.893 0.000 9.287) 9.478 24.355 ( 2.339 0.000 7.351) 7.714 24.459 ( -6.653 0.000 2.076) 6.969 24.817 ( 5.367 0.000 4.194) 6.812 24.942 ( -6.683 0.000 3.809) 7.692 25.016 ( 2.687 0.000 6.043) 6.614 25.048 ( -0.092 0.000 5.843) 5.843 25.391 ( 1.825 0.000 2.008) 2.713 25.433 ( -2.119 0.000 3.022) 3.691 26.430 ( 11.952 0.000 -17.401) 21.111 26.532 ( 0.026 0.000 -14.910) 14.910 26.912 ( 3.762 0.000 -4.891) 6.170 26.999 ( -3.458 0.000 -12.094) 12.579 27.137 ( 13.100 0.000 16.157) 20.801 27.344 ( 12.245 0.000 3.388) 12.705 27.446 ( -9.478 0.000 10.904) 14.448 27.629 ( 12.549 0.000 -2.984) 12.899 27.747 ( -21.261 0.000 6.089) 22.116 27.810 ( -5.145 0.000 1.426) 5.339 29.449 ( 6.856 0.000 -16.442) 17.814 29.579 ( -5.627 0.000 -9.556) 11.090 35.010 ( 4.506 0.000 1.286) 4.686 35.073 ( -1.500 0.000 0.107) 1.503 35.124 ( 2.888 0.000 1.624) 3.313 35.215 ( -5.582 0.000 1.373) 5.748 35.343 ( 0.473 0.000 -3.257) 3.291 35.354 ( -0.545 0.000 -2.867) 2.919 35.394 ( 1.429 0.000 -1.464) 2.046 35.439 ( -3.542 0.000 -0.421) 3.567 36.310 ( 4.618 0.000 -11.255) 12.165 36.375 ( -2.475 0.000 -6.028) 6.516 36.389 ( 12.841 0.000 -2.308) 13.047 36.617 ( -9.440 0.000 -3.830) 10.187 37.214 ( 19.090 0.000 9.268) 21.221 37.605 ( -20.853 0.000 18.556) 27.914 38.411 ( 8.607 0.000 -0.945) 8.659 38.588 ( -8.170 0.000 -0.331) 8.177 39.490 ( 5.300 0.000 -9.415) 10.804 39.523 ( 1.126 0.000 -6.543) 6.640 39.570 ( -3.498 0.000 -5.891) 6.851 39.612 ( -5.806 0.000 -13.353) 14.561 ======================= Grid point 30 (13/54) ======================= q-point: ( 0.00 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 0.000 32.457 32.156) 45.689 1.426 ( 0.000 34.111 27.752) 43.974 2.080 ( 0.000 42.318 40.130) 58.320 2.281 ( 0.000 1.156 2.875) 3.099 2.333 ( 0.000 0.587 -0.170) 0.611 2.548 ( 0.000 -9.595 -1.499) 9.711 2.562 ( 0.000 -1.793 1.071) 2.089 2.656 ( 0.000 -0.690 2.148) 2.256 2.679 ( 0.000 -4.404 4.625) 6.386 2.709 ( 0.000 1.138 -0.434) 1.218 2.793 ( 0.000 -2.013 -1.365) 2.432 2.941 ( 0.000 -4.005 -3.425) 5.270 3.082 ( 0.000 -2.131 5.568) 5.962 3.269 ( 0.000 -8.426 15.826) 17.930 3.398 ( 0.000 -2.794 11.192) 11.535 3.587 ( 0.000 5.134 12.288) 13.318 3.628 ( 0.000 -15.165 27.293) 31.223 4.313 ( 0.000 -6.426 18.903) 19.966 4.389 ( 0.000 -0.931 26.657) 26.674 4.422 ( 0.000 6.296 37.781) 38.302 4.878 ( 0.000 -23.154 5.430) 23.783 5.083 ( 0.000 14.330 -6.892) 15.901 5.116 ( 0.000 10.409 -6.196) 12.114 5.371 ( 0.000 -24.821 -4.545) 25.234 5.404 ( 0.000 20.584 -11.566) 23.611 5.498 ( 0.000 -4.533 -5.401) 7.051 5.768 ( 0.000 -9.356 -0.050) 9.356 6.010 ( 0.000 -6.694 3.267) 7.449 6.254 ( 0.000 1.872 15.899) 16.008 6.796 ( 0.000 16.342 1.199) 16.386 6.925 ( 0.000 19.218 10.145) 21.731 7.219 ( 0.000 -5.355 -2.904) 6.092 7.632 ( 0.000 9.885 9.375) 13.623 7.849 ( 0.000 1.369 -15.238) 15.299 8.116 ( 0.000 -1.363 -3.987) 4.213 8.447 ( 0.000 1.251 6.743) 6.858 8.719 ( 0.000 -7.417 -7.935) 10.862 8.766 ( 0.000 -1.306 -3.383) 3.626 9.043 ( 0.000 -8.359 -9.651) 12.768 9.247 ( 0.000 -6.613 -3.456) 7.462 9.286 ( 0.000 -21.086 -0.030) 21.086 9.584 ( 0.000 -9.942 -8.899) 13.343 9.634 ( 0.000 3.135 4.280) 5.305 9.732 ( 0.000 1.363 1.305) 1.887 9.834 ( 0.000 -25.631 1.845) 25.697 9.921 ( 0.000 -6.733 0.042) 6.734 10.393 ( 0.000 17.928 -7.104) 19.284 10.680 ( 0.000 19.623 6.684) 20.731 10.894 ( 0.000 -0.398 -3.260) 3.284 11.058 ( 0.000 6.970 -2.975) 7.578 11.188 ( 0.000 0.069 4.386) 4.386 11.210 ( 0.000 1.434 3.883) 4.139 11.394 ( 0.000 21.228 -1.271) 21.266 11.626 ( 0.000 -7.281 0.607) 7.307 11.714 ( 0.000 -3.430 4.162) 5.393 12.031 ( 0.000 28.054 3.596) 28.284 12.155 ( 0.000 6.311 0.844) 6.367 12.190 ( 0.000 8.524 -2.658) 8.928 12.337 ( 0.000 -1.254 -11.342) 11.411 12.713 ( 0.000 -12.034 -11.545) 16.676 12.806 ( 0.000 -18.444 -2.630) 18.630 13.055 ( 0.000 -1.295 -3.955) 4.162 13.159 ( 0.000 -3.947 -1.044) 4.082 13.259 ( 0.000 -8.066 0.952) 8.122 13.386 ( 0.000 -9.769 -7.167) 12.116 13.600 ( 0.000 -0.441 -7.133) 7.146 13.655 ( 0.000 2.603 -4.474) 5.176 13.670 ( 0.000 2.302 6.695) 7.080 13.863 ( 0.000 -5.111 -0.128) 5.113 13.940 ( 0.000 -5.573 -6.636) 8.666 13.992 ( 0.000 4.657 -2.955) 5.515 14.227 ( 0.000 -3.708 -4.111) 5.537 14.380 ( 0.000 2.224 10.785) 11.012 14.469 ( 0.000 1.052 3.690) 3.837 14.560 ( 0.000 1.478 7.786) 7.925 14.756 ( 0.000 2.381 -7.976) 8.323 14.826 ( 0.000 4.285 -14.178) 14.811 15.109 ( 0.000 -8.476 -1.381) 8.588 15.688 ( 0.000 14.792 18.647) 23.802 16.460 ( 0.000 14.727 -13.305) 19.847 16.473 ( 0.000 14.906 8.012) 16.923 16.629 ( 0.000 -20.813 6.604) 21.835 17.073 ( 0.000 -3.421 8.874) 9.511 17.102 ( 0.000 -4.602 -0.157) 4.604 17.987 ( 0.000 0.320 3.337) 3.352 18.006 ( 0.000 0.485 8.950) 8.963 19.010 ( 0.000 5.186 -2.802) 5.895 19.139 ( 0.000 -1.870 -7.579) 7.806 20.155 ( 0.000 -2.074 -19.009) 19.122 20.157 ( 0.000 -1.292 -19.445) 19.487 20.736 ( 0.000 3.383 -11.603) 12.086 21.260 ( 0.000 -16.161 -14.908) 21.987 21.295 ( 0.000 18.099 7.008) 19.408 21.917 ( 0.000 3.892 1.081) 4.040 21.974 ( 0.000 14.345 -3.542) 14.775 22.092 ( 0.000 -2.783 1.289) 3.067 22.192 ( 0.000 -14.359 14.227) 20.213 22.642 ( 0.000 -19.451 2.169) 19.572 22.936 ( 0.000 -8.393 2.559) 8.775 23.026 ( 0.000 -7.184 6.742) 9.852 23.512 ( 0.000 16.331 8.429) 18.378 23.910 ( 0.000 -3.805 3.733) 5.330 24.004 ( 0.000 7.410 16.887) 18.441 24.370 ( 0.000 22.634 5.595) 23.316 24.659 ( 0.000 -6.503 6.222) 9.000 24.741 ( 0.000 2.593 4.858) 5.507 24.891 ( 0.000 -37.843 37.796) 53.485 24.908 ( 0.000 -2.549 4.415) 5.098 24.918 ( 0.000 -3.899 3.515) 5.249 25.168 ( 0.000 3.655 4.000) 5.419 25.262 ( 0.000 -9.829 0.298) 9.833 25.392 ( 0.000 -11.664 12.327) 16.970 25.930 ( 0.000 2.273 -6.494) 6.880 26.027 ( 0.000 -1.708 -4.270) 4.599 26.901 ( 0.000 7.111 -10.365) 12.570 26.968 ( 0.000 0.033 1.933) 1.933 27.018 ( 0.000 2.851 5.828) 6.488 27.223 ( 0.000 -3.789 -9.882) 10.583 27.265 ( 0.000 11.642 -3.600) 12.186 27.566 ( 0.000 -3.680 4.936) 6.157 27.731 ( 0.000 1.707 8.736) 8.902 27.971 ( 0.000 -15.923 13.484) 20.865 28.541 ( 0.000 10.744 9.221) 14.158 29.385 ( 0.000 -20.694 -4.255) 21.127 34.914 ( 0.000 2.063 3.517) 4.078 35.033 ( 0.000 -3.040 1.471) 3.377 35.334 ( 0.000 0.670 -1.168) 1.347 35.365 ( 0.000 -0.154 -2.503) 2.508 35.376 ( 0.000 2.723 -3.915) 4.768 35.384 ( 0.000 0.621 -1.742) 1.849 35.677 ( 0.000 1.778 0.538) 1.857 35.719 ( 0.000 -0.782 2.035) 2.180 35.993 ( 0.000 6.235 -0.964) 6.310 36.267 ( 0.000 20.661 -28.213) 34.969 36.421 ( 0.000 13.567 -14.290) 19.704 36.765 ( 0.000 3.138 -1.032) 3.303 36.907 ( 0.000 15.974 1.485) 16.042 37.946 ( 0.000 -22.950 -0.690) 22.960 38.703 ( 0.000 2.437 -0.564) 2.502 39.001 ( 0.000 -6.591 -7.461) 9.956 39.416 ( 0.000 10.188 -16.690) 19.554 39.532 ( 0.000 0.608 -8.405) 8.427 39.537 ( 0.000 13.626 -15.650) 20.751 39.709 ( 0.000 1.184 -8.543) 8.624 ======================= Grid point 31 (14/54) ======================= q-point: ( 0.20 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 19.358 25.930 21.558) 38.882 1.686 ( 21.730 23.392 21.104) 38.273 2.304 ( 2.518 1.380 2.320) 3.691 2.349 ( 1.465 2.113 0.820) 2.698 2.395 ( 18.869 19.900 20.443) 34.205 2.524 ( -2.896 -5.637 -2.590) 6.846 2.563 ( -0.298 -2.497 0.321) 2.535 2.652 ( 0.653 -0.184 2.176) 2.279 2.668 ( -1.154 -1.725 1.720) 2.695 2.710 ( 0.810 -2.765 3.378) 4.440 2.772 ( -1.933 -3.089 -0.315) 3.658 2.898 ( -2.693 -3.799 -1.296) 4.833 3.241 ( 10.387 0.672 9.476) 14.076 3.388 ( 9.599 3.380 13.539) 16.937 3.402 ( 5.015 3.093 6.151) 8.517 3.694 ( 11.468 -0.510 22.094) 24.898 3.874 ( 21.611 -13.417 23.577) 34.683 4.262 ( -8.751 -8.384 16.072) 20.130 4.382 ( -7.103 7.792 34.649) 36.218 4.512 ( 1.366 -7.483 18.215) 19.739 4.646 ( -1.128 -5.321 22.170) 22.827 5.044 ( -4.774 1.032 -9.531) 10.710 5.168 ( 2.114 -1.315 -6.859) 7.297 5.309 ( -3.881 -10.952 -1.998) 11.790 5.360 ( 3.928 11.142 -6.998) 13.731 5.527 ( 4.138 -5.678 -4.770) 8.492 5.872 ( 10.217 -4.301 -0.899) 11.122 6.066 ( -5.832 -5.512 1.417) 8.149 6.278 ( 11.566 11.090 19.973) 25.606 6.832 ( -0.378 19.398 2.893) 19.616 7.093 ( 13.285 16.171 1.391) 20.974 7.266 ( -22.231 4.828 7.731) 24.027 7.433 ( 15.858 -2.980 -6.372) 17.348 7.721 ( -26.310 -9.462 0.156) 27.960 7.878 ( -9.859 19.314 -2.579) 21.837 8.239 ( -19.898 -6.933 6.542) 22.063 8.643 ( -13.448 -16.677 -6.350) 22.345 8.853 ( -7.910 -8.593 -4.365) 12.469 8.975 ( 5.855 0.402 -9.778) 11.404 9.134 ( -6.409 1.593 1.132) 6.700 9.250 ( 1.073 -9.137 -1.259) 9.285 9.358 ( -22.835 -0.830 -1.269) 22.885 9.613 ( -7.623 -9.708 -2.674) 12.630 9.744 ( 7.276 -5.440 -5.724) 10.738 9.809 ( 2.553 -20.139 -4.583) 20.811 10.023 ( 12.873 -16.149 -0.670) 20.663 10.384 ( -0.602 12.944 -4.663) 13.772 10.640 ( -3.369 12.659 2.982) 13.434 10.884 ( -2.775 -0.512 -4.916) 5.668 11.051 ( -6.312 9.943 -1.770) 11.909 11.156 ( -2.104 -1.358 2.972) 3.887 11.266 ( 2.396 -0.503 4.998) 5.565 11.530 ( 11.586 17.145 -0.738) 20.706 11.623 ( 3.903 1.626 2.212) 4.772 11.896 ( 14.889 -1.291 0.013) 14.945 12.021 ( -1.636 25.412 2.167) 25.557 12.202 ( 4.216 4.331 -2.409) 6.506 12.329 ( 11.881 9.763 2.534) 15.585 12.423 ( 4.126 1.112 -9.354) 10.283 12.660 ( -1.541 -7.918 -4.598) 9.285 12.807 ( 0.401 -10.284 -4.303) 11.155 13.064 ( -2.386 1.003 0.076) 2.590 13.131 ( -3.468 -10.919 -1.903) 11.613 13.169 ( -2.141 -8.923 -2.270) 9.453 13.365 ( -11.007 1.489 0.797) 11.136 13.514 ( 2.545 -4.275 -6.965) 8.559 13.634 ( -1.935 -6.439 -0.088) 6.724 13.719 ( 2.535 -6.932 -5.331) 9.105 13.829 ( -0.829 2.027 -5.661) 6.070 13.922 ( -1.828 3.636 -1.808) 4.454 14.091 ( 6.616 -8.497 -4.930) 11.844 14.233 ( -2.247 -2.218 -6.672) 7.382 14.294 ( -3.361 2.294 -0.254) 4.077 14.405 ( -0.426 0.210 2.660) 2.702 14.616 ( 0.689 2.637 -8.124) 8.569 14.740 ( -3.660 3.825 -4.794) 7.142 14.869 ( 14.138 10.348 7.163) 18.928 15.491 ( 16.010 0.494 6.447) 17.266 15.774 ( 8.090 1.423 9.549) 12.596 16.261 ( -15.626 13.238 13.117) 24.321 16.410 ( -2.752 11.274 -5.571) 12.872 16.664 ( 0.879 -15.427 3.406) 15.823 16.997 ( -6.094 -4.504 5.788) 9.535 17.034 ( -5.404 -6.221 -2.428) 8.590 18.153 ( 14.984 0.437 3.559) 15.407 18.199 ( 16.202 -0.543 8.792) 18.441 18.947 ( -5.052 4.022 -0.068) 6.458 19.114 ( -4.917 -3.752 -9.303) 11.171 20.177 ( 2.094 -1.063 -19.058) 19.202 20.206 ( 5.011 -2.727 -18.623) 19.477 20.644 ( -9.699 2.048 -12.564) 16.003 21.048 ( -16.240 -12.712 -13.460) 24.628 21.223 ( -3.006 17.542 6.613) 18.987 21.779 ( -12.123 13.001 -0.014) 17.776 22.045 ( 4.256 -0.298 2.656) 5.026 22.180 ( 0.530 -12.096 10.525) 16.043 22.292 ( 14.161 -0.878 0.924) 14.219 22.711 ( 5.039 -18.499 2.120) 19.290 22.885 ( -5.090 -6.417 3.667) 8.974 22.972 ( -3.871 -6.511 6.327) 9.870 23.546 ( 3.636 14.752 8.164) 17.248 23.920 ( 0.895 -3.945 4.099) 5.759 23.969 ( -3.559 4.628 15.245) 16.325 24.294 ( -15.878 4.535 19.286) 25.389 24.464 ( -5.302 3.756 14.791) 16.155 24.651 ( -4.540 5.093 2.236) 7.180 24.770 ( 2.827 3.144 4.552) 6.212 24.936 ( 2.253 -3.032 5.054) 6.309 24.941 ( 1.540 -4.831 4.150) 6.553 25.126 ( -4.059 4.231 4.448) 7.359 25.268 ( 0.695 -10.574 0.639) 10.616 25.367 ( -1.513 -7.803 7.463) 10.903 26.140 ( 18.218 4.144 -9.737) 21.068 26.399 ( 15.919 -8.080 -8.956) 19.973 26.852 ( -2.199 0.698 -7.289) 7.646 26.944 ( 0.937 -1.952 -7.483) 7.790 27.094 ( 6.375 4.441 7.752) 10.975 27.180 ( -0.242 4.554 -0.872) 4.643 27.418 ( 15.449 8.088 -4.364) 17.976 27.657 ( -5.988 1.507 8.066) 10.158 27.779 ( -0.937 -3.965 6.216) 7.432 28.226 ( 8.783 -3.519 -1.091) 9.524 28.561 ( 13.667 -23.106 5.440) 27.391 29.345 ( -4.071 -23.436 -3.541) 24.049 34.952 ( 3.670 2.264 3.079) 5.299 35.058 ( 2.402 -2.184 1.450) 3.555 35.307 ( -2.934 0.792 -1.022) 3.207 35.333 ( -3.889 0.408 -0.929) 4.020 35.382 ( 0.661 2.190 -3.023) 3.791 35.393 ( 0.739 1.759 -2.452) 3.107 35.511 ( -8.529 11.177 -2.759) 14.327 35.597 ( -8.308 2.942 0.537) 8.830 36.154 ( 12.073 3.765 -1.335) 12.717 36.365 ( 4.641 3.927 -13.783) 15.064 36.421 ( 0.086 13.089 -14.101) 19.240 36.745 ( -3.814 -0.985 -5.447) 6.722 37.030 ( 12.766 18.166 3.500) 22.477 38.016 ( 6.524 -21.173 -0.510) 22.161 38.325 ( -32.003 14.393 9.113) 36.255 38.724 ( -10.741 -1.283 -1.516) 10.923 39.473 ( 1.795 4.182 -8.432) 9.582 39.529 ( -0.099 0.783 -8.112) 8.150 39.626 ( 1.098 0.504 -12.951) 13.007 39.671 ( -3.052 0.406 -11.942) 12.333 ======================= Grid point 32 (15/54) ======================= q-point: ( 0.40 0.25 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.054 ( 21.650 8.328 7.025) 24.237 2.129 ( 20.800 10.125 8.515) 24.651 2.312 ( -5.760 4.318 -2.817) 7.731 2.396 ( 4.551 1.309 3.625) 5.963 2.456 ( -3.360 -3.245 2.153) 5.144 2.514 ( -6.421 -0.551 3.185) 7.188 2.539 ( -0.069 -5.808 3.246) 6.654 2.595 ( -6.449 -4.537 1.914) 8.114 2.696 ( 2.200 -0.086 2.319) 3.198 2.724 ( 0.372 0.861 2.124) 2.322 2.784 ( 3.308 -3.784 0.694) 5.074 2.847 ( -2.617 -2.727 -0.387) 3.799 3.356 ( 1.840 13.471 5.512) 14.671 3.419 ( 3.760 7.818 17.729) 19.738 3.616 ( 0.748 7.222 12.996) 14.886 3.855 ( -9.895 7.779 26.007) 28.893 4.158 ( 9.258 -9.865 19.912) 24.073 4.277 ( 8.133 -14.078 14.435) 21.741 4.319 ( 7.776 3.061 18.131) 19.964 4.408 ( -4.906 -14.630 12.026) 19.564 4.796 ( 11.846 -7.471 19.164) 23.736 4.999 ( -3.088 -0.374 -3.308) 4.541 5.186 ( 3.444 -7.941 -3.527) 9.347 5.277 ( -2.503 -6.961 -3.581) 8.219 5.583 ( 13.083 3.916 1.788) 13.773 5.788 ( 8.356 20.148 0.509) 21.818 6.000 ( 22.213 4.080 5.934) 23.351 6.240 ( 16.474 3.018 5.678) 17.684 6.479 ( 3.689 6.847 16.611) 18.342 6.550 ( -23.097 12.417 11.200) 28.515 6.762 ( -19.446 7.355 13.236) 24.646 6.985 ( -35.040 -7.212 3.448) 35.940 7.468 ( 3.775 8.689 -9.127) 13.155 7.574 ( -12.420 14.839 -5.201) 20.037 7.843 ( 16.228 -0.132 -7.028) 17.685 8.013 ( 19.127 0.794 8.035) 20.761 8.332 ( -29.052 -6.550 -4.377) 30.101 8.640 ( -34.382 0.760 1.937) 34.444 8.652 ( 7.742 -20.724 -4.345) 22.546 8.913 ( -14.425 -14.175 3.438) 20.514 9.223 ( 11.652 2.493 -8.764) 14.791 9.390 ( -2.998 2.215 -2.002) 4.231 9.642 ( 9.880 -20.495 -9.478) 24.648 9.794 ( -3.987 -20.687 -5.109) 21.678 9.972 ( 13.263 -4.131 -12.103) 18.425 10.254 ( -11.496 3.067 -7.593) 14.115 10.337 ( 16.120 -10.602 -5.213) 19.986 10.604 ( -3.993 0.315 -3.694) 5.449 10.800 ( -2.203 8.867 1.313) 9.231 10.892 ( -8.742 11.832 0.503) 14.720 11.108 ( 0.780 -6.837 3.702) 7.814 11.194 ( -6.111 -6.037 5.045) 9.962 11.783 ( 10.406 14.731 1.532) 18.101 11.827 ( 12.862 15.653 2.869) 20.462 11.959 ( -3.568 20.816 1.282) 21.159 12.084 ( -3.416 4.614 0.002) 5.740 12.286 ( 6.163 4.109 -3.159) 8.053 12.400 ( -3.910 -4.057 -6.807) 8.836 12.583 ( 10.989 7.235 4.318) 13.847 12.696 ( 1.436 4.169 -0.613) 4.452 12.849 ( 2.892 5.965 -1.535) 6.805 12.946 ( -4.504 -3.935 -2.709) 6.566 13.050 ( -2.973 -8.756 -1.690) 9.400 13.144 ( -9.271 -1.079 -2.910) 9.777 13.265 ( 9.661 -6.522 -1.959) 11.819 13.487 ( -9.258 -9.457 0.143) 13.235 13.634 ( 4.688 -13.940 -5.931) 15.858 13.707 ( -1.507 -16.628 -2.077) 16.825 13.862 ( 0.635 9.395 -4.239) 10.326 13.898 ( -1.406 2.538 -0.924) 3.045 14.124 ( 1.144 -1.212 -4.945) 5.218 14.193 ( -3.138 -2.243 -9.868) 10.595 14.348 ( 6.960 0.914 -13.661) 15.359 14.435 ( 0.372 1.460 -4.636) 4.874 14.588 ( -0.504 -4.394 -9.674) 10.637 14.653 ( -4.912 -0.366 -5.083) 7.078 15.247 ( 20.310 14.913 16.624) 30.187 15.580 ( -8.186 11.895 16.943) 22.262 15.866 ( 2.271 11.441 10.071) 15.411 15.987 ( -9.399 16.655 16.392) 25.188 16.468 ( 8.092 -7.179 -2.018) 11.004 16.626 ( -5.436 -14.581 1.875) 15.674 16.899 ( -1.907 -6.309 0.010) 6.591 16.930 ( -4.101 -7.670 -2.745) 9.120 18.522 ( 19.846 -0.537 0.982) 19.878 18.545 ( 16.282 -0.805 6.444) 17.529 18.804 ( -9.638 1.268 2.515) 10.041 18.902 ( -15.717 -2.992 -4.311) 16.570 20.245 ( 5.190 0.380 -17.975) 18.713 20.377 ( 12.073 -5.501 -16.946) 21.522 20.408 ( -10.902 1.671 -15.041) 18.651 20.689 ( -17.864 -10.291 -14.335) 25.110 21.279 ( 7.841 18.803 4.613) 20.888 21.503 ( -13.534 16.949 2.686) 21.855 22.123 ( 3.417 -9.664 6.106) 11.931 22.175 ( -1.489 -9.953 8.563) 13.214 22.559 ( 11.370 -0.665 2.280) 11.615 22.750 ( -7.845 -2.755 3.775) 9.131 22.808 ( 4.361 -14.043 2.540) 14.922 22.893 ( -4.057 -9.523 3.629) 10.969 23.660 ( 7.504 10.922 8.672) 15.837 23.834 ( -8.859 6.288 11.580) 15.878 23.958 ( 2.368 -3.753 7.561) 8.767 24.037 ( -6.606 -1.831 12.156) 13.956 24.492 ( 3.351 13.807 4.281) 14.839 24.567 ( -3.964 9.814 2.506) 10.877 24.852 ( 4.939 2.543 4.134) 6.924 24.941 ( -2.569 -2.702 4.317) 5.704 24.988 ( 2.536 -2.119 5.735) 6.619 25.040 ( -3.374 1.705 5.137) 6.377 25.289 ( 1.510 -10.083 1.684) 10.333 25.328 ( -2.171 -8.639 4.206) 9.850 26.497 ( 13.005 5.768 -16.004) 21.413 26.587 ( 3.663 4.293 -13.654) 14.774 26.841 ( 2.007 -4.644 -6.391) 8.151 26.933 ( -4.506 -5.596 -12.842) 14.715 27.232 ( 10.597 6.180 11.993) 17.156 27.348 ( 13.561 -0.352 4.078) 14.165 27.476 ( -10.649 2.969 8.876) 14.177 27.637 ( -11.491 -4.982 4.330) 13.251 27.757 ( 15.418 13.587 -0.406) 20.555 28.058 ( -14.302 18.816 3.814) 23.940 28.959 ( 16.403 -39.226 -6.453) 43.004 29.211 ( -9.346 -29.907 -4.080) 31.598 35.056 ( 6.350 2.953 1.808) 7.233 35.126 ( 4.213 -0.011 1.444) 4.453 35.196 ( -7.005 3.857 0.390) 8.006 35.229 ( -5.508 1.155 1.156) 5.745 35.398 ( 0.906 3.431 -3.349) 4.880 35.413 ( 0.641 3.212 -2.803) 4.311 35.428 ( -0.775 5.165 -3.079) 6.063 35.470 ( -3.967 2.762 -0.943) 4.925 36.399 ( 9.298 1.626 -3.812) 10.180 36.418 ( 3.428 2.324 -5.826) 7.148 36.423 ( -0.028 9.300 -11.831) 15.049 36.614 ( -8.740 -0.514 -4.677) 9.926 37.352 ( 17.909 14.289 6.996) 23.955 37.755 ( -22.877 15.199 12.456) 30.159 38.217 ( 11.868 -17.941 -0.642) 21.521 38.481 ( -13.403 -10.886 -1.035) 17.298 39.517 ( 2.594 2.025 -8.043) 8.690 39.540 ( 1.572 1.191 -7.598) 7.850 39.576 ( -3.304 0.583 -6.284) 7.124 39.604 ( -3.812 -0.633 -10.957) 11.619 ======================= Grid point 35 (16/54) ======================= q-point: ( 0.00 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( 0.000 -18.920 15.092) 24.202 2.021 ( 0.000 18.920 15.092) 24.202 2.059 ( 0.000 -20.044 11.699) 23.209 2.059 ( 0.000 20.044 11.699) 23.209 2.485 ( 0.000 -4.385 1.392) 4.601 2.485 ( 0.000 4.385 1.392) 4.601 2.624 ( 0.000 -2.841 4.501) 5.322 2.624 ( 0.000 2.841 4.501) 5.322 2.740 ( 0.000 -3.639 -1.100) 3.801 2.740 ( 0.000 3.639 -1.100) 3.801 2.795 ( 0.000 -12.962 3.703) 13.480 2.795 ( 0.000 12.962 3.703) 13.480 3.067 ( 0.000 -3.627 9.776) 10.427 3.067 ( 0.000 3.627 9.776) 10.427 3.433 ( 0.000 -6.113 28.294) 28.947 3.433 ( 0.000 6.113 28.294) 28.947 4.091 ( 0.000 -30.558 21.431) 37.324 4.091 ( 0.000 30.558 21.431) 37.324 4.419 ( 0.000 -12.212 5.612) 13.439 4.419 ( 0.000 12.212 5.612) 13.439 4.606 ( 0.000 -15.794 19.165) 24.834 4.606 ( 0.000 15.794 19.165) 24.834 5.350 ( 0.000 -3.416 -3.337) 4.776 5.350 ( 0.000 3.416 -3.337) 4.776 5.469 ( 0.000 -7.180 -1.028) 7.253 5.469 ( 0.000 7.180 -1.028) 7.253 5.875 ( 0.000 -9.881 -7.244) 12.252 5.875 ( 0.000 9.881 -7.244) 12.252 6.651 ( 0.000 -32.804 10.062) 34.313 6.651 ( 0.000 32.804 10.062) 34.313 7.064 ( 0.000 -10.136 -1.245) 10.212 7.064 ( 0.000 10.136 -1.245) 10.212 7.911 ( 0.000 -13.673 4.719) 14.464 7.911 ( 0.000 13.673 4.719) 14.464 8.270 ( 0.000 -30.261 -12.391) 32.700 8.270 ( 0.000 30.261 -12.391) 32.700 8.801 ( 0.000 -6.742 0.201) 6.745 8.801 ( 0.000 6.742 0.201) 6.745 8.933 ( 0.000 -16.426 -5.946) 17.469 8.933 ( 0.000 16.426 -5.946) 17.469 9.165 ( 0.000 -3.403 -0.701) 3.475 9.165 ( 0.000 3.403 -0.701) 3.475 9.675 ( 0.000 -1.453 1.932) 2.418 9.675 ( 0.000 1.453 1.932) 2.418 9.799 ( 0.000 -4.659 1.082) 4.783 9.799 ( 0.000 4.659 1.082) 4.783 10.728 ( 0.000 -13.674 -6.409) 15.102 10.728 ( 0.000 13.674 -6.409) 15.102 11.079 ( 0.000 -14.012 6.775) 15.564 11.079 ( 0.000 14.012 6.775) 15.564 11.187 ( 0.000 -0.673 1.698) 1.826 11.187 ( 0.000 0.673 1.698) 1.826 11.494 ( 0.000 -3.094 -2.070) 3.722 11.494 ( 0.000 3.094 -2.070) 3.722 12.152 ( 0.000 -25.324 -5.926) 26.008 12.152 ( 0.000 25.324 -5.926) 26.008 12.290 ( 0.000 -5.788 -8.294) 10.114 12.290 ( 0.000 5.788 -8.294) 10.114 12.394 ( 0.000 -3.131 2.402) 3.947 12.394 ( 0.000 3.131 2.402) 3.947 12.749 ( 0.000 -21.976 -5.289) 22.604 12.749 ( 0.000 21.976 -5.289) 22.604 13.182 ( 0.000 -7.848 -1.261) 7.949 13.182 ( 0.000 7.848 -1.261) 7.949 13.425 ( 0.000 -13.862 -3.331) 14.257 13.425 ( 0.000 13.862 -3.331) 14.257 13.666 ( 0.000 -0.772 5.211) 5.268 13.666 ( 0.000 0.772 5.211) 5.268 13.852 ( 0.000 -3.657 -8.720) 9.456 13.852 ( 0.000 3.657 -8.720) 9.456 14.151 ( 0.000 -5.481 -6.794) 8.729 14.151 ( 0.000 5.481 -6.794) 8.729 14.410 ( 0.000 -2.200 13.954) 14.126 14.410 ( 0.000 2.200 13.954) 14.126 14.739 ( 0.000 -9.396 10.966) 14.441 14.739 ( 0.000 9.396 10.966) 14.441 14.864 ( 0.000 -4.344 -16.118) 16.694 14.864 ( 0.000 4.344 -16.118) 16.694 16.127 ( 0.000 -25.894 12.464) 28.738 16.127 ( 0.000 25.894 12.464) 28.738 16.684 ( 0.000 -0.188 -8.454) 8.456 16.684 ( 0.000 0.188 -8.454) 8.456 17.014 ( 0.000 -0.628 7.027) 7.055 17.014 ( 0.000 0.628 7.027) 7.055 17.999 ( 0.000 -0.794 7.336) 7.379 17.999 ( 0.000 0.794 7.336) 7.379 19.089 ( 0.000 -3.005 -4.980) 5.817 19.089 ( 0.000 3.005 -4.980) 5.817 20.136 ( 0.000 -0.290 -19.463) 19.466 20.136 ( 0.000 0.290 -19.463) 19.466 20.937 ( 0.000 -14.677 -16.763) 22.280 20.937 ( 0.000 14.677 -16.763) 22.280 21.752 ( 0.000 -24.867 12.097) 27.653 21.752 ( 0.000 24.867 12.097) 27.653 22.006 ( 0.000 -4.642 1.924) 5.025 22.006 ( 0.000 4.642 1.924) 5.025 22.296 ( 0.000 -15.774 -3.393) 16.134 22.296 ( 0.000 15.774 -3.393) 16.134 22.901 ( 0.000 -3.772 5.565) 6.722 22.901 ( 0.000 3.772 5.565) 6.722 23.776 ( 0.000 -9.755 6.180) 11.547 23.776 ( 0.000 9.755 6.180) 11.547 24.236 ( 0.000 -16.783 27.351) 32.089 24.236 ( 0.000 16.783 27.351) 32.089 24.743 ( 0.000 -4.362 1.371) 4.572 24.743 ( 0.000 4.362 1.371) 4.572 24.823 ( 0.000 -3.574 5.181) 6.294 24.823 ( 0.000 3.574 5.181) 6.294 24.950 ( 0.000 -13.731 4.006) 14.303 24.950 ( 0.000 13.731 4.006) 14.303 25.257 ( 0.000 -4.936 5.652) 7.504 25.257 ( 0.000 4.936 5.652) 7.504 25.982 ( 0.000 -2.617 -5.237) 5.854 25.982 ( 0.000 2.617 -5.237) 5.854 26.965 ( 0.000 -0.593 0.348) 0.687 26.965 ( 0.000 0.593 0.348) 0.687 27.118 ( 0.000 -6.197 -6.240) 8.794 27.118 ( 0.000 6.197 -6.240) 8.794 27.455 ( 0.000 -7.380 0.342) 7.387 27.455 ( 0.000 7.380 0.342) 7.387 27.790 ( 0.000 -4.683 10.377) 11.385 27.790 ( 0.000 4.683 10.377) 11.385 28.906 ( 0.000 -23.440 1.956) 23.521 28.906 ( 0.000 23.440 1.956) 23.521 34.969 ( 0.000 -3.136 2.825) 4.221 34.969 ( 0.000 3.136 2.825) 4.221 35.351 ( 0.000 -0.933 -1.630) 1.878 35.351 ( 0.000 0.933 -1.630) 1.878 35.399 ( 0.000 -0.295 -3.135) 3.149 35.399 ( 0.000 0.295 -3.135) 3.149 35.700 ( 0.000 -1.012 1.687) 1.967 35.700 ( 0.000 1.012 1.687) 1.967 36.158 ( 0.000 -9.408 -1.946) 9.607 36.158 ( 0.000 9.408 -1.946) 9.607 36.738 ( 0.000 -5.991 -14.401) 15.598 36.738 ( 0.000 5.991 -14.401) 15.598 37.399 ( 0.000 -28.630 1.755) 28.684 37.399 ( 0.000 28.630 1.755) 28.684 38.836 ( 0.000 -8.745 -5.503) 10.332 38.836 ( 0.000 8.745 -5.503) 10.332 39.522 ( 0.000 -2.243 -10.078) 10.325 39.522 ( 0.000 2.243 -10.078) 10.325 39.704 ( 0.000 -2.817 -14.172) 14.449 39.704 ( 0.000 2.817 -14.172) 14.449 ======================= Grid point 37 (17/54) ======================= q-point: ( 0.20 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 6.871 -20.410 10.325) 23.883 2.107 ( 6.871 20.410 10.325) 23.883 2.166 ( 9.180 -20.366 7.368) 23.523 2.166 ( 9.180 20.366 7.368) 23.523 2.480 ( -1.015 -4.325 -0.460) 4.466 2.480 ( -1.015 4.325 -0.460) 4.466 2.596 ( -1.273 -2.713 4.691) 5.566 2.596 ( -1.273 2.713 4.691) 5.566 2.711 ( -2.742 -1.972 1.318) 3.626 2.711 ( -2.742 1.972 1.318) 3.626 2.800 ( 0.082 -6.716 2.150) 7.052 2.800 ( 0.082 6.716 2.150) 7.052 3.292 ( 15.905 -4.969 10.372) 19.628 3.292 ( 15.905 4.969 10.372) 19.628 3.577 ( 12.935 -10.168 23.763) 28.902 3.577 ( 12.935 10.168 23.763) 28.902 4.226 ( 12.165 -28.929 21.573) 38.082 4.226 ( 12.165 28.929 21.573) 38.082 4.276 ( -10.953 -11.351 8.121) 17.741 4.276 ( -10.953 11.351 8.121) 17.741 4.630 ( 2.080 -15.727 23.099) 28.022 4.630 ( 2.080 15.727 23.099) 28.022 5.249 ( -6.698 -5.549 -6.416) 10.808 5.249 ( -6.698 5.549 -6.416) 10.808 5.480 ( 2.317 -5.170 1.457) 5.850 5.480 ( 2.317 5.170 1.457) 5.850 5.941 ( 8.628 -7.601 -5.393) 12.700 5.941 ( 8.628 7.601 -5.393) 12.700 6.703 ( 4.116 -25.695 7.552) 27.096 6.703 ( 4.116 25.695 7.552) 27.096 7.331 ( 21.077 -7.398 -1.238) 22.372 7.331 ( 21.077 7.398 -1.238) 22.372 7.536 ( -28.646 -16.479 3.462) 33.229 7.536 ( -28.646 16.479 3.462) 33.229 8.189 ( -11.852 -21.951 -4.452) 25.340 8.189 ( -11.852 21.951 -4.452) 25.340 8.546 ( -21.329 -23.957 1.841) 32.129 8.546 ( -21.329 23.957 1.841) 32.129 9.024 ( 8.088 -6.261 -10.221) 14.460 9.024 ( 8.088 6.261 -10.221) 14.460 9.243 ( -6.374 -7.146 -1.955) 9.773 9.243 ( -6.374 7.146 -1.955) 9.773 9.510 ( -8.426 -4.173 5.791) 11.043 9.510 ( -8.426 4.173 5.791) 11.043 9.799 ( 7.558 -6.740 -5.516) 11.532 9.799 ( 7.558 6.740 -5.516) 11.532 10.675 ( -5.345 -12.208 -7.224) 15.159 10.675 ( -5.345 12.208 -7.224) 15.159 11.000 ( -5.498 -13.986 3.237) 15.373 11.000 ( -5.498 13.986 3.237) 15.373 11.164 ( -2.784 -3.454 4.019) 5.986 11.164 ( -2.784 3.454 4.019) 5.986 11.736 ( 17.525 -7.922 -2.416) 19.384 11.736 ( 17.525 7.922 -2.416) 19.384 12.113 ( -1.422 -19.767 -3.700) 20.160 12.113 ( -1.422 19.767 -3.700) 20.160 12.391 ( 7.808 -5.969 -6.428) 11.744 12.391 ( 7.808 5.969 -6.428) 11.744 12.473 ( 5.053 -18.982 -0.074) 19.643 12.473 ( 5.053 18.982 -0.074) 19.643 12.812 ( 7.323 -18.955 -2.974) 20.537 12.812 ( 7.323 18.955 -2.974) 20.537 13.091 ( -7.029 -3.279 1.331) 7.869 13.091 ( -7.029 3.279 1.331) 7.869 13.424 ( -4.475 -8.498 -1.383) 9.703 13.424 ( -4.475 8.498 -1.383) 9.703 13.561 ( -5.637 -4.805 1.634) 7.585 13.561 ( -5.637 4.805 1.634) 7.585 13.920 ( 5.670 -4.112 -7.527) 10.281 13.920 ( 5.670 4.112 -7.527) 10.281 14.118 ( -2.648 -7.995 -4.836) 9.711 14.118 ( -2.648 7.995 -4.836) 9.711 14.353 ( -1.135 -3.327 2.350) 4.228 14.353 ( -1.135 3.327 2.350) 4.228 14.712 ( -4.280 -4.638 -7.743) 9.989 14.712 ( -4.280 4.638 -7.743) 9.989 15.179 ( 24.158 -19.915 6.213) 31.919 15.179 ( 24.158 19.915 6.213) 31.919 16.094 ( -3.650 -22.487 13.351) 26.405 16.094 ( -3.650 22.487 13.351) 26.405 16.651 ( -2.540 -0.421 -5.767) 6.316 16.651 ( -2.540 0.421 -5.767) 6.316 16.891 ( -10.042 -1.271 5.200) 11.380 16.891 ( -10.042 1.271 5.200) 11.380 18.174 ( 15.226 -1.508 7.108) 16.871 18.174 ( 15.226 1.508 7.108) 16.871 19.032 ( -5.891 -4.182 -3.655) 8.096 19.032 ( -5.891 4.182 -3.655) 8.096 20.168 ( 3.293 -0.621 -19.064) 19.356 20.168 ( 3.293 0.621 -19.064) 19.356 20.783 ( -13.308 -11.210 -15.094) 23.034 20.783 ( -13.308 11.210 -15.094) 23.034 21.683 ( -1.411 -24.324 8.154) 25.693 21.683 ( -1.411 24.324 8.154) 25.693 22.043 ( -3.740 -7.342 4.478) 9.378 22.043 ( -3.740 7.342 4.478) 9.378 22.385 ( 9.991 -11.797 -2.134) 15.606 22.385 ( 9.991 11.797 -2.134) 15.606 22.864 ( -3.505 -3.394 5.227) 7.150 22.864 ( -3.505 3.394 5.227) 7.150 23.789 ( 1.471 -9.166 6.425) 11.290 23.789 ( 1.471 9.166 6.425) 11.290 24.118 ( -8.902 -9.839 20.696) 24.584 24.118 ( -8.902 9.839 20.696) 24.584 24.755 ( 1.132 -4.761 1.824) 5.223 24.755 ( 1.132 4.761 1.824) 5.223 24.812 ( -0.635 -5.833 5.129) 7.793 24.812 ( -0.635 5.833 5.129) 7.793 24.974 ( 2.555 -12.124 3.564) 12.892 24.974 ( 2.555 12.124 3.564) 12.892 25.231 ( -2.801 -5.976 5.589) 8.648 25.231 ( -2.801 5.976 5.589) 8.648 26.249 ( 20.255 -6.493 -8.653) 22.964 26.249 ( 20.255 6.493 -8.653) 22.964 26.895 ( -2.946 -2.718 -7.728) 8.706 26.895 ( -2.946 2.718 -7.728) 8.706 27.173 ( 3.802 -3.161 2.715) 5.641 27.173 ( 3.802 3.161 2.715) 5.641 27.653 ( 6.094 -6.585 2.405) 9.289 27.653 ( 6.094 6.585 2.405) 9.289 27.809 ( 10.549 -15.339 6.038) 19.571 27.809 ( 10.549 15.339 6.038) 19.571 28.818 ( -8.623 -25.507 2.290) 27.023 28.818 ( -8.623 25.507 2.290) 27.023 35.006 ( 3.586 -2.824 2.529) 5.218 35.006 ( 3.586 2.824 2.529) 5.218 35.323 ( -2.877 -0.823 -1.104) 3.190 35.323 ( -2.877 0.823 -1.104) 3.190 35.411 ( 1.030 -0.515 -2.950) 3.167 35.411 ( 1.030 0.515 -2.950) 3.167 35.610 ( -6.616 -1.895 0.285) 6.888 35.610 ( -6.616 1.895 0.285) 6.888 36.262 ( 8.182 -6.429 -2.232) 10.642 36.262 ( 8.182 6.429 -2.232) 10.642 36.686 ( -4.560 -6.501 -12.173) 14.534 36.686 ( -4.560 6.501 -12.173) 14.534 37.501 ( 9.574 -26.839 1.576) 28.539 37.501 ( 9.574 26.839 1.576) 28.539 38.603 ( -20.314 -10.847 -2.998) 23.223 38.603 ( -20.314 10.847 -2.998) 23.223 39.529 ( 0.637 -1.182 -8.881) 8.982 39.529 ( 0.637 1.182 -8.881) 8.982 39.657 ( -3.601 -1.650 -10.548) 11.267 39.657 ( -3.601 1.650 -10.548) 11.267 ======================= Grid point 39 (18/54) ======================= q-point: ( 0.40 -0.50 0.09) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.266 ( 8.180 -10.658 4.045) 14.031 2.266 ( 8.180 10.658 4.045) 14.031 2.335 ( 5.343 -8.000 1.222) 9.698 2.335 ( 5.343 8.000 1.222) 9.698 2.435 ( -2.064 -4.887 -0.418) 5.321 2.435 ( -2.064 4.887 -0.418) 5.321 2.525 ( -6.912 -1.546 3.983) 8.126 2.525 ( -6.912 1.546 3.983) 8.126 2.711 ( 3.440 -2.106 3.664) 5.449 2.711 ( 3.440 2.106 3.664) 5.449 2.779 ( -2.385 -3.189 1.691) 4.326 2.779 ( -2.385 3.189 1.691) 4.326 3.607 ( 14.764 -9.154 15.746) 23.445 3.607 ( 14.764 9.154 15.746) 23.445 3.760 ( 2.329 -18.821 12.944) 22.961 3.760 ( 2.329 18.821 12.944) 22.961 4.067 ( -3.622 -7.153 11.094) 13.688 4.067 ( -3.622 7.153 11.094) 13.688 4.246 ( -14.065 -8.936 23.633) 28.918 4.246 ( -14.065 8.936 23.633) 28.918 4.893 ( 19.982 -9.758 11.572) 25.068 4.893 ( 19.982 9.758 11.572) 25.068 5.152 ( -6.444 -3.874 -1.258) 7.623 5.152 ( -6.444 3.874 -1.258) 7.623 5.760 ( 30.897 -13.603 5.452) 34.196 5.760 ( 30.897 13.603 5.452) 34.196 6.209 ( 10.998 -12.880 -3.687) 17.333 6.209 ( 10.998 12.880 -3.687) 17.333 6.644 ( -13.330 -11.178 8.360) 19.301 6.644 ( -13.330 11.178 8.360) 19.301 6.856 ( -31.589 -9.369 12.680) 35.304 6.856 ( -31.589 9.369 12.680) 35.304 7.732 ( 12.735 -12.406 -7.587) 19.330 7.732 ( 12.735 12.406 -7.587) 19.330 7.980 ( -10.167 -15.972 0.194) 18.935 7.980 ( -10.167 15.972 0.194) 18.935 8.233 ( 5.726 -14.159 -0.983) 15.304 8.233 ( 5.726 14.159 -0.983) 15.304 8.705 ( -29.615 -5.751 2.727) 30.291 8.705 ( -29.615 5.751 2.727) 30.291 9.288 ( 10.910 -8.415 -9.656) 16.825 9.288 ( 10.910 8.415 -9.656) 16.825 9.465 ( -5.317 -7.673 -2.239) 9.600 9.465 ( -5.317 7.673 -2.239) 9.600 10.091 ( 19.379 -12.004 -8.690) 24.396 10.091 ( 19.379 12.004 -8.690) 24.396 10.467 ( -15.761 -12.331 -7.869) 21.503 10.467 ( -15.761 12.331 -7.869) 21.503 10.962 ( 2.690 -7.423 3.313) 8.563 10.962 ( 2.690 7.423 3.313) 8.563 11.067 ( -6.197 -5.964 5.031) 9.964 11.067 ( -6.197 5.964 5.031) 9.964 12.026 ( 9.487 -4.043 -3.452) 10.875 12.026 ( 9.487 4.043 -3.452) 10.875 12.112 ( -0.201 -6.476 -2.389) 6.906 12.112 ( -0.201 6.476 -2.389) 6.906 12.516 ( 3.057 -6.096 -2.170) 7.156 12.516 ( 3.057 6.096 -2.170) 7.156 12.543 ( 1.774 -7.150 -0.977) 7.431 12.543 ( 1.774 7.150 -0.977) 7.431 12.961 ( 3.437 -7.400 -1.737) 8.342 12.961 ( 3.437 7.400 -1.737) 8.342 13.031 ( 1.586 -12.650 -3.154) 13.133 13.031 ( 1.586 12.650 -3.154) 13.133 13.294 ( -0.953 -8.604 2.673) 9.059 13.294 ( -0.953 8.604 2.673) 9.059 13.440 ( -8.737 -2.966 4.366) 10.207 13.440 ( -8.737 2.966 4.366) 10.207 14.019 ( 3.560 -5.390 -3.697) 7.442 14.019 ( 3.560 5.390 -3.697) 7.442 14.076 ( -2.036 -6.900 -5.793) 9.236 14.076 ( -2.036 6.900 -5.793) 9.236 14.413 ( 7.029 -4.042 -8.616) 11.832 14.413 ( 7.029 4.042 -8.616) 11.832 14.582 ( -8.212 -4.304 -11.992) 15.158 14.582 ( -8.212 4.304 -11.992) 15.158 15.643 ( 20.019 -21.249 12.169) 31.629 15.643 ( 20.019 21.249 12.169) 31.629 15.956 ( -10.786 -18.095 14.504) 25.576 15.956 ( -10.786 18.095 14.504) 25.576 16.621 ( 0.503 -1.175 -1.785) 2.195 16.621 ( 0.503 1.175 -1.785) 2.195 16.698 ( -7.390 -2.834 1.641) 8.083 16.698 ( -7.390 2.834 1.641) 8.083 18.525 ( 17.846 -0.837 4.629) 18.456 18.525 ( 17.846 0.837 4.629) 18.456 18.843 ( -12.882 -2.560 0.196) 13.135 18.843 ( -12.882 2.560 0.196) 13.135 20.279 ( 7.982 -3.348 -17.692) 19.696 20.279 ( 7.982 3.348 -17.692) 19.696 20.496 ( -13.369 -7.375 -15.447) 21.719 20.496 ( -13.369 7.375 -15.447) 21.719 21.734 ( 5.835 -23.378 5.723) 24.766 21.734 ( 5.835 23.378 5.723) 24.766 21.891 ( -8.995 -18.122 4.919) 20.821 21.891 ( -8.995 18.122 4.919) 20.821 22.600 ( 9.721 -5.596 1.476) 11.314 22.600 ( 9.721 5.596 1.476) 11.314 22.763 ( -6.499 -3.615 3.846) 8.372 22.763 ( -6.499 3.615 3.846) 8.372 23.844 ( 4.122 -7.209 7.844) 11.423 23.844 ( 4.122 7.209 7.844) 11.423 23.955 ( -6.809 -5.403 12.131) 14.924 23.955 ( -6.809 5.403 12.131) 14.924 24.781 ( 1.241 -7.106 3.216) 7.898 24.781 ( 1.241 7.106 3.216) 7.898 24.800 ( -0.671 -7.754 4.540) 9.010 24.800 ( -0.671 7.754 4.540) 9.010 25.050 ( 4.668 -9.941 3.712) 11.593 25.050 ( 4.668 9.941 3.712) 11.593 25.150 ( -4.874 -7.987 4.582) 10.418 25.150 ( -4.874 7.987 4.582) 10.418 26.611 ( 14.221 -3.808 -12.023) 19.008 26.611 ( 14.221 3.808 -12.023) 19.008 26.819 ( -6.478 -4.006 -12.886) 14.968 26.819 ( -6.478 4.006 -12.886) 14.968 27.320 ( 10.990 -2.562 6.714) 13.131 27.320 ( 10.990 2.562 6.714) 13.131 27.549 ( -10.007 -3.964 5.925) 12.286 27.549 ( -10.007 3.964 5.925) 12.286 28.205 ( 20.579 -29.901 1.177) 36.318 28.205 ( 20.579 29.901 1.177) 36.318 28.571 ( -15.479 -29.417 2.295) 33.320 28.571 ( -15.479 29.417 2.295) 33.320 35.105 ( 6.008 -1.877 1.777) 6.541 35.105 ( 6.008 1.877 1.777) 6.541 35.232 ( -5.949 -0.824 0.560) 6.032 35.232 ( -5.949 0.824 0.560) 6.032 35.440 ( 1.985 -0.679 -2.703) 3.422 35.440 ( 1.985 0.679 -2.703) 3.422 35.498 ( -4.041 -1.180 -1.810) 4.582 35.498 ( -4.041 1.180 -1.810) 4.582 36.430 ( 7.934 -1.048 -4.479) 9.171 36.430 ( 7.934 1.048 -4.479) 9.171 36.574 ( -6.358 -4.292 -8.168) 11.206 36.574 ( -6.358 4.292 -8.168) 11.206 37.764 ( 16.268 -24.180 2.137) 29.221 37.764 ( 16.268 24.180 2.137) 29.221 38.153 ( -21.940 -20.490 1.359) 30.051 38.153 ( -21.940 20.490 1.359) 30.051 39.548 ( 1.398 -0.685 -7.625) 7.782 39.548 ( 1.398 0.685 -7.625) 7.782 39.590 ( -2.758 -0.738 -7.766) 8.274 39.590 ( -2.758 0.738 -7.766) 8.274 ======================= Grid point 50 (19/54) ======================= q-point: ( 0.00 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.000 0.000 43.586) 43.586 1.814 ( 0.000 0.000 35.941) 35.941 2.259 ( 0.000 0.000 0.235) 0.235 2.291 ( 0.000 0.000 -1.115) 1.115 2.516 ( 0.000 0.000 19.233) 19.233 2.565 ( 0.000 0.000 -3.100) 3.100 2.581 ( 0.000 0.000 1.113) 1.113 2.679 ( 0.000 0.000 0.231) 0.231 2.715 ( 0.000 0.000 4.235) 4.235 2.772 ( 0.000 0.000 0.099) 0.099 2.774 ( 0.000 0.000 -2.066) 2.066 2.908 ( 0.000 0.000 -3.689) 3.689 3.291 ( 0.000 0.000 15.879) 15.879 3.327 ( 0.000 0.000 1.916) 1.916 4.007 ( 0.000 0.000 48.357) 48.357 4.132 ( 0.000 0.000 -7.050) 7.050 4.215 ( 0.000 0.000 30.225) 30.225 4.514 ( 0.000 0.000 8.548) 8.548 4.775 ( 0.000 0.000 -10.621) 10.621 4.886 ( 0.000 0.000 -7.873) 7.873 4.954 ( 0.000 0.000 20.430) 20.430 5.234 ( 0.000 0.000 5.938) 5.938 5.317 ( 0.000 0.000 50.045) 50.045 5.327 ( 0.000 0.000 8.106) 8.106 5.369 ( 0.000 0.000 33.430) 33.430 5.585 ( 0.000 0.000 -11.263) 11.263 5.902 ( 0.000 0.000 10.346) 10.346 6.449 ( 0.000 0.000 17.884) 17.884 6.568 ( 0.000 0.000 6.318) 6.318 6.723 ( 0.000 0.000 12.697) 12.697 6.749 ( 0.000 0.000 26.755) 26.755 7.201 ( 0.000 0.000 -5.261) 5.261 7.578 ( 0.000 0.000 -2.997) 2.997 7.791 ( 0.000 0.000 12.443) 12.443 8.043 ( 0.000 0.000 -16.716) 16.716 8.519 ( 0.000 0.000 2.662) 2.662 8.535 ( 0.000 0.000 -11.651) 11.651 8.864 ( 0.000 0.000 0.556) 0.556 9.089 ( 0.000 0.000 1.888) 1.888 9.121 ( 0.000 0.000 -12.811) 12.811 9.360 ( 0.000 0.000 -11.624) 11.624 9.585 ( 0.000 0.000 -1.613) 1.613 9.739 ( 0.000 0.000 4.323) 4.323 9.915 ( 0.000 0.000 12.923) 12.923 9.985 ( 0.000 0.000 1.731) 1.731 10.034 ( 0.000 0.000 -8.857) 8.857 10.082 ( 0.000 0.000 -0.968) 0.968 10.536 ( 0.000 0.000 1.995) 1.995 10.737 ( 0.000 0.000 -18.149) 18.149 10.816 ( 0.000 0.000 1.421) 1.421 11.050 ( 0.000 0.000 2.261) 2.261 11.327 ( 0.000 0.000 7.302) 7.302 11.695 ( 0.000 0.000 18.649) 18.649 11.696 ( 0.000 0.000 4.109) 4.109 11.737 ( 0.000 0.000 -0.878) 0.878 11.776 ( 0.000 0.000 -2.259) 2.259 12.070 ( 0.000 0.000 -13.064) 13.064 12.075 ( 0.000 0.000 -3.380) 3.380 12.106 ( 0.000 0.000 -0.621) 0.621 12.672 ( 0.000 0.000 -15.863) 15.863 12.753 ( 0.000 0.000 -1.280) 1.280 13.024 ( 0.000 0.000 -3.287) 3.287 13.200 ( 0.000 0.000 -13.338) 13.338 13.312 ( 0.000 0.000 -10.501) 10.501 13.328 ( 0.000 0.000 -14.212) 14.212 13.414 ( 0.000 0.000 -2.570) 2.570 13.527 ( 0.000 0.000 -20.205) 20.205 13.592 ( 0.000 0.000 -0.767) 0.767 13.794 ( 0.000 0.000 4.723) 4.723 13.984 ( 0.000 0.000 -15.773) 15.773 13.987 ( 0.000 0.000 -4.303) 4.303 14.072 ( 0.000 0.000 -6.514) 6.514 14.268 ( 0.000 0.000 -3.422) 3.422 14.425 ( 0.000 0.000 5.025) 5.025 14.511 ( 0.000 0.000 -0.607) 0.607 14.528 ( 0.000 0.000 -8.331) 8.331 15.023 ( 0.000 0.000 22.439) 22.439 15.161 ( 0.000 0.000 7.247) 7.247 15.903 ( 0.000 0.000 12.908) 12.908 16.200 ( 0.000 0.000 -6.137) 6.137 16.514 ( 0.000 0.000 8.238) 8.238 16.765 ( 0.000 0.000 -7.554) 7.554 17.207 ( 0.000 0.000 8.894) 8.894 17.351 ( 0.000 0.000 10.796) 10.796 18.022 ( 0.000 0.000 1.699) 1.699 18.241 ( 0.000 0.000 16.049) 16.049 18.795 ( 0.000 0.000 -29.245) 29.245 18.919 ( 0.000 0.000 -2.631) 2.631 19.717 ( 0.000 0.000 -26.906) 26.906 19.837 ( 0.000 0.000 -12.943) 12.943 20.513 ( 0.000 0.000 -12.380) 12.380 21.157 ( 0.000 0.000 2.305) 2.305 21.210 ( 0.000 0.000 -15.934) 15.934 21.622 ( 0.000 0.000 -5.564) 5.564 21.935 ( 0.000 0.000 4.442) 4.442 22.222 ( 0.000 0.000 6.076) 6.076 22.567 ( 0.000 0.000 11.270) 11.270 23.129 ( 0.000 0.000 6.102) 6.102 23.174 ( 0.000 0.000 3.396) 3.396 23.192 ( 0.000 0.000 3.552) 3.552 23.432 ( 0.000 0.000 13.914) 13.914 23.993 ( 0.000 0.000 2.018) 2.018 24.096 ( 0.000 0.000 10.233) 10.233 24.400 ( 0.000 0.000 17.074) 17.074 24.677 ( 0.000 0.000 0.938) 0.938 24.827 ( 0.000 0.000 7.258) 7.258 25.030 ( 0.000 0.000 4.342) 4.342 25.068 ( 0.000 0.000 7.014) 7.014 25.220 ( 0.000 0.000 6.335) 6.335 25.332 ( 0.000 0.000 -0.606) 0.606 25.506 ( 0.000 0.000 5.072) 5.072 25.722 ( 0.000 0.000 -10.901) 10.901 25.953 ( 0.000 0.000 -5.145) 5.145 26.219 ( 0.000 0.000 -4.287) 4.287 26.266 ( 0.000 0.000 -13.495) 13.495 27.004 ( 0.000 0.000 -15.397) 15.397 27.054 ( 0.000 0.000 7.362) 7.362 27.168 ( 0.000 0.000 13.023) 13.023 27.367 ( 0.000 0.000 15.208) 15.208 27.765 ( 0.000 0.000 9.792) 9.792 27.913 ( 0.000 0.000 11.762) 11.762 28.342 ( 0.000 0.000 3.768) 3.768 28.639 ( 0.000 0.000 -0.647) 0.647 29.436 ( 0.000 0.000 -10.876) 10.876 34.988 ( 0.000 0.000 5.838) 5.838 35.074 ( 0.000 0.000 -0.027) 0.027 35.104 ( 0.000 0.000 1.214) 1.214 35.276 ( 0.000 0.000 -2.066) 2.066 35.298 ( 0.000 0.000 -1.974) 1.974 35.308 ( 0.000 0.000 -2.927) 2.927 35.371 ( 0.000 0.000 -1.516) 1.516 35.757 ( 0.000 0.000 3.648) 3.648 35.779 ( 0.000 0.000 3.407) 3.407 35.902 ( 0.000 0.000 -1.901) 1.901 36.411 ( 0.000 0.000 -2.162) 2.162 36.671 ( 0.000 0.000 -8.579) 8.579 36.888 ( 0.000 0.000 12.803) 12.803 38.176 ( 0.000 0.000 -2.102) 2.102 38.783 ( 0.000 0.000 1.302) 1.302 38.875 ( 0.000 0.000 -10.891) 10.891 38.878 ( 0.000 0.000 -14.482) 14.482 39.220 ( 0.000 0.000 -9.773) 9.773 39.309 ( 0.000 0.000 -13.716) 13.716 39.536 ( 0.000 0.000 -8.864) 8.864 ======================= Grid point 51 (20/54) ======================= q-point: ( 0.20 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 5.935 0.000 19.376) 20.264 1.920 ( 18.972 0.000 36.163) 40.838 2.286 ( -1.060 0.000 -1.824) 2.110 2.332 ( 5.832 0.000 3.777) 6.948 2.533 ( -2.211 0.000 -1.400) 2.617 2.588 ( 0.608 0.000 1.010) 1.179 2.612 ( 5.256 0.000 7.502) 9.160 2.667 ( -0.899 0.000 -0.138) 0.910 2.723 ( 0.986 0.000 5.469) 5.557 2.778 ( 0.322 0.000 -1.174) 1.218 2.780 ( 0.773 0.000 -0.269) 0.818 2.889 ( -1.597 0.000 -2.772) 3.199 3.304 ( -1.504 0.000 4.010) 4.283 3.483 ( 17.701 0.000 16.853) 24.441 4.063 ( 5.438 0.000 22.924) 23.561 4.116 ( -9.860 0.000 17.280) 19.895 4.264 ( 11.335 0.000 14.375) 18.306 4.664 ( -9.394 0.000 -8.604) 12.739 4.755 ( 10.853 0.000 23.137) 25.556 4.930 ( 6.569 0.000 1.437) 6.724 5.072 ( 7.519 0.000 13.460) 15.417 5.221 ( -10.933 0.000 12.659) 16.727 5.277 ( -4.056 0.000 31.242) 31.504 5.341 ( 17.726 0.000 28.401) 33.479 5.408 ( -0.530 0.000 11.384) 11.396 5.493 ( 6.386 0.000 7.190) 9.617 6.047 ( 14.853 0.000 11.778) 18.956 6.325 ( -12.586 0.000 17.461) 21.525 6.602 ( 3.917 0.000 8.776) 9.611 6.757 ( -0.730 0.000 27.265) 27.275 6.907 ( 13.229 0.000 2.179) 13.407 7.303 ( 8.798 0.000 -8.445) 12.195 7.359 ( -11.295 0.000 6.665) 13.115 7.759 ( -11.834 0.000 14.214) 18.496 7.801 ( -21.627 0.000 -4.896) 22.174 8.539 ( -4.118 0.000 5.855) 7.159 8.589 ( 3.780 0.000 -12.253) 12.823 8.639 ( -22.578 0.000 -8.057) 23.972 9.028 ( 8.045 0.000 -3.246) 8.675 9.199 ( -1.187 0.000 1.754) 2.117 9.262 ( -21.992 0.000 -4.932) 22.538 9.382 ( -23.989 0.000 2.096) 24.080 9.447 ( 5.828 0.000 -14.740) 15.850 9.775 ( -12.443 0.000 3.787) 13.007 9.867 ( 5.027 0.000 -6.533) 8.243 10.213 ( 3.350 0.000 -9.507) 10.080 10.342 ( 14.457 0.000 3.124) 14.790 10.539 ( -0.311 0.000 2.413) 2.433 10.599 ( -12.907 0.000 -17.397) 21.662 10.780 ( -2.666 0.000 1.206) 2.926 11.186 ( 11.869 0.000 -2.216) 12.074 11.383 ( 5.859 0.000 13.305) 14.538 11.668 ( -2.037 0.000 1.717) 2.665 11.709 ( 1.588 0.000 16.815) 16.890 11.718 ( -5.113 0.000 -2.183) 5.559 11.904 ( 11.562 0.000 -3.066) 11.962 12.050 ( -0.120 0.000 -10.944) 10.944 12.248 ( 13.026 0.000 2.237) 13.217 12.266 ( 13.484 0.000 -2.854) 13.782 12.653 ( -7.866 0.000 -4.383) 9.004 12.823 ( 12.628 0.000 -11.062) 16.787 12.912 ( -5.642 0.000 -3.811) 6.809 13.175 ( -4.135 0.000 -10.665) 11.438 13.244 ( -8.181 0.000 -8.410) 11.733 13.320 ( -5.722 0.000 -1.928) 6.038 13.384 ( -7.892 0.000 -6.139) 9.999 13.468 ( 9.550 0.000 -10.549) 14.229 13.529 ( -6.019 0.000 -21.496) 22.323 13.786 ( -2.751 0.000 -3.856) 4.736 13.886 ( 2.590 0.000 2.207) 3.403 13.961 ( -9.599 0.000 -9.324) 13.382 14.169 ( 3.966 0.000 -14.691) 15.217 14.358 ( -4.553 0.000 2.954) 5.427 14.367 ( 5.686 0.000 -1.960) 6.015 14.447 ( 1.933 0.000 3.794) 4.258 14.523 ( -1.165 0.000 -5.776) 5.892 15.170 ( 14.314 0.000 23.533) 27.544 15.521 ( 21.282 0.000 2.358) 21.412 15.904 ( -0.194 0.000 9.236) 9.238 16.282 ( 9.338 0.000 -4.654) 10.434 16.392 ( -12.564 0.000 14.757) 19.381 16.783 ( 1.695 0.000 -7.030) 7.231 17.067 ( -9.725 0.000 2.586) 10.063 17.209 ( -11.847 0.000 7.977) 14.282 18.188 ( 13.686 0.000 0.990) 13.722 18.428 ( 14.421 0.000 13.081) 19.470 18.781 ( -1.718 0.000 -27.107) 27.162 18.908 ( -1.324 0.000 -0.825) 1.560 19.787 ( 7.762 0.000 -25.965) 27.101 19.841 ( 0.823 0.000 -14.182) 14.205 20.440 ( -9.666 0.000 -9.700) 13.694 20.977 ( -19.722 0.000 -14.172) 24.286 21.031 ( -4.955 0.000 -0.660) 4.999 21.557 ( -8.685 0.000 -3.104) 9.223 22.073 ( 10.565 0.000 3.060) 10.999 22.368 ( 13.081 0.000 5.230) 14.088 22.542 ( -2.724 0.000 10.303) 10.657 23.103 ( -7.938 0.000 4.716) 9.233 23.114 ( -0.829 0.000 4.738) 4.810 23.170 ( -0.744 0.000 5.081) 5.135 23.509 ( 7.292 0.000 12.899) 14.817 24.022 ( 1.195 0.000 2.236) 2.535 24.123 ( 2.525 0.000 10.779) 11.071 24.354 ( -3.826 0.000 16.015) 16.466 24.613 ( -5.189 0.000 1.993) 5.558 24.855 ( 2.654 0.000 7.459) 7.917 24.973 ( -20.255 0.000 10.163) 22.662 25.086 ( 2.939 0.000 5.453) 6.195 25.167 ( -4.859 0.000 6.563) 8.166 25.178 ( -4.826 0.000 10.298) 11.373 25.422 ( -1.266 0.000 3.833) 4.037 25.654 ( -8.422 0.000 11.227) 14.035 25.858 ( 11.605 0.000 -13.268) 17.627 26.251 ( -1.142 0.000 -14.467) 14.512 26.508 ( 12.199 0.000 -19.785) 23.243 26.875 ( -8.493 0.000 -8.670) 12.137 27.166 ( 10.027 0.000 6.774) 12.101 27.243 ( 7.580 0.000 14.275) 16.163 27.354 ( 8.658 0.000 5.486) 10.250 27.844 ( -6.625 0.000 11.735) 13.476 27.973 ( 3.134 0.000 8.178) 8.758 28.218 ( -11.868 0.000 5.114) 12.923 28.832 ( 15.910 0.000 -12.454) 20.205 29.447 ( -0.389 0.000 -10.889) 10.896 35.000 ( 1.228 0.000 3.927) 4.115 35.088 ( 0.429 0.000 0.208) 0.477 35.113 ( 1.606 0.000 2.102) 2.645 35.277 ( 0.159 0.000 -2.170) 2.176 35.278 ( -1.337 0.000 -1.699) 2.162 35.327 ( 1.289 0.000 -2.410) 2.733 35.335 ( -2.101 0.000 -1.384) 2.516 35.596 ( -9.253 0.000 2.494) 9.584 35.943 ( 11.978 0.000 -2.516) 12.239 36.093 ( 12.145 0.000 -1.548) 12.243 36.369 ( -3.552 0.000 -2.223) 4.190 36.633 ( -3.801 0.000 -7.862) 8.733 37.042 ( 14.193 0.000 11.186) 18.071 38.232 ( 5.358 0.000 -2.225) 5.801 38.356 ( -26.552 0.000 0.673) 26.560 38.726 ( -5.562 0.000 0.199) 5.566 39.178 ( 6.196 0.000 -16.178) 17.324 39.268 ( 4.772 0.000 -14.476) 15.242 39.319 ( 1.090 0.000 -12.381) 12.429 39.500 ( -3.267 0.000 -8.610) 9.209 ======================= Grid point 52 (21/54) ======================= q-point: ( 0.40 0.00 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.031 ( 8.969 0.000 2.071) 9.205 2.204 ( -7.214 0.000 -2.987) 7.809 2.364 ( 20.341 0.000 17.917) 27.106 2.458 ( 5.582 0.000 3.524) 6.601 2.513 ( -0.183 0.000 1.187) 1.201 2.584 ( -2.631 0.000 2.574) 3.681 2.625 ( -0.881 0.000 0.485) 1.006 2.644 ( -2.143 0.000 0.849) 2.305 2.767 ( 1.982 0.000 3.061) 3.647 2.784 ( 0.023 0.000 0.303) 0.304 2.802 ( 1.525 0.000 -0.596) 1.638 2.848 ( -2.529 0.000 -1.107) 2.760 3.344 ( 8.726 0.000 12.644) 15.363 3.726 ( -25.526 0.000 19.187) 31.932 3.907 ( 22.285 0.000 19.016) 29.295 4.215 ( 6.339 0.000 4.732) 7.910 4.333 ( -8.578 0.000 12.957) 15.540 4.446 ( -9.329 0.000 -1.315) 9.421 4.864 ( 7.442 0.000 23.391) 24.546 5.014 ( -0.887 0.000 5.312) 5.385 5.053 ( -9.398 0.000 11.916) 15.176 5.083 ( -5.631 0.000 -12.263) 13.494 5.486 ( 22.054 0.000 32.633) 39.386 5.509 ( 22.667 0.000 27.813) 35.880 5.733 ( 4.515 0.000 25.599) 25.994 5.967 ( -20.608 0.000 18.142) 27.456 5.971 ( 34.565 0.000 26.340) 43.457 6.420 ( 7.585 0.000 19.455) 20.881 6.682 ( 3.924 0.000 15.600) 16.086 6.711 ( 8.727 0.000 7.061) 11.226 7.024 ( -7.793 0.000 15.108) 17.000 7.196 ( -29.756 0.000 6.584) 30.476 7.270 ( -2.616 0.000 5.017) 5.658 7.321 ( -19.418 0.000 4.827) 20.009 7.641 ( 20.147 0.000 -8.815) 21.991 8.218 ( 5.302 0.000 7.098) 8.860 8.247 ( -35.977 0.000 -4.949) 36.315 8.614 ( -19.744 0.000 -4.407) 20.230 8.955 ( 0.597 0.000 -0.075) 0.602 9.014 ( 12.517 0.000 0.873) 12.547 9.083 ( -4.322 0.000 -5.642) 7.107 9.303 ( -9.511 0.000 -2.257) 9.775 9.575 ( 4.991 0.000 -14.885) 15.699 9.614 ( 1.648 0.000 -15.855) 15.940 10.098 ( 14.891 0.000 -8.062) 16.933 10.201 ( -0.977 0.000 -11.810) 11.850 10.314 ( -12.438 0.000 -15.174) 19.621 10.359 ( -9.256 0.000 -4.516) 10.299 10.642 ( 6.457 0.000 4.461) 7.848 10.727 ( -2.867 0.000 2.896) 4.075 11.424 ( 8.930 0.000 3.606) 9.630 11.494 ( 2.264 0.000 13.495) 13.683 11.605 ( -2.627 0.000 -1.097) 2.847 11.619 ( -3.148 0.000 0.604) 3.206 11.792 ( 8.290 0.000 8.995) 12.232 11.986 ( -7.415 0.000 -3.673) 8.275 12.138 ( 11.333 0.000 -7.699) 13.701 12.355 ( -8.640 0.000 -6.875) 11.041 12.560 ( 14.970 0.000 0.473) 14.977 12.677 ( 14.393 0.000 1.828) 14.508 12.856 ( -13.010 0.000 1.396) 13.085 12.877 ( -1.440 0.000 0.618) 1.567 13.069 ( -5.444 0.000 -7.646) 9.386 13.150 ( -9.822 0.000 1.717) 9.971 13.194 ( 9.716 0.000 -8.218) 12.726 13.357 ( -3.909 0.000 -18.377) 18.788 13.433 ( 6.111 0.000 -24.683) 25.429 13.656 ( 7.412 0.000 -9.346) 11.928 13.707 ( -14.969 0.000 -13.833) 20.382 13.745 ( -1.988 0.000 -8.057) 8.298 13.974 ( 5.144 0.000 2.889) 5.900 14.094 ( -6.576 0.000 -2.989) 7.223 14.412 ( 4.709 0.000 -6.458) 7.993 14.445 ( 2.516 0.000 0.298) 2.533 14.473 ( -0.040 0.000 1.013) 1.014 14.485 ( -2.642 0.000 -6.339) 6.868 15.558 ( 22.618 0.000 23.770) 32.812 15.793 ( 7.046 0.000 7.357) 10.187 15.880 ( -2.442 0.000 6.786) 7.212 16.025 ( -22.283 0.000 22.127) 31.402 16.578 ( 17.818 0.000 -2.631) 18.011 16.831 ( 3.135 0.000 -5.958) 6.732 16.914 ( -5.383 0.000 -4.184) 6.817 16.925 ( -15.909 0.000 2.853) 16.163 18.483 ( 13.921 0.000 -5.922) 15.129 18.693 ( 10.555 0.000 5.716) 12.003 18.700 ( -7.106 0.000 -18.533) 19.849 18.848 ( -5.055 0.000 1.627) 5.310 19.907 ( 6.865 0.000 -13.567) 15.205 20.061 ( 19.256 0.000 -20.319) 27.994 20.143 ( -15.894 0.000 -9.137) 18.333 20.517 ( -24.296 0.000 -15.020) 28.564 21.085 ( 8.688 0.000 -2.284) 8.983 21.317 ( -13.149 0.000 -1.645) 13.251 22.284 ( 9.659 0.000 4.163) 10.518 22.449 ( -6.490 0.000 7.332) 9.792 22.655 ( 13.835 0.000 4.877) 14.669 22.906 ( -11.165 0.000 5.373) 12.390 23.113 ( 0.903 0.000 4.962) 5.044 23.143 ( -1.704 0.000 5.775) 6.021 23.707 ( 11.938 0.000 11.563) 16.620 23.949 ( -9.677 0.000 7.260) 12.097 24.189 ( 3.810 0.000 12.316) 12.892 24.271 ( -4.211 0.000 14.251) 14.860 24.519 ( -2.513 0.000 6.452) 6.924 24.579 ( -10.019 0.000 13.110) 16.500 24.931 ( 4.900 0.000 7.285) 8.780 25.048 ( -6.357 0.000 6.922) 9.398 25.161 ( 3.353 0.000 7.914) 8.595 25.191 ( 0.604 0.000 8.199) 8.221 25.444 ( 2.791 0.000 3.642) 4.589 25.529 ( -5.317 0.000 6.834) 8.659 26.092 ( 9.611 0.000 -17.053) 19.575 26.216 ( -3.091 0.000 -16.828) 17.110 26.676 ( 5.441 0.000 -17.826) 18.638 26.761 ( -3.805 0.000 -12.434) 13.004 27.398 ( 11.711 0.000 9.502) 15.081 27.477 ( 13.506 0.000 11.676) 17.853 27.613 ( 14.410 0.000 2.374) 14.604 27.675 ( -7.531 0.000 11.938) 14.115 27.874 ( -10.400 0.000 5.190) 11.623 27.897 ( -18.625 0.000 8.678) 20.547 29.136 ( 13.450 0.000 -14.167) 19.534 29.363 ( -8.285 0.000 -11.692) 14.329 35.035 ( 2.039 0.000 1.004) 2.273 35.073 ( -1.536 0.000 -0.082) 1.538 35.173 ( 3.673 0.000 3.120) 4.820 35.240 ( -2.655 0.000 0.732) 2.754 35.285 ( 0.635 0.000 -2.314) 2.399 35.303 ( -1.156 0.000 -2.077) 2.377 35.362 ( 2.433 0.000 -1.378) 2.796 35.441 ( -5.790 0.000 1.166) 5.906 36.152 ( 8.171 0.000 -4.693) 9.423 36.282 ( -5.124 0.000 -3.289) 6.089 36.330 ( 10.878 0.000 -3.537) 11.439 36.518 ( -7.606 0.000 -5.960) 9.663 37.405 ( 20.600 0.000 8.556) 22.306 37.850 ( -23.481 0.000 6.606) 24.393 38.381 ( 9.011 0.000 -2.261) 9.290 38.572 ( -9.203 0.000 -1.524) 9.328 39.256 ( 3.325 0.000 -13.886) 14.279 39.309 ( -1.143 0.000 -16.224) 16.264 39.356 ( 2.618 0.000 -9.998) 10.335 39.423 ( -3.907 0.000 -8.639) 9.481 ======================= Grid point 55 (22/54) ======================= q-point: ( 0.00 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 0.000 16.481 26.983) 31.618 1.997 ( 0.000 15.624 27.510) 31.637 2.317 ( 0.000 3.934 2.313) 4.563 2.346 ( 0.000 4.571 1.367) 4.771 2.494 ( 0.000 -7.049 -2.854) 7.604 2.560 ( 0.000 -0.579 1.644) 1.743 2.625 ( 0.000 6.586 6.721) 9.410 2.680 ( 0.000 0.146 0.459) 0.481 2.737 ( 0.000 -1.876 1.476) 2.387 2.753 ( 0.000 3.820 5.790) 6.937 2.761 ( 0.000 -1.799 -1.881) 2.603 2.887 ( 0.000 -1.768 -2.280) 2.885 3.306 ( 0.000 2.187 19.389) 19.512 3.495 ( 0.000 17.761 6.252) 18.829 3.788 ( 0.000 -17.776 33.342) 37.785 4.027 ( 0.000 -0.648 12.301) 12.318 4.266 ( 0.000 6.820 46.956) 47.449 4.681 ( 0.000 -16.643 12.210) 20.642 4.779 ( 0.000 -5.040 -10.329) 11.493 4.928 ( 0.000 12.572 -7.345) 14.561 4.983 ( 0.000 5.357 14.582) 15.535 5.081 ( 0.000 -7.415 1.771) 7.624 5.154 ( 0.000 -0.342 0.247) 0.422 5.312 ( 0.000 2.674 37.416) 37.512 5.485 ( 0.000 5.323 13.365) 14.386 5.639 ( 0.000 -0.851 34.633) 34.644 5.814 ( 0.000 -7.914 7.321) 10.781 6.170 ( 0.000 -16.444 14.679) 22.042 6.603 ( 0.000 5.849 15.887) 16.929 6.880 ( 0.000 9.947 12.715) 16.144 7.103 ( 0.000 -1.603 -5.889) 6.103 7.178 ( 0.000 18.894 10.729) 21.728 7.561 ( 0.000 -9.663 -11.719) 15.189 7.853 ( 0.000 7.227 13.011) 14.883 8.024 ( 0.000 11.254 -3.494) 11.784 8.513 ( 0.000 -6.724 -11.595) 13.404 8.525 ( 0.000 2.749 1.575) 3.168 8.677 ( 0.000 -11.564 -5.957) 13.008 8.922 ( 0.000 -12.638 -3.064) 13.004 9.106 ( 0.000 -2.498 -8.542) 8.900 9.213 ( 0.000 -13.341 -8.417) 15.774 9.439 ( 0.000 -17.398 -4.139) 17.883 9.772 ( 0.000 1.571 7.840) 7.996 9.807 ( 0.000 -1.966 6.156) 6.462 9.884 ( 0.000 -11.087 3.736) 11.700 9.908 ( 0.000 -4.507 -0.407) 4.526 10.310 ( 0.000 16.368 -0.739) 16.384 10.758 ( 0.000 20.121 1.270) 20.161 10.771 ( 0.000 -1.085 -11.320) 11.372 10.945 ( 0.000 14.303 -3.877) 14.819 11.294 ( 0.000 -2.490 5.414) 5.959 11.298 ( 0.000 6.970 2.079) 7.274 11.424 ( 0.000 -1.770 3.498) 3.920 11.610 ( 0.000 -10.296 -2.698) 10.643 11.777 ( 0.000 4.140 2.340) 4.756 12.046 ( 0.000 -0.733 -13.893) 13.912 12.054 ( 0.000 0.935 -5.365) 5.445 12.168 ( 0.000 2.428 -3.420) 4.194 12.200 ( 0.000 24.591 7.411) 25.684 12.546 ( 0.000 -8.129 -5.368) 9.742 12.738 ( 0.000 -18.056 -4.609) 18.635 12.913 ( 0.000 7.847 -7.907) 11.140 13.099 ( 0.000 -13.842 -6.762) 15.405 13.210 ( 0.000 -5.161 -10.668) 11.851 13.316 ( 0.000 -6.594 -0.679) 6.629 13.344 ( 0.000 2.014 -14.248) 14.390 13.585 ( 0.000 4.819 -8.857) 10.084 13.681 ( 0.000 3.743 -5.362) 6.539 13.853 ( 0.000 -6.671 -2.781) 7.227 13.867 ( 0.000 -6.110 0.818) 6.165 13.873 ( 0.000 5.552 -3.671) 6.655 14.069 ( 0.000 -2.470 -8.930) 9.266 14.387 ( 0.000 6.286 -15.707) 16.918 14.503 ( 0.000 -2.171 -9.712) 9.952 14.526 ( 0.000 2.726 2.372) 3.613 14.536 ( 0.000 5.275 0.842) 5.342 15.029 ( 0.000 0.402 22.866) 22.869 15.228 ( 0.000 0.466 9.811) 9.822 15.994 ( 0.000 10.622 11.572) 15.708 16.236 ( 0.000 7.139 -9.547) 11.921 16.571 ( 0.000 2.203 0.121) 2.206 16.661 ( 0.000 -11.180 -3.721) 11.783 17.181 ( 0.000 -1.555 9.436) 9.563 17.272 ( 0.000 -5.515 10.663) 12.004 18.090 ( 0.000 6.128 7.096) 9.376 18.260 ( 0.000 0.727 16.354) 16.371 18.809 ( 0.000 1.514 -27.220) 27.262 18.917 ( 0.000 -1.184 -8.536) 8.618 19.711 ( 0.000 0.086 -23.789) 23.789 19.801 ( 0.000 -3.135 -14.441) 14.778 20.520 ( 0.000 2.252 -10.802) 11.035 20.986 ( 0.000 -16.169 -13.015) 20.756 21.377 ( 0.000 20.875 2.751) 21.055 21.850 ( 0.000 16.555 -6.801) 17.897 21.972 ( 0.000 3.463 4.319) 5.536 22.179 ( 0.000 -3.707 6.148) 7.180 22.436 ( 0.000 -16.788 10.437) 19.768 22.721 ( 0.000 -25.051 4.865) 25.519 22.988 ( 0.000 -7.318 2.336) 7.682 23.129 ( 0.000 -5.657 4.112) 6.994 23.730 ( 0.000 15.407 13.224) 20.304 24.024 ( 0.000 -1.110 7.840) 7.918 24.322 ( 0.000 18.434 11.849) 21.914 24.525 ( 0.000 12.548 11.476) 17.004 24.697 ( 0.000 1.966 1.571) 2.516 24.859 ( 0.000 2.593 6.985) 7.450 24.998 ( 0.000 -3.484 4.450) 5.652 25.027 ( 0.000 -2.308 6.907) 7.282 25.237 ( 0.000 -12.800 3.077) 13.165 25.281 ( 0.000 5.193 7.418) 9.055 25.293 ( 0.000 -17.312 4.720) 17.944 25.690 ( 0.000 -18.906 7.278) 20.259 25.785 ( 0.000 0.705 -3.658) 3.725 25.924 ( 0.000 -2.706 -5.828) 6.426 26.592 ( 0.000 12.121 -17.133) 20.987 26.937 ( 0.000 -5.555 -13.857) 14.929 27.083 ( 0.000 2.095 5.950) 6.308 27.204 ( 0.000 -0.825 12.963) 12.989 27.382 ( 0.000 5.574 11.109) 12.429 27.712 ( 0.000 -5.130 9.418) 10.725 27.939 ( 0.000 2.419 11.965) 12.207 28.186 ( 0.000 -11.511 9.261) 14.774 28.661 ( 0.000 6.982 2.805) 7.524 29.266 ( 0.000 -15.286 -7.748) 17.137 35.010 ( 0.000 1.540 6.103) 6.294 35.071 ( 0.000 -0.590 2.238) 2.314 35.292 ( 0.000 0.805 -3.405) 3.499 35.300 ( 0.000 0.575 -3.917) 3.959 35.307 ( 0.000 1.233 -2.480) 2.770 35.335 ( 0.000 1.060 -3.265) 3.432 35.625 ( 0.000 20.528 -8.620) 22.264 35.768 ( 0.000 -0.951 3.199) 3.337 35.833 ( 0.000 15.073 -5.164) 15.933 35.959 ( 0.000 5.241 -2.552) 5.830 36.361 ( 0.000 -3.494 -1.429) 3.775 36.630 ( 0.000 -4.479 -9.701) 10.685 37.045 ( 0.000 15.109 9.674) 17.940 37.933 ( 0.000 -20.830 -0.774) 20.844 38.660 ( 0.000 -3.020 -4.486) 5.408 38.815 ( 0.000 -5.460 -10.718) 12.029 39.095 ( 0.000 11.099 -14.026) 17.887 39.305 ( 0.000 -0.763 -14.180) 14.201 39.334 ( 0.000 8.683 -9.272) 12.703 39.530 ( 0.000 -0.910 -9.147) 9.192 ======================= Grid point 56 (23/54) ======================= q-point: ( 0.20 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( 3.425 12.799 14.620) 19.730 2.088 ( 12.055 12.459 24.661) 30.145 2.340 ( -0.312 4.233 0.961) 4.352 2.371 ( 3.206 2.607 2.621) 4.894 2.479 ( -0.534 -5.643 -0.608) 5.701 2.564 ( 0.041 -2.436 0.410) 2.471 2.637 ( -0.559 1.603 3.806) 4.168 2.668 ( -0.392 -0.493 0.038) 0.631 2.749 ( 1.113 0.441 1.813) 2.172 2.762 ( 0.882 1.153 3.730) 4.003 2.765 ( -0.001 -0.815 0.092) 0.820 2.868 ( -1.568 -1.742 -1.625) 2.852 3.450 ( 3.656 10.966 10.113) 15.359 3.544 ( 13.952 10.637 16.835) 24.315 3.827 ( 3.239 -9.796 21.968) 24.270 4.190 ( 11.876 -4.705 16.164) 20.602 4.389 ( 5.187 10.258 28.299) 30.545 4.588 ( -4.785 -6.451 10.203) 12.985 4.736 ( -1.610 -17.577 13.220) 22.053 4.934 ( -15.345 -3.922 3.944) 16.322 4.985 ( 1.987 5.381 -6.280) 8.505 5.122 ( 10.550 2.986 6.885) 12.947 5.216 ( 4.805 0.375 13.878) 14.691 5.381 ( 4.632 2.564 36.419) 36.802 5.407 ( 4.562 3.726 15.765) 16.829 5.727 ( 13.221 5.962 29.827) 33.166 5.937 ( 12.969 -8.712 12.982) 20.313 6.163 ( -4.913 -11.852 11.606) 17.301 6.636 ( 5.843 5.634 13.218) 15.511 6.911 ( 3.210 5.469 7.941) 10.162 7.125 ( -8.648 19.842 0.340) 21.647 7.293 ( 13.734 1.308 -5.363) 14.802 7.461 ( -2.364 2.520 13.725) 14.153 7.718 ( -18.471 -1.344 -0.172) 18.520 7.928 ( -6.725 12.784 8.205) 16.612 8.329 ( -12.173 -8.019 1.569) 14.661 8.482 ( -14.241 -15.024 -8.319) 22.310 8.698 ( 1.263 2.156 -6.757) 7.204 8.900 ( -3.576 -5.821 -1.853) 7.079 9.085 ( 7.407 -11.331 -7.987) 15.717 9.211 ( -20.247 -5.282 2.181) 21.038 9.273 ( -10.527 -7.851 -8.464) 15.623 9.530 ( -5.689 3.232 -3.999) 7.669 9.684 ( -6.837 -8.991 -4.389) 12.118 9.746 ( -6.775 -5.922 3.227) 9.559 10.019 ( 5.092 -17.308 -0.758) 18.058 10.307 ( -4.075 8.822 -4.211) 10.591 10.603 ( -3.789 3.684 -3.676) 6.438 10.820 ( -1.612 9.561 -1.520) 9.815 10.990 ( -1.106 19.562 -4.607) 20.128 11.266 ( -4.547 -9.882 6.999) 12.935 11.340 ( 1.424 0.520 1.115) 1.882 11.505 ( 9.697 4.954 -1.772) 11.033 11.639 ( 5.973 -4.357 -1.788) 7.607 11.874 ( 9.136 4.678 -1.999) 10.457 12.057 ( 2.781 6.244 -5.835) 8.987 12.166 ( 1.493 15.653 4.170) 16.268 12.240 ( 7.203 -2.659 -5.990) 9.738 12.366 ( 14.862 4.851 -0.681) 15.648 12.587 ( 3.193 -1.480 -2.436) 4.280 12.747 ( 1.918 -11.407 -2.888) 11.922 12.925 ( 2.106 7.164 -9.739) 12.272 13.039 ( -2.879 -13.819 -6.677) 15.615 13.205 ( -5.146 -4.779 -1.652) 7.215 13.319 ( -2.418 1.104 -7.547) 8.001 13.344 ( -5.035 -2.649 -12.677) 13.896 13.442 ( 2.502 4.233 -5.119) 7.098 13.679 ( -6.107 4.017 -10.509) 12.802 13.758 ( -2.678 -1.572 -4.036) 5.093 13.882 ( -3.169 -0.700 3.714) 4.933 13.966 ( 7.721 -6.602 -6.607) 12.119 14.042 ( -0.538 -0.228 -9.508) 9.526 14.299 ( -7.930 1.157 -9.442) 12.385 14.363 ( -5.908 -2.518 -4.222) 7.686 14.497 ( -2.282 0.348 3.632) 4.304 14.580 ( 1.201 1.582 -7.328) 7.592 15.210 ( 16.597 5.182 21.268) 27.471 15.607 ( 25.888 -0.003 5.416) 26.448 15.985 ( -1.356 10.233 9.024) 13.711 16.263 ( 3.262 4.173 -5.807) 7.860 16.517 ( -5.913 7.482 6.305) 11.433 16.664 ( 0.095 -12.148 -3.378) 12.610 17.021 ( -11.822 -3.299 4.249) 12.989 17.140 ( -11.126 -5.407 7.809) 14.629 18.244 ( 12.964 5.446 5.207) 14.995 18.434 ( 13.646 -0.382 13.808) 19.417 18.794 ( -1.710 1.577 -24.337) 24.448 18.907 ( -1.305 -1.152 -5.848) 6.102 19.762 ( 5.840 -1.423 -23.892) 24.637 19.813 ( 1.623 -2.463 -15.639) 15.914 20.427 ( -10.288 0.417 -9.310) 13.881 20.782 ( -17.277 -13.707 -12.438) 25.320 21.281 ( -4.226 21.164 0.405) 21.586 21.756 ( -9.153 16.208 -2.117) 18.733 22.088 ( 7.414 -0.160 1.823) 7.637 22.309 ( 9.538 -6.398 5.603) 12.779 22.441 ( 2.564 -10.493 10.115) 14.798 22.767 ( 3.362 -24.140 2.843) 24.538 22.953 ( -3.223 -6.540 3.302) 8.004 23.079 ( -4.617 -5.424 4.336) 8.339 23.766 ( 3.767 14.181 13.472) 19.920 24.042 ( 1.656 -0.979 8.107) 8.332 24.280 ( -4.274 10.945 14.371) 18.563 24.494 ( -2.916 14.097 8.315) 16.624 24.665 ( -3.199 4.362 3.496) 6.440 24.856 ( -14.213 -6.978 12.060) 19.903 24.901 ( -4.318 0.400 9.147) 10.123 25.034 ( 2.615 -5.364 5.316) 7.992 25.078 ( 0.799 -3.907 8.615) 9.493 25.251 ( -3.766 4.877 8.024) 10.117 25.295 ( 1.124 -10.877 2.319) 11.179 25.556 ( -5.714 -8.149 10.973) 14.815 25.918 ( 12.371 5.099 -12.259) 18.148 26.184 ( 11.788 -6.171 -12.028) 17.937 26.560 ( -1.161 4.961 -18.039) 18.745 26.804 ( -7.941 -5.501 -9.912) 13.841 27.195 ( 9.824 2.251 6.217) 11.842 27.307 ( 4.477 -1.624 8.794) 10.001 27.434 ( 13.724 13.820 8.052) 21.075 27.850 ( -4.399 -0.030 11.113) 11.952 27.928 ( -0.797 -2.395 9.029) 9.375 28.262 ( 7.541 -5.416 3.761) 10.017 28.610 ( -0.509 -5.937 0.061) 5.960 29.242 ( -3.214 -17.861 -6.935) 19.428 35.032 ( 2.182 2.129 4.711) 5.611 35.099 ( 2.653 -0.344 2.796) 3.870 35.272 ( -2.040 1.210 -2.665) 3.567 35.292 ( -0.518 0.595 -3.164) 3.261 35.319 ( 0.392 1.014 -3.091) 3.276 35.344 ( 0.905 0.819 -2.865) 3.114 35.439 ( -9.598 16.956 -3.585) 19.811 35.618 ( -9.188 1.525 1.693) 9.466 36.045 ( 11.720 11.208 -8.411) 18.268 36.125 ( 10.874 3.267 -2.396) 11.604 36.350 ( -1.135 -1.455 -2.121) 2.811 36.597 ( -3.275 -3.972 -8.885) 10.268 37.172 ( 12.130 13.152 8.671) 19.882 38.001 ( 6.565 -19.725 -1.142) 20.820 38.386 ( -22.202 3.544 -2.062) 22.577 38.672 ( -9.378 -5.703 -3.992) 11.679 39.228 ( 5.952 3.845 -15.550) 17.088 39.315 ( 1.092 0.692 -12.270) 12.338 39.357 ( 1.558 5.611 -11.785) 13.145 39.496 ( -3.059 -0.658 -8.720) 9.264 ======================= Grid point 57 (24/54) ======================= q-point: ( 0.40 0.25 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.125 ( 6.401 8.448 1.927) 10.773 2.255 ( -5.178 4.812 -1.844) 7.305 2.391 ( 12.099 1.489 13.028) 17.842 2.441 ( 2.958 -2.939 2.095) 4.666 2.500 ( 1.690 -1.175 2.360) 3.131 2.565 ( 0.623 -2.270 3.131) 3.917 2.601 ( -2.769 -0.860 3.334) 4.418 2.640 ( -3.053 -1.096 2.074) 3.850 2.755 ( -0.235 -1.392 2.303) 2.701 2.762 ( -0.302 0.561 1.473) 1.605 2.792 ( 1.872 -1.163 0.252) 2.218 2.832 ( -1.978 -1.429 -1.089) 2.673 3.516 ( 7.229 16.058 12.489) 21.589 3.744 ( -10.365 5.256 17.068) 20.648 3.969 ( 19.632 3.732 17.380) 26.484 4.281 ( -8.192 1.138 8.946) 12.184 4.350 ( 4.402 -4.295 9.315) 11.162 4.538 ( -11.164 4.437 3.393) 12.483 4.686 ( -0.830 -12.798 21.524) 25.055 4.730 ( -1.590 -16.326 12.008) 20.329 5.023 ( 2.452 4.351 1.547) 5.229 5.131 ( -7.323 3.182 1.529) 8.130 5.384 ( 14.249 -6.297 22.498) 27.365 5.554 ( 7.143 -2.392 43.085) 43.739 5.706 ( 15.271 2.532 15.467) 21.883 6.031 ( -4.518 9.540 20.114) 22.716 6.250 ( 32.657 15.895 22.045) 42.486 6.373 ( 26.125 -10.916 16.526) 32.784 6.667 ( 1.441 -0.478 2.613) 3.022 6.871 ( -10.206 11.135 13.270) 20.106 6.992 ( -13.502 -4.833 13.283) 19.547 7.171 ( -21.046 7.344 16.538) 27.756 7.428 ( -6.416 9.135 4.794) 12.149 7.524 ( -17.974 18.497 3.687) 26.053 7.668 ( 14.296 2.452 -7.141) 16.167 8.160 ( 8.419 -5.157 4.226) 10.740 8.195 ( -27.602 -4.446 -4.521) 28.321 8.601 ( -2.878 -6.710 -2.372) 7.677 8.705 ( -12.940 -11.551 3.186) 17.636 8.928 ( -11.626 -9.675 -0.585) 15.137 9.065 ( 7.916 -1.250 -6.865) 10.552 9.250 ( -0.406 -7.831 -12.865) 15.066 9.462 ( -1.826 -12.544 -6.402) 14.201 9.602 ( -5.715 -6.114 -14.030) 16.337 9.762 ( 11.626 -7.314 -7.404) 15.604 10.068 ( -15.919 3.656 -9.992) 19.147 10.251 ( 17.458 -13.536 -3.751) 22.407 10.564 ( -7.879 -7.089 -0.669) 10.620 10.797 ( 0.150 14.879 -0.991) 14.913 10.854 ( -7.208 17.271 -3.633) 19.064 11.214 ( 1.574 -9.981 5.763) 11.632 11.294 ( -4.654 -6.763 4.518) 9.370 11.758 ( 12.593 7.888 -6.071) 16.052 11.845 ( 9.352 0.423 -3.226) 9.901 11.967 ( -0.652 11.662 -2.331) 11.910 12.074 ( -4.174 9.615 2.101) 10.690 12.219 ( 4.506 6.081 -4.716) 8.918 12.293 ( -0.371 1.728 -1.903) 2.598 12.640 ( 6.198 4.782 -3.865) 8.731 12.674 ( 7.772 3.698 2.446) 8.948 12.835 ( 3.904 -4.193 -0.780) 5.782 12.899 ( -4.328 -2.695 -2.422) 5.644 13.002 ( -0.731 -4.534 -3.473) 5.758 13.089 ( -8.452 -3.189 -1.792) 9.210 13.208 ( 4.672 2.194 -4.784) 7.038 13.388 ( -8.261 -0.988 -9.493) 12.623 13.431 ( 7.638 2.082 -13.010) 15.229 13.621 ( -4.366 -3.302 -7.072) 8.943 13.722 ( 1.801 0.674 -8.041) 8.268 13.795 ( -4.105 6.264 -11.909) 14.069 14.057 ( 2.841 6.245 0.382) 6.872 14.117 ( 3.718 -9.346 -5.362) 11.398 14.158 ( -2.662 -0.993 -2.447) 3.750 14.262 ( -5.636 -9.384 -9.449) 14.461 14.485 ( 1.666 -5.101 -0.702) 5.412 14.547 ( -3.504 -3.762 -5.022) 7.187 15.597 ( 19.159 8.500 17.497) 27.304 15.888 ( -8.082 8.620 12.066) 16.888 16.040 ( 14.235 13.059 7.757) 20.817 16.297 ( -11.358 14.469 13.269) 22.680 16.432 ( 10.410 -6.320 -1.026) 12.221 16.635 ( -5.026 -15.608 -1.143) 16.437 16.850 ( -3.500 -6.362 -4.394) 8.488 16.907 ( -9.354 -4.804 0.627) 10.534 18.522 ( 12.856 4.050 -2.526) 13.713 18.691 ( 10.526 -0.929 6.232) 12.268 18.719 ( -6.393 2.294 -15.100) 16.558 18.847 ( -5.074 -0.973 -0.630) 5.205 19.895 ( 7.626 -0.839 -14.793) 16.664 19.983 ( 15.513 -5.603 -20.197) 26.076 20.140 ( -14.747 0.059 -10.124) 17.887 20.381 ( -21.125 -10.597 -14.740) 27.853 21.316 ( 7.234 20.707 -0.642) 21.943 21.524 ( -12.253 18.502 -0.550) 22.198 22.230 ( 6.596 -9.016 4.109) 11.903 22.341 ( -3.730 -12.187 7.462) 14.769 22.632 ( 11.684 -1.497 4.919) 12.765 22.806 ( -3.054 -10.077 1.856) 10.692 22.889 ( 0.251 -11.545 5.166) 12.650 22.969 ( -5.511 -8.825 3.656) 11.028 23.891 ( 8.471 11.207 13.691) 19.616 24.052 ( -3.836 5.424 10.125) 12.110 24.195 ( -0.647 -0.561 15.493) 15.516 24.316 ( -11.487 0.695 14.453) 18.475 24.608 ( 0.417 10.115 7.424) 12.554 24.650 ( -3.383 9.480 6.600) 12.036 24.964 ( 4.586 2.373 7.151) 8.821 25.049 ( -2.449 -2.432 6.500) 7.360 25.127 ( 2.694 -2.803 7.808) 8.723 25.173 ( -2.722 0.711 8.028) 8.507 25.341 ( 3.697 -9.285 3.717) 10.663 25.442 ( -5.778 -7.628 7.384) 12.087 26.171 ( 10.604 7.008 -16.724) 21.006 26.294 ( -0.872 6.335 -15.722) 16.973 26.588 ( 3.727 -7.221 -17.538) 19.330 26.680 ( -5.002 -6.871 -13.322) 15.802 27.425 ( 11.708 1.786 7.805) 14.184 27.478 ( 12.351 -0.528 9.619) 15.664 27.657 ( -7.041 2.065 8.821) 11.473 27.752 ( -7.330 -1.537 7.963) 10.932 27.821 ( 10.093 13.015 6.846) 17.836 28.149 ( -15.083 17.535 5.199) 23.706 28.829 ( 15.872 -26.121 -6.436) 31.236 29.105 ( -10.593 -22.326 -6.488) 25.549 35.096 ( 4.110 3.823 1.987) 5.955 35.166 ( 2.495 1.579 2.219) 3.694 35.202 ( -3.479 3.105 0.252) 4.670 35.254 ( -3.385 0.307 0.926) 3.523 35.322 ( 0.228 2.823 -3.800) 4.740 35.334 ( -1.315 6.678 -4.255) 8.026 35.378 ( 2.506 1.255 -1.997) 3.442 35.461 ( -5.973 1.320 0.322) 6.125 36.224 ( 6.127 6.878 -6.912) 11.516 36.309 ( -2.162 2.391 -3.836) 5.011 36.337 ( 8.828 0.583 -4.091) 9.747 36.499 ( -6.525 -2.242 -6.625) 9.566 37.498 ( 19.199 9.829 6.579) 22.550 37.920 ( -22.251 7.435 4.149) 23.825 38.191 ( 11.356 -16.695 -2.166) 20.307 38.443 ( -12.747 -11.814 -3.097) 17.653 39.307 ( 2.736 3.492 -12.988) 13.725 39.341 ( 0.302 2.316 -11.870) 12.098 39.373 ( 0.979 1.530 -11.371) 11.515 39.426 ( -3.452 0.003 -8.764) 9.420 ======================= Grid point 60 (25/54) ======================= q-point: ( 0.00 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.245 ( 0.000 -11.210 8.876) 14.299 2.245 ( 0.000 11.210 8.876) 14.299 2.293 ( 0.000 -7.518 10.682) 13.062 2.293 ( 0.000 7.518 10.682) 13.062 2.489 ( 0.000 -5.334 -0.463) 5.354 2.489 ( 0.000 5.334 -0.463) 5.354 2.701 ( 0.000 -2.084 1.665) 2.668 2.701 ( 0.000 2.084 1.665) 2.668 2.718 ( 0.000 -2.228 -0.163) 2.233 2.718 ( 0.000 2.228 -0.163) 2.233 2.839 ( 0.000 -3.322 0.911) 3.444 2.839 ( 0.000 3.322 0.911) 3.444 3.436 ( 0.000 -12.217 28.059) 30.603 3.436 ( 0.000 12.217 28.059) 30.603 3.965 ( 0.000 -16.960 20.257) 26.420 3.965 ( 0.000 16.960 20.257) 26.420 4.435 ( 0.000 -2.985 3.061) 4.275 4.435 ( 0.000 2.985 3.061) 4.275 4.674 ( 0.000 -11.973 25.888) 28.523 4.674 ( 0.000 11.973 25.888) 28.523 5.024 ( 0.000 -1.857 9.156) 9.342 5.024 ( 0.000 1.857 9.156) 9.342 5.436 ( 0.000 -3.984 11.727) 12.385 5.436 ( 0.000 3.984 11.727) 12.385 5.573 ( 0.000 -4.050 26.455) 26.763 5.573 ( 0.000 4.050 26.455) 26.763 5.804 ( 0.000 -17.381 2.096) 17.507 5.804 ( 0.000 17.381 2.096) 17.507 6.854 ( 0.000 -18.144 5.015) 18.825 6.854 ( 0.000 18.144 5.015) 18.825 7.078 ( 0.000 -10.124 9.884) 14.148 7.078 ( 0.000 10.124 9.884) 14.148 8.008 ( 0.000 -33.236 -10.310) 34.798 8.008 ( 0.000 33.236 -10.310) 34.798 8.065 ( 0.000 -8.373 8.520) 11.946 8.065 ( 0.000 8.373 8.520) 11.946 8.690 ( 0.000 -7.785 -7.428) 10.760 8.690 ( 0.000 7.785 -7.428) 10.760 8.890 ( 0.000 -30.314 -3.565) 30.522 8.890 ( 0.000 30.314 -3.565) 30.522 9.063 ( 0.000 -0.395 -6.891) 6.903 9.063 ( 0.000 0.395 -6.891) 6.903 9.783 ( 0.000 -0.402 8.143) 8.153 9.783 ( 0.000 0.402 8.143) 8.153 9.832 ( 0.000 -2.559 2.530) 3.598 9.832 ( 0.000 2.559 2.530) 3.598 10.623 ( 0.000 -12.843 -4.109) 13.484 10.623 ( 0.000 12.843 -4.109) 13.484 11.160 ( 0.000 -10.061 0.784) 10.092 11.160 ( 0.000 10.061 0.784) 10.092 11.237 ( 0.000 -2.916 3.205) 4.333 11.237 ( 0.000 2.916 3.205) 4.333 11.419 ( 0.000 -3.097 -5.701) 6.488 11.419 ( 0.000 3.097 -5.701) 6.488 12.034 ( 0.000 -4.033 -10.247) 11.012 12.034 ( 0.000 4.033 -10.247) 11.012 12.079 ( 0.000 -11.338 -7.902) 13.820 12.079 ( 0.000 11.338 -7.902) 13.820 12.451 ( 0.000 -4.382 2.725) 5.160 12.451 ( 0.000 4.382 2.725) 5.160 12.704 ( 0.000 -20.420 0.528) 20.427 12.704 ( 0.000 20.420 0.528) 20.427 13.100 ( 0.000 -5.049 -8.983) 10.305 13.100 ( 0.000 5.049 -8.983) 10.305 13.297 ( 0.000 -4.545 -8.591) 9.719 13.297 ( 0.000 4.545 -8.591) 9.719 13.686 ( 0.000 -3.638 -5.012) 6.193 13.686 ( 0.000 3.638 -5.012) 6.193 13.781 ( 0.000 -0.990 2.383) 2.580 13.781 ( 0.000 0.990 2.383) 2.580 13.993 ( 0.000 -4.836 -7.428) 8.863 13.993 ( 0.000 4.836 -7.428) 8.863 14.454 ( 0.000 -2.241 -16.369) 16.522 14.454 ( 0.000 2.241 -16.369) 16.522 14.590 ( 0.000 -0.455 0.160) 0.482 14.590 ( 0.000 0.455 0.160) 0.482 15.104 ( 0.000 -8.179 20.965) 22.504 15.104 ( 0.000 8.179 20.965) 22.504 16.309 ( 0.000 -16.739 3.517) 17.105 16.309 ( 0.000 16.739 3.517) 17.105 16.491 ( 0.000 -8.778 -9.419) 12.875 16.491 ( 0.000 8.778 -9.419) 12.875 17.189 ( 0.000 -2.510 9.962) 10.273 17.189 ( 0.000 2.510 9.962) 10.273 18.220 ( 0.000 -5.103 15.143) 15.980 18.220 ( 0.000 5.103 15.143) 15.980 18.861 ( 0.000 -3.473 -20.151) 20.448 18.861 ( 0.000 3.473 -20.151) 20.448 19.737 ( 0.000 -2.565 -18.307) 18.486 19.737 ( 0.000 2.565 -18.307) 18.486 20.673 ( 0.000 -12.950 -11.055) 17.027 20.673 ( 0.000 12.950 -11.055) 17.027 21.910 ( 0.000 -28.566 4.721) 28.954 21.910 ( 0.000 28.566 4.721) 28.954 22.059 ( 0.000 -4.235 3.116) 5.258 22.059 ( 0.000 4.235 3.116) 5.258 22.263 ( 0.000 -18.908 0.703) 18.921 22.263 ( 0.000 18.908 0.703) 18.921 23.002 ( 0.000 -5.625 4.384) 7.131 23.002 ( 0.000 5.625 4.384) 7.131 23.951 ( 0.000 -6.645 11.400) 13.195 23.951 ( 0.000 6.645 11.400) 13.195 24.675 ( 0.000 -12.431 14.529) 19.121 24.675 ( 0.000 12.431 14.529) 19.121 24.793 ( 0.000 -10.726 4.371) 11.583 24.793 ( 0.000 10.726 4.371) 11.583 24.952 ( 0.000 -0.154 7.186) 7.188 24.952 ( 0.000 0.154 7.186) 7.188 25.040 ( 0.000 -8.543 4.563) 9.686 25.040 ( 0.000 8.543 4.563) 9.686 25.419 ( 0.000 -8.825 10.146) 13.447 25.419 ( 0.000 8.825 10.146) 13.447 25.854 ( 0.000 -3.857 -7.062) 8.047 25.854 ( 0.000 3.857 -7.062) 8.047 26.794 ( 0.000 -8.452 -15.964) 18.063 26.794 ( 0.000 8.452 -15.964) 18.063 27.139 ( 0.000 -3.518 9.265) 9.910 27.139 ( 0.000 3.518 9.265) 9.910 27.563 ( 0.000 -9.363 8.968) 12.965 27.563 ( 0.000 9.363 8.968) 12.965 28.015 ( 0.000 -5.485 12.023) 13.215 28.015 ( 0.000 5.485 12.023) 13.215 28.916 ( 0.000 -16.897 -1.424) 16.957 28.916 ( 0.000 16.897 -1.424) 16.957 35.046 ( 0.000 -1.764 4.914) 5.221 35.046 ( 0.000 1.764 4.914) 5.221 35.301 ( 0.000 -0.211 -3.511) 3.518 35.301 ( 0.000 0.211 -3.511) 3.518 35.334 ( 0.000 -0.843 -3.367) 3.471 35.334 ( 0.000 0.843 -3.367) 3.471 35.743 ( 0.000 -1.654 2.578) 3.063 35.743 ( 0.000 1.654 2.578) 3.063 36.071 ( 0.000 -3.092 -7.673) 8.273 36.071 ( 0.000 3.092 -7.673) 8.273 36.457 ( 0.000 -12.553 -11.099) 16.756 36.457 ( 0.000 12.553 -11.099) 16.756 37.457 ( 0.000 -23.995 3.651) 24.272 37.457 ( 0.000 23.995 3.651) 24.272 38.693 ( 0.000 -5.288 -8.789) 10.257 38.693 ( 0.000 5.288 -8.789) 10.257 39.255 ( 0.000 -4.769 -15.106) 15.841 39.255 ( 0.000 4.769 -15.106) 15.841 39.479 ( 0.000 -4.728 -9.495) 10.607 39.479 ( 0.000 4.728 -9.495) 10.607 ======================= Grid point 62 (26/54) ======================= q-point: ( 0.20 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.272 ( 1.972 -9.023 5.355) 10.676 2.272 ( 1.972 9.023 5.355) 10.676 2.329 ( 3.607 -8.389 9.719) 13.336 2.329 ( 3.607 8.389 9.719) 13.336 2.470 ( -1.447 -5.906 0.165) 6.083 2.470 ( -1.447 5.906 0.165) 6.083 2.664 ( -1.566 -0.379 2.013) 2.578 2.664 ( -1.566 0.379 2.013) 2.578 2.741 ( 0.537 -0.191 1.284) 1.405 2.741 ( 0.537 0.191 1.284) 1.405 2.825 ( -1.082 -2.625 0.525) 2.887 2.825 ( -1.082 2.625 0.525) 2.887 3.616 ( 14.544 -9.549 22.392) 28.357 3.616 ( 14.544 9.549 22.392) 28.357 3.992 ( 1.894 -22.724 16.208) 27.976 3.992 ( 1.894 22.724 16.208) 27.976 4.419 ( -3.634 -3.023 6.846) 8.319 4.419 ( -3.634 3.023 6.846) 8.319 4.701 ( 0.993 -12.490 18.748) 22.549 4.701 ( 0.993 12.490 18.748) 22.549 5.116 ( 8.238 -2.205 6.340) 10.626 5.116 ( 8.238 2.205 6.340) 10.626 5.371 ( -3.696 -6.093 24.074) 25.107 5.371 ( -3.696 6.093 24.074) 25.107 5.606 ( 8.231 -12.024 24.019) 28.093 5.606 ( 8.231 12.024 24.019) 28.093 5.920 ( 10.485 -9.098 8.674) 16.369 5.920 ( 10.485 9.098 8.674) 16.369 6.821 ( 1.227 -10.974 2.693) 11.366 6.821 ( 1.227 10.974 2.693) 11.366 7.370 ( 19.617 -5.506 7.720) 21.788 7.370 ( 19.617 5.506 7.720) 21.788 7.604 ( -22.916 -21.760 2.748) 31.721 7.604 ( -22.916 21.760 2.748) 31.721 8.122 ( -5.780 -17.282 0.054) 18.223 8.122 ( -5.780 17.282 0.054) 18.223 8.570 ( -18.936 -19.630 -0.447) 27.278 8.570 ( -18.936 19.630 -0.447) 27.278 8.849 ( 3.123 -3.782 -6.090) 7.819 8.849 ( 3.123 3.782 -6.090) 7.819 9.147 ( -1.659 -1.734 -7.614) 7.983 9.147 ( -1.659 1.734 -7.614) 7.983 9.604 ( -10.190 -5.553 1.551) 11.708 9.604 ( -10.190 5.553 1.551) 11.708 9.717 ( -5.205 -10.009 0.242) 11.284 9.717 ( -5.205 10.009 0.242) 11.284 10.555 ( -6.354 -9.898 -4.793) 12.701 10.555 ( -6.354 9.898 -4.793) 12.701 11.030 ( -6.797 -11.458 0.212) 13.324 11.030 ( -6.797 11.458 0.212) 13.324 11.241 ( -0.840 -5.918 2.845) 6.620 11.241 ( -0.840 5.918 2.845) 6.620 11.645 ( 14.580 -3.515 -7.383) 16.717 11.645 ( 14.580 3.515 -7.383) 16.717 12.019 ( 1.261 -11.623 -6.346) 13.303 12.019 ( 1.261 11.623 -6.346) 13.303 12.251 ( 11.031 -10.823 -6.758) 16.867 12.251 ( 11.031 10.823 -6.758) 16.867 12.490 ( 3.886 -12.596 1.285) 13.244 12.490 ( 3.886 12.596 1.285) 13.244 12.780 ( 7.957 -14.564 -0.154) 16.597 12.780 ( 7.957 14.564 -0.154) 16.597 13.075 ( -4.250 -7.394 -3.259) 9.130 13.075 ( -4.250 7.394 -3.259) 9.130 13.299 ( -0.211 -2.055 -10.853) 11.047 13.299 ( -0.211 2.055 -10.853) 11.047 13.607 ( -6.107 -9.471 0.620) 11.286 13.607 ( -6.107 9.471 0.620) 11.286 13.767 ( 1.236 -3.146 -5.749) 6.669 13.767 ( 1.236 3.146 -5.749) 6.669 14.021 ( 0.599 -4.612 -5.240) 7.006 14.021 ( 0.599 4.612 -5.240) 7.006 14.324 ( -6.883 -0.722 -9.399) 11.672 14.324 ( -6.883 0.722 -9.399) 11.672 14.534 ( -5.821 -3.680 -3.316) 7.644 14.534 ( -5.821 3.680 -3.316) 7.644 15.413 ( 23.788 -13.762 14.805) 31.216 15.413 ( 23.788 13.762 14.805) 31.216 16.295 ( -1.739 -17.032 4.724) 17.760 16.295 ( -1.739 17.032 4.724) 17.760 16.507 ( 1.579 -8.591 -7.744) 11.673 16.507 ( 1.579 8.591 -7.744) 11.673 17.029 ( -13.477 -4.634 8.605) 16.648 17.029 ( -13.477 4.634 8.605) 16.648 18.373 ( 12.598 -5.780 12.642) 18.760 18.373 ( 12.598 5.780 12.642) 18.760 18.850 ( -1.315 -3.635 -16.847) 17.285 18.850 ( -1.315 3.635 -16.847) 17.285 19.764 ( 3.172 -1.732 -19.252) 19.588 19.764 ( 3.172 1.732 -19.252) 19.588 20.526 ( -13.624 -9.819 -10.572) 19.844 20.526 ( -13.624 9.819 -10.572) 19.844 21.786 ( -3.348 -24.828 2.885) 25.218 21.786 ( -3.348 24.828 2.885) 25.218 22.135 ( -4.941 -13.466 3.859) 14.854 22.135 ( -4.941 13.466 3.859) 14.854 22.369 ( 13.811 -8.934 1.188) 16.491 22.369 ( 13.811 8.934 1.188) 16.491 22.963 ( -3.898 -4.963 4.338) 7.658 22.963 ( -3.898 4.963 4.338) 7.658 23.972 ( 2.333 -6.335 11.928) 13.706 23.972 ( 2.333 6.335 11.928) 13.706 24.509 ( -13.885 -12.206 17.001) 25.116 24.509 ( -13.885 12.206 17.001) 25.116 24.808 ( 2.206 -3.366 3.575) 5.383 24.808 ( 2.206 3.366 3.575) 5.383 24.939 ( -0.842 -2.986 7.156) 7.800 24.939 ( -0.842 2.986 7.156) 7.800 25.059 ( 2.735 -6.624 4.982) 8.728 25.059 ( 2.735 6.624 4.982) 8.728 25.384 ( -3.900 -7.970 9.755) 13.187 25.384 ( -3.900 7.970 9.755) 13.187 26.043 ( 14.717 -7.026 -11.596) 20.010 26.043 ( 14.717 7.026 -11.596) 20.010 26.681 ( -7.359 -6.437 -13.982) 17.061 26.681 ( -7.359 6.437 -13.982) 17.061 27.250 ( 8.377 -3.084 6.635) 11.122 27.250 ( 8.377 3.084 6.635) 11.122 27.747 ( 11.801 -12.629 7.499) 18.841 27.747 ( 11.801 12.629 7.499) 18.841 27.982 ( 0.211 -10.064 10.095) 14.256 27.982 ( 0.211 10.064 10.095) 14.256 28.837 ( -7.832 -19.570 -0.715) 21.091 28.837 ( -7.832 19.570 -0.715) 21.091 35.075 ( 2.831 -1.879 4.415) 5.570 35.075 ( 2.831 1.879 4.415) 5.570 35.287 ( -1.359 -0.647 -2.661) 3.057 35.287 ( -1.359 0.647 -2.661) 3.057 35.344 ( 0.990 -0.807 -3.602) 3.822 35.344 ( 0.990 0.807 -3.602) 3.822 35.615 ( -8.996 -2.739 0.162) 9.405 35.615 ( -8.996 2.739 0.162) 9.405 36.189 ( 8.093 -2.519 -5.522) 10.116 36.189 ( 8.093 2.519 -5.522) 10.116 36.446 ( -1.122 -10.839 -9.846) 14.686 36.446 ( -1.122 10.839 -9.846) 14.686 37.549 ( 8.983 -22.599 2.867) 24.488 37.549 ( 8.983 22.599 2.867) 24.488 38.515 ( -15.441 -8.487 -6.113) 18.650 38.515 ( -15.441 8.487 -6.113) 18.650 39.297 ( 3.081 -2.375 -13.572) 14.119 39.297 ( 3.081 2.375 -13.572) 14.119 39.459 ( -1.872 -3.412 -9.456) 10.226 39.459 ( -1.872 3.412 -9.456) 10.226 ======================= Grid point 64 (27/54) ======================= q-point: ( 0.40 -0.50 0.18) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.317 ( 2.487 -8.788 1.570) 9.267 2.317 ( 2.487 8.788 1.570) 9.267 2.366 ( -1.631 -4.526 0.869) 4.889 2.366 ( -1.631 4.526 0.869) 4.889 2.500 ( 5.461 -2.349 6.897) 9.105 2.500 ( 5.461 2.349 6.897) 9.105 2.613 ( -4.386 -1.150 4.394) 6.314 2.613 ( -4.386 1.150 4.394) 6.314 2.759 ( 1.638 -1.233 1.452) 2.512 2.759 ( 1.638 1.233 1.452) 2.512 2.797 ( -1.769 -1.812 0.249) 2.545 2.797 ( -1.769 1.812 0.249) 2.545 3.876 ( 9.367 -10.390 13.746) 19.612 3.876 ( 9.367 10.390 13.746) 19.612 4.014 ( -2.778 -16.408 12.555) 20.846 4.014 ( -2.778 16.408 12.555) 20.846 4.369 ( 5.570 -7.038 15.045) 17.519 4.369 ( 5.570 7.038 15.045) 17.519 4.602 ( -11.388 -2.387 8.724) 14.543 4.602 ( -11.388 2.387 8.724) 14.543 5.243 ( 3.682 -6.535 8.349) 11.224 5.243 ( 3.682 6.535 8.349) 11.224 5.308 ( -3.121 -15.325 23.289) 28.053 5.308 ( -3.121 15.325 23.289) 28.053 6.007 ( 27.397 -21.556 24.607) 42.671 6.007 ( 27.397 21.556 24.607) 42.671 6.276 ( 16.252 -11.108 14.687) 24.560 6.276 ( 16.252 11.108 14.687) 24.560 6.779 ( -2.463 -9.827 6.376) 11.970 6.779 ( -2.463 9.827 6.376) 11.970 7.166 ( -22.394 -9.730 17.053) 29.781 7.166 ( -22.394 9.730 17.053) 29.781 7.642 ( 6.183 -7.470 0.705) 9.722 7.642 ( 6.183 7.470 0.705) 9.722 7.951 ( -22.840 -17.598 -0.240) 28.834 7.951 ( -22.840 17.598 -0.240) 28.834 8.249 ( 15.548 -14.154 1.669) 21.091 8.249 ( 15.548 14.154 1.669) 21.091 8.741 ( -24.674 -7.700 0.167) 25.848 8.741 ( -24.674 7.700 0.167) 25.848 9.085 ( 10.799 -5.801 -9.899) 15.756 9.085 ( 10.799 5.801 -9.899) 15.756 9.352 ( -14.413 -7.814 -9.048) 18.726 9.352 ( -14.413 7.814 -9.048) 18.726 9.932 ( 19.595 -15.157 -6.030) 25.496 9.932 ( 19.595 15.157 -6.030) 25.496 10.318 ( -16.838 -15.214 -6.845) 23.703 10.318 ( -16.838 15.214 -6.845) 23.703 11.020 ( 4.988 -5.318 2.529) 7.717 11.020 ( 4.988 5.318 2.529) 7.717 11.155 ( -6.812 -6.188 3.599) 9.881 11.155 ( -6.812 6.188 3.599) 9.881 11.895 ( 9.400 -1.872 -10.514) 14.227 11.895 ( 9.400 1.872 -10.514) 14.227 12.015 ( -2.693 -5.802 -8.163) 10.371 12.015 ( -2.693 5.802 -8.163) 10.371 12.483 ( 10.377 -15.720 -0.897) 18.857 12.483 ( 10.377 15.720 -0.897) 18.857 12.569 ( 2.323 -15.021 3.444) 15.584 12.569 ( 2.323 15.021 3.444) 15.584 12.913 ( 0.712 -8.959 -3.918) 9.804 12.913 ( 0.712 8.959 -3.918) 9.804 12.952 ( -5.290 -4.767 -3.550) 7.957 12.952 ( -5.290 4.767 -3.550) 7.957 13.316 ( 6.027 -5.872 -2.143) 8.683 13.316 ( 6.027 5.872 -2.143) 8.683 13.489 ( -7.569 -6.076 0.416) 9.715 13.489 ( -7.569 6.076 0.416) 9.715 13.852 ( 6.723 -9.800 -11.236) 16.355 13.852 ( 6.723 9.800 -11.236) 16.355 13.979 ( -4.761 -9.852 -6.745) 12.854 13.979 ( -4.761 9.852 -6.745) 12.854 14.274 ( 2.191 -5.994 -6.001) 8.760 14.274 ( 2.191 5.994 -6.001) 8.760 14.386 ( -7.738 -6.731 -4.519) 11.207 14.386 ( -7.738 6.731 -4.519) 11.207 15.889 ( 21.163 -17.716 11.827) 30.027 15.889 ( 21.163 17.716 11.827) 30.027 16.201 ( -9.099 -18.449 8.370) 22.208 16.201 ( -9.099 18.449 8.370) 22.208 16.566 ( 4.952 -7.954 -3.523) 10.010 16.566 ( 4.952 7.954 -3.523) 10.010 16.742 ( -12.820 -7.335 3.168) 15.106 16.742 ( -12.820 7.335 3.168) 15.106 18.628 ( 11.053 -5.237 4.206) 12.934 18.628 ( 11.053 5.237 4.206) 12.934 18.790 ( -5.104 -4.081 -7.643) 10.056 18.790 ( -5.104 4.081 -7.643) 10.056 19.899 ( 10.896 -1.998 -17.947) 21.091 19.899 ( 10.896 1.998 -17.947) 21.091 20.194 ( -17.260 -6.233 -12.830) 22.392 20.194 ( -17.260 6.233 -12.830) 22.392 21.817 ( 5.634 -25.371 2.488) 26.108 21.817 ( 5.634 25.371 2.488) 26.108 21.975 ( -9.049 -21.919 3.026) 23.905 21.975 ( -9.049 21.919 3.026) 23.905 22.644 ( 12.031 -4.099 2.835) 13.023 22.644 ( 12.031 4.099 2.835) 13.023 22.844 ( -7.893 -3.798 3.883) 9.581 22.844 ( -7.893 3.798 3.883) 9.581 24.059 ( 6.497 -5.097 13.431) 15.767 24.059 ( 6.497 5.097 13.431) 15.767 24.240 ( -11.504 -5.450 15.732) 20.237 24.240 ( -11.504 5.450 15.732) 20.237 24.865 ( 2.981 -4.217 5.176) 7.312 24.865 ( 2.981 4.217 5.176) 7.312 24.915 ( -1.806 -4.855 6.685) 8.457 24.915 ( -1.806 4.855 6.685) 8.457 25.147 ( 5.659 -6.981 6.110) 10.867 25.147 ( 5.659 6.981 6.110) 10.867 25.274 ( -6.468 -7.756 7.931) 12.841 25.274 ( -6.468 7.756 7.931) 12.841 26.329 ( 12.454 -6.508 -15.747) 21.106 26.329 ( 12.454 6.508 -15.747) 21.106 26.533 ( -8.060 -5.595 -15.926) 18.706 26.533 ( -8.060 5.595 -15.926) 18.706 27.457 ( 11.952 -1.380 7.852) 14.367 27.457 ( 11.952 1.380 7.852) 14.367 27.699 ( -10.707 -2.310 9.057) 14.213 27.699 ( -10.707 2.310 9.057) 14.213 28.250 ( 19.162 -25.572 3.054) 32.100 28.250 ( 19.162 25.572 3.054) 32.100 28.604 ( -15.046 -24.034 0.786) 28.366 28.604 ( -15.046 24.034 0.786) 28.366 35.153 ( 4.570 -1.855 2.867) 5.705 35.153 ( 4.570 1.855 2.867) 5.705 35.240 ( -3.506 -1.216 -0.072) 3.711 35.240 ( -3.506 1.216 -0.072) 3.711 35.376 ( 2.413 -1.430 -3.522) 4.502 35.376 ( 2.413 1.430 -3.522) 4.502 35.457 ( -5.992 -2.631 -1.976) 6.836 35.457 ( -5.992 2.631 -1.976) 6.836 36.329 ( 5.464 -1.443 -5.497) 7.883 36.329 ( 5.464 1.443 -5.497) 7.883 36.409 ( -2.685 -6.595 -7.364) 10.244 36.409 ( -2.685 6.595 -7.364) 10.244 37.803 ( 15.621 -19.143 1.268) 24.740 37.803 ( 15.621 19.143 1.268) 24.740 38.156 ( -18.664 -14.677 -1.508) 23.791 38.156 ( -18.664 14.677 -1.508) 23.791 39.356 ( 2.790 -1.053 -11.258) 11.646 39.356 ( 2.790 1.053 -11.258) 11.646 39.411 ( -2.649 -1.607 -9.854) 10.329 39.411 ( -2.649 1.607 -9.854) 10.329 ======================= Grid point 75 (28/54) ======================= q-point: ( 0.00 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.239 ( 0.000 0.000 -1.454) 1.454 2.246 ( 0.000 0.000 -1.600) 1.600 2.310 ( 0.000 0.000 12.173) 12.173 2.426 ( 0.000 0.000 26.209) 26.209 2.555 ( 0.000 0.000 3.150) 3.150 2.605 ( 0.000 0.000 1.320) 1.320 2.632 ( 0.000 0.000 0.820) 0.820 2.683 ( 0.000 0.000 0.363) 0.363 2.734 ( 0.000 0.000 -2.017) 2.017 2.761 ( 0.000 0.000 -1.431) 1.431 2.813 ( 0.000 0.000 3.081) 3.081 2.848 ( 0.000 0.000 -2.179) 2.179 3.476 ( 0.000 0.000 15.525) 15.525 3.740 ( 0.000 0.000 26.053) 26.053 4.028 ( 0.000 0.000 -0.855) 0.855 4.298 ( 0.000 0.000 -15.292) 15.292 4.623 ( 0.000 0.000 5.825) 5.825 4.816 ( 0.000 0.000 0.686) 0.686 4.839 ( 0.000 0.000 32.223) 32.223 4.932 ( 0.000 0.000 4.657) 4.657 5.038 ( 0.000 0.000 -7.274) 7.274 5.358 ( 0.000 0.000 32.188) 32.188 5.437 ( 0.000 0.000 4.339) 4.339 5.481 ( 0.000 0.000 1.429) 1.429 6.036 ( 0.000 0.000 15.244) 15.244 6.124 ( 0.000 0.000 22.640) 22.640 6.355 ( 0.000 0.000 34.345) 34.345 6.654 ( 0.000 0.000 2.960) 2.960 6.811 ( 0.000 0.000 5.791) 5.791 6.946 ( 0.000 0.000 10.103) 10.103 7.140 ( 0.000 0.000 11.215) 11.215 7.402 ( 0.000 0.000 34.547) 34.547 7.773 ( 0.000 0.000 -9.397) 9.397 7.794 ( 0.000 0.000 28.677) 28.677 8.027 ( 0.000 0.000 12.151) 12.151 8.400 ( 0.000 0.000 1.249) 1.249 8.630 ( 0.000 0.000 12.005) 12.005 8.841 ( 0.000 0.000 -2.032) 2.032 8.895 ( 0.000 0.000 -9.774) 9.774 9.168 ( 0.000 0.000 -3.975) 3.975 9.186 ( 0.000 0.000 8.220) 8.220 9.603 ( 0.000 0.000 3.162) 3.162 9.740 ( 0.000 0.000 -2.786) 2.786 9.960 ( 0.000 0.000 1.170) 1.170 10.073 ( 0.000 0.000 -1.900) 1.900 10.088 ( 0.000 0.000 7.748) 7.748 10.164 ( 0.000 0.000 11.706) 11.706 10.322 ( 0.000 0.000 -24.511) 24.511 10.594 ( 0.000 0.000 5.570) 5.570 10.863 ( 0.000 0.000 3.737) 3.737 11.054 ( 0.000 0.000 -2.209) 2.209 11.400 ( 0.000 0.000 -1.780) 1.780 11.662 ( 0.000 0.000 -6.941) 6.941 11.674 ( 0.000 0.000 -4.586) 4.586 11.819 ( 0.000 0.000 4.778) 4.778 11.888 ( 0.000 0.000 -4.788) 4.788 11.925 ( 0.000 0.000 -11.625) 11.625 12.015 ( 0.000 0.000 12.855) 12.855 12.087 ( 0.000 0.000 -0.826) 0.826 12.348 ( 0.000 0.000 -17.183) 17.183 12.698 ( 0.000 0.000 -7.024) 7.024 12.894 ( 0.000 0.000 -22.042) 22.042 12.926 ( 0.000 0.000 -8.242) 8.242 13.018 ( 0.000 0.000 -17.325) 17.325 13.151 ( 0.000 0.000 -5.100) 5.100 13.198 ( 0.000 0.000 -6.603) 6.603 13.290 ( 0.000 0.000 -6.037) 6.037 13.391 ( 0.000 0.000 -17.468) 17.468 13.607 ( 0.000 0.000 -20.657) 20.657 13.886 ( 0.000 0.000 3.473) 3.473 13.946 ( 0.000 0.000 -1.548) 1.548 14.033 ( 0.000 0.000 -0.480) 0.480 14.218 ( 0.000 0.000 -1.622) 1.622 14.433 ( 0.000 0.000 -0.889) 0.889 14.494 ( 0.000 0.000 2.129) 2.129 14.544 ( 0.000 0.000 2.377) 2.377 15.292 ( 0.000 0.000 6.133) 6.133 15.461 ( 0.000 0.000 21.502) 21.502 16.042 ( 0.000 0.000 1.378) 1.378 16.112 ( 0.000 0.000 -2.731) 2.731 16.551 ( 0.000 0.000 -13.550) 13.550 16.569 ( 0.000 0.000 -0.690) 0.690 17.516 ( 0.000 0.000 21.112) 21.112 17.549 ( 0.000 0.000 9.664) 9.664 17.889 ( 0.000 0.000 -27.120) 27.120 18.253 ( 0.000 0.000 -12.956) 12.956 18.387 ( 0.000 0.000 -12.788) 12.788 18.906 ( 0.000 0.000 10.134) 10.134 19.280 ( 0.000 0.000 -15.489) 15.489 19.659 ( 0.000 0.000 -6.030) 6.030 20.283 ( 0.000 0.000 -11.305) 11.305 20.893 ( 0.000 0.000 -16.827) 16.827 21.214 ( 0.000 0.000 4.067) 4.067 21.568 ( 0.000 0.000 -0.371) 0.371 22.057 ( 0.000 0.000 8.383) 8.383 22.355 ( 0.000 0.000 7.979) 7.979 22.733 ( 0.000 0.000 5.453) 5.453 23.227 ( 0.000 0.000 -0.273) 0.273 23.230 ( 0.000 0.000 2.492) 2.492 23.249 ( 0.000 0.000 5.848) 5.848 23.661 ( 0.000 0.000 8.787) 8.787 23.994 ( 0.000 0.000 -1.577) 1.577 24.321 ( 0.000 0.000 12.448) 12.448 24.688 ( 0.000 0.000 11.720) 11.720 24.719 ( 0.000 0.000 3.534) 3.534 24.960 ( 0.000 0.000 5.878) 5.878 25.090 ( 0.000 0.000 1.347) 1.347 25.195 ( 0.000 0.000 5.274) 5.274 25.298 ( 0.000 0.000 -2.463) 2.463 25.368 ( 0.000 0.000 8.737) 8.737 25.488 ( 0.000 0.000 -12.954) 12.954 25.617 ( 0.000 0.000 5.945) 5.945 25.868 ( 0.000 0.000 -3.181) 3.181 26.018 ( 0.000 0.000 -11.312) 11.312 26.185 ( 0.000 0.000 0.510) 0.510 26.706 ( 0.000 0.000 -14.381) 14.381 27.250 ( 0.000 0.000 12.354) 12.354 27.426 ( 0.000 0.000 13.005) 13.005 27.672 ( 0.000 0.000 16.133) 16.133 27.966 ( 0.000 0.000 10.534) 10.534 28.141 ( 0.000 0.000 11.096) 11.096 28.406 ( 0.000 0.000 2.685) 2.685 28.625 ( 0.000 0.000 -0.881) 0.881 29.212 ( 0.000 0.000 -11.997) 11.997 35.069 ( 0.000 0.000 -0.463) 0.463 35.074 ( 0.000 0.000 1.913) 1.913 35.142 ( 0.000 0.000 2.155) 2.155 35.246 ( 0.000 0.000 -1.312) 1.312 35.252 ( 0.000 0.000 -2.731) 2.731 35.277 ( 0.000 0.000 1.275) 1.275 35.333 ( 0.000 0.000 -2.378) 2.378 35.850 ( 0.000 0.000 -3.468) 3.468 35.851 ( 0.000 0.000 6.129) 6.129 35.874 ( 0.000 0.000 6.548) 6.548 36.364 ( 0.000 0.000 -2.584) 2.584 36.503 ( 0.000 0.000 -8.250) 8.250 37.121 ( 0.000 0.000 10.899) 10.899 38.137 ( 0.000 0.000 -1.604) 1.604 38.545 ( 0.000 0.000 -19.059) 19.059 38.690 ( 0.000 0.000 -7.429) 7.429 38.815 ( 0.000 0.000 2.125) 2.125 39.011 ( 0.000 0.000 -16.438) 16.438 39.035 ( 0.000 0.000 -9.181) 9.181 39.365 ( 0.000 0.000 -8.557) 8.557 ======================= Grid point 76 (29/54) ======================= q-point: ( 0.20 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.098 ( -6.029 0.000 5.087) 7.888 2.224 ( -2.584 0.000 -4.639) 5.310 2.443 ( 6.238 0.000 6.263) 8.839 2.496 ( 6.084 0.000 19.789) 20.703 2.551 ( 0.056 0.000 3.622) 3.623 2.611 ( 0.663 0.000 1.436) 1.582 2.651 ( 0.986 0.000 -0.409) 1.067 2.662 ( -0.967 0.000 0.746) 1.221 2.752 ( 1.262 0.000 -1.351) 1.848 2.767 ( 0.609 0.000 -1.320) 1.453 2.806 ( -0.642 0.000 1.969) 2.071 2.840 ( -0.727 0.000 -2.023) 2.149 3.512 ( 4.687 0.000 18.881) 19.454 3.866 ( 10.941 0.000 17.116) 20.314 4.078 ( 5.062 0.000 1.060) 5.171 4.338 ( 3.520 0.000 -13.084) 13.549 4.420 ( -11.269 0.000 12.985) 17.193 4.691 ( -7.356 0.000 6.038) 9.517 5.011 ( 0.384 0.000 -3.489) 3.510 5.043 ( 9.611 0.000 0.961) 9.659 5.198 ( -12.624 0.000 2.489) 12.867 5.334 ( 6.121 0.000 20.597) 21.487 5.452 ( 18.447 0.000 8.700) 20.396 5.746 ( 26.423 0.000 35.819) 44.510 6.034 ( -1.622 0.000 20.849) 20.912 6.134 ( 7.583 0.000 18.184) 19.702 6.440 ( 6.246 0.000 24.268) 25.059 6.668 ( -8.948 0.000 7.932) 11.957 6.695 ( -1.530 0.000 7.857) 8.004 6.941 ( 6.640 0.000 0.017) 6.640 7.230 ( 7.972 0.000 9.275) 12.230 7.436 ( -1.386 0.000 33.629) 33.658 7.700 ( -8.167 0.000 -1.286) 8.268 7.724 ( -2.974 0.000 31.806) 31.945 8.076 ( -3.228 0.000 17.835) 18.124 8.495 ( 9.066 0.000 4.402) 10.078 8.508 ( -10.326 0.000 1.790) 10.480 8.695 ( -14.453 0.000 5.934) 15.623 8.957 ( 3.933 0.000 -2.230) 4.522 9.069 ( -6.445 0.000 -5.498) 8.471 9.163 ( -13.058 0.000 -6.363) 14.525 9.425 ( -14.410 0.000 2.534) 14.631 9.436 ( -11.890 0.000 10.399) 15.796 9.808 ( -7.519 0.000 -0.252) 7.523 9.844 ( -9.893 0.000 0.250) 9.896 10.066 ( -4.779 0.000 -4.083) 6.286 10.268 ( -9.936 0.000 -13.988) 17.158 10.369 ( 3.679 0.000 -1.139) 3.851 10.629 ( 4.563 0.000 7.821) 9.055 10.814 ( -2.180 0.000 2.278) 3.153 11.062 ( 10.208 0.000 -9.810) 14.158 11.587 ( -5.152 0.000 -7.913) 9.442 11.652 ( 15.046 0.000 10.741) 18.487 11.745 ( -4.658 0.000 2.637) 5.352 11.782 ( -4.311 0.000 -11.646) 12.419 11.804 ( 7.018 0.000 -7.306) 10.131 12.023 ( 1.356 0.000 10.076) 10.167 12.113 ( 12.458 0.000 -13.204) 18.153 12.289 ( 13.928 0.000 2.015) 14.073 12.506 ( -10.106 0.000 -11.205) 15.089 12.589 ( 20.114 0.000 -12.080) 23.463 12.867 ( -0.509 0.000 -2.021) 2.085 12.895 ( -0.131 0.000 -23.922) 23.922 13.086 ( -9.825 0.000 -8.409) 12.933 13.098 ( -6.419 0.000 -6.265) 8.970 13.237 ( 3.254 0.000 -5.506) 6.395 13.254 ( 8.682 0.000 -11.174) 14.150 13.285 ( -9.362 0.000 -10.858) 14.337 13.648 ( -2.062 0.000 -12.647) 12.814 13.812 ( 0.674 0.000 -7.062) 7.094 13.864 ( -13.082 0.000 -1.751) 13.199 14.032 ( 2.477 0.000 -1.397) 2.844 14.323 ( 6.298 0.000 -2.247) 6.687 14.348 ( -3.449 0.000 0.594) 3.500 14.495 ( -0.085 0.000 1.085) 1.088 14.538 ( -1.612 0.000 4.050) 4.359 15.550 ( 19.025 0.000 1.059) 19.055 15.607 ( 13.778 0.000 20.415) 24.629 16.011 ( -1.986 0.000 1.463) 2.467 16.213 ( 9.819 0.000 -2.586) 10.154 16.493 ( -4.313 0.000 -5.965) 7.361 16.628 ( 3.834 0.000 -5.306) 6.547 17.285 ( -18.759 0.000 19.052) 26.737 17.342 ( -16.150 0.000 4.755) 16.836 18.020 ( 8.728 0.000 -27.912) 29.245 18.286 ( 2.337 0.000 -11.825) 12.054 18.462 ( 6.196 0.000 -16.443) 17.571 18.948 ( -1.330 0.000 5.759) 5.910 19.386 ( 14.069 0.000 -9.668) 17.071 19.660 ( 1.649 0.000 -4.465) 4.760 20.298 ( -1.661 0.000 -5.609) 5.850 20.724 ( -15.624 0.000 -11.813) 19.587 21.033 ( -10.380 0.000 1.921) 10.556 21.508 ( -8.235 0.000 -1.824) 8.435 22.146 ( 7.895 0.000 4.830) 9.255 22.488 ( 11.648 0.000 7.043) 13.612 22.685 ( -4.948 0.000 4.113) 6.434 23.156 ( -6.633 0.000 0.525) 6.654 23.197 ( -0.722 0.000 3.951) 4.016 23.276 ( 0.466 0.000 5.385) 5.405 23.719 ( 5.639 0.000 7.817) 9.639 24.025 ( 1.823 0.000 -1.622) 2.440 24.357 ( 3.369 0.000 12.771) 13.208 24.636 ( -4.079 0.000 12.230) 12.892 24.684 ( -2.293 0.000 5.399) 5.865 25.000 ( 3.265 0.000 6.682) 7.437 25.100 ( -9.382 0.000 3.995) 10.197 25.166 ( 4.847 0.000 2.357) 5.390 25.309 ( 1.334 0.000 3.335) 3.592 25.314 ( -4.784 0.000 8.152) 9.452 25.540 ( -3.537 0.000 7.950) 8.701 25.595 ( 8.928 0.000 -13.436) 16.132 25.848 ( -5.027 0.000 7.990) 9.440 25.985 ( -2.906 0.000 -12.128) 12.471 26.203 ( 4.358 0.000 -11.335) 12.144 26.643 ( -6.287 0.000 -12.904) 14.354 27.340 ( 8.637 0.000 10.960) 13.954 27.516 ( 8.416 0.000 13.265) 15.709 27.560 ( 0.773 0.000 13.976) 13.997 28.067 ( -7.098 0.000 10.687) 12.829 28.154 ( 2.603 0.000 10.301) 10.625 28.309 ( -9.250 0.000 4.093) 10.115 28.655 ( 7.426 0.000 -7.266) 10.389 29.229 ( -0.133 0.000 -11.359) 11.360 35.046 ( -0.735 0.000 0.802) 1.088 35.088 ( -0.225 0.000 -0.163) 0.278 35.163 ( 1.965 0.000 1.326) 2.370 35.243 ( -0.518 0.000 -2.016) 2.082 35.246 ( 0.102 0.000 -1.283) 1.287 35.305 ( 2.484 0.000 1.815) 3.077 35.306 ( -1.985 0.000 -1.728) 2.632 35.654 ( -8.860 0.000 3.052) 9.371 35.962 ( 7.402 0.000 3.900) 8.366 36.067 ( 10.596 0.000 -0.667) 10.617 36.333 ( -2.979 0.000 -1.543) 3.354 36.479 ( -2.381 0.000 -7.484) 7.854 37.234 ( 10.644 0.000 8.352) 13.529 38.186 ( 4.797 0.000 -2.179) 5.269 38.265 ( -18.196 0.000 -8.738) 20.186 38.713 ( -8.350 0.000 -2.332) 8.669 38.863 ( 8.090 0.000 -14.198) 16.341 39.039 ( 0.167 0.000 -10.362) 10.363 39.073 ( 4.481 0.000 -11.598) 12.434 39.334 ( -2.963 0.000 -8.314) 8.826 ======================= Grid point 77 (30/54) ======================= q-point: ( 0.40 0.00 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 1.848 0.000 0.773) 2.003 2.140 ( -5.212 0.000 -3.434) 6.241 2.530 ( 2.701 0.000 3.866) 4.716 2.561 ( -0.031 0.000 3.201) 3.201 2.605 ( 3.303 0.000 6.581) 7.363 2.627 ( 0.497 0.000 2.217) 2.272 2.643 ( 0.470 0.000 1.495) 1.567 2.666 ( -0.725 0.000 1.318) 1.504 2.776 ( 1.032 0.000 -0.895) 1.366 2.789 ( 1.573 0.000 -1.037) 1.884 2.792 ( -0.645 0.000 -0.031) 0.645 2.820 ( -1.285 0.000 -1.618) 2.066 3.723 ( 16.803 0.000 24.145) 29.416 4.095 ( 9.864 0.000 0.422) 9.873 4.122 ( -19.347 0.000 19.073) 27.168 4.187 ( 2.351 0.000 -1.244) 2.660 4.433 ( 6.140 0.000 -3.313) 6.976 4.567 ( -5.664 0.000 12.714) 13.919 4.884 ( -3.691 0.000 -7.262) 8.146 5.003 ( -9.973 0.000 0.341) 9.979 5.183 ( 3.551 0.000 5.790) 6.792 5.249 ( -4.422 0.000 16.192) 16.785 5.838 ( 16.413 0.000 12.828) 20.831 6.181 ( 13.435 0.000 21.888) 25.683 6.227 ( -19.776 0.000 8.419) 21.494 6.444 ( -7.123 0.000 27.784) 28.682 6.498 ( 40.113 0.000 17.982) 43.959 6.684 ( 36.985 0.000 9.640) 38.221 6.824 ( 16.523 0.000 10.906) 19.798 7.127 ( -15.900 0.000 23.017) 27.975 7.293 ( 21.438 0.000 11.571) 24.362 7.310 ( -30.064 0.000 7.708) 31.036 7.585 ( -33.572 0.000 34.144) 47.884 7.651 ( -19.099 0.000 18.442) 26.550 7.693 ( 26.521 0.000 20.163) 33.315 8.306 ( 3.362 0.000 5.879) 6.772 8.346 ( -33.215 0.000 17.296) 37.448 8.537 ( -11.445 0.000 -1.082) 11.496 8.929 ( 10.553 0.000 -9.090) 13.928 8.976 ( 1.700 0.000 2.915) 3.375 9.057 ( -0.353 0.000 -16.054) 16.058 9.105 ( -11.311 0.000 6.860) 13.229 9.426 ( 3.301 0.000 3.557) 4.852 9.598 ( -13.514 0.000 7.971) 15.689 9.946 ( 15.351 0.000 -7.187) 16.950 9.964 ( -1.724 0.000 -11.234) 11.366 10.043 ( -8.985 0.000 -12.045) 15.027 10.251 ( -12.501 0.000 -6.327) 14.011 10.737 ( 3.956 0.000 5.214) 6.545 10.789 ( -1.399 0.000 3.677) 3.934 11.370 ( 16.055 0.000 -8.351) 18.097 11.532 ( 0.597 0.000 -7.261) 7.286 11.606 ( -6.232 0.000 -2.999) 6.916 11.631 ( -9.476 0.000 -5.454) 10.933 11.928 ( 9.616 0.000 7.821) 12.395 11.977 ( 9.274 0.000 -8.079) 12.300 12.038 ( -1.213 0.000 10.154) 10.226 12.189 ( -11.710 0.000 -9.189) 14.885 12.423 ( 17.002 0.000 -18.358) 25.021 12.694 ( 14.197 0.000 0.947) 14.229 12.759 ( -14.992 0.000 -20.718) 25.574 12.903 ( 5.855 0.000 -13.528) 14.741 12.912 ( -7.624 0.000 0.217) 7.627 12.968 ( 8.019 0.000 -0.941) 8.074 13.044 ( -3.732 0.000 -7.793) 8.641 13.144 ( 13.207 0.000 -5.471) 14.296 13.184 ( -8.695 0.000 1.058) 8.759 13.453 ( 7.976 0.000 -11.044) 13.623 13.540 ( -18.879 0.000 -4.275) 19.357 13.567 ( -3.899 0.000 -10.496) 11.197 13.885 ( 4.893 0.000 -11.971) 12.933 13.994 ( -5.023 0.000 -7.105) 8.701 14.374 ( 4.707 0.000 3.195) 5.689 14.425 ( 3.822 0.000 -1.767) 4.211 14.475 ( -4.479 0.000 3.996) 6.002 14.480 ( -1.642 0.000 -0.598) 1.748 15.846 ( 9.134 0.000 -0.534) 9.150 15.961 ( -3.386 0.000 1.036) 3.541 15.965 ( 20.052 0.000 16.320) 25.854 16.328 ( -13.570 0.000 4.885) 14.423 16.532 ( 20.797 0.000 -1.885) 20.883 16.725 ( 6.258 0.000 -2.338) 6.681 16.920 ( -14.445 0.000 8.664) 16.844 16.966 ( -20.732 0.000 1.056) 20.759 18.184 ( 7.239 0.000 -27.593) 28.527 18.291 ( -2.720 0.000 -18.689) 18.886 18.618 ( 9.157 0.000 -15.070) 17.634 18.815 ( -9.647 0.000 -7.597) 12.279 19.790 ( 11.882 0.000 1.593) 11.988 19.812 ( 24.986 0.000 -1.972) 25.064 20.100 ( -16.256 0.000 3.917) 16.722 20.315 ( -23.736 0.000 -4.779) 24.213 21.017 ( 8.434 0.000 -3.955) 9.315 21.265 ( -13.998 0.000 -3.312) 14.384 22.336 ( 10.255 0.000 1.443) 10.356 22.538 ( -9.184 0.000 1.721) 9.344 22.747 ( 12.793 0.000 4.507) 13.564 22.981 ( -10.308 0.000 2.289) 10.559 23.214 ( 2.069 0.000 5.210) 5.606 23.259 ( -1.907 0.000 5.714) 6.024 23.870 ( 8.514 0.000 4.717) 9.733 24.011 ( -4.127 0.000 0.004) 4.127 24.446 ( 5.034 0.000 13.465) 14.375 24.547 ( -4.776 0.000 13.441) 14.264 24.679 ( 2.979 0.000 9.869) 10.309 24.836 ( -12.501 0.000 11.578) 17.039 25.082 ( 4.954 0.000 7.529) 9.013 25.197 ( -6.230 0.000 7.934) 10.088 25.282 ( 4.861 0.000 3.915) 6.242 25.330 ( -0.051 0.000 5.033) 5.033 25.549 ( 4.235 0.000 7.606) 8.705 25.690 ( -8.724 0.000 9.413) 12.834 25.780 ( 8.238 0.000 -14.753) 16.897 25.909 ( -4.764 0.000 -14.145) 14.925 26.343 ( 7.914 0.000 -15.344) 17.264 26.497 ( -7.442 0.000 -13.398) 15.327 27.573 ( 13.290 0.000 9.551) 16.366 27.725 ( 12.973 0.000 8.684) 15.611 27.726 ( 8.948 0.000 12.558) 15.419 27.884 ( -7.668 0.000 9.251) 12.016 28.004 ( -13.129 0.000 7.963) 15.355 28.061 ( -14.274 0.000 7.786) 16.259 28.909 ( 14.096 0.000 -9.690) 17.106 29.146 ( -8.441 0.000 -10.528) 13.494 35.046 ( 0.703 0.000 0.218) 0.737 35.069 ( -1.352 0.000 -0.317) 1.388 35.204 ( 1.774 0.000 -0.805) 1.948 35.230 ( -0.861 0.000 -1.717) 1.921 35.252 ( 0.573 0.000 -1.303) 1.424 35.271 ( -1.332 0.000 -1.407) 1.937 35.378 ( 4.799 0.000 3.800) 6.121 35.496 ( -6.829 0.000 4.163) 7.998 36.120 ( 7.451 0.000 1.066) 7.527 36.249 ( -5.294 0.000 -0.186) 5.297 36.263 ( 8.512 0.000 -3.011) 9.029 36.403 ( -5.303 0.000 -5.498) 7.639 37.519 ( 16.831 0.000 3.281) 17.148 37.885 ( -18.969 0.000 -2.136) 19.088 38.325 ( 8.678 0.000 -3.384) 9.314 38.520 ( -10.169 0.000 -3.986) 10.923 38.979 ( 3.849 0.000 -13.661) 14.193 39.030 ( -1.345 0.000 -12.398) 12.471 39.166 ( 4.592 0.000 -8.863) 9.982 39.257 ( -4.363 0.000 -8.108) 9.207 ======================= Grid point 80 (31/54) ======================= q-point: ( 0.00 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.300 ( 0.000 4.638 3.039) 5.545 2.325 ( 0.000 6.826 -1.914) 7.089 2.366 ( 0.000 4.720 9.930) 10.995 2.453 ( 0.000 1.443 15.034) 15.104 2.510 ( 0.000 -3.932 4.468) 5.952 2.568 ( 0.000 -3.213 0.051) 3.214 2.659 ( 0.000 1.614 0.438) 1.672 2.705 ( 0.000 2.196 1.410) 2.610 2.722 ( 0.000 -1.158 -1.749) 2.098 2.752 ( 0.000 -0.378 0.087) 0.388 2.827 ( 0.000 1.003 1.613) 1.900 2.850 ( 0.000 0.019 -1.532) 1.533 3.711 ( 0.000 21.952 16.142) 27.249 3.837 ( 0.000 8.469 32.335) 33.425 4.178 ( 0.000 13.605 4.100) 14.209 4.312 ( 0.000 -2.539 3.703) 4.490 4.549 ( 0.000 -11.866 11.843) 16.765 4.755 ( 0.000 -2.906 0.344) 2.926 4.802 ( 0.000 1.245 -3.093) 3.334 4.932 ( 0.000 -2.447 -5.294) 5.833 4.995 ( 0.000 -3.371 10.414) 10.946 5.156 ( 0.000 -11.662 6.598) 13.399 5.336 ( 0.000 -1.003 7.819) 7.883 5.727 ( 0.000 17.828 30.090) 34.975 6.063 ( 0.000 4.092 18.683) 19.125 6.092 ( 0.000 -4.957 17.525) 18.213 6.453 ( 0.000 3.801 30.737) 30.971 6.599 ( 0.000 -29.292 26.884) 39.759 6.733 ( 0.000 4.667 9.034) 10.169 6.870 ( 0.000 -10.199 -15.841) 18.840 7.188 ( 0.000 18.898 -5.356) 19.642 7.398 ( 0.000 1.493 29.561) 29.598 7.760 ( 0.000 -0.177 26.081) 26.082 8.042 ( 0.000 22.067 8.042) 23.487 8.136 ( 0.000 10.483 15.864) 19.015 8.379 ( 0.000 -7.005 2.302) 7.374 8.554 ( 0.000 -16.700 -5.214) 17.495 8.595 ( 0.000 -2.918 10.021) 10.437 8.859 ( 0.000 -4.417 -4.811) 6.531 9.038 ( 0.000 -11.493 3.925) 12.145 9.058 ( 0.000 -10.472 -3.415) 11.015 9.385 ( 0.000 -22.463 -3.463) 22.728 9.819 ( 0.000 5.762 -1.671) 5.999 9.927 ( 0.000 0.201 6.139) 6.142 9.994 ( 0.000 -7.496 6.960) 10.229 10.005 ( 0.000 -2.942 8.991) 9.460 10.357 ( 0.000 16.283 4.454) 16.881 10.532 ( 0.000 8.777 -10.380) 13.594 10.743 ( 0.000 16.076 -1.784) 16.175 10.905 ( 0.000 10.677 -1.345) 10.762 11.237 ( 0.000 6.908 -8.096) 10.642 11.312 ( 0.000 -6.071 -5.982) 8.523 11.503 ( 0.000 -14.586 3.742) 15.058 11.553 ( 0.000 -9.745 -1.806) 9.911 11.771 ( 0.000 -8.170 -12.936) 15.300 11.822 ( 0.000 10.215 2.129) 10.435 11.877 ( 0.000 -4.820 -11.757) 12.706 12.101 ( 0.000 1.014 -3.752) 3.887 12.356 ( 0.000 18.963 4.598) 19.512 12.456 ( 0.000 3.851 -5.273) 6.530 12.603 ( 0.000 -13.084 -9.285) 16.044 12.709 ( 0.000 2.696 -14.678) 14.924 12.948 ( 0.000 -6.059 -7.575) 9.700 12.949 ( 0.000 -4.893 -14.177) 14.998 13.171 ( 0.000 2.476 -3.123) 3.986 13.225 ( 0.000 -4.305 -4.505) 6.231 13.377 ( 0.000 11.367 -9.129) 14.579 13.513 ( 0.000 10.042 -16.174) 19.038 13.647 ( 0.000 4.462 -16.897) 17.477 13.807 ( 0.000 -10.080 -3.880) 10.801 13.876 ( 0.000 -1.927 -0.695) 2.049 13.968 ( 0.000 -6.538 -2.841) 7.129 14.192 ( 0.000 -1.254 -2.460) 2.762 14.388 ( 0.000 -4.832 0.626) 4.872 14.563 ( 0.000 3.729 -0.045) 3.729 14.576 ( 0.000 2.822 2.329) 3.659 15.413 ( 0.000 8.803 8.552) 12.273 15.461 ( 0.000 0.052 20.749) 20.749 16.092 ( 0.000 0.617 -5.160) 5.196 16.105 ( 0.000 6.806 -0.145) 6.808 16.507 ( 0.000 -6.831 -4.819) 8.360 16.507 ( 0.000 -4.808 -11.005) 12.009 17.402 ( 0.000 -6.244 8.566) 10.600 17.451 ( 0.000 -7.439 6.619) 9.958 18.104 ( 0.000 15.480 -22.337) 27.177 18.327 ( 0.000 7.376 -1.043) 7.449 18.403 ( 0.000 0.425 -14.828) 14.834 18.816 ( 0.000 -9.090 11.056) 14.313 19.339 ( 0.000 5.272 -13.611) 14.597 19.598 ( 0.000 -5.565 -7.002) 8.945 20.324 ( 0.000 4.473 -9.419) 10.427 20.746 ( 0.000 -12.127 -12.398) 17.343 21.431 ( 0.000 20.758 3.269) 21.014 21.756 ( 0.000 16.171 -2.614) 16.381 22.092 ( 0.000 3.121 8.278) 8.847 22.314 ( 0.000 -3.709 7.842) 8.675 22.598 ( 0.000 -19.857 6.545) 20.907 22.805 ( 0.000 -28.597 3.377) 28.796 23.007 ( 0.000 -6.191 -0.686) 6.229 23.173 ( 0.000 -5.090 0.042) 5.090 23.982 ( 0.000 16.788 11.759) 20.497 24.183 ( 0.000 6.003 7.444) 9.562 24.475 ( 0.000 18.534 6.716) 19.714 24.740 ( 0.000 2.629 2.973) 3.969 24.755 ( 0.000 5.865 9.844) 11.459 24.989 ( 0.000 2.326 5.730) 6.185 25.065 ( 0.000 -2.314 1.942) 3.020 25.149 ( 0.000 -3.216 5.275) 6.178 25.236 ( 0.000 -5.984 -1.234) 6.110 25.376 ( 0.000 -16.322 1.866) 16.429 25.433 ( 0.000 5.313 7.235) 8.976 25.543 ( 0.000 -0.014 -10.137) 10.137 25.831 ( 0.000 -3.081 -2.771) 4.144 25.902 ( 0.000 -7.703 5.674) 9.567 26.315 ( 0.000 8.847 -10.410) 13.661 26.644 ( 0.000 -5.792 -14.272) 15.402 27.285 ( 0.000 3.412 13.098) 13.535 27.483 ( 0.000 1.654 14.722) 14.815 27.623 ( 0.000 -0.717 13.324) 13.343 27.908 ( 0.000 -5.518 10.355) 11.734 28.166 ( 0.000 2.288 10.846) 11.084 28.337 ( 0.000 -5.743 6.385) 8.588 28.668 ( 0.000 5.601 -1.397) 5.773 29.095 ( 0.000 -10.531 -9.656) 14.288 35.108 ( 0.000 3.024 1.230) 3.264 35.129 ( 0.000 1.382 4.890) 5.081 35.225 ( 0.000 3.065 -3.508) 4.659 35.231 ( 0.000 -0.750 -2.849) 2.946 35.261 ( 0.000 0.366 -2.167) 2.197 35.275 ( 0.000 -0.235 -1.755) 1.770 35.471 ( 0.000 16.900 -5.767) 17.857 35.826 ( 0.000 -1.871 -0.119) 1.875 35.872 ( 0.000 2.341 5.486) 5.964 35.918 ( 0.000 3.114 1.325) 3.384 36.332 ( 0.000 -2.416 -1.517) 2.853 36.455 ( 0.000 -4.838 -7.643) 9.045 37.225 ( 0.000 10.297 8.497) 13.350 37.917 ( 0.000 -18.268 -0.631) 18.279 38.493 ( 0.000 -2.577 -13.341) 13.587 38.617 ( 0.000 -6.113 -9.452) 11.256 38.892 ( 0.000 5.666 -6.401) 8.549 39.017 ( 0.000 -0.042 -14.588) 14.588 39.170 ( 0.000 9.412 -7.472) 12.017 39.364 ( 0.000 -0.543 -7.942) 7.961 ======================= Grid point 81 (32/54) ======================= q-point: ( 0.20 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.196 ( -4.780 8.224 4.704) 10.612 2.296 ( -2.874 6.227 -2.848) 7.426 2.463 ( 3.062 0.542 5.341) 6.180 2.482 ( 3.023 -2.765 9.544) 10.386 2.536 ( 3.000 -0.346 8.078) 8.624 2.575 ( 1.238 -2.526 0.986) 2.981 2.668 ( 0.369 0.796 0.211) 0.902 2.681 ( -0.769 1.393 1.449) 2.152 2.748 ( 1.319 -0.178 -0.868) 1.589 2.758 ( 0.583 -0.258 -0.163) 0.659 2.815 ( -1.039 0.687 1.096) 1.659 2.839 ( -1.003 -0.197 -1.287) 1.644 3.713 ( 2.012 18.553 17.696) 25.717 3.984 ( 12.310 8.717 25.067) 29.255 4.147 ( -0.024 4.630 8.245) 9.456 4.405 ( -6.833 0.679 7.334) 10.047 4.430 ( 5.303 7.826 -6.297) 11.359 4.731 ( -4.021 -8.527 2.925) 9.870 4.879 ( -7.519 -10.237 3.461) 13.164 4.919 ( 6.130 0.147 -2.530) 6.633 5.076 ( 5.326 -5.336 5.899) 9.573 5.263 ( 3.576 0.656 8.724) 9.451 5.427 ( 11.601 -13.112 13.297) 21.985 5.891 ( 15.798 16.488 28.232) 36.311 5.965 ( 4.050 -6.877 18.113) 19.793 6.227 ( 8.008 4.627 15.336) 17.909 6.481 ( -1.177 1.841 22.760) 22.865 6.549 ( 2.432 -10.292 19.830) 22.474 6.787 ( 1.023 5.781 14.522) 15.664 7.052 ( 15.038 -10.896 3.126) 18.832 7.085 ( -1.123 10.047 -0.109) 10.110 7.501 ( 6.869 2.018 19.833) 21.085 7.717 ( -10.440 12.349 8.084) 18.079 7.897 ( -3.959 9.069 28.312) 29.991 8.175 ( -2.948 5.071 16.972) 17.957 8.334 ( -10.237 -10.596 0.066) 14.733 8.445 ( -1.632 -5.656 11.753) 13.145 8.677 ( 1.257 -2.407 3.013) 4.056 8.839 ( -1.915 -3.652 -2.807) 4.989 8.961 ( -6.843 -9.723 -3.327) 12.346 9.090 ( -2.916 -8.420 -5.672) 10.563 9.308 ( -8.440 -17.128 4.625) 19.647 9.463 ( -19.766 4.567 -2.036) 20.389 9.686 ( -19.876 -4.881 3.634) 20.787 9.791 ( -12.213 -3.633 1.903) 12.884 10.030 ( 1.548 -6.832 2.594) 7.470 10.213 ( -11.388 8.295 -2.766) 14.358 10.619 ( 4.382 0.686 5.110) 6.767 10.788 ( -2.280 10.686 -2.323) 11.171 10.871 ( -0.585 21.165 -7.488) 22.458 11.238 ( 4.397 7.527 -10.799) 13.878 11.381 ( -9.033 -16.650 3.464) 19.257 11.467 ( 7.108 -6.056 -6.356) 11.296 11.534 ( 2.608 -10.829 -4.838) 12.144 11.760 ( 3.588 -6.531 -16.718) 18.303 11.932 ( 11.396 14.215 2.772) 18.429 12.141 ( 9.247 -5.042 -6.267) 12.256 12.285 ( 7.732 7.854 1.872) 11.179 12.320 ( 5.299 1.232 -3.126) 6.275 12.526 ( 0.538 6.626 -5.440) 8.590 12.650 ( 6.932 -7.201 -7.347) 12.405 12.697 ( 8.352 8.398 -13.278) 17.793 12.912 ( -0.831 -1.197 -5.287) 5.484 13.106 ( -4.074 0.600 -5.719) 7.047 13.132 ( 0.209 -2.212 -4.869) 5.352 13.164 ( 2.186 -3.999 -8.347) 9.510 13.338 ( -2.224 7.000 -7.954) 10.826 13.446 ( -5.941 13.203 -13.188) 19.584 13.640 ( -5.075 -0.982 -9.356) 10.689 13.774 ( 4.123 -3.217 -11.971) 13.064 13.835 ( -9.180 -3.649 -5.085) 11.111 13.990 ( 1.850 -5.006 -5.110) 7.389 14.135 ( -1.425 -5.657 3.909) 7.022 14.408 ( -2.931 -7.084 3.386) 8.381 14.467 ( -1.531 5.067 -1.867) 5.613 14.573 ( -2.824 -0.536 1.832) 3.408 15.587 ( 12.699 2.910 15.036) 19.895 15.712 ( 22.511 7.687 6.747) 24.726 16.063 ( -0.861 4.796 0.040) 4.873 16.178 ( 5.631 0.639 -3.595) 6.711 16.473 ( -1.401 -3.686 -8.555) 9.420 16.563 ( 3.332 -6.562 -5.608) 9.253 17.221 ( -15.979 -3.992 11.875) 20.305 17.271 ( -15.481 -5.812 5.558) 17.446 18.155 ( 4.919 11.520 -27.849) 30.536 18.361 ( 2.811 6.785 -5.801) 9.359 18.479 ( 5.575 1.138 -14.786) 15.843 18.880 ( 1.586 -7.927 7.357) 10.930 19.400 ( 9.253 2.511 -9.855) 13.750 19.609 ( 2.560 -4.712 -5.222) 7.485 20.298 ( -4.709 0.994 -4.437) 6.546 20.589 ( -14.707 -10.498 -7.855) 19.703 21.284 ( -7.647 22.360 0.901) 23.648 21.711 ( -7.334 18.257 -2.379) 19.819 22.138 ( 4.855 -3.130 3.872) 6.954 22.438 ( 9.386 -4.900 7.477) 12.962 22.601 ( 0.022 -10.916 6.071) 12.491 22.807 ( 0.831 -28.523 1.380) 28.569 22.999 ( -0.740 -8.042 1.154) 8.158 23.127 ( -4.367 -5.159 0.389) 6.770 24.020 ( 3.782 16.314 11.599) 20.371 24.200 ( 1.525 6.709 7.145) 9.919 24.490 ( 0.839 14.690 8.770) 17.129 24.660 ( -5.419 3.833 7.576) 10.072 24.755 ( -0.322 6.024 6.233) 8.674 25.028 ( -0.188 -0.156 7.195) 7.199 25.042 ( -7.553 -3.391 4.428) 9.389 25.124 ( 3.833 -4.275 3.430) 6.689 25.219 ( 0.513 -4.741 4.752) 6.733 25.350 ( 0.810 -10.654 4.317) 11.524 25.422 ( -2.906 3.667 7.208) 8.593 25.635 ( 6.809 0.855 -9.095) 11.393 25.801 ( -3.680 -2.252 6.530) 7.826 25.973 ( 6.700 -4.478 -8.940) 12.036 26.250 ( -4.389 5.998 -12.714) 14.727 26.569 ( -6.826 -6.653 -12.555) 15.764 27.369 ( 8.125 2.634 11.266) 14.138 27.521 ( 2.787 -3.505 13.507) 14.230 27.644 ( 9.802 11.617 11.376) 18.985 28.067 ( -2.540 -1.433 11.024) 11.403 28.114 ( -2.374 -1.469 9.694) 10.088 28.335 ( 4.532 -4.775 3.162) 7.303 28.581 ( -5.775 1.363 -2.685) 6.513 29.088 ( -2.012 -12.639 -8.639) 15.441 35.099 ( 0.106 3.812 1.705) 4.177 35.167 ( 2.685 1.444 3.112) 4.356 35.209 ( -1.389 3.196 -3.321) 4.814 35.232 ( 0.146 -0.754 -2.610) 2.721 35.257 ( -0.167 0.959 -3.114) 3.262 35.301 ( 2.189 -0.597 -0.494) 2.323 35.390 ( -5.652 11.664 -1.803) 13.086 35.656 ( -9.086 -0.246 1.828) 9.271 35.995 ( 8.467 3.744 2.056) 9.484 36.086 ( 9.958 1.569 -1.203) 10.152 36.318 ( -1.521 -1.111 -1.171) 2.218 36.439 ( -1.704 -4.146 -6.886) 8.216 37.322 ( 9.349 9.009 6.506) 14.522 37.973 ( 5.472 -17.648 -1.520) 18.540 38.276 ( -15.994 1.781 -8.705) 18.297 38.560 ( -7.716 -10.428 -7.853) 15.164 38.959 ( 5.408 5.723 -11.076) 13.589 39.075 ( 4.423 -0.167 -11.741) 12.547 39.161 ( -0.983 8.477 -8.359) 11.946 39.334 ( -2.850 -0.400 -7.847) 8.358 ======================= Grid point 82 (33/54) ======================= q-point: ( 0.40 0.25 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 1.061 8.861 1.589) 9.064 2.219 ( -4.224 7.104 -1.498) 8.400 2.491 ( 1.043 -4.055 3.071) 5.192 2.508 ( -0.464 -4.839 1.851) 5.202 2.619 ( 3.533 0.438 6.418) 7.340 2.630 ( 3.320 0.294 2.946) 4.448 2.662 ( -0.760 1.329 2.159) 2.647 2.672 ( -1.046 0.413 1.788) 2.112 2.770 ( 0.918 -0.319 -0.401) 1.051 2.775 ( 0.923 -0.355 0.177) 1.004 2.795 ( -0.587 -0.107 -0.288) 0.663 2.813 ( -1.538 -0.663 -0.785) 1.850 3.840 ( 10.924 12.294 19.117) 25.217 4.094 ( -10.403 1.581 17.256) 20.211 4.222 ( 7.947 6.279 8.338) 13.119 4.274 ( -0.857 9.244 -3.429) 9.897 4.574 ( 5.634 7.804 7.904) 12.454 4.642 ( -4.098 -6.389 8.665) 11.519 4.763 ( 2.172 -6.859 -0.902) 7.250 4.972 ( -7.127 1.156 3.095) 7.855 5.091 ( -2.986 -10.841 13.171) 17.318 5.138 ( -4.151 5.795 1.479) 7.280 5.705 ( 16.574 -14.561 10.454) 24.413 6.041 ( -10.868 -16.149 12.660) 23.220 6.254 ( 5.205 5.565 14.902) 16.737 6.410 ( 8.277 2.189 5.291) 10.064 6.601 ( 7.818 4.616 13.130) 15.963 6.736 ( 37.015 4.845 24.116) 44.442 6.981 ( 24.552 10.844 24.531) 36.362 7.112 ( -10.584 -8.066 16.038) 20.840 7.392 ( -6.283 12.240 16.542) 21.516 7.439 ( 12.863 7.181 12.803) 19.518 7.613 ( -10.594 10.373 19.806) 24.741 7.758 ( -27.906 9.903 16.057) 33.684 7.803 ( -0.849 5.632 26.623) 27.225 8.236 ( 10.278 -5.178 5.668) 12.829 8.282 ( -28.963 -6.076 17.545) 34.404 8.571 ( -13.326 2.902 0.250) 13.641 8.724 ( 4.231 -17.195 1.463) 17.769 8.916 ( 0.982 -6.277 -7.981) 10.201 8.976 ( -7.496 -6.377 2.809) 10.235 9.016 ( -3.658 -4.798 -4.846) 7.738 9.349 ( -4.566 -15.892 -9.627) 19.133 9.388 ( -9.625 -14.499 -2.602) 17.596 9.699 ( 6.422 2.058 1.817) 6.984 9.927 ( -13.562 8.502 -3.355) 16.354 10.205 ( 14.957 -8.180 -0.152) 17.048 10.552 ( -14.838 -7.695 -1.232) 16.760 10.772 ( 0.917 11.645 -1.624) 11.793 10.797 ( -1.768 18.924 -1.233) 19.046 11.285 ( 0.754 -9.003 -0.131) 9.036 11.317 ( -0.485 -3.293 -4.033) 5.229 11.579 ( 7.091 -0.800 -10.497) 12.693 11.649 ( 2.515 -5.989 -13.012) 14.543 11.850 ( 5.787 -7.602 -13.657) 16.667 12.026 ( -10.680 -9.403 -10.083) 17.439 12.196 ( 12.433 16.904 5.586) 21.715 12.368 ( -1.337 16.197 8.044) 18.134 12.491 ( 6.513 10.565 -11.516) 16.931 12.633 ( 0.974 -3.798 -10.552) 11.257 12.780 ( 11.019 -1.802 -5.138) 12.291 12.849 ( 2.915 0.369 -1.439) 3.272 12.955 ( -1.986 -2.244 -1.614) 3.403 13.021 ( -7.046 -3.300 -3.698) 8.614 13.115 ( 0.058 10.410 -3.040) 10.845 13.181 ( 14.866 3.504 -8.951) 17.703 13.277 ( -9.824 8.795 -4.043) 13.791 13.437 ( 4.549 -1.050 -11.340) 12.263 13.561 ( -2.576 0.837 -11.432) 11.749 13.573 ( -13.458 3.264 -6.336) 15.229 13.872 ( 3.802 -2.573 -15.692) 16.350 13.947 ( -3.805 -7.457 -10.846) 13.701 14.199 ( 5.558 -5.508 7.629) 10.928 14.312 ( -5.244 -6.006 6.155) 10.072 14.467 ( 0.472 -3.434 -1.437) 3.752 14.503 ( -3.191 -4.548 0.415) 5.571 15.856 ( 11.289 5.020 7.646) 14.530 15.990 ( -1.774 7.883 0.079) 8.080 16.189 ( 15.353 13.379 5.535) 21.103 16.360 ( 7.494 -8.246 -2.328) 11.383 16.445 ( 3.808 -0.806 -2.643) 4.705 16.640 ( 3.238 -6.465 1.274) 7.341 16.848 ( -16.963 -5.596 8.042) 19.590 16.929 ( -16.544 -3.634 1.212) 16.982 18.277 ( 6.516 8.816 -25.958) 28.178 18.379 ( -2.398 8.567 -14.452) 16.971 18.609 ( 7.951 -2.017 -15.994) 17.975 18.789 ( -8.656 -3.992 -7.582) 12.180 19.739 ( 20.401 -4.271 -1.262) 20.882 19.762 ( 14.002 -2.840 0.833) 14.311 20.077 ( -15.771 -1.779 2.850) 16.124 20.206 ( -21.864 -8.071 -2.397) 23.429 21.278 ( 6.943 23.188 -2.595) 24.344 21.493 ( -12.462 20.594 -2.480) 24.198 22.275 ( 8.302 -9.913 0.911) 12.962 22.445 ( -7.374 -12.357 3.033) 14.706 22.723 ( 9.996 -1.244 3.978) 10.830 22.841 ( 0.303 -14.653 2.265) 14.830 22.973 ( -1.236 -12.696 3.025) 13.110 23.019 ( -5.225 -9.609 1.234) 11.007 24.130 ( 6.491 15.494 9.880) 19.489 24.219 ( -1.006 11.775 6.658) 13.565 24.490 ( 0.099 0.945 13.960) 13.992 24.553 ( -5.417 2.028 10.564) 12.044 24.758 ( 1.099 8.134 8.033) 11.485 24.825 ( -6.739 2.108 9.765) 12.051 25.110 ( 4.352 1.742 7.214) 8.603 25.177 ( -0.765 -4.461 6.147) 7.634 25.254 ( 2.924 -2.382 4.611) 5.957 25.322 ( -4.108 1.841 6.527) 7.929 25.437 ( 6.182 -8.749 5.851) 12.207 25.595 ( -8.217 -7.230 7.089) 13.040 25.877 ( 8.426 7.386 -12.269) 16.616 26.015 ( -4.148 7.903 -11.928) 14.898 26.261 ( 6.275 -7.023 -15.082) 17.781 26.413 ( -7.935 -7.470 -13.062) 17.011 27.592 ( 13.064 1.655 9.614) 16.305 27.675 ( 11.401 -2.093 10.605) 15.711 27.837 ( -5.091 4.227 10.208) 12.165 27.934 ( -10.779 -2.036 9.996) 14.841 27.964 ( 6.551 10.046 6.810) 13.792 28.245 ( -13.568 14.033 4.427) 20.015 28.715 ( 14.508 -17.279 -5.442) 23.209 28.972 ( -9.765 -15.689 -7.110) 19.801 35.119 ( 1.831 5.199 0.252) 5.518 35.167 ( -2.527 5.419 -1.700) 6.216 35.221 ( 2.174 1.107 0.223) 2.449 35.237 ( 0.238 -1.093 -1.780) 2.103 35.254 ( 0.130 1.782 -3.386) 3.829 35.292 ( -3.315 4.890 -0.497) 5.929 35.373 ( 4.631 -0.744 2.290) 5.219 35.493 ( -7.079 -0.754 2.794) 7.648 36.156 ( 6.862 3.641 -0.344) 7.776 36.261 ( 1.338 0.924 -2.293) 2.811 36.268 ( 2.183 0.562 -1.441) 2.675 36.381 ( -4.158 -2.301 -5.032) 6.921 37.582 ( 15.684 6.653 2.035) 17.158 37.926 ( -17.835 4.532 -2.993) 18.644 38.132 ( 9.923 -15.809 -3.742) 19.037 38.355 ( -11.466 -13.194 -6.011) 18.485 39.059 ( 4.172 5.548 -11.476) 13.412 39.126 ( -2.496 6.720 -10.141) 12.419 39.168 ( 4.642 -0.068 -9.159) 10.269 39.259 ( -4.283 -0.138 -8.048) 9.118 ======================= Grid point 85 (34/54) ======================= q-point: ( 0.00 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.391 ( 0.000 -3.370 4.125) 5.327 2.391 ( 0.000 3.370 4.125) 5.327 2.451 ( 0.000 -2.406 7.674) 8.043 2.451 ( 0.000 2.406 7.674) 8.043 2.484 ( 0.000 -4.282 0.280) 4.291 2.484 ( 0.000 4.282 0.280) 4.291 2.690 ( 0.000 -1.757 -0.629) 1.866 2.690 ( 0.000 1.757 -0.629) 1.866 2.744 ( 0.000 -1.017 1.137) 1.526 2.744 ( 0.000 1.017 1.137) 1.526 2.844 ( 0.000 -0.615 -0.106) 0.624 2.844 ( 0.000 0.615 -0.106) 0.624 4.056 ( 0.000 -11.060 31.232) 33.132 4.056 ( 0.000 11.060 31.232) 33.132 4.282 ( 0.000 -25.161 14.964) 29.275 4.282 ( 0.000 25.161 14.964) 29.275 4.449 ( 0.000 -6.717 1.590) 6.903 4.449 ( 0.000 6.717 1.590) 6.903 4.894 ( 0.000 -4.740 2.246) 5.245 4.894 ( 0.000 4.740 2.246) 5.245 4.981 ( 0.000 -3.229 -8.275) 8.882 4.981 ( 0.000 3.229 -8.275) 8.882 5.748 ( 0.000 -32.318 10.035) 33.840 5.748 ( 0.000 32.318 10.035) 33.840 6.008 ( 0.000 -0.928 19.895) 19.917 6.008 ( 0.000 0.928 19.895) 19.917 6.313 ( 0.000 -16.067 35.055) 38.562 6.313 ( 0.000 16.067 35.055) 38.562 6.786 ( 0.000 -2.128 -3.223) 3.862 6.786 ( 0.000 2.128 -3.223) 3.862 7.457 ( 0.000 -0.776 11.928) 11.953 7.457 ( 0.000 0.776 11.928) 11.953 7.933 ( 0.000 -22.249 15.550) 27.145 7.933 ( 0.000 22.249 15.550) 27.145 8.343 ( 0.000 -3.188 17.272) 17.563 8.343 ( 0.000 3.188 17.272) 17.563 8.607 ( 0.000 -12.241 0.064) 12.241 8.607 ( 0.000 12.241 0.064) 12.241 8.751 ( 0.000 -20.331 -6.550) 21.360 8.751 ( 0.000 20.331 -6.550) 21.360 8.971 ( 0.000 -7.488 -2.905) 8.032 8.971 ( 0.000 7.488 -2.905) 8.032 9.905 ( 0.000 -2.784 5.178) 5.879 9.905 ( 0.000 2.784 5.178) 5.879 9.954 ( 0.000 -1.741 9.320) 9.481 9.954 ( 0.000 1.741 9.320) 9.481 10.573 ( 0.000 -4.560 -1.301) 4.742 10.573 ( 0.000 4.560 -1.301) 4.742 11.106 ( 0.000 -7.378 -6.264) 9.679 11.106 ( 0.000 7.378 -6.264) 9.679 11.287 ( 0.000 -10.815 -0.472) 10.825 11.287 ( 0.000 10.815 -0.472) 10.825 11.293 ( 0.000 -6.527 -4.240) 7.783 11.293 ( 0.000 6.527 -4.240) 7.783 11.714 ( 0.000 -4.035 -18.882) 19.308 11.714 ( 0.000 4.035 -18.882) 19.308 12.051 ( 0.000 -7.195 0.982) 7.261 12.051 ( 0.000 7.195 0.982) 7.261 12.446 ( 0.000 -0.733 -5.228) 5.279 12.446 ( 0.000 0.733 -5.228) 5.279 12.719 ( 0.000 -11.198 -4.276) 11.987 12.719 ( 0.000 11.198 -4.276) 11.987 12.848 ( 0.000 -3.418 -9.449) 10.049 12.848 ( 0.000 3.418 -9.449) 10.049 13.184 ( 0.000 -0.065 -2.785) 2.786 13.184 ( 0.000 0.065 -2.785) 2.786 13.590 ( 0.000 -9.513 -6.128) 11.316 13.590 ( 0.000 9.513 -6.128) 11.316 13.748 ( 0.000 -9.481 -8.580) 12.787 13.748 ( 0.000 9.481 -8.580) 12.787 13.795 ( 0.000 -8.871 -12.185) 15.072 13.795 ( 0.000 8.871 -12.185) 15.072 14.251 ( 0.000 -6.948 0.221) 6.951 14.251 ( 0.000 6.948 0.221) 6.951 14.609 ( 0.000 -0.495 0.294) 0.576 14.609 ( 0.000 0.495 0.294) 0.576 15.482 ( 0.000 -1.428 17.932) 17.989 15.482 ( 0.000 1.428 17.932) 17.989 16.213 ( 0.000 -5.531 -9.986) 11.415 16.213 ( 0.000 5.531 -9.986) 11.415 16.375 ( 0.000 -3.372 -4.994) 6.026 16.375 ( 0.000 3.372 -4.994) 6.026 17.348 ( 0.000 -1.393 3.891) 4.133 17.348 ( 0.000 1.393 3.891) 4.133 18.348 ( 0.000 -6.923 -25.490) 26.414 18.348 ( 0.000 6.923 -25.490) 26.414 18.561 ( 0.000 -14.603 15.515) 21.307 18.561 ( 0.000 14.603 15.515) 21.307 19.465 ( 0.000 -6.837 -9.991) 12.107 19.465 ( 0.000 6.837 -9.991) 12.107 20.488 ( 0.000 -11.636 -8.650) 14.498 20.488 ( 0.000 11.636 -8.650) 14.498 21.958 ( 0.000 -23.486 1.258) 23.520 21.958 ( 0.000 23.486 1.258) 23.520 22.138 ( 0.000 -0.422 5.047) 5.065 22.138 ( 0.000 0.422 5.047) 5.065 22.320 ( 0.000 -11.407 4.647) 12.317 22.320 ( 0.000 11.407 4.647) 12.317 23.051 ( 0.000 -6.027 0.247) 6.032 23.051 ( 0.000 6.027 0.247) 6.032 24.191 ( 0.000 -4.223 12.582) 13.272 24.191 ( 0.000 4.223 12.582) 13.272 24.813 ( 0.000 -1.565 3.636) 3.959 24.813 ( 0.000 1.565 3.636) 3.959 24.924 ( 0.000 -19.047 6.649) 20.174 24.924 ( 0.000 19.047 6.649) 20.174 25.057 ( 0.000 -3.587 2.998) 4.675 25.057 ( 0.000 3.587 2.998) 4.675 25.114 ( 0.000 -2.414 3.134) 3.956 25.114 ( 0.000 2.414 3.134) 3.956 25.534 ( 0.000 -3.092 -2.132) 3.756 25.534 ( 0.000 3.092 -2.132) 3.756 25.793 ( 0.000 -1.233 3.856) 4.049 25.793 ( 0.000 1.233 3.856) 4.049 26.494 ( 0.000 -8.528 -13.577) 16.033 26.494 ( 0.000 8.528 -13.577) 16.033 27.388 ( 0.000 -6.593 15.292) 16.652 27.388 ( 0.000 6.593 15.292) 16.652 27.755 ( 0.000 -9.099 10.099) 13.593 27.755 ( 0.000 9.099 10.099) 13.593 28.231 ( 0.000 -4.248 9.861) 10.737 28.231 ( 0.000 4.248 9.861) 10.737 28.852 ( 0.000 -11.831 -4.861) 12.791 28.852 ( 0.000 11.831 -4.861) 12.791 35.146 ( 0.000 -0.106 4.788) 4.789 35.146 ( 0.000 0.106 4.788) 4.789 35.231 ( 0.000 -0.763 -3.090) 3.183 35.231 ( 0.000 0.763 -3.090) 3.183 35.267 ( 0.000 -0.371 -3.457) 3.477 35.267 ( 0.000 0.371 -3.457) 3.477 35.754 ( 0.000 -6.968 -4.466) 8.277 35.754 ( 0.000 6.968 -4.466) 8.277 35.943 ( 0.000 -2.423 -0.522) 2.479 35.943 ( 0.000 2.423 -0.522) 2.479 36.335 ( 0.000 -4.522 -3.029) 5.443 36.335 ( 0.000 4.522 -3.029) 5.443 37.524 ( 0.000 -18.531 3.266) 18.817 37.524 ( 0.000 18.531 3.266) 18.817 38.503 ( 0.000 -3.797 -11.082) 11.715 38.503 ( 0.000 3.797 -11.082) 11.715 38.987 ( 0.000 -3.203 -11.702) 12.133 38.987 ( 0.000 3.203 -11.702) 12.133 39.318 ( 0.000 -4.612 -7.205) 8.555 39.318 ( 0.000 4.612 -7.205) 8.555 ======================= Grid point 87 (35/54) ======================= q-point: ( 0.20 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.364 ( -1.553 -7.129 3.794) 8.223 2.364 ( -1.553 7.129 3.794) 8.223 2.425 ( -1.974 -4.708 1.196) 5.243 2.425 ( -1.974 4.708 1.196) 5.243 2.541 ( 4.207 -0.697 6.075) 7.423 2.541 ( 4.207 0.697 6.075) 7.423 2.685 ( -0.208 -0.875 0.535) 1.047 2.685 ( -0.208 0.875 0.535) 1.047 2.754 ( 0.804 -0.475 0.267) 0.971 2.754 ( 0.804 0.475 0.267) 0.971 2.830 ( -1.301 -0.712 0.073) 1.485 2.830 ( -1.301 0.712 0.073) 1.485 4.086 ( 2.790 -10.473 22.748) 25.198 4.086 ( 2.790 10.474 22.748) 25.198 4.261 ( 0.003 -23.242 12.509) 26.395 4.261 ( 0.003 23.242 12.509) 26.395 4.506 ( 2.683 -5.154 3.163) 6.616 4.506 ( 2.683 5.154 3.163) 6.616 4.911 ( -2.051 -7.067 4.405) 8.577 4.911 ( -2.051 7.067 4.405) 8.577 5.097 ( 7.441 -15.344 0.649) 17.065 5.097 ( 7.441 15.344 0.649) 17.065 5.578 ( -0.393 -23.684 4.147) 24.047 5.578 ( -0.393 23.684 4.147) 24.047 6.250 ( 9.503 -9.530 18.958) 23.249 6.250 ( 9.503 9.530 18.958) 23.249 6.418 ( 10.820 -7.716 34.371) 36.851 6.418 ( 10.820 7.716 34.371) 36.851 6.850 ( 9.892 -5.199 7.300) 13.348 6.850 ( 9.892 5.199 7.300) 13.348 7.449 ( -5.227 -15.455 -6.415) 17.531 7.449 ( -5.227 15.455 -6.415) 17.531 7.855 ( 1.386 -6.214 28.669) 29.368 7.855 ( 1.386 6.214 28.669) 29.368 8.281 ( -6.894 -11.553 16.154) 21.023 8.281 ( -6.894 11.553 16.154) 21.023 8.557 ( -8.495 -17.266 2.103) 19.357 8.557 ( -8.495 17.266 2.103) 19.357 8.789 ( -0.564 -7.349 -1.684) 7.561 8.789 ( -0.564 7.349 -1.684) 7.561 8.993 ( 1.882 -5.565 -6.118) 8.482 8.993 ( 1.882 5.565 -6.118) 8.482 9.586 ( -25.058 -6.198 0.863) 25.828 9.586 ( -25.058 6.198 0.863) 25.828 9.834 ( -6.832 -7.577 9.241) 13.766 9.834 ( -6.832 7.577 9.241) 13.766 10.492 ( -8.856 -13.171 -1.617) 15.954 10.492 ( -8.856 13.171 -1.617) 15.954 11.015 ( -4.095 -10.398 -1.850) 11.328 11.015 ( -4.095 10.398 -1.850) 11.328 11.251 ( 1.529 -6.088 -2.411) 6.724 11.251 ( 1.529 6.088 -2.411) 6.724 11.443 ( 6.864 -1.450 -12.848) 14.638 11.443 ( 6.864 1.450 -12.848) 14.638 11.832 ( 4.904 -17.273 -13.167) 22.266 11.832 ( 4.904 17.273 -13.167) 22.266 12.178 ( 10.351 -9.507 -0.795) 14.077 12.178 ( 10.351 9.507 -0.795) 14.077 12.465 ( 6.719 -6.311 -5.584) 10.778 12.465 ( 6.719 6.311 -5.584) 10.778 12.802 ( 4.679 -10.599 1.701) 11.710 12.802 ( 4.679 10.599 1.701) 11.710 12.944 ( 7.846 -11.631 -9.691) 17.051 12.944 ( 7.846 11.631 -9.691) 17.051 13.128 ( -4.450 -1.275 -4.201) 6.251 13.128 ( -4.450 1.275 -4.201) 6.251 13.521 ( -5.107 -9.215 -7.466) 12.913 13.521 ( -5.107 9.215 -7.466) 12.913 13.716 ( -3.231 -7.408 -2.681) 8.515 13.716 ( -3.231 7.408 -2.681) 8.515 13.795 ( -0.885 -6.891 -17.733) 19.046 13.795 ( -0.885 6.891 -17.733) 19.046 14.227 ( -0.791 -9.615 2.939) 10.085 14.227 ( -0.791 9.615 2.939) 10.085 14.536 ( -6.603 -2.109 0.824) 6.980 14.536 ( -6.603 2.109 0.824) 6.980 15.696 ( 18.167 -7.067 13.904) 23.943 15.696 ( 18.167 7.067 13.904) 23.943 16.235 ( 1.620 -7.910 -8.616) 11.808 16.235 ( 1.620 7.910 -8.616) 11.808 16.392 ( 2.103 -6.047 -5.086) 8.177 16.392 ( 2.103 6.047 -5.086) 8.177 17.188 ( -14.455 -1.391 5.804) 15.639 17.188 ( -14.455 1.391 5.804) 15.639 18.370 ( 3.094 -7.362 -25.216) 26.451 18.370 ( 3.094 7.362 -25.216) 26.451 18.637 ( 4.002 -13.965 8.153) 16.658 18.637 ( 4.002 13.965 8.153) 16.658 19.493 ( 4.589 -5.970 -7.565) 10.673 19.493 ( 4.589 5.970 -7.565) 10.673 20.386 ( -10.489 -8.052 -4.437) 13.948 20.386 ( -10.489 8.052 -4.437) 13.948 21.820 ( -4.891 -26.899 1.295) 27.371 21.820 ( -4.891 26.899 1.295) 27.371 22.176 ( -5.662 -25.710 0.764) 26.337 22.176 ( -5.662 25.710 0.764) 26.337 22.439 ( 13.220 -1.985 5.507) 14.458 22.439 ( 13.220 1.985 5.507) 14.458 23.013 ( -3.791 -5.246 0.486) 6.491 23.013 ( -3.791 5.246 0.486) 6.491 24.220 ( 3.097 -3.886 12.856) 13.783 24.220 ( 3.097 3.886 12.856) 13.783 24.747 ( -10.205 -5.854 8.069) 14.265 24.747 ( -10.205 5.854 8.069) 14.265 24.890 ( 2.351 -7.799 4.681) 9.395 24.890 ( 2.351 7.799 4.681) 9.395 25.049 ( 0.057 -1.174 3.809) 3.987 25.049 ( 0.057 1.174 3.809) 3.987 25.161 ( 3.908 -2.474 4.895) 6.735 25.161 ( 3.908 2.474 4.895) 6.735 25.559 ( -2.103 -7.217 5.480) 9.303 25.559 ( -2.103 7.217 5.480) 9.303 25.845 ( 7.237 -6.014 -6.471) 11.420 25.845 ( 7.237 6.014 -6.471) 11.420 26.408 ( -7.309 -8.555 -12.708) 16.973 26.408 ( -7.309 8.555 -12.708) 16.973 27.439 ( 6.066 -4.112 12.347) 14.358 27.439 ( 6.066 4.112 12.347) 14.358 27.919 ( 12.015 -13.100 9.389) 20.103 27.919 ( 12.015 13.100 9.389) 20.103 28.160 ( -5.248 -5.920 7.966) 11.227 28.160 ( -5.248 5.920 7.966) 11.227 28.791 ( -6.194 -14.904 -3.734) 16.566 28.791 ( -6.194 14.904 -3.734) 16.566 35.162 ( 1.500 -1.967 3.802) 4.536 35.162 ( 1.500 1.967 3.802) 4.536 35.228 ( -0.211 -0.145 -2.790) 2.801 35.228 ( -0.211 0.145 -2.790) 2.801 35.277 ( 1.124 -1.394 -3.011) 3.503 35.277 ( 1.124 1.394 -3.011) 3.503 35.605 ( -9.370 -6.107 -1.650) 11.306 35.605 ( -9.370 6.107 -1.650) 11.306 36.090 ( 9.044 -2.920 -2.622) 9.859 36.090 ( 9.044 2.920 -2.622) 9.859 36.334 ( -0.279 -4.173 -2.857) 5.065 36.334 ( -0.279 4.173 -2.857) 5.065 37.597 ( 7.090 -17.511 1.916) 18.989 37.597 ( 7.090 17.511 1.916) 18.989 38.368 ( -11.738 -7.528 -9.136) 16.671 38.368 ( -11.738 7.528 -9.136) 16.671 39.048 ( 4.744 -2.804 -11.295) 12.568 39.048 ( 4.744 2.804 -11.295) 12.568 39.294 ( -2.318 -4.100 -7.492) 8.850 39.294 ( -2.318 4.100 -7.492) 8.850 ======================= Grid point 89 (36/54) ======================= q-point: ( 0.40 -0.50 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.352 ( 0.514 -9.037 2.132) 9.299 2.352 ( 0.514 9.037 2.132) 9.299 2.381 ( -2.117 -7.657 1.099) 8.020 2.381 ( -2.117 7.657 1.099) 8.020 2.626 ( 3.728 -0.353 4.969) 6.221 2.626 ( 3.728 0.353 4.969) 6.221 2.676 ( -1.155 -0.144 2.058) 2.364 2.676 ( -1.155 0.144 2.058) 2.364 2.772 ( 1.029 -0.297 0.009) 1.071 2.772 ( 1.029 0.297 0.009) 1.071 2.799 ( -1.579 -0.591 0.134) 1.691 2.799 ( -1.579 0.591 0.134) 1.691 4.156 ( 4.651 -7.996 13.958) 16.745 4.156 ( 4.650 7.996 13.958) 16.745 4.255 ( -3.114 -6.435 11.133) 13.231 4.255 ( -3.114 6.435 11.133) 13.231 4.573 ( 5.866 -10.615 6.911) 13.959 4.573 ( 5.866 10.615 6.911) 13.959 4.744 ( -10.418 -11.066 9.087) 17.708 4.744 ( -10.418 11.066 9.087) 17.708 5.303 ( 13.922 -21.460 0.115) 25.580 5.303 ( 13.922 21.460 0.115) 25.580 5.576 ( -8.963 -25.918 6.932) 28.287 5.576 ( -8.963 25.918 6.932) 28.287 6.408 ( 14.408 -5.248 7.298) 16.983 6.408 ( 14.408 5.248 7.298) 16.983 6.703 ( -4.492 -6.491 14.849) 16.817 6.703 ( -4.492 6.491 14.849) 16.817 7.095 ( 26.552 -3.152 31.452) 41.281 7.095 ( 26.552 3.152 31.452) 41.281 7.470 ( 8.160 -5.299 13.544) 16.676 7.470 ( 8.160 5.299 13.544) 16.676 7.839 ( -9.796 -2.134 18.735) 21.249 7.839 ( -9.796 2.134 18.735) 21.249 8.080 ( -31.549 -16.303 13.075) 37.843 8.080 ( -31.549 16.303 13.075) 37.843 8.320 ( 15.602 -16.743 11.181) 25.470 8.320 ( 15.602 16.743 11.181) 25.470 8.705 ( -15.186 -9.546 -2.463) 18.105 8.705 ( -15.186 9.546 -2.463) 18.105 8.952 ( 3.407 -1.223 -3.510) 5.042 8.952 ( 3.407 1.223 -3.510) 5.042 9.164 ( -16.081 -3.709 -8.035) 18.356 9.164 ( -16.081 3.709 -8.035) 18.356 9.900 ( 13.303 -15.052 3.319) 20.361 9.900 ( 13.303 15.052 3.319) 20.361 10.223 ( -16.306 -17.874 -2.227) 24.296 10.223 ( -16.306 17.874 -2.227) 24.296 11.056 ( 6.416 -7.826 0.931) 10.163 11.056 ( 6.416 7.826 0.931) 10.163 11.198 ( -6.129 -7.261 0.552) 9.519 11.198 ( -6.129 7.261 0.552) 9.519 11.614 ( 8.870 -6.097 -18.120) 21.076 11.614 ( 8.870 6.097 -18.120) 21.076 11.777 ( -7.051 -10.734 -16.589) 20.980 11.777 ( -7.051 10.734 -16.589) 20.980 12.474 ( 16.068 -9.321 -0.488) 18.582 12.474 ( 16.068 9.321 -0.488) 18.582 12.638 ( 5.280 -8.860 0.964) 10.359 12.638 ( 5.280 8.860 0.964) 10.359 12.822 ( -2.253 -9.409 -3.348) 10.238 12.822 ( -2.253 9.409 -3.348) 10.238 12.914 ( -8.572 -1.549 -0.485) 8.724 12.914 ( -8.572 1.549 -0.485) 8.724 13.224 ( 11.690 -0.451 -6.338) 13.305 13.224 ( 11.690 0.451 -6.338) 13.305 13.417 ( -6.480 -3.041 -7.445) 10.328 13.417 ( -6.480 3.041 -7.445) 10.328 13.668 ( 0.838 -9.835 -7.680) 12.506 13.668 ( 0.838 9.835 -7.680) 12.506 13.742 ( -4.351 -8.283 -15.631) 18.217 13.742 ( -4.351 8.283 -15.631) 18.217 14.257 ( 3.934 -5.377 3.666) 7.604 14.257 ( 3.934 5.377 3.666) 7.604 14.380 ( -7.789 -2.175 2.030) 8.338 14.380 ( -7.789 2.175 2.030) 8.338 16.068 ( 15.092 -14.547 5.799) 21.749 16.068 ( 15.092 14.547 5.799) 21.749 16.236 ( -2.760 -13.400 -3.934) 14.235 16.236 ( -2.760 13.400 -3.934) 14.235 16.504 ( 10.814 -9.948 -2.089) 14.841 16.504 ( 10.814 9.948 -2.089) 14.841 16.832 ( -19.201 -4.657 5.427) 20.490 16.832 ( -19.201 4.657 5.427) 20.490 18.478 ( 7.193 -8.500 -20.835) 23.624 18.478 ( 7.193 8.500 -20.835) 23.624 18.621 ( -5.467 -11.154 -8.805) 15.226 18.621 ( -5.467 11.154 -8.805) 15.226 19.709 ( 16.303 -1.499 -0.142) 16.372 19.709 ( 16.303 1.499 -0.142) 16.372 20.080 ( -18.540 -3.263 0.974) 18.850 20.080 ( -18.540 3.263 0.974) 18.850 21.835 ( 5.737 -28.956 -0.271) 29.521 21.835 ( 5.737 28.956 -0.271) 29.521 22.004 ( -9.727 -27.440 0.102) 29.114 22.004 ( -9.727 27.440 0.102) 29.114 22.701 ( 11.634 -1.637 2.933) 12.110 22.701 ( 11.634 1.637 2.933) 12.110 22.897 ( -7.735 -3.400 1.334) 8.554 22.897 ( -7.735 3.400 1.334) 8.554 24.325 ( 7.368 -3.029 13.094) 15.327 24.325 ( 7.368 3.030 13.094) 15.327 24.514 ( -11.147 -4.716 11.906) 16.978 24.514 ( -11.147 4.716 11.906) 16.978 24.970 ( 4.270 -2.161 5.332) 7.165 24.970 ( 4.270 2.161 5.332) 7.165 25.035 ( -1.913 -1.357 5.347) 5.838 25.035 ( -1.913 1.357 5.347) 5.838 25.274 ( 7.185 -5.555 6.273) 11.038 25.274 ( 7.185 5.555 6.273) 11.038 25.436 ( -8.228 -7.646 7.835) 13.695 25.436 ( -8.228 7.646 7.835) 13.695 26.043 ( 10.470 -7.942 -12.737) 18.301 26.043 ( 10.470 7.942 -12.737) 18.301 26.240 ( -9.047 -8.196 -13.272) 18.033 26.240 ( -9.047 8.196 -13.272) 18.033 27.631 ( 12.203 -2.161 10.059) 15.961 27.631 ( 12.203 2.161 10.059) 15.961 27.888 ( -11.849 -2.048 10.176) 15.752 27.888 ( -11.849 2.048 10.176) 15.752 28.303 ( 15.637 -20.087 2.095) 25.542 28.303 ( 15.637 20.087 2.095) 25.542 28.600 ( -12.644 -18.991 -1.156) 22.844 28.600 ( -12.644 18.991 -1.156) 22.844 35.195 ( 1.513 -2.453 0.532) 2.931 35.195 ( 1.513 2.453 0.532) 2.931 35.219 ( -0.814 -1.296 -1.852) 2.402 35.219 ( -0.814 1.296 -1.852) 2.402 35.325 ( 3.900 -3.731 -0.970) 5.484 35.325 ( 3.900 3.731 -0.970) 5.484 35.437 ( -7.083 -5.434 -0.139) 8.928 35.437 ( -7.083 5.434 -0.139) 8.928 36.240 ( 5.521 -3.134 -2.914) 6.986 36.240 ( 5.521 3.134 -2.914) 6.986 36.314 ( -2.008 -3.547 -2.716) 4.898 36.314 ( -2.008 3.547 -2.716) 4.898 37.802 ( 12.812 -14.835 -1.370) 19.650 37.802 ( 12.812 14.835 -1.370) 19.650 38.089 ( -14.898 -11.481 -5.323) 19.547 38.089 ( -14.898 11.481 -5.323) 19.547 39.145 ( 4.621 -2.590 -9.882) 11.212 39.145 ( 4.621 2.590 -9.882) 11.212 39.231 ( -3.795 -3.148 -8.405) 9.744 39.231 ( -3.795 3.148 -8.405) 9.744 ======================= Grid point 100 (37/54) ======================= q-point: ( 0.00 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 0.000 0.000 -4.903) 4.903 2.195 ( 0.000 0.000 -3.543) 3.543 2.500 ( 0.000 0.000 7.499) 7.499 2.618 ( 0.000 0.000 0.790) 0.790 2.635 ( 0.000 0.000 -0.144) 0.144 2.642 ( 0.000 0.000 4.310) 4.310 2.688 ( 0.000 0.000 0.035) 0.035 2.704 ( 0.000 0.000 -0.566) 0.566 2.714 ( 0.000 0.000 -3.117) 3.117 2.720 ( 0.000 0.000 6.431) 6.431 2.825 ( 0.000 0.000 -0.532) 0.532 2.841 ( 0.000 0.000 0.277) 0.277 3.831 ( 0.000 0.000 -5.601) 5.601 3.899 ( 0.000 0.000 23.999) 23.999 3.981 ( 0.000 0.000 -14.856) 14.856 4.440 ( 0.000 0.000 29.102) 29.102 4.719 ( 0.000 0.000 -2.132) 2.132 4.891 ( 0.000 0.000 7.073) 7.073 4.895 ( 0.000 0.000 1.162) 1.162 4.910 ( 0.000 0.000 -1.722) 1.722 5.351 ( 0.000 0.000 15.946) 15.946 5.574 ( 0.000 0.000 12.632) 12.632 5.638 ( 0.000 0.000 13.369) 13.369 5.792 ( 0.000 0.000 2.130) 2.130 6.100 ( 0.000 0.000 0.706) 0.706 6.433 ( 0.000 0.000 9.221) 9.221 6.606 ( 0.000 0.000 -13.264) 13.264 6.665 ( 0.000 0.000 -2.406) 2.406 6.710 ( 0.000 0.000 3.565) 3.565 7.046 ( 0.000 0.000 -0.481) 0.481 7.651 ( 0.000 0.000 8.891) 8.891 7.750 ( 0.000 0.000 27.503) 27.503 7.841 ( 0.000 0.000 6.981) 6.981 8.243 ( 0.000 0.000 9.143) 9.143 8.490 ( 0.000 0.000 27.107) 27.107 8.632 ( 0.000 0.000 21.771) 21.771 8.742 ( 0.000 0.000 5.815) 5.815 8.863 ( 0.000 0.000 6.528) 6.528 9.118 ( 0.000 0.000 32.276) 32.276 9.414 ( 0.000 0.000 14.694) 14.694 9.418 ( 0.000 0.000 27.485) 27.485 9.660 ( 0.000 0.000 1.205) 1.205 9.663 ( 0.000 0.000 -4.352) 4.352 9.814 ( 0.000 0.000 -24.883) 24.883 9.969 ( 0.000 0.000 -7.328) 7.328 10.079 ( 0.000 0.000 11.119) 11.119 10.265 ( 0.000 0.000 10.299) 10.299 10.349 ( 0.000 0.000 7.501) 7.501 10.768 ( 0.000 0.000 10.379) 10.379 10.891 ( 0.000 0.000 -16.920) 16.920 10.946 ( 0.000 0.000 3.049) 3.049 11.257 ( 0.000 0.000 -11.114) 11.114 11.525 ( 0.000 0.000 -3.863) 3.863 11.584 ( 0.000 0.000 -3.416) 3.416 11.701 ( 0.000 0.000 -9.727) 9.727 11.721 ( 0.000 0.000 -19.323) 19.323 11.899 ( 0.000 0.000 3.014) 3.014 12.071 ( 0.000 0.000 -1.210) 1.210 12.132 ( 0.000 0.000 -3.143) 3.143 12.134 ( 0.000 0.000 -0.524) 0.524 12.432 ( 0.000 0.000 -18.689) 18.689 12.481 ( 0.000 0.000 -12.781) 12.781 12.716 ( 0.000 0.000 -11.831) 11.831 12.718 ( 0.000 0.000 -12.029) 12.029 13.001 ( 0.000 0.000 -21.646) 21.646 13.024 ( 0.000 0.000 -15.912) 15.912 13.246 ( 0.000 0.000 0.187) 0.187 13.258 ( 0.000 0.000 -8.801) 8.801 13.259 ( 0.000 0.000 9.754) 9.754 13.920 ( 0.000 0.000 -0.509) 0.509 13.934 ( 0.000 0.000 1.387) 1.387 13.965 ( 0.000 0.000 -7.014) 7.014 14.216 ( 0.000 0.000 1.771) 1.771 14.466 ( 0.000 0.000 3.233) 3.233 14.501 ( 0.000 0.000 -1.854) 1.854 14.580 ( 0.000 0.000 1.052) 1.052 15.409 ( 0.000 0.000 6.539) 6.539 15.823 ( 0.000 0.000 15.066) 15.066 15.975 ( 0.000 0.000 -7.486) 7.486 16.102 ( 0.000 0.000 1.959) 1.959 16.292 ( 0.000 0.000 -11.826) 11.826 16.576 ( 0.000 0.000 3.621) 3.621 17.170 ( 0.000 0.000 -38.183) 38.183 17.727 ( 0.000 0.000 8.845) 8.845 17.859 ( 0.000 0.000 -33.345) 33.345 17.954 ( 0.000 0.000 22.938) 22.938 18.158 ( 0.000 0.000 -3.969) 3.969 18.989 ( 0.000 0.000 -10.709) 10.709 19.331 ( 0.000 0.000 22.015) 22.015 19.613 ( 0.000 0.000 1.581) 1.581 20.074 ( 0.000 0.000 -10.405) 10.405 20.556 ( 0.000 0.000 -18.038) 18.038 21.318 ( 0.000 0.000 6.476) 6.476 21.574 ( 0.000 0.000 0.063) 0.063 22.255 ( 0.000 0.000 11.602) 11.602 22.540 ( 0.000 0.000 11.117) 11.117 22.770 ( 0.000 0.000 -1.661) 1.661 23.170 ( 0.000 0.000 -5.768) 5.768 23.279 ( 0.000 0.000 2.799) 2.799 23.339 ( 0.000 0.000 3.185) 3.185 23.770 ( 0.000 0.000 3.254) 3.254 23.944 ( 0.000 0.000 -3.320) 3.320 24.558 ( 0.000 0.000 11.585) 11.585 24.806 ( 0.000 0.000 4.991) 4.991 24.856 ( 0.000 0.000 6.260) 6.260 25.029 ( 0.000 0.000 0.661) 0.661 25.071 ( 0.000 0.000 -3.110) 3.110 25.237 ( 0.000 0.000 -12.384) 12.384 25.257 ( 0.000 0.000 -1.358) 1.358 25.262 ( 0.000 0.000 1.770) 1.770 25.540 ( 0.000 0.000 8.389) 8.389 25.722 ( 0.000 0.000 4.714) 4.714 25.834 ( 0.000 0.000 -0.575) 0.575 25.847 ( 0.000 0.000 -6.264) 6.264 26.221 ( 0.000 0.000 2.653) 2.653 26.474 ( 0.000 0.000 -9.278) 9.278 27.499 ( 0.000 0.000 12.278) 12.278 27.645 ( 0.000 0.000 8.908) 8.908 27.982 ( 0.000 0.000 15.369) 15.369 28.157 ( 0.000 0.000 8.702) 8.702 28.324 ( 0.000 0.000 7.474) 7.474 28.444 ( 0.000 0.000 1.279) 1.279 28.606 ( 0.000 0.000 -0.939) 0.939 28.977 ( 0.000 0.000 -12.240) 12.240 35.058 ( 0.000 0.000 -0.536) 0.536 35.083 ( 0.000 0.000 -0.367) 0.367 35.139 ( 0.000 0.000 -1.334) 1.334 35.197 ( 0.000 0.000 -2.788) 2.788 35.223 ( 0.000 0.000 -0.906) 0.906 35.282 ( 0.000 0.000 -2.656) 2.656 35.378 ( 0.000 0.000 7.407) 7.407 35.767 ( 0.000 0.000 -5.099) 5.099 35.990 ( 0.000 0.000 7.887) 7.887 36.023 ( 0.000 0.000 8.228) 8.228 36.315 ( 0.000 0.000 -2.556) 2.556 36.365 ( 0.000 0.000 -6.009) 6.009 37.314 ( 0.000 0.000 9.631) 9.631 38.131 ( 0.000 0.000 1.398) 1.398 38.167 ( 0.000 0.000 -19.421) 19.421 38.604 ( 0.000 0.000 -1.435) 1.435 38.691 ( 0.000 0.000 -16.173) 16.173 38.866 ( 0.000 0.000 -8.172) 8.172 38.869 ( 0.000 0.000 3.506) 3.506 39.208 ( 0.000 0.000 -7.669) 7.669 ======================= Grid point 101 (38/54) ======================= q-point: ( 0.20 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.128 ( -2.352 0.000 -3.732) 4.411 2.137 ( -3.945 0.000 -0.926) 4.053 2.546 ( 3.243 0.000 4.485) 5.534 2.624 ( -0.639 0.000 1.607) 1.730 2.624 ( 0.735 0.000 0.788) 1.078 2.658 ( 1.167 0.000 1.886) 2.218 2.678 ( -0.035 0.000 1.545) 1.546 2.702 ( -0.808 0.000 0.960) 1.255 2.725 ( 1.260 0.000 -1.423) 1.900 2.738 ( 1.257 0.000 1.113) 1.679 2.816 ( -0.870 0.000 -0.711) 1.123 2.823 ( -1.600 0.000 0.160) 1.608 3.886 ( 5.149 0.000 -5.427) 7.481 3.951 ( 5.767 0.000 22.149) 22.888 4.045 ( 6.677 0.000 -13.857) 15.381 4.359 ( -6.506 0.000 15.919) 17.198 4.571 ( -9.405 0.000 0.800) 9.439 4.891 ( -0.137 0.000 6.363) 6.364 4.918 ( -3.301 0.000 3.223) 4.613 5.042 ( 13.209 0.000 4.901) 14.088 5.308 ( -14.221 0.000 7.126) 15.907 5.564 ( 1.215 0.000 11.944) 12.006 5.802 ( 33.986 0.000 10.208) 35.486 6.177 ( 17.712 0.000 0.086) 17.712 6.278 ( 15.962 0.000 11.039) 19.407 6.297 ( -11.893 0.000 11.345) 16.436 6.602 ( 0.187 0.000 0.277) 0.335 6.725 ( 2.492 0.000 -2.337) 3.417 6.874 ( 13.468 0.000 5.248) 14.455 6.933 ( -1.228 0.000 0.054) 1.229 7.375 ( -12.845 0.000 0.839) 12.872 7.659 ( 0.587 0.000 1.952) 2.038 8.143 ( 3.807 0.000 28.838) 29.088 8.214 ( -5.498 0.000 12.409) 13.573 8.553 ( 3.958 0.000 17.017) 17.471 8.681 ( -6.610 0.000 20.717) 21.746 8.700 ( 7.809 0.000 12.331) 14.595 8.830 ( -5.216 0.000 12.012) 13.095 9.088 ( -18.211 0.000 7.460) 19.680 9.119 ( -0.690 0.000 21.988) 21.999 9.298 ( -16.221 0.000 17.048) 23.532 9.489 ( -12.579 0.000 3.498) 13.056 9.698 ( 1.853 0.000 19.654) 19.741 9.765 ( -7.712 0.000 -8.028) 11.132 9.814 ( -9.267 0.000 1.137) 9.337 9.910 ( -3.798 0.000 -4.227) 5.683 10.321 ( -13.434 0.000 15.140) 20.241 10.331 ( -4.840 0.000 -1.409) 5.041 10.785 ( 0.459 0.000 4.267) 4.291 10.828 ( 10.531 0.000 -13.501) 17.123 10.876 ( -1.190 0.000 4.902) 5.045 11.368 ( 4.222 0.000 -24.159) 24.525 11.438 ( -8.438 0.000 -5.288) 9.958 11.641 ( 4.248 0.000 -7.567) 8.678 11.684 ( 5.137 0.000 -25.842) 26.348 11.771 ( -8.339 0.000 -0.847) 8.382 11.939 ( 12.186 0.000 9.727) 15.591 12.108 ( 2.132 0.000 -13.559) 13.726 12.239 ( -10.731 0.000 -11.402) 15.658 12.352 ( 21.029 0.000 1.024) 21.054 12.361 ( 4.345 0.000 -6.629) 7.926 12.496 ( 11.660 0.000 -7.988) 14.134 12.776 ( 5.929 0.000 -7.411) 9.491 12.925 ( -5.561 0.000 -14.289) 15.333 12.960 ( 3.220 0.000 -10.804) 11.274 12.998 ( 9.191 0.000 -12.611) 15.604 13.202 ( -0.653 0.000 0.093) 0.660 13.214 ( -4.836 0.000 6.866) 8.398 13.357 ( 4.500 0.000 -12.966) 13.724 13.747 ( -9.535 0.000 -0.214) 9.537 13.813 ( -13.010 0.000 -4.973) 13.928 13.973 ( -3.340 0.000 -4.385) 5.512 14.294 ( 5.400 0.000 -0.245) 5.405 14.429 ( 0.080 0.000 6.176) 6.177 14.489 ( -1.132 0.000 -1.884) 2.198 14.605 ( -0.038 0.000 2.296) 2.297 15.576 ( 13.323 0.000 2.091) 13.486 15.918 ( 8.607 0.000 10.635) 13.682 15.963 ( -1.089 0.000 -6.224) 6.319 16.198 ( 10.036 0.000 1.855) 10.206 16.284 ( -0.913 0.000 -11.360) 11.396 16.635 ( 6.104 0.000 6.299) 8.772 17.166 ( -2.728 0.000 -28.473) 28.604 17.628 ( -5.723 0.000 -0.281) 5.730 17.709 ( -20.682 0.000 23.112) 31.014 17.946 ( 8.435 0.000 -31.369) 32.483 18.113 ( -5.890 0.000 -9.798) 11.432 18.852 ( -12.651 0.000 -13.325) 18.374 19.545 ( 18.033 0.000 18.950) 26.159 19.674 ( 7.393 0.000 5.502) 9.215 20.184 ( 8.198 0.000 -6.797) 10.649 20.505 ( -5.756 0.000 -11.493) 12.854 21.120 ( -14.927 0.000 6.764) 16.389 21.474 ( -10.593 0.000 -2.285) 10.837 22.269 ( 1.941 0.000 7.778) 8.017 22.641 ( 8.621 0.000 8.821) 12.334 22.698 ( -6.814 0.000 -2.550) 7.276 23.120 ( -4.661 0.000 -4.225) 6.291 23.273 ( 0.540 0.000 3.915) 3.952 23.359 ( 0.701 0.000 2.880) 2.964 23.812 ( 3.965 0.000 2.585) 4.734 23.972 ( 1.862 0.000 -3.497) 3.961 24.597 ( 3.717 0.000 11.691) 12.268 24.807 ( 0.870 0.000 6.703) 6.759 24.828 ( -1.944 0.000 8.059) 8.290 25.075 ( 3.927 0.000 0.291) 3.938 25.128 ( 0.426 0.000 -1.958) 2.004 25.190 ( 0.654 0.000 1.625) 1.752 25.309 ( 4.652 0.000 -11.428) 12.338 25.335 ( 3.245 0.000 -0.325) 3.261 25.509 ( -1.630 0.000 7.168) 7.351 25.690 ( -1.281 0.000 6.854) 6.973 25.804 ( -4.073 0.000 -6.458) 7.635 25.925 ( 6.812 0.000 -0.950) 6.878 26.103 ( -9.472 0.000 1.750) 9.633 26.428 ( -5.130 0.000 -8.814) 10.199 27.565 ( 6.712 0.000 11.375) 13.207 27.732 ( 7.974 0.000 8.342) 11.540 27.851 ( -2.851 0.000 15.303) 15.566 28.242 ( -7.834 0.000 7.243) 10.670 28.364 ( 2.684 0.000 11.111) 11.431 28.372 ( -6.893 0.000 2.333) 7.277 28.519 ( 1.540 0.000 -7.284) 7.445 29.010 ( 0.884 0.000 -11.205) 11.240 35.049 ( -0.484 0.000 -0.081) 0.491 35.082 ( -0.478 0.000 -0.421) 0.637 35.145 ( 0.673 0.000 -1.875) 1.992 35.193 ( -0.337 0.000 -2.788) 2.808 35.224 ( 0.102 0.000 -0.949) 0.955 35.268 ( -1.223 0.000 -2.130) 2.456 35.407 ( 2.752 0.000 6.981) 7.504 35.688 ( -5.634 0.000 -0.153) 5.636 36.073 ( 4.526 0.000 6.881) 8.237 36.087 ( 7.139 0.000 2.993) 7.741 36.308 ( -0.870 0.000 -1.142) 1.435 36.355 ( -1.036 0.000 -5.304) 5.405 37.375 ( 5.954 0.000 6.859) 9.083 38.041 ( -10.689 0.000 -13.839) 17.486 38.163 ( 3.249 0.000 0.264) 3.260 38.589 ( -7.888 0.000 -10.460) 13.101 38.671 ( 5.072 0.000 -5.248) 7.298 38.858 ( -0.887 0.000 -8.314) 8.361 38.939 ( 4.868 0.000 -1.698) 5.156 39.183 ( -2.371 0.000 -7.183) 7.564 ======================= Grid point 102 (39/54) ======================= q-point: ( 0.40 0.00 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( -1.239 0.000 0.419) 1.308 2.085 ( -2.270 0.000 -1.923) 2.975 2.592 ( 1.283 0.000 2.386) 2.709 2.610 ( -0.755 0.000 1.604) 1.773 2.648 ( 1.532 0.000 0.753) 1.707 2.680 ( -1.416 0.000 0.899) 1.677 2.684 ( 1.147 0.000 1.277) 1.716 2.691 ( 0.617 0.000 2.101) 2.190 2.750 ( 1.372 0.000 -1.656) 2.151 2.765 ( 1.425 0.000 -0.704) 1.590 2.785 ( -1.977 0.000 -0.403) 2.017 2.793 ( -1.305 0.000 -1.036) 1.666 4.023 ( 8.044 0.000 -4.443) 9.189 4.138 ( 11.950 0.000 15.957) 19.935 4.185 ( -5.409 0.000 -3.652) 6.526 4.283 ( 11.682 0.000 -5.665) 12.983 4.377 ( -10.698 0.000 6.445) 12.489 4.623 ( -18.687 0.000 -8.386) 20.483 4.993 ( 7.401 0.000 17.009) 18.549 5.148 ( -6.462 0.000 12.123) 13.738 5.337 ( 13.878 0.000 10.891) 17.641 5.543 ( -5.123 0.000 15.866) 16.673 6.116 ( 0.075 0.000 6.560) 6.561 6.271 ( -6.879 0.000 4.994) 8.501 6.298 ( 5.887 0.000 -1.699) 6.128 6.476 ( -8.550 0.000 -4.358) 9.596 6.701 ( 23.233 0.000 6.023) 24.002 6.930 ( 15.484 0.000 0.787) 15.504 7.131 ( -5.178 0.000 -4.656) 6.963 7.173 ( 36.855 0.000 17.208) 40.674 7.480 ( 32.653 0.000 4.449) 32.954 7.733 ( -34.531 0.000 22.510) 41.220 7.913 ( -25.130 0.000 11.910) 27.809 7.959 ( 24.344 0.000 -5.650) 24.991 8.217 ( -33.396 0.000 13.086) 35.868 8.566 ( -29.463 0.000 -6.526) 30.177 8.666 ( 2.582 0.000 32.739) 32.840 8.719 ( -3.478 0.000 24.126) 24.375 9.015 ( 9.734 0.000 20.695) 22.870 9.086 ( -1.027 0.000 25.730) 25.751 9.130 ( 3.449 0.000 12.667) 13.128 9.261 ( -9.446 0.000 8.508) 12.713 9.609 ( 0.263 0.000 7.015) 7.020 9.775 ( -7.316 0.000 7.888) 10.758 9.834 ( 1.993 0.000 4.519) 4.939 9.846 ( 11.773 0.000 -1.629) 11.885 9.974 ( -12.792 0.000 11.685) 17.326 10.133 ( -13.784 0.000 -5.035) 14.675 10.812 ( 2.588 0.000 0.844) 2.723 10.867 ( -1.862 0.000 2.976) 3.510 11.139 ( 14.632 0.000 -14.299) 20.458 11.349 ( 1.135 0.000 -8.679) 8.753 11.350 ( -5.955 0.000 -20.435) 21.285 11.478 ( -10.559 0.000 -8.519) 13.567 11.856 ( 8.945 0.000 -4.369) 9.955 11.877 ( 12.565 0.000 -30.531) 33.015 12.043 ( -9.328 0.000 -5.907) 11.041 12.085 ( -2.582 0.000 -13.808) 14.047 12.189 ( 4.343 0.000 -7.019) 8.254 12.261 ( -4.500 0.000 2.553) 5.174 12.728 ( 12.845 0.000 2.104) 13.016 12.817 ( 6.904 0.000 -1.794) 7.134 12.856 ( -1.306 0.000 -4.756) 4.933 12.912 ( 3.511 0.000 -5.214) 6.286 12.991 ( 8.262 0.000 -0.748) 8.295 13.133 ( 5.780 0.000 2.580) 6.330 13.151 ( -2.867 0.000 -5.960) 6.614 13.250 ( 6.339 0.000 -7.987) 10.197 13.371 ( -4.727 0.000 -7.288) 8.687 13.481 ( -19.291 0.000 -3.515) 19.609 13.652 ( 3.914 0.000 -9.892) 10.638 13.825 ( -9.805 0.000 -9.201) 13.446 14.392 ( 4.065 0.000 -1.232) 4.248 14.455 ( -2.272 0.000 -1.703) 2.840 14.483 ( 4.120 0.000 6.361) 7.579 14.565 ( -3.525 0.000 4.238) 5.512 15.809 ( 8.400 0.000 -2.568) 8.784 15.922 ( -3.353 0.000 -4.513) 5.622 16.111 ( 8.896 0.000 -0.718) 8.925 16.241 ( -3.926 0.000 -9.005) 9.823 16.521 ( 20.791 0.000 1.107) 20.820 16.846 ( 15.378 0.000 14.779) 21.328 16.943 ( -18.602 0.000 -4.544) 19.149 17.245 ( -23.097 0.000 21.460) 31.528 17.667 ( 9.394 0.000 -21.003) 23.008 17.913 ( -12.812 0.000 -19.212) 23.093 18.190 ( 15.303 0.000 -26.151) 30.299 18.533 ( -17.662 0.000 -19.518) 26.323 19.923 ( 16.101 0.000 10.423) 19.180 19.946 ( 19.946 0.000 12.086) 23.322 20.220 ( -8.836 0.000 6.299) 10.852 20.302 ( -14.423 0.000 1.414) 14.492 20.954 ( 3.528 0.000 -1.858) 3.988 21.190 ( -15.582 0.000 -4.592) 16.245 22.355 ( 6.743 0.000 0.945) 6.809 22.525 ( -9.385 0.000 -2.608) 9.741 22.829 ( 9.149 0.000 4.013) 9.990 22.996 ( -7.339 0.000 -0.614) 7.365 23.307 ( 2.362 0.000 4.148) 4.774 23.350 ( -1.564 0.000 3.422) 3.762 23.910 ( 4.961 0.000 0.336) 4.973 23.981 ( -1.528 0.000 -2.451) 2.888 24.691 ( 5.078 0.000 11.727) 12.779 24.779 ( -3.274 0.000 10.692) 11.182 24.865 ( 5.205 0.000 8.684) 10.124 25.008 ( -8.056 0.000 6.328) 10.244 25.175 ( 5.809 0.000 0.694) 5.850 25.295 ( -5.234 0.000 -0.897) 5.311 25.306 ( 5.916 0.000 -1.103) 6.018 25.371 ( -0.310 0.000 -0.566) 0.645 25.568 ( 6.436 0.000 -4.495) 7.850 25.698 ( -6.057 0.000 -6.912) 9.191 25.715 ( 4.381 0.000 8.345) 9.425 25.868 ( -10.007 0.000 8.137) 12.898 26.110 ( 8.465 0.000 -8.270) 11.834 26.283 ( -8.400 0.000 -8.291) 11.802 27.762 ( 12.256 0.000 9.542) 15.532 27.924 ( 9.043 0.000 11.224) 14.414 27.934 ( 10.522 0.000 7.855) 13.130 28.031 ( -11.435 0.000 6.554) 13.180 28.162 ( -13.279 0.000 7.520) 15.260 28.182 ( -11.355 0.000 4.399) 12.177 28.751 ( 12.653 0.000 -6.511) 14.230 28.954 ( -6.781 0.000 -9.439) 11.622 35.048 ( 0.394 0.000 0.114) 0.410 35.064 ( -1.081 0.000 -0.122) 1.088 35.164 ( 1.054 0.000 -2.574) 2.782 35.183 ( -0.744 0.000 -2.819) 2.916 35.229 ( 0.448 0.000 -1.093) 1.181 35.244 ( -0.999 0.000 -1.449) 1.760 35.481 ( 4.353 0.000 5.755) 7.216 35.577 ( -5.187 0.000 3.574) 6.299 36.179 ( 5.292 0.000 4.422) 6.896 36.224 ( 5.939 0.000 -0.805) 5.993 36.268 ( -3.286 0.000 1.755) 3.725 36.316 ( -3.110 0.000 -3.442) 4.639 37.548 ( 10.902 0.000 0.456) 10.911 37.794 ( -12.907 0.000 -6.590) 14.492 38.262 ( 6.510 0.000 -2.651) 7.029 38.417 ( -8.552 0.000 -6.285) 10.613 38.766 ( 3.953 0.000 -7.830) 8.771 38.828 ( -2.203 0.000 -8.424) 8.707 39.035 ( 4.508 0.000 -4.396) 6.297 39.119 ( -3.804 0.000 -5.989) 7.095 ======================= Grid point 105 (40/54) ======================= q-point: ( 0.00 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 8.894 -2.866) 9.344 2.300 ( 0.000 8.517 -1.526) 8.652 2.528 ( 0.000 2.320 6.299) 6.713 2.569 ( 0.000 -4.240 0.107) 4.242 2.586 ( 0.000 -4.158 2.407) 4.805 2.619 ( 0.000 -1.490 2.043) 2.529 2.694 ( 0.000 -0.078 1.941) 1.942 2.699 ( 0.000 -0.344 -0.514) 0.619 2.739 ( 0.000 1.645 2.914) 3.346 2.749 ( 0.000 1.817 0.072) 1.818 2.829 ( 0.000 0.417 -0.670) 0.790 2.841 ( 0.000 0.084 0.194) 0.212 4.014 ( 0.000 11.095 5.413) 12.345 4.094 ( 0.000 22.520 -5.112) 23.093 4.186 ( 0.000 18.587 2.468) 18.750 4.517 ( 0.000 6.347 26.510) 27.259 4.744 ( 0.000 -4.255 -3.405) 5.449 4.830 ( 0.000 1.102 8.796) 8.865 4.849 ( 0.000 -4.865 7.598) 9.022 4.892 ( 0.000 -1.616 3.199) 3.584 5.193 ( 0.000 -14.871 10.281) 18.079 5.260 ( 0.000 -18.425 8.530) 20.303 5.532 ( 0.000 -3.495 11.610) 12.125 6.091 ( 0.000 5.002 -12.291) 13.270 6.194 ( 0.000 17.221 12.741) 21.422 6.363 ( 0.000 -4.635 7.785) 9.060 6.544 ( 0.000 -2.397 -2.667) 3.585 6.561 ( 0.000 -8.215 -12.310) 14.799 6.980 ( 0.000 -9.998 9.460) 13.765 7.041 ( 0.000 14.670 6.184) 15.920 7.385 ( 0.000 -10.645 24.794) 26.982 7.729 ( 0.000 -9.231 5.254) 10.621 7.924 ( 0.000 23.308 -0.206) 23.309 8.359 ( 0.000 8.261 4.422) 9.370 8.475 ( 0.000 -3.167 14.960) 15.291 8.573 ( 0.000 -12.281 9.705) 15.652 8.718 ( 0.000 -0.488 27.418) 27.422 8.846 ( 0.000 -1.062 14.375) 14.414 9.016 ( 0.000 -4.107 23.523) 23.879 9.129 ( 0.000 -26.690 -4.073) 26.999 9.271 ( 0.000 -11.291 23.768) 26.314 9.359 ( 0.000 -10.679 14.241) 17.800 9.788 ( 0.000 10.965 -0.156) 10.966 10.083 ( 0.000 3.923 9.898) 10.648 10.123 ( 0.000 7.430 8.535) 11.316 10.177 ( 0.000 3.400 6.965) 7.750 10.389 ( 0.000 21.801 -2.095) 21.902 10.439 ( 0.000 2.631 -0.015) 2.631 10.783 ( 0.000 -0.064 7.844) 7.844 10.830 ( 0.000 5.518 -10.351) 11.730 11.064 ( 0.000 7.883 -5.280) 9.488 11.101 ( 0.000 -7.591 -13.536) 15.519 11.423 ( 0.000 -4.686 -11.003) 11.959 11.469 ( 0.000 -14.382 -11.923) 18.681 11.655 ( 0.000 -17.319 -1.256) 17.364 11.663 ( 0.000 -13.908 -3.439) 14.327 11.888 ( 0.000 15.871 1.119) 15.910 11.979 ( 0.000 5.697 -8.830) 10.508 12.177 ( 0.000 -3.576 -14.922) 15.345 12.352 ( 0.000 6.673 -5.092) 8.394 12.393 ( 0.000 -1.618 -14.855) 14.943 12.525 ( 0.000 5.036 -3.552) 6.163 12.739 ( 0.000 1.257 -6.824) 6.939 12.791 ( 0.000 5.122 -9.649) 10.924 13.094 ( 0.000 7.414 -20.585) 21.879 13.127 ( 0.000 8.680 -12.357) 15.101 13.213 ( 0.000 -0.912 -0.637) 1.112 13.243 ( 0.000 0.969 -8.482) 8.537 13.347 ( 0.000 6.100 1.291) 6.235 13.750 ( 0.000 -11.903 -2.238) 12.112 13.860 ( 0.000 -6.623 -0.498) 6.641 13.922 ( 0.000 -6.791 -2.637) 7.286 14.224 ( 0.000 1.991 3.835) 4.321 14.439 ( 0.000 -1.655 2.200) 2.753 14.545 ( 0.000 1.152 -1.105) 1.596 14.608 ( 0.000 1.517 0.719) 1.678 15.550 ( 0.000 13.614 5.729) 14.770 15.808 ( 0.000 -0.442 13.636) 13.643 16.021 ( 0.000 3.699 -6.616) 7.580 16.051 ( 0.000 -4.390 1.404) 4.609 16.290 ( 0.000 -0.680 -9.987) 10.011 16.446 ( 0.000 -11.623 0.111) 11.623 17.145 ( 0.000 -1.817 -31.611) 31.663 17.422 ( 0.000 -17.071 -13.957) 22.050 17.934 ( 0.000 3.503 7.675) 8.437 18.038 ( 0.000 5.957 -10.855) 12.382 18.424 ( 0.000 18.544 5.200) 19.260 18.984 ( 0.000 -3.144 -6.319) 7.058 19.310 ( 0.000 0.181 16.291) 16.292 19.548 ( 0.000 -6.068 2.228) 6.464 20.149 ( 0.000 6.661 -8.817) 11.051 20.486 ( 0.000 -6.663 -14.564) 16.016 21.512 ( 0.000 18.847 5.081) 19.520 21.731 ( 0.000 15.014 -0.820) 15.037 22.289 ( 0.000 2.952 11.723) 12.089 22.486 ( 0.000 -5.875 9.849) 11.468 22.699 ( 0.000 -16.851 3.841) 17.283 22.842 ( 0.000 -30.701 0.361) 30.703 22.958 ( 0.000 -8.781 -4.090) 9.686 23.125 ( 0.000 -4.983 -4.874) 6.970 24.164 ( 0.000 21.018 6.942) 22.134 24.280 ( 0.000 18.125 2.574) 18.307 24.627 ( 0.000 9.411 8.779) 12.870 24.810 ( 0.000 1.220 3.975) 4.158 24.892 ( 0.000 2.967 4.975) 5.792 25.054 ( 0.000 2.016 0.401) 2.056 25.061 ( 0.000 -0.842 -2.346) 2.492 25.213 ( 0.000 -3.611 -1.280) 3.831 25.222 ( 0.000 -3.394 2.209) 4.050 25.266 ( 0.000 1.220 -10.179) 10.252 25.471 ( 0.000 -16.162 1.085) 16.198 25.522 ( 0.000 -3.090 1.882) 3.618 25.841 ( 0.000 1.920 3.400) 3.905 25.964 ( 0.000 3.214 0.970) 3.357 26.213 ( 0.000 0.812 -0.584) 1.000 26.418 ( 0.000 -5.038 -8.671) 10.028 27.548 ( 0.000 4.859 13.028) 13.904 27.724 ( 0.000 6.851 9.133) 11.417 27.894 ( 0.000 -7.451 14.270) 16.098 28.093 ( 0.000 -6.088 8.202) 10.214 28.343 ( 0.000 1.762 7.251) 7.462 28.434 ( 0.000 -1.487 3.599) 3.895 28.627 ( 0.000 3.089 -2.431) 3.931 28.899 ( 0.000 -6.945 -10.401) 12.507 35.113 ( 0.000 4.713 -0.468) 4.737 35.143 ( 0.000 0.422 -1.678) 1.730 35.168 ( 0.000 4.463 -2.674) 5.203 35.177 ( 0.000 -1.278 -2.645) 2.937 35.238 ( 0.000 0.892 -0.063) 0.894 35.312 ( 0.000 0.328 2.482) 2.504 35.401 ( 0.000 6.449 -0.106) 6.450 35.740 ( 0.000 -3.148 -6.264) 7.011 36.006 ( 0.000 1.488 7.759) 7.901 36.034 ( 0.000 0.867 7.855) 7.902 36.302 ( 0.000 -0.979 -1.652) 1.921 36.340 ( 0.000 -2.301 -4.592) 5.137 37.380 ( 0.000 6.731 8.063) 10.504 37.923 ( 0.000 -16.365 1.713) 16.454 38.180 ( 0.000 1.351 -17.518) 17.570 38.431 ( 0.000 -10.522 -10.674) 14.988 38.788 ( 0.000 3.923 -7.728) 8.667 38.818 ( 0.000 0.259 -2.485) 2.498 39.056 ( 0.000 9.779 -3.808) 10.494 39.222 ( 0.000 0.693 -6.718) 6.753 ======================= Grid point 106 (41/54) ======================= q-point: ( 0.20 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.231 ( -2.721 8.640 -1.010) 9.114 2.256 ( -2.897 9.677 -0.330) 10.107 2.540 ( 0.193 -2.492 2.329) 3.417 2.561 ( -1.001 -4.625 2.243) 5.236 2.606 ( 2.921 -0.459 1.945) 3.539 2.648 ( 1.991 -0.806 1.142) 2.432 2.686 ( -0.202 0.545 0.842) 1.023 2.712 ( 0.580 -0.658 1.207) 1.492 2.741 ( 0.307 1.557 1.266) 2.031 2.753 ( 0.497 1.299 0.117) 1.396 2.817 ( -1.037 0.347 -0.604) 1.249 2.828 ( -1.292 0.298 0.033) 1.326 4.034 ( 2.474 11.190 9.870) 15.125 4.101 ( 2.286 16.757 -5.893) 17.910 4.291 ( 7.614 20.213 -3.585) 21.895 4.444 ( -3.400 7.614 18.508) 20.300 4.553 ( -10.555 -1.161 3.261) 11.108 4.840 ( 1.459 -9.350 10.314) 13.998 4.923 ( 6.044 -6.975 5.591) 10.791 4.942 ( -3.489 -0.710 -0.232) 3.568 5.197 ( -2.358 -3.757 8.614) 9.689 5.428 ( 11.026 -9.851 8.863) 17.238 5.771 ( 27.638 -8.990 15.662) 33.015 6.015 ( -11.872 -14.893 -2.372) 19.193 6.292 ( 1.937 2.284 2.331) 3.795 6.319 ( -0.474 2.871 3.783) 4.773 6.588 ( 19.314 2.619 0.480) 19.497 6.803 ( 5.601 10.932 4.293) 13.012 7.006 ( 3.409 7.588 6.236) 10.397 7.165 ( 12.019 14.450 4.581) 19.345 7.279 ( 5.654 -19.439 11.129) 23.102 7.530 ( -14.525 -2.289 -4.201) 15.292 8.054 ( 3.782 8.124 13.857) 16.503 8.386 ( -1.962 5.470 13.055) 14.290 8.534 ( 2.511 -0.584 15.041) 15.260 8.567 ( -8.216 -9.341 19.757) 23.347 8.650 ( 0.947 -2.572 5.352) 6.013 8.848 ( -0.875 -2.819 14.978) 15.266 8.972 ( -7.877 -11.527 6.876) 15.563 9.098 ( -5.590 -6.608 16.404) 18.548 9.139 ( -0.337 -15.363 13.910) 20.727 9.297 ( -9.206 -5.450 10.480) 14.976 9.601 ( -20.577 0.235 14.777) 25.334 9.797 ( -20.741 4.191 8.460) 22.789 9.957 ( -8.667 5.152 17.302) 20.026 10.052 ( -5.228 9.518 1.636) 10.982 10.330 ( -5.179 -0.267 13.129) 14.116 10.675 ( 3.293 17.957 -5.112) 18.958 10.684 ( -2.743 2.030 -9.556) 10.147 10.806 ( 1.952 0.602 5.991) 6.329 11.001 ( 0.205 5.643 -11.212) 12.554 11.226 ( 2.263 -6.837 -13.540) 15.336 11.314 ( -1.924 -11.704 -21.767) 24.789 11.427 ( -5.920 -3.284 -7.871) 10.382 11.466 ( -1.574 -18.611 -3.210) 18.951 11.894 ( 5.394 -10.587 -16.682) 20.481 12.077 ( 10.028 10.791 0.880) 14.758 12.096 ( 3.217 6.127 -12.040) 13.887 12.247 ( 4.796 -1.022 -3.709) 6.149 12.338 ( 13.459 -0.706 -10.005) 16.785 12.531 ( 7.981 11.795 -2.696) 14.494 12.605 ( 10.003 10.137 -1.133) 14.287 12.814 ( 4.542 2.856 -6.215) 8.211 12.935 ( 11.904 -4.404 -9.190) 15.670 12.995 ( -5.616 5.163 -12.206) 14.394 13.112 ( -2.853 9.940 -11.071) 15.149 13.179 ( -0.289 1.074 -3.061) 3.257 13.258 ( -3.600 2.951 0.452) 4.677 13.370 ( 3.061 2.025 -11.491) 12.063 13.631 ( -7.979 -8.873 -2.837) 12.266 13.783 ( -10.526 -4.983 -2.035) 11.822 13.882 ( -3.196 -7.720 -5.325) 9.908 14.257 ( 3.018 -2.047 5.953) 6.981 14.435 ( -0.638 3.257 -0.778) 3.409 14.490 ( -2.743 -3.249 3.417) 5.455 14.597 ( -2.428 -1.496 0.659) 2.927 15.704 ( 11.548 11.898 1.275) 16.630 15.898 ( 6.697 1.452 5.602) 8.851 16.042 ( 3.764 4.717 -2.385) 6.489 16.129 ( 7.847 -5.969 1.481) 9.970 16.284 ( 0.010 -0.753 -8.663) 8.696 16.511 ( 6.419 -10.992 2.049) 12.893 17.119 ( -4.324 -3.069 -21.761) 22.397 17.366 ( -7.244 -16.464 -5.488) 18.806 17.813 ( -7.708 8.886 1.791) 11.899 18.028 ( 1.689 3.693 -17.372) 17.840 18.345 ( -8.287 16.804 -3.886) 19.135 18.842 ( -13.123 -2.779 -11.312) 17.547 19.500 ( 16.409 -2.426 15.932) 22.999 19.624 ( 8.546 -4.614 6.115) 11.477 20.220 ( 4.263 3.118 -4.325) 6.827 20.442 ( -5.303 -5.665 -8.188) 11.281 21.339 ( -11.669 20.701 4.896) 24.262 21.660 ( -8.322 17.632 -3.165) 19.752 22.248 ( -1.638 -4.903 7.345) 8.982 22.594 ( 6.659 -5.125 8.455) 11.921 22.655 ( -4.727 -7.862 -0.911) 9.219 22.841 ( 2.616 -29.224 2.755) 29.470 22.992 ( 1.780 -11.888 -1.874) 12.165 23.092 ( -3.171 -5.837 -3.827) 7.666 24.194 ( 2.823 21.214 6.386) 22.334 24.294 ( 1.101 18.020 2.525) 18.229 24.663 ( 3.176 8.205 9.164) 12.704 24.785 ( -2.245 0.163 5.843) 6.261 24.882 ( 0.468 3.510 6.373) 7.290 25.082 ( -2.019 -2.750 -0.470) 3.444 25.107 ( 3.778 0.597 -0.069) 3.825 25.169 ( 2.115 -1.682 2.047) 3.390 25.261 ( 1.938 -5.357 -0.244) 5.702 25.353 ( 6.291 1.265 -9.099) 11.134 25.451 ( -0.033 -9.038 3.134) 9.566 25.572 ( 1.902 -1.152 1.466) 2.663 25.869 ( 2.579 -1.429 -1.035) 3.125 25.922 ( -2.736 0.886 3.479) 4.514 26.104 ( -9.052 2.370 -1.639) 9.500 26.365 ( -5.611 -5.798 -8.034) 11.386 27.602 ( 5.877 3.574 12.009) 13.839 27.804 ( -0.757 -4.280 14.948) 15.567 27.830 ( 8.565 9.201 7.027) 14.401 28.254 ( -6.740 0.761 7.570) 10.164 28.301 ( 4.899 -5.306 9.466) 11.906 28.365 ( -0.196 -5.472 -0.457) 5.495 28.522 ( -8.351 5.531 -2.712) 10.378 28.913 ( -0.570 -8.831 -9.346) 12.871 35.108 ( -0.192 4.631 -0.300) 4.645 35.147 ( -0.099 1.377 -2.220) 2.614 35.166 ( 0.145 2.822 -2.376) 3.692 35.183 ( 0.465 0.272 -2.897) 2.946 35.233 ( -0.248 0.776 0.365) 0.893 35.316 ( -0.646 4.401 -0.781) 4.517 35.394 ( 0.660 0.627 3.976) 4.079 35.662 ( -5.752 -2.949 -1.662) 6.674 36.083 ( 5.352 1.223 5.797) 7.984 36.105 ( 6.455 1.288 3.650) 7.526 36.301 ( -0.345 -0.566 -0.762) 1.011 36.337 ( -0.466 -1.788 -3.906) 4.321 37.433 ( 5.325 6.132 5.632) 9.883 37.956 ( 3.273 -16.014 0.136) 16.346 38.061 ( -10.026 2.080 -12.875) 16.450 38.374 ( -5.916 -12.535 -10.748) 17.540 38.802 ( 3.070 5.854 -5.394) 8.532 38.896 ( 4.885 0.765 -6.619) 8.262 39.040 ( -1.401 8.377 -3.733) 9.278 39.194 ( -2.637 0.515 -6.492) 7.026 ======================= Grid point 107 (42/54) ======================= q-point: ( 0.40 0.25 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( -0.786 9.897 1.165) 9.996 2.204 ( -2.164 10.104 0.059) 10.333 2.540 ( 0.072 -4.895 1.636) 5.161 2.546 ( -0.497 -5.088 2.215) 5.572 2.661 ( 2.017 0.677 0.594) 2.209 2.681 ( 0.283 0.615 0.595) 0.901 2.690 ( 1.080 0.181 0.800) 1.356 2.711 ( -0.673 0.152 1.403) 1.563 2.757 ( 1.279 0.786 -0.397) 1.553 2.770 ( 1.101 0.341 -0.442) 1.234 2.790 ( -1.717 0.479 -0.139) 1.788 2.796 ( -1.503 0.213 -0.835) 1.732 4.137 ( 7.582 8.088 8.091) 13.725 4.190 ( 6.134 11.393 -2.558) 13.190 4.286 ( -5.699 8.367 -0.215) 10.126 4.351 ( -9.742 1.455 6.128) 11.601 4.570 ( 10.805 18.916 -1.585) 21.842 4.761 ( -9.420 4.287 -1.190) 10.418 4.917 ( 7.845 -4.939 13.740) 16.575 5.044 ( 1.584 -6.742 7.905) 10.510 5.251 ( 3.367 -4.280 10.150) 11.518 5.406 ( -10.841 -9.679 17.274) 22.575 5.880 ( 6.416 -22.233 3.783) 23.447 6.148 ( -14.387 -17.894 -0.726) 22.972 6.297 ( 11.852 3.336 0.435) 12.320 6.438 ( 7.169 6.133 3.146) 9.946 6.729 ( 7.240 0.904 6.092) 9.506 7.015 ( -2.266 -0.267 -1.302) 2.627 7.278 ( 10.072 13.040 0.649) 16.490 7.331 ( 32.851 12.250 14.612) 37.984 7.604 ( 24.388 7.956 4.310) 26.013 7.725 ( 17.602 -3.252 12.086) 21.598 7.858 ( -16.339 6.200 2.563) 17.662 8.046 ( -26.515 9.101 10.973) 30.104 8.363 ( -16.367 6.857 12.883) 21.929 8.532 ( -21.784 -7.886 3.063) 23.369 8.552 ( -6.073 -7.296 6.589) 11.556 8.595 ( -4.067 -5.885 18.837) 20.150 8.967 ( 4.115 -14.667 11.654) 19.180 9.041 ( 0.845 -4.639 11.916) 12.815 9.103 ( -4.513 -3.395 14.919) 15.952 9.133 ( -1.839 -2.302 28.910) 29.059 9.307 ( -2.512 -16.457 16.928) 23.743 9.444 ( -13.359 -11.784 11.312) 21.101 9.875 ( 0.911 7.855 16.938) 18.693 9.965 ( -6.004 8.735 7.738) 13.123 10.271 ( 6.531 5.966 6.717) 11.107 10.523 ( -14.160 7.846 -0.857) 16.211 10.738 ( 4.253 3.293 -1.993) 5.736 10.811 ( -2.102 3.237 2.384) 4.537 11.071 ( 4.706 0.511 -16.989) 17.636 11.167 ( -4.372 -3.349 -14.440) 15.455 11.365 ( 3.961 -5.199 -12.687) 14.272 11.416 ( -0.182 -6.664 -16.774) 18.050 11.521 ( 8.458 -18.968 -13.280) 24.651 11.754 ( -12.534 -17.998 -17.360) 27.972 12.197 ( 6.630 17.276 -16.010) 24.469 12.254 ( 3.551 12.131 -10.122) 16.193 12.407 ( 8.350 10.012 0.081) 13.037 12.518 ( -2.356 16.971 4.847) 17.806 12.687 ( 13.993 -4.190 -3.730) 15.076 12.819 ( -2.897 1.374 -2.633) 4.148 12.918 ( 5.378 3.473 -4.239) 7.678 12.961 ( 0.902 2.924 -2.341) 3.853 13.082 ( 0.456 4.212 -0.923) 4.336 13.094 ( 5.943 1.777 -0.298) 6.210 13.193 ( 3.854 1.526 -7.621) 8.675 13.234 ( 4.633 1.512 -8.294) 9.620 13.347 ( -6.044 -2.126 -6.074) 8.828 13.488 ( -15.990 0.820 -4.685) 16.682 13.587 ( 4.250 -5.860 -11.264) 13.389 13.752 ( -8.781 -7.335 -9.365) 14.785 14.332 ( 4.021 -3.881 5.368) 7.749 14.402 ( -2.632 -0.691 2.180) 3.487 14.473 ( 0.996 -4.557 2.604) 5.342 14.524 ( -3.817 -4.072 1.609) 5.809 15.886 ( 5.962 7.662 -2.506) 10.026 15.954 ( -0.793 4.695 -3.618) 5.980 16.163 ( 5.591 2.761 -5.807) 8.521 16.233 ( -1.288 -2.462 -9.129) 9.543 16.481 ( 21.001 -2.337 4.360) 21.575 16.718 ( 14.142 -10.292 9.356) 19.836 16.901 ( -16.772 -2.764 -3.988) 17.459 17.081 ( -18.945 -12.224 10.065) 24.691 17.821 ( 8.831 12.757 -16.461) 22.621 18.063 ( -10.439 12.000 -16.087) 22.622 18.215 ( 8.814 0.738 -20.935) 22.726 18.518 ( -17.380 -2.859 -17.982) 25.171 19.871 ( 18.113 -4.219 11.322) 21.773 19.891 ( 17.002 -3.201 10.219) 20.093 20.179 ( -9.883 -2.854 5.881) 11.849 20.242 ( -14.490 -4.620 3.780) 15.672 21.236 ( 3.728 24.766 -1.197) 25.074 21.430 ( -12.692 21.856 -4.053) 25.597 22.285 ( 5.639 -10.661 0.615) 12.077 22.453 ( -10.045 -11.407 -2.047) 15.336 22.791 ( 8.293 -2.774 3.448) 9.400 22.894 ( 0.001 -13.871 2.811) 14.153 22.999 ( -0.775 -12.908 -0.493) 12.941 23.021 ( -2.563 -14.231 -0.514) 14.469 24.264 ( 3.534 21.491 4.427) 22.225 24.307 ( -0.391 19.793 2.658) 19.974 24.723 ( 1.930 1.436 10.237) 10.515 24.746 ( -1.214 -2.555 9.179) 9.605 24.913 ( 2.235 4.950 7.651) 9.383 24.981 ( -4.880 -0.370 6.062) 7.790 25.202 ( 5.009 0.857 1.096) 5.199 25.261 ( 1.555 -4.640 1.964) 5.273 25.292 ( 3.133 -1.485 -0.639) 3.525 25.385 ( -4.103 3.910 -2.000) 6.010 25.509 ( 6.403 -8.174 1.169) 10.449 25.605 ( -0.210 -2.034 -3.172) 3.774 25.816 ( -1.850 2.551 3.226) 4.510 25.898 ( -7.697 5.238 0.965) 9.360 26.039 ( 7.723 -6.099 -6.935) 12.039 26.212 ( -8.701 -6.453 -7.325) 13.077 27.785 ( 11.713 2.056 9.874) 15.457 27.889 ( 8.854 -2.249 11.125) 14.394 28.037 ( -8.420 3.355 9.729) 13.296 28.060 ( 7.707 7.687 2.813) 11.243 28.117 ( -11.549 -1.763 8.155) 14.247 28.309 ( -11.650 9.851 1.834) 15.366 28.618 ( 12.817 -12.090 -4.177) 18.108 28.832 ( -7.673 -11.157 -7.368) 15.415 35.112 ( 0.637 4.617 -0.592) 4.698 35.132 ( -1.121 3.872 -1.523) 4.309 35.177 ( 0.680 0.559 -2.719) 2.858 35.188 ( -0.227 0.625 -3.123) 3.193 35.241 ( 1.231 2.259 0.265) 2.586 35.278 ( -2.296 4.917 -0.918) 5.504 35.449 ( 4.167 -3.181 4.546) 6.939 35.547 ( -5.405 -3.231 2.213) 6.674 36.193 ( 5.072 1.488 3.479) 6.328 36.231 ( 5.016 0.583 -0.047) 5.050 36.275 ( -2.250 0.557 1.215) 2.617 36.311 ( -2.303 -0.589 -2.223) 3.255 37.592 ( 10.180 4.805 -0.237) 11.260 37.825 ( -12.301 3.517 -6.848) 14.512 38.060 ( 6.757 -15.469 -3.136) 17.169 38.219 ( -8.499 -14.177 -7.455) 18.133 38.884 ( 4.278 7.313 -6.385) 10.609 38.951 ( -1.306 7.631 -7.639) 10.876 39.039 ( 3.082 0.479 -4.155) 5.196 39.123 ( -4.228 -0.030 -5.899) 7.258 ======================= Grid point 110 (43/54) ======================= q-point: ( 0.00 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.423 ( 0.000 -3.839 0.507) 3.873 2.423 ( 0.000 3.839 0.507) 3.873 2.489 ( 0.000 -2.864 0.017) 2.864 2.489 ( 0.000 2.864 0.017) 2.864 2.580 ( 0.000 -2.260 4.408) 4.954 2.580 ( 0.000 2.260 4.408) 4.954 2.693 ( 0.000 -0.121 0.914) 0.922 2.693 ( 0.000 0.121 0.914) 0.922 2.763 ( 0.000 -0.447 1.145) 1.229 2.763 ( 0.000 0.447 1.145) 1.229 2.840 ( 0.000 -0.392 -0.303) 0.495 2.840 ( 0.000 0.392 -0.303) 0.495 4.287 ( 0.000 -11.682 -0.572) 11.696 4.287 ( 0.000 11.682 -0.572) 11.696 4.608 ( 0.000 -16.453 11.558) 20.107 4.608 ( 0.000 16.453 11.558) 20.107 4.744 ( 0.000 -5.440 22.884) 23.521 4.744 ( 0.000 5.440 22.884) 23.521 4.771 ( 0.000 -18.322 -5.408) 19.103 4.771 ( 0.000 18.322 -5.408) 19.103 4.986 ( 0.000 -10.413 6.312) 12.177 4.986 ( 0.000 10.413 6.312) 12.177 5.817 ( 0.000 -28.627 -3.443) 28.833 5.817 ( 0.000 28.627 -3.443) 28.833 6.301 ( 0.000 -0.155 8.565) 8.566 6.301 ( 0.000 0.155 8.565) 8.566 6.498 ( 0.000 -3.681 -3.333) 4.966 6.498 ( 0.000 3.681 -3.334) 4.966 7.039 ( 0.000 -13.318 15.751) 20.626 7.039 ( 0.000 13.318 15.751) 20.626 7.505 ( 0.000 -12.448 4.215) 13.142 7.505 ( 0.000 12.448 4.215) 13.142 8.372 ( 0.000 -2.079 12.272) 12.447 8.372 ( 0.000 2.079 12.272) 12.447 8.484 ( 0.000 -27.495 -6.685) 28.296 8.484 ( 0.000 27.495 -6.685) 28.296 8.645 ( 0.000 -12.323 6.669) 14.012 8.645 ( 0.000 12.323 6.669) 14.012 8.900 ( 0.000 -9.574 18.332) 20.681 8.900 ( 0.000 9.574 18.332) 20.681 9.192 ( 0.000 -5.291 32.602) 33.028 9.192 ( 0.000 5.291 32.602) 33.028 10.030 ( 0.000 -11.300 6.892) 13.236 10.030 ( 0.000 11.300 6.892) 13.236 10.151 ( 0.000 -2.425 11.302) 11.560 10.151 ( 0.000 2.425 11.302) 11.560 10.570 ( 0.000 -8.739 1.965) 8.957 10.570 ( 0.000 8.739 1.965) 8.957 10.921 ( 0.000 -9.734 -13.208) 16.408 10.921 ( 0.000 9.734 -13.208) 16.408 11.187 ( 0.000 -7.912 -3.581) 8.685 11.187 ( 0.000 7.912 -3.581) 8.685 11.281 ( 0.000 -8.406 -9.989) 13.055 11.281 ( 0.000 8.406 -9.989) 13.055 11.382 ( 0.000 -2.167 -6.816) 7.152 11.382 ( 0.000 2.167 -6.816) 7.152 12.067 ( 0.000 -2.316 -1.568) 2.797 12.067 ( 0.000 2.316 -1.568) 2.797 12.218 ( 0.000 -10.698 -13.527) 17.246 12.218 ( 0.000 10.698 -13.527) 17.246 12.517 ( 0.000 -5.025 -10.265) 11.429 12.517 ( 0.000 5.025 -10.265) 11.429 12.811 ( 0.000 -3.686 -3.355) 4.984 12.811 ( 0.000 3.686 -3.355) 4.984 13.171 ( 0.000 -2.520 -0.236) 2.531 13.171 ( 0.000 2.520 -0.236) 2.531 13.302 ( 0.000 -2.130 -23.200) 23.298 13.302 ( 0.000 2.130 -23.200) 23.298 13.512 ( 0.000 -10.525 -0.861) 10.560 13.512 ( 0.000 10.525 -0.861) 10.560 13.777 ( 0.000 -2.898 0.591) 2.958 13.777 ( 0.000 2.898 0.591) 2.958 14.329 ( 0.000 -7.582 5.208) 9.199 14.329 ( 0.000 7.582 5.208) 9.199 14.594 ( 0.000 -2.846 -1.957) 3.454 14.594 ( 0.000 2.846 -1.957) 3.454 15.806 ( 0.000 -4.124 15.643) 16.178 15.806 ( 0.000 4.124 15.643) 16.178 16.015 ( 0.000 -4.671 -9.534) 10.616 16.015 ( 0.000 4.671 -9.534) 10.616 16.268 ( 0.000 -0.910 -4.863) 4.947 16.268 ( 0.000 0.910 -4.863) 4.947 17.173 ( 0.000 -6.427 -22.887) 23.772 17.173 ( 0.000 6.427 -22.887) 23.772 18.045 ( 0.000 -4.543 -2.489) 5.180 18.045 ( 0.000 4.543 -2.489) 5.180 18.785 ( 0.000 -15.515 4.064) 16.039 18.785 ( 0.000 15.515 4.064) 16.039 19.400 ( 0.000 -7.453 5.103) 9.032 19.400 ( 0.000 7.453 5.103) 9.032 20.315 ( 0.000 -9.247 -9.550) 13.294 20.315 ( 0.000 9.247 -9.550) 13.294 21.989 ( 0.000 -16.868 2.043) 16.991 21.989 ( 0.000 16.868 2.043) 16.991 22.224 ( 0.000 -9.247 3.013) 9.726 22.224 ( 0.000 9.247 3.013) 9.726 22.446 ( 0.000 -1.786 8.629) 8.812 22.446 ( 0.000 1.786 8.629) 8.812 23.006 ( 0.000 -6.138 -4.828) 7.809 23.006 ( 0.000 6.138 -4.828) 7.809 24.413 ( 0.000 -3.084 9.783) 10.258 24.413 ( 0.000 3.084 9.783) 10.258 24.875 ( 0.000 -2.308 2.928) 3.729 24.875 ( 0.000 2.308 2.928) 3.729 25.012 ( 0.000 -19.575 2.237) 19.702 25.012 ( 0.000 19.575 2.237) 19.702 25.071 ( 0.000 -2.251 -1.081) 2.497 25.071 ( 0.000 2.251 -1.081) 2.497 25.162 ( 0.000 -0.984 1.895) 2.135 25.162 ( 0.000 0.984 1.895) 2.135 25.411 ( 0.000 -6.103 -7.378) 9.575 25.411 ( 0.000 6.103 -7.378) 9.575 25.925 ( 0.000 -5.085 6.935) 8.599 25.925 ( 0.000 5.085 6.935) 8.599 26.296 ( 0.000 -6.283 -6.714) 9.195 26.296 ( 0.000 6.283 -6.714) 9.195 27.689 ( 0.000 -8.617 14.834) 17.155 27.689 ( 0.000 8.617 14.834) 17.155 27.928 ( 0.000 -9.362 7.172) 11.794 27.928 ( 0.000 9.362 7.172) 11.794 28.388 ( 0.000 -2.531 6.359) 6.844 28.388 ( 0.000 2.531 6.359) 6.844 28.741 ( 0.000 -7.619 -6.256) 9.859 28.741 ( 0.000 7.619 -6.256) 9.859 35.155 ( 0.000 -0.867 -2.331) 2.487 35.155 ( 0.000 0.867 -2.331) 2.487 35.195 ( 0.000 -1.714 -2.866) 3.340 35.195 ( 0.000 1.714 -2.866) 3.340 35.266 ( 0.000 -2.638 4.433) 5.158 35.266 ( 0.000 2.638 4.433) 5.158 35.613 ( 0.000 -9.842 -7.526) 12.390 35.613 ( 0.000 9.842 -7.526) 12.390 36.037 ( 0.000 -0.982 7.302) 7.368 36.037 ( 0.000 0.982 7.302) 7.368 36.297 ( 0.000 -1.067 -1.559) 1.889 36.297 ( 0.000 1.067 -1.559) 1.889 37.594 ( 0.000 -14.356 4.542) 15.057 37.594 ( 0.000 14.356 4.542) 15.057 38.252 ( 0.000 -6.356 -14.574) 15.899 38.252 ( 0.000 6.356 -14.574) 15.899 38.827 ( 0.000 -0.230 -4.856) 4.862 38.827 ( 0.000 0.230 -4.856) 4.862 39.199 ( 0.000 -3.827 -5.103) 6.378 39.199 ( 0.000 3.827 -5.103) 6.378 ======================= Grid point 112 (44/54) ======================= q-point: ( 0.20 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -1.201 -5.743 1.142) 5.977 2.408 ( -1.201 5.743 1.142) 5.977 2.451 ( -2.392 -4.983 1.316) 5.682 2.451 ( -2.392 4.983 1.316) 5.682 2.624 ( 3.014 -1.396 2.101) 3.930 2.624 ( 3.014 1.396 2.101) 3.930 2.698 ( 0.340 -0.672 0.853) 1.138 2.698 ( 0.340 0.672 0.853) 1.138 2.763 ( 0.051 -0.445 0.824) 0.938 2.763 ( 0.051 0.445 0.824) 0.938 2.828 ( -1.119 -0.391 -0.273) 1.216 2.828 ( -1.119 0.391 -0.273) 1.216 4.301 ( 1.172 -9.940 0.788) 10.039 4.301 ( 1.172 9.940 0.788) 10.039 4.518 ( -8.596 -1.850 10.103) 13.394 4.518 ( -8.596 1.850 10.103) 13.394 4.642 ( 1.848 -9.453 11.421) 14.940 4.642 ( 1.848 9.453 11.421) 14.940 4.855 ( 7.337 -11.920 -1.810) 14.114 4.855 ( 7.337 11.920 -1.810) 14.114 5.277 ( 6.369 -14.818 8.811) 18.378 5.277 ( 6.369 14.818 8.811) 18.378 5.670 ( 2.760 -11.646 6.756) 13.744 5.670 ( 2.760 11.646 6.756) 13.744 6.342 ( -6.214 -1.023 -2.737) 6.867 6.342 ( -6.214 1.023 -2.737) 6.867 6.757 ( 25.415 -15.464 5.806) 30.311 6.757 ( 25.415 15.464 5.806) 30.311 7.166 ( 14.280 -16.622 10.605) 24.344 7.166 ( 14.279 16.622 10.605) 24.344 7.344 ( -11.536 -13.411 2.556) 17.874 7.344 ( -11.536 13.411 2.556) 17.874 8.361 ( -1.599 -3.500 14.220) 14.731 8.361 ( -1.599 3.500 14.220) 14.731 8.514 ( -1.547 -13.417 4.237) 14.155 8.514 ( -1.547 13.417 4.237) 14.155 8.682 ( 2.335 -3.704 2.389) 4.988 8.682 ( 2.335 3.704 2.389) 4.988 8.792 ( -8.701 -4.677 8.028) 12.729 8.792 ( -8.701 4.677 8.028) 12.729 9.178 ( -1.936 -4.610 30.358) 30.767 9.178 ( -1.936 4.610 30.358) 30.767 9.743 ( -26.304 -8.909 16.646) 32.378 9.743 ( -26.304 8.910 16.646) 32.378 10.050 ( -4.693 -6.453 13.035) 15.283 10.050 ( -4.693 6.453 13.035) 15.283 10.511 ( -8.670 -15.862 4.691) 18.676 10.511 ( -8.670 15.862 4.691) 18.676 10.905 ( 1.626 -12.137 -12.953) 17.825 10.905 ( 1.626 12.137 -12.953) 17.825 11.112 ( 0.774 -10.159 -8.472) 13.251 11.112 ( 0.774 10.159 -8.472) 13.251 11.241 ( -1.382 -5.564 -7.829) 9.703 11.241 ( -1.382 5.564 -7.829) 9.703 11.520 ( 0.505 -18.328 -18.447) 26.009 11.520 ( 0.505 18.328 -18.447) 26.009 12.187 ( 8.539 -3.374 0.416) 9.191 12.187 ( 8.539 3.374 0.416) 9.191 12.292 ( 12.025 -4.437 -9.441) 15.919 12.292 ( 12.025 4.437 -9.441) 15.919 12.711 ( 13.246 -6.186 -10.436) 17.961 12.711 ( 13.246 6.186 -10.436) 17.961 12.852 ( 5.141 -4.077 -1.404) 6.710 12.852 ( 5.141 4.077 -1.404) 6.710 13.104 ( -5.955 -4.395 -1.281) 7.512 13.104 ( -5.955 4.395 -1.281) 7.512 13.324 ( 0.619 -1.148 -17.746) 17.794 13.324 ( 0.619 1.148 -17.746) 17.794 13.452 ( -4.541 -6.884 -3.452) 8.941 13.452 ( -4.541 6.884 -3.452) 8.941 13.720 ( -5.707 -3.511 -1.229) 6.812 13.720 ( -5.707 3.511 -1.229) 6.812 14.327 ( 0.286 -7.505 5.728) 9.446 14.327 ( 0.286 7.505 5.728) 9.446 14.540 ( -4.937 -3.446 -0.642) 6.055 14.540 ( -4.937 3.446 -0.642) 6.055 15.937 ( 10.265 -8.127 9.836) 16.376 15.937 ( 10.265 8.127 9.836) 16.376 16.053 ( 3.637 -7.323 -8.571) 11.845 16.053 ( 3.637 7.323 -8.571) 11.845 16.300 ( 4.299 -6.184 -2.724) 8.009 16.300 ( 4.299 6.184 -2.724) 8.009 17.128 ( -5.702 -5.662 -14.547) 16.618 17.128 ( -5.702 5.662 -14.547) 16.618 17.996 ( -1.867 -6.847 -8.344) 10.955 17.996 ( -1.867 6.847 -8.344) 10.955 18.673 ( -11.495 -13.851 -4.834) 18.637 18.673 ( -11.495 13.851 -4.834) 18.637 19.520 ( 12.056 -4.364 9.338) 15.862 19.520 ( 12.056 4.364 9.338) 15.862 20.313 ( -2.075 -6.118 -4.105) 7.654 20.313 ( -2.075 6.118 -4.105) 7.654 21.854 ( -7.231 -24.954 2.406) 26.092 21.854 ( -7.231 24.954 2.406) 26.092 22.177 ( -6.997 -26.209 -0.653) 27.135 22.177 ( -6.997 26.209 -0.653) 27.135 22.565 ( 9.750 -2.800 7.256) 12.472 22.565 ( 9.750 2.800 7.256) 12.472 22.979 ( -2.658 -4.998 -3.815) 6.827 22.979 ( -2.658 4.998 -3.815) 6.827 24.444 ( 3.151 -2.618 9.708) 10.537 24.444 ( 3.151 2.618 9.708) 10.537 24.853 ( -5.823 -3.747 3.601) 7.804 24.853 ( -5.823 3.747 3.601) 7.804 24.974 ( 2.123 -11.564 3.567) 12.286 24.974 ( 2.123 11.564 3.567) 12.286 25.097 ( 2.197 -1.807 1.190) 3.084 25.097 ( 2.197 1.807 1.190) 3.084 25.220 ( 4.617 -4.509 1.230) 6.569 25.220 ( 4.617 4.509 1.230) 6.569 25.502 ( 5.809 -6.305 -7.914) 11.667 25.502 ( 5.809 6.305 -7.914) 11.667 25.878 ( -3.217 -3.097 6.458) 7.852 25.878 ( -3.217 3.097 6.458) 7.852 26.222 ( -6.800 -7.587 -6.353) 12.007 26.222 ( -6.800 7.587 -6.353) 12.007 27.698 ( 2.978 -5.533 13.580) 14.963 27.698 ( 2.978 5.533 13.580) 14.963 28.070 ( 11.507 -13.447 5.034) 18.400 28.070 ( 11.507 13.447 5.034) 18.400 28.294 ( -8.665 -2.227 6.442) 11.025 28.294 ( -8.665 2.227 6.442) 11.025 28.702 ( -4.222 -10.808 -5.236) 12.730 28.702 ( -4.222 10.808 -5.236) 12.730 35.158 ( 0.272 -0.932 -2.314) 2.510 35.158 ( 0.272 0.932 -2.314) 2.510 35.191 ( -0.398 -1.735 -2.523) 3.088 35.191 ( -0.398 1.735 -2.523) 3.088 35.286 ( 1.990 -4.119 3.722) 5.898 35.286 ( 1.990 4.119 3.722) 5.898 35.547 ( -5.288 -8.732 -4.003) 10.965 35.547 ( -5.288 8.732 -4.003) 10.965 36.113 ( 6.020 -0.986 4.204) 7.408 36.113 ( 6.020 0.986 4.204) 7.408 36.301 ( 0.203 -1.022 -1.095) 1.511 36.301 ( 0.203 1.022 -1.095) 1.511 37.635 ( 4.141 -13.824 2.688) 14.679 37.635 ( 4.141 13.824 2.688) 14.679 38.159 ( -8.284 -7.928 -12.166) 16.718 38.159 ( -8.284 7.928 -12.166) 16.718 38.883 ( 4.769 -2.161 -5.607) 7.672 38.883 ( 4.769 2.161 -5.607) 7.672 39.170 ( -2.723 -3.642 -5.208) 6.914 39.170 ( -2.723 3.642 -5.208) 6.914 ======================= Grid point 114 (45/54) ======================= q-point: ( 0.40 -0.50 0.36) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.392 ( 0.009 -8.450 1.879) 8.656 2.392 ( 0.009 8.450 1.879) 8.656 2.410 ( -1.579 -7.929 1.703) 8.262 2.410 ( -1.579 7.929 1.703) 8.262 2.677 ( 2.009 -0.812 0.637) 2.259 2.677 ( 2.009 0.812 0.637) 2.259 2.700 ( -0.308 -0.856 0.635) 1.110 2.700 ( -0.308 0.856 0.635) 1.110 2.770 ( 0.862 -0.367 0.058) 0.939 2.770 ( 0.862 0.367 0.058) 0.939 2.798 ( -1.673 -0.149 -0.314) 1.708 2.798 ( -1.673 0.149 -0.314) 1.708 4.333 ( 2.252 -6.788 2.869) 7.705 4.333 ( 2.252 6.788 2.869) 7.705 4.397 ( -4.168 -1.935 3.970) 6.073 4.397 ( -4.168 1.935 3.970) 6.073 4.736 ( 7.424 -13.885 10.352) 18.844 4.736 ( 7.424 13.885 10.352) 18.844 4.909 ( -6.690 -11.733 6.851) 15.144 4.909 ( -6.690 11.733 6.851) 15.145 5.333 ( 12.838 -26.647 2.570) 29.690 5.333 ( 12.838 26.647 2.570) 29.690 5.674 ( -14.219 -25.091 3.641) 29.069 5.674 ( -14.219 25.091 3.641) 29.069 6.445 ( 19.300 -6.618 1.988) 20.500 6.445 ( 19.300 6.618 1.988) 20.500 6.855 ( -17.342 -11.155 4.775) 21.166 6.855 ( -17.342 11.155 4.775) 21.166 7.492 ( 29.112 -6.293 4.158) 30.073 7.492 ( 29.112 6.293 4.158) 30.073 7.663 ( 28.742 -10.227 8.357) 31.631 7.663 ( 28.742 10.227 8.357) 31.631 8.158 ( -21.345 -8.603 8.965) 24.698 8.158 ( -21.345 8.603 8.965) 24.698 8.298 ( -21.244 -3.513 8.339) 23.090 8.298 ( -21.244 3.513 8.339) 23.090 8.626 ( 1.641 -11.704 5.755) 13.145 8.626 ( 1.641 11.704 5.755) 13.145 8.728 ( -4.662 -13.896 -2.930) 14.947 8.728 ( -4.662 13.896 -2.930) 14.947 9.126 ( -0.740 -3.718 31.579) 31.806 9.126 ( -0.740 3.718 31.579) 31.806 9.255 ( -15.519 -8.202 25.151) 30.671 9.255 ( -15.519 8.202 25.151) 30.671 10.065 ( 6.752 -10.320 13.489) 18.277 10.065 ( 6.752 10.320 13.489) 18.277 10.275 ( -12.526 -15.108 8.720) 21.475 10.275 ( -12.526 15.108 8.720) 21.475 11.022 ( 8.439 -12.408 -7.462) 16.758 11.022 ( 8.439 12.408 -7.462) 16.758 11.142 ( -1.326 -9.715 -8.499) 12.975 11.142 ( -1.326 9.715 -8.499) 12.975 11.253 ( 3.177 -4.132 -14.534) 15.440 11.253 ( 3.177 4.132 -14.534) 15.440 11.387 ( -9.515 -13.921 -22.511) 28.126 11.387 ( -9.515 13.921 -22.511) 28.126 12.433 ( 12.408 -3.475 -4.590) 13.679 12.433 ( 12.408 3.475 -4.590) 13.679 12.516 ( 6.395 -8.037 -11.302) 15.271 12.516 ( 6.395 8.037 -11.302) 15.271 12.831 ( 1.836 -8.624 1.359) 8.921 12.831 ( 1.836 8.624 1.359) 8.921 12.937 ( -8.285 -5.546 3.112) 10.445 12.937 ( -8.285 5.546 3.112) 10.445 13.103 ( 13.007 -3.703 -5.437) 14.576 13.103 ( 13.007 3.703 -5.437) 14.576 13.276 ( -5.163 -5.455 -7.280) 10.460 13.276 ( -5.163 5.455 -7.280) 10.460 13.420 ( 2.865 -10.842 -12.126) 16.517 13.420 ( 2.865 10.842 -12.126) 16.517 13.563 ( -9.131 -8.166 -5.878) 13.587 13.563 ( -9.131 8.166 -5.878) 13.587 14.352 ( 2.306 -4.869 4.989) 7.342 14.352 ( 2.306 4.869 4.989) 7.342 14.428 ( -5.210 -3.005 2.326) 6.449 14.428 ( -5.210 3.005 2.326) 6.449 16.079 ( 3.899 -7.621 -4.775) 9.802 16.079 ( 3.899 7.621 -4.775) 9.802 16.118 ( 0.607 -5.374 -6.045) 8.111 16.118 ( 0.607 5.374 -6.045) 8.111 16.526 ( 17.789 -7.215 4.606) 19.741 16.526 ( 17.789 7.215 4.606) 19.741 16.899 ( -16.623 -4.087 0.155) 17.118 16.899 ( -16.623 4.087 0.155) 17.118 18.077 ( 10.395 -10.133 -17.095) 22.427 18.077 ( 10.395 10.133 -17.095) 22.427 18.368 ( -16.689 -11.687 -14.612) 25.073 18.368 ( -16.689 11.687 -14.612) 25.073 19.838 ( 17.668 -1.230 10.504) 20.591 19.838 ( 17.668 1.230 10.504) 20.591 20.164 ( -12.947 -2.014 5.563) 14.235 20.164 ( -12.947 2.014 5.563) 14.235 21.821 ( 4.310 -28.431 -0.901) 28.770 21.821 ( 4.310 28.431 -0.901) 28.770 21.985 ( -10.395 -27.849 -1.846) 29.783 21.985 ( -10.395 27.849 -1.846) 29.783 22.756 ( 8.432 -0.938 2.741) 8.916 22.756 ( 8.432 0.938 2.741) 8.916 22.897 ( -5.537 -2.578 -1.131) 6.212 22.897 ( -5.537 2.578 -1.131) 6.212 24.541 ( 6.459 -1.887 8.950) 11.198 24.541 ( 6.459 1.887 8.950) 11.198 24.694 ( -8.329 -3.337 6.793) 11.254 24.694 ( -8.329 3.337 6.793) 11.254 25.063 ( 4.655 -3.234 4.188) 7.048 25.063 ( 4.655 3.234 4.188) 7.048 25.121 ( -0.637 -0.941 3.577) 3.753 25.121 ( -0.637 0.941 3.577) 3.753 25.349 ( 7.994 -6.149 0.802) 10.117 25.349 ( 7.994 6.149 0.802) 10.117 25.508 ( -5.940 -6.963 -2.070) 9.384 25.508 ( -5.940 6.963 -2.070) 9.384 25.896 ( 5.877 -5.932 -1.106) 8.423 25.896 ( 5.877 5.932 -1.106) 8.423 26.056 ( -8.859 -8.145 -5.397) 13.190 26.056 ( -8.859 8.145 -5.397) 13.190 27.836 ( 10.184 -2.767 10.636) 14.983 27.836 ( 10.184 2.767 10.636) 14.983 28.073 ( -12.334 -1.869 8.099) 14.873 28.073 ( -12.334 1.869 8.099) 14.873 28.326 ( 12.877 -15.244 0.541) 19.962 28.326 ( 12.877 15.244 0.541) 19.962 28.560 ( -9.752 -14.199 -2.888) 17.465 28.560 ( -9.752 14.199 -2.888) 17.465 35.166 ( 0.572 -1.121 -2.191) 2.527 35.166 ( 0.572 1.121 -2.191) 2.527 35.180 ( -0.680 -1.406 -2.233) 2.725 35.180 ( -0.680 1.406 -2.233) 2.725 35.345 ( 3.819 -5.947 2.171) 7.393 35.345 ( 3.819 5.947 2.171) 7.393 35.437 ( -5.186 -7.408 -0.183) 9.045 35.437 ( -5.186 7.408 -0.183) 9.045 36.228 ( 4.705 -1.340 1.422) 5.095 36.228 ( 4.705 1.340 1.422) 5.095 36.291 ( -1.535 -1.131 -0.014) 1.907 36.291 ( -1.535 1.131 -0.014) 1.907 37.763 ( 8.412 -12.276 -2.006) 15.016 37.763 ( 8.412 12.276 -2.006) 15.016 37.960 ( -10.559 -10.176 -7.456) 16.451 37.960 ( -10.559 10.176 -7.456) 16.451 38.990 ( 5.509 -2.842 -5.897) 8.556 38.990 ( 5.509 2.842 -5.897) 8.556 39.094 ( -4.625 -3.244 -5.538) 7.911 39.094 ( -4.625 3.244 -5.538) 7.911 ======================= Grid point 125 (46/54) ======================= q-point: ( 0.00 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.090 ( 0.000 0.000 -0.618) 0.618 2.122 ( 0.000 0.000 -3.395) 3.395 2.601 ( 0.000 0.000 2.907) 2.907 2.629 ( 0.000 0.000 -0.539) 0.539 2.630 ( 0.000 0.000 0.754) 0.754 2.658 ( 0.000 0.000 -2.298) 2.298 2.674 ( 0.000 0.000 0.185) 0.185 2.683 ( 0.000 0.000 -0.531) 0.531 2.757 ( 0.000 0.000 4.674) 4.674 2.789 ( 0.000 0.000 1.927) 1.927 2.814 ( 0.000 0.000 -0.832) 0.832 2.826 ( 0.000 0.000 -2.038) 2.038 3.739 ( 0.000 0.000 -2.618) 2.618 3.769 ( 0.000 0.000 -6.312) 6.312 4.289 ( 0.000 0.000 15.704) 15.704 4.540 ( 0.000 0.000 -11.395) 11.395 4.810 ( 0.000 0.000 8.077) 8.077 4.884 ( 0.000 0.000 -1.571) 1.571 5.112 ( 0.000 0.000 15.664) 15.664 5.165 ( 0.000 0.000 21.121) 21.121 5.393 ( 0.000 0.000 -9.838) 9.838 5.569 ( 0.000 0.000 -18.672) 18.672 5.896 ( 0.000 0.000 19.392) 19.392 5.915 ( 0.000 0.000 13.133) 13.133 6.093 ( 0.000 0.000 -4.518) 4.518 6.301 ( 0.000 0.000 -19.926) 19.926 6.526 ( 0.000 0.000 4.537) 4.537 6.614 ( 0.000 0.000 -1.622) 1.622 6.811 ( 0.000 0.000 6.890) 6.890 6.957 ( 0.000 0.000 -7.278) 7.278 7.695 ( 0.000 0.000 3.196) 3.196 7.793 ( 0.000 0.000 -6.371) 6.371 8.377 ( 0.000 0.000 5.696) 5.696 8.462 ( 0.000 0.000 36.801) 36.801 8.495 ( 0.000 0.000 -6.571) 6.571 9.025 ( 0.000 0.000 -0.983) 0.983 9.114 ( 0.000 0.000 17.715) 17.715 9.256 ( 0.000 0.000 -9.413) 9.413 9.256 ( 0.000 0.000 25.445) 25.445 9.435 ( 0.000 0.000 -9.133) 9.133 9.457 ( 0.000 0.000 -10.477) 10.477 9.594 ( 0.000 0.000 -9.329) 9.329 9.857 ( 0.000 0.000 23.746) 23.746 10.108 ( 0.000 0.000 26.563) 26.563 10.109 ( 0.000 0.000 26.944) 26.944 10.326 ( 0.000 0.000 -8.216) 8.216 10.409 ( 0.000 0.000 -0.674) 0.674 10.443 ( 0.000 0.000 -1.049) 1.049 10.549 ( 0.000 0.000 9.021) 9.021 10.843 ( 0.000 0.000 -3.009) 3.009 10.874 ( 0.000 0.000 -9.165) 9.165 11.030 ( 0.000 0.000 -15.813) 15.813 11.259 ( 0.000 0.000 -16.444) 16.444 11.415 ( 0.000 0.000 -19.497) 19.497 11.632 ( 0.000 0.000 9.135) 9.135 11.657 ( 0.000 0.000 14.367) 14.367 11.921 ( 0.000 0.000 -1.182) 1.182 11.973 ( 0.000 0.000 -11.673) 11.673 12.129 ( 0.000 0.000 7.487) 7.487 12.176 ( 0.000 0.000 0.762) 0.762 12.197 ( 0.000 0.000 2.879) 2.879 12.409 ( 0.000 0.000 1.058) 1.058 12.470 ( 0.000 0.000 -19.681) 19.681 12.566 ( 0.000 0.000 -3.592) 3.592 12.596 ( 0.000 0.000 -18.422) 18.422 12.614 ( 0.000 0.000 -13.018) 13.018 13.229 ( 0.000 0.000 1.128) 1.128 13.248 ( 0.000 0.000 -0.432) 0.432 13.503 ( 0.000 0.000 14.154) 14.154 13.770 ( 0.000 0.000 -12.630) 12.630 13.929 ( 0.000 0.000 1.027) 1.027 13.944 ( 0.000 0.000 -0.256) 0.256 14.291 ( 0.000 0.000 5.749) 5.749 14.417 ( 0.000 0.000 -6.338) 6.338 14.532 ( 0.000 0.000 3.158) 3.158 14.578 ( 0.000 0.000 -1.343) 1.343 15.566 ( 0.000 0.000 10.010) 10.010 15.783 ( 0.000 0.000 -11.470) 11.470 16.022 ( 0.000 0.000 6.039) 6.039 16.121 ( 0.000 0.000 -5.959) 5.959 16.210 ( 0.000 0.000 10.175) 10.175 16.542 ( 0.000 0.000 -25.044) 25.044 16.777 ( 0.000 0.000 17.723) 17.723 17.239 ( 0.000 0.000 -29.016) 29.016 17.895 ( 0.000 0.000 8.397) 8.397 18.048 ( 0.000 0.000 -7.175) 7.175 18.376 ( 0.000 0.000 20.263) 20.263 18.728 ( 0.000 0.000 -15.877) 15.877 19.708 ( 0.000 0.000 7.496) 7.496 19.776 ( 0.000 0.000 22.509) 22.509 19.879 ( 0.000 0.000 -9.678) 9.678 20.188 ( 0.000 0.000 -20.079) 20.079 21.448 ( 0.000 0.000 6.357) 6.357 21.545 ( 0.000 0.000 -3.321) 3.321 22.484 ( 0.000 0.000 11.415) 11.415 22.675 ( 0.000 0.000 -7.804) 7.804 22.775 ( 0.000 0.000 12.671) 12.671 23.007 ( 0.000 0.000 -10.709) 10.709 23.335 ( 0.000 0.000 2.630) 2.630 23.367 ( 0.000 0.000 -0.324) 0.324 23.819 ( 0.000 0.000 2.439) 2.439 23.876 ( 0.000 0.000 -3.418) 3.418 24.767 ( 0.000 0.000 10.159) 10.159 24.899 ( 0.000 0.000 4.625) 4.625 24.955 ( 0.000 0.000 -8.609) 8.609 24.958 ( 0.000 0.000 4.847) 4.847 24.990 ( 0.000 0.000 -4.702) 4.702 25.054 ( 0.000 0.000 -5.687) 5.687 25.253 ( 0.000 0.000 0.748) 0.748 25.270 ( 0.000 0.000 -0.637) 0.637 25.675 ( 0.000 0.000 5.450) 5.450 25.758 ( 0.000 0.000 -3.678) 3.678 25.794 ( 0.000 0.000 2.636) 2.636 25.826 ( 0.000 0.000 -0.761) 0.761 26.275 ( 0.000 0.000 2.934) 2.934 26.343 ( 0.000 0.000 -4.579) 4.579 27.691 ( 0.000 0.000 6.915) 6.915 27.748 ( 0.000 0.000 1.303) 1.303 28.235 ( 0.000 0.000 9.169) 9.169 28.283 ( 0.000 0.000 3.443) 3.443 28.426 ( 0.000 0.000 3.126) 3.126 28.455 ( 0.000 0.000 -0.236) 0.236 28.608 ( 0.000 0.000 2.472) 2.472 28.746 ( 0.000 0.000 -10.889) 10.889 35.054 ( 0.000 0.000 0.270) 0.270 35.068 ( 0.000 0.000 -0.999) 0.999 35.126 ( 0.000 0.000 0.297) 0.297 35.149 ( 0.000 0.000 -1.971) 1.971 35.216 ( 0.000 0.000 0.300) 0.300 35.237 ( 0.000 0.000 -1.833) 1.833 35.523 ( 0.000 0.000 7.290) 7.290 35.656 ( 0.000 0.000 -6.335) 6.335 36.139 ( 0.000 0.000 7.078) 7.078 36.167 ( 0.000 0.000 6.222) 6.222 36.258 ( 0.000 0.000 -5.431) 5.431 36.259 ( 0.000 0.000 -3.467) 3.467 37.523 ( 0.000 0.000 12.571) 12.571 37.811 ( 0.000 0.000 -16.975) 16.975 38.209 ( 0.000 0.000 7.044) 7.044 38.405 ( 0.000 0.000 -12.870) 12.870 38.626 ( 0.000 0.000 3.418) 3.418 38.724 ( 0.000 0.000 -6.394) 6.394 38.953 ( 0.000 0.000 5.201) 5.201 39.069 ( 0.000 0.000 -6.650) 6.650 ======================= Grid point 126 (47/54) ======================= q-point: ( 0.20 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -0.792 0.000 -0.430) 0.901 2.104 ( -1.588 0.000 -2.169) 2.688 2.611 ( 0.808 0.000 2.067) 2.219 2.630 ( 0.054 0.000 -0.218) 0.225 2.636 ( 0.662 0.000 0.718) 0.977 2.663 ( 0.396 0.000 -2.130) 2.167 2.674 ( 0.237 0.000 0.601) 0.646 2.694 ( 0.792 0.000 -1.356) 1.570 2.752 ( -0.379 0.000 4.015) 4.033 2.781 ( -0.644 0.000 1.657) 1.778 2.803 ( -0.976 0.000 -0.755) 1.234 2.810 ( -1.442 0.000 -1.710) 2.237 3.802 ( 6.072 0.000 -2.064) 6.413 3.839 ( 7.001 0.000 -6.411) 9.493 4.284 ( 0.672 0.000 12.496) 12.514 4.477 ( -4.230 0.000 -8.126) 9.161 4.607 ( -15.323 0.000 10.442) 18.543 4.781 ( -12.440 0.000 -7.559) 14.556 5.201 ( 2.934 0.000 13.232) 13.553 5.276 ( 14.260 0.000 17.021) 22.205 5.366 ( -6.238 0.000 -2.900) 6.879 5.628 ( 17.486 0.000 -16.788) 24.240 5.914 ( 1.172 0.000 20.359) 20.393 6.221 ( 12.720 0.000 6.084) 14.100 6.339 ( 14.531 0.000 -3.554) 14.959 6.352 ( 4.446 0.000 -22.004) 22.448 6.627 ( 14.255 0.000 16.880) 22.094 6.773 ( 11.306 0.000 2.040) 11.489 6.908 ( 15.822 0.000 0.774) 15.841 6.929 ( 3.975 0.000 -1.080) 4.119 7.382 ( -24.193 0.000 2.739) 24.348 7.536 ( -15.099 0.000 -11.424) 18.934 8.388 ( -2.552 0.000 7.366) 7.795 8.522 ( -1.157 0.000 -6.321) 6.426 8.686 ( 1.509 0.000 26.611) 26.653 8.922 ( -19.813 0.000 8.509) 21.563 9.080 ( -1.817 0.000 16.819) 16.916 9.109 ( -1.834 0.000 -4.524) 4.882 9.272 ( 0.321 0.000 20.568) 20.571 9.289 ( -3.389 0.000 -18.096) 18.410 9.353 ( -5.741 0.000 -5.754) 8.128 9.505 ( -7.477 0.000 -3.695) 8.340 9.931 ( 1.596 0.000 23.172) 23.227 10.022 ( -14.278 0.000 10.229) 17.564 10.059 ( -4.332 0.000 24.352) 24.734 10.220 ( 3.504 0.000 24.297) 24.548 10.331 ( -9.955 0.000 -1.228) 10.030 10.464 ( 3.072 0.000 -8.315) 8.865 10.735 ( 9.771 0.000 2.554) 10.099 10.752 ( -4.563 0.000 -3.198) 5.572 10.858 ( -2.943 0.000 -10.265) 10.678 10.985 ( -5.435 0.000 -1.332) 5.596 11.141 ( 1.203 0.000 -24.268) 24.298 11.464 ( -10.247 0.000 8.734) 13.464 11.522 ( 1.504 0.000 -32.248) 32.283 11.669 ( -14.780 0.000 -5.873) 15.904 11.696 ( 3.754 0.000 10.771) 11.407 12.006 ( -3.326 0.000 -13.627) 14.027 12.191 ( 6.378 0.000 10.049) 11.902 12.327 ( 2.591 0.000 -3.195) 4.113 12.404 ( 18.756 0.000 4.702) 19.336 12.478 ( 14.009 0.000 4.249) 14.640 12.590 ( 7.031 0.000 -13.018) 14.795 12.645 ( 5.080 0.000 -12.629) 13.612 12.739 ( 10.467 0.000 -6.115) 12.123 12.772 ( 17.285 0.000 -7.959) 19.029 13.212 ( -1.694 0.000 0.628) 1.807 13.231 ( -1.051 0.000 -1.961) 2.224 13.419 ( -8.001 0.000 12.515) 14.854 13.655 ( -10.709 0.000 -10.907) 15.285 13.787 ( -10.532 0.000 3.867) 11.220 13.878 ( -8.106 0.000 -5.131) 9.593 14.329 ( 3.090 0.000 3.784) 4.885 14.420 ( 0.252 0.000 -4.858) 4.864 14.545 ( 1.859 0.000 5.246) 5.566 14.614 ( 1.563 0.000 -1.569) 2.215 15.651 ( 6.920 0.000 6.000) 9.159 15.803 ( 1.589 0.000 -9.073) 9.211 16.032 ( 1.012 0.000 3.213) 3.369 16.113 ( -0.775 0.000 -6.104) 6.153 16.307 ( 9.890 0.000 10.077) 14.119 16.622 ( 7.557 0.000 -23.097) 24.302 16.892 ( 11.276 0.000 19.535) 22.556 17.358 ( 11.483 0.000 -27.934) 30.202 17.734 ( -13.816 0.000 8.043) 15.987 17.913 ( -12.749 0.000 -10.201) 16.327 18.147 ( -19.934 0.000 21.672) 29.445 18.538 ( -17.107 0.000 -18.479) 25.182 19.834 ( 12.005 0.000 9.914) 15.570 19.927 ( 12.416 0.000 18.910) 22.622 20.026 ( 12.677 0.000 -9.381) 15.770 20.254 ( 4.747 0.000 -14.794) 15.537 21.270 ( -15.324 0.000 7.933) 17.255 21.402 ( -13.335 0.000 -5.331) 14.361 22.436 ( -3.731 0.000 9.059) 9.797 22.599 ( -6.689 0.000 -7.240) 9.857 22.823 ( 3.925 0.000 9.593) 10.365 22.998 ( -1.022 0.000 -8.069) 8.133 23.343 ( 1.007 0.000 3.100) 3.259 23.382 ( 0.857 0.000 -0.585) 1.037 23.851 ( 2.846 0.000 2.038) 3.500 23.903 ( 2.124 0.000 -3.310) 3.933 24.807 ( 3.785 0.000 10.136) 10.820 24.930 ( 2.971 0.000 6.053) 6.743 24.961 ( 1.011 0.000 3.088) 3.249 25.004 ( 3.845 0.000 -4.181) 5.680 25.044 ( 3.940 0.000 -5.631) 6.873 25.114 ( 4.439 0.000 -7.905) 9.066 25.241 ( 0.126 0.000 3.283) 3.285 25.303 ( 2.041 0.000 -2.726) 3.405 25.637 ( -3.174 0.000 5.341) 6.213 25.717 ( -3.781 0.000 -3.418) 5.097 25.799 ( 1.093 0.000 4.487) 4.618 25.872 ( 3.807 0.000 -3.335) 5.061 26.189 ( -7.203 0.000 5.351) 8.973 26.294 ( -5.074 0.000 -5.679) 7.616 27.750 ( 5.891 0.000 7.093) 9.221 27.819 ( 6.666 0.000 0.394) 6.678 28.132 ( -3.467 0.000 13.282) 13.727 28.349 ( -7.231 0.000 3.879) 8.205 28.356 ( -1.539 0.000 -9.839) 9.959 28.392 ( -6.166 0.000 -0.522) 6.188 28.579 ( 2.134 0.000 11.103) 11.306 28.794 ( 1.952 0.000 -11.120) 11.290 35.053 ( -0.056 0.000 0.569) 0.572 35.070 ( 0.008 0.000 -0.950) 0.950 35.122 ( -0.228 0.000 0.009) 0.228 35.145 ( -0.438 0.000 -2.043) 2.089 35.215 ( -0.104 0.000 0.110) 0.151 35.231 ( -0.552 0.000 -1.493) 1.592 35.539 ( 1.476 0.000 6.322) 6.492 35.643 ( -1.137 0.000 -4.169) 4.321 36.171 ( 2.832 0.000 5.050) 5.790 36.199 ( 2.864 0.000 5.533) 6.230 36.264 ( 0.416 0.000 -4.488) 4.507 36.277 ( 1.387 0.000 -2.510) 2.868 37.530 ( 0.890 0.000 9.861) 9.901 37.764 ( -4.324 0.000 -13.882) 14.540 38.214 ( 0.625 0.000 5.375) 5.412 38.372 ( -3.005 0.000 -10.487) 10.909 38.644 ( 1.566 0.000 1.777) 2.368 38.720 ( -0.378 0.000 -5.747) 5.760 38.966 ( 1.116 0.000 3.494) 3.668 39.057 ( -1.112 0.000 -5.752) 5.858 ======================= Grid point 127 (48/54) ======================= q-point: ( 0.40 0.00 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.515 0.000 0.024) 0.516 2.072 ( -1.215 0.000 -0.330) 1.259 2.625 ( 0.427 0.000 1.047) 1.130 2.630 ( -0.118 0.000 0.475) 0.489 2.655 ( 1.009 0.000 0.210) 1.031 2.668 ( -0.128 0.000 -1.158) 1.165 2.688 ( 1.062 0.000 0.128) 1.069 2.704 ( -0.163 0.000 -1.406) 1.415 2.750 ( 0.525 0.000 1.830) 1.904 2.771 ( -0.142 0.000 0.694) 0.709 2.776 ( -1.756 0.000 -0.756) 1.912 2.781 ( -1.042 0.000 -0.403) 1.117 3.973 ( 10.260 0.000 -0.086) 10.260 4.036 ( 10.291 0.000 -6.736) 12.300 4.310 ( -11.045 0.000 4.974) 12.113 4.333 ( 3.648 0.000 5.703) 6.770 4.405 ( -3.240 0.000 -1.981) 3.798 4.445 ( -17.574 0.000 -8.676) 19.599 5.280 ( 4.556 0.000 10.264) 11.230 5.338 ( -0.473 0.000 4.670) 4.694 5.579 ( 13.598 0.000 12.932) 18.765 5.777 ( -5.159 0.000 -1.774) 5.456 6.094 ( 18.920 0.000 11.091) 21.931 6.287 ( 0.685 0.000 1.958) 2.075 6.372 ( -6.447 0.000 -5.802) 8.673 6.441 ( -3.209 0.000 -12.887) 13.280 6.669 ( -6.244 0.000 11.662) 13.229 6.929 ( -20.709 0.000 -9.525) 22.794 7.226 ( 36.850 0.000 17.952) 40.990 7.373 ( 32.523 0.000 6.405) 33.147 7.468 ( 31.770 0.000 -3.594) 31.973 7.626 ( 22.154 0.000 -21.363) 30.776 8.124 ( -22.105 0.000 8.982) 23.860 8.130 ( -34.832 0.000 16.854) 38.695 8.248 ( -25.783 0.000 -3.712) 26.048 8.390 ( -34.356 0.000 -10.401) 35.895 9.116 ( 5.401 0.000 15.542) 16.454 9.235 ( -3.951 0.000 13.735) 14.292 9.311 ( 14.349 0.000 8.488) 16.671 9.325 ( 1.838 0.000 2.937) 3.464 9.380 ( -3.227 0.000 2.171) 3.889 9.409 ( 6.050 0.000 -0.832) 6.107 9.758 ( -6.281 0.000 13.290) 14.700 9.850 ( -10.881 0.000 4.274) 11.690 9.997 ( 0.378 0.000 15.553) 15.558 10.112 ( -10.027 0.000 2.844) 10.423 10.323 ( 7.583 0.000 31.514) 32.414 10.463 ( -4.790 0.000 33.027) 33.373 10.722 ( 1.448 0.000 -6.957) 7.106 10.783 ( -3.898 0.000 -10.929) 11.603 10.872 ( 5.303 0.000 -19.420) 20.131 10.941 ( -1.203 0.000 -11.997) 12.057 11.267 ( 9.345 0.000 -26.514) 28.112 11.333 ( -1.474 0.000 6.496) 6.662 11.416 ( -9.187 0.000 0.662) 9.211 11.451 ( -7.488 0.000 -33.111) 33.947 11.802 ( 6.054 0.000 0.449) 6.070 11.918 ( -5.172 0.000 -7.981) 9.511 12.300 ( 2.963 0.000 4.363) 5.274 12.327 ( -0.432 0.000 1.212) 1.287 12.712 ( 9.133 0.000 -3.827) 9.902 12.736 ( 5.876 0.000 -6.267) 8.591 12.808 ( 11.920 0.000 1.202) 11.980 12.850 ( 14.457 0.000 -2.307) 14.640 12.939 ( 6.847 0.000 0.788) 6.892 13.018 ( 1.668 0.000 -5.862) 6.095 13.209 ( 5.509 0.000 2.116) 5.901 13.223 ( -7.939 0.000 6.776) 10.437 13.276 ( 5.391 0.000 -4.254) 6.867 13.372 ( -16.069 0.000 -7.524) 17.743 13.566 ( -8.204 0.000 1.327) 8.311 13.661 ( -12.046 0.000 -7.328) 14.100 14.389 ( 2.443 0.000 0.906) 2.606 14.419 ( -0.608 0.000 -1.931) 2.025 14.586 ( 1.844 0.000 3.794) 4.218 14.617 ( -1.036 0.000 0.726) 1.265 15.776 ( 4.490 0.000 -0.065) 4.491 15.822 ( -0.291 0.000 -4.620) 4.629 16.060 ( 1.584 0.000 -1.817) 2.410 16.091 ( -1.404 0.000 -5.208) 5.394 16.591 ( 16.094 0.000 6.473) 17.347 16.771 ( 2.463 0.000 -11.298) 11.564 17.218 ( 20.364 0.000 22.111) 30.059 17.472 ( -6.748 0.000 0.124) 6.749 17.601 ( -15.453 0.000 -12.094) 19.622 17.674 ( -2.809 0.000 -1.160) 3.039 17.686 ( -1.865 0.000 -1.514) 2.402 18.120 ( -22.650 0.000 -22.348) 31.819 20.135 ( 15.365 0.000 10.150) 18.415 20.175 ( 10.408 0.000 9.990) 14.427 20.268 ( 6.323 0.000 -2.471) 6.789 20.300 ( -1.567 0.000 -2.774) 3.186 20.973 ( -8.616 0.000 4.031) 9.512 21.083 ( -15.450 0.000 -6.262) 16.670 22.388 ( 0.077 0.000 2.648) 2.649 22.456 ( -6.228 0.000 -4.021) 7.413 22.903 ( 3.640 0.000 3.570) 5.099 22.964 ( -2.369 0.000 -2.577) 3.501 23.370 ( 1.320 0.000 2.215) 2.579 23.388 ( -0.338 0.000 0.456) 0.568 23.912 ( 2.554 0.000 0.375) 2.581 23.935 ( 0.465 0.000 -1.972) 2.026 24.900 ( 4.686 0.000 9.808) 10.870 24.966 ( -1.355 0.000 8.014) 8.128 25.006 ( 4.146 0.000 5.819) 7.144 25.074 ( -1.692 0.000 -0.193) 1.703 25.100 ( 5.070 0.000 -6.492) 8.237 25.167 ( -0.407 0.000 -8.868) 8.877 25.282 ( 3.410 0.000 0.241) 3.418 25.327 ( -0.339 0.000 -3.307) 3.324 25.589 ( -0.471 0.000 3.004) 3.040 25.631 ( -3.989 0.000 -1.577) 4.289 25.849 ( 3.970 0.000 5.421) 6.719 25.931 ( -1.069 0.000 -2.703) 2.906 26.069 ( -0.758 0.000 4.199) 4.267 26.163 ( -6.951 0.000 -4.949) 8.533 27.922 ( 10.580 0.000 6.424) 12.377 27.996 ( 10.130 0.000 -0.915) 10.171 28.132 ( 3.333 0.000 9.393) 9.966 28.157 ( -10.898 0.000 5.573) 12.240 28.220 ( -10.295 0.000 -0.674) 10.317 28.243 ( -6.896 0.000 -0.727) 6.935 28.686 ( 6.099 0.000 0.980) 6.177 28.784 ( -3.029 0.000 -7.786) 8.354 35.055 ( 0.329 0.000 0.675) 0.751 35.065 ( -0.490 0.000 -0.020) 0.490 35.123 ( 0.342 0.000 -1.138) 1.189 35.134 ( -0.607 0.000 -1.945) 2.038 35.214 ( 0.100 0.000 -0.317) 0.332 35.220 ( -0.444 0.000 -0.865) 0.973 35.576 ( 1.974 0.000 3.696) 4.190 35.614 ( -1.713 0.000 -0.051) 1.714 36.231 ( 2.615 0.000 1.306) 2.923 36.262 ( 2.782 0.000 3.460) 4.440 36.265 ( -0.646 0.000 -2.042) 2.142 36.294 ( -0.175 0.000 0.250) 0.306 37.570 ( 3.238 0.000 2.552) 4.123 37.660 ( -5.340 0.000 -6.464) 8.384 38.241 ( 2.126 0.000 0.861) 2.294 38.300 ( -3.598 0.000 -5.079) 6.224 38.679 ( 1.685 0.000 -1.308) 2.132 38.707 ( -1.011 0.000 -3.967) 4.094 38.994 ( 1.629 0.000 0.017) 1.630 39.028 ( -1.657 0.000 -3.336) 3.724 ======================= Grid point 130 (49/54) ======================= q-point: ( 0.00 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.232 ( 0.000 11.263 0.205) 11.264 2.259 ( 0.000 10.956 -2.230) 11.180 2.575 ( 0.000 -4.326 0.657) 4.376 2.590 ( 0.000 -3.716 -0.321) 3.730 2.617 ( 0.000 -0.020 1.828) 1.828 2.633 ( 0.000 -0.056 0.015) 0.058 2.695 ( 0.000 0.740 -0.045) 0.741 2.700 ( 0.000 0.845 -0.445) 0.955 2.780 ( 0.000 1.326 2.640) 2.954 2.789 ( 0.000 0.054 1.634) 1.635 2.819 ( 0.000 0.552 -0.467) 0.723 2.833 ( 0.000 0.417 -1.255) 1.323 3.950 ( 0.000 16.538 -2.506) 16.727 3.978 ( 0.000 21.308 -4.853) 21.854 4.397 ( 0.000 10.109 10.191) 14.354 4.558 ( 0.000 0.904 -7.288) 7.344 4.896 ( 0.000 5.199 4.173) 6.667 4.918 ( 0.000 1.787 1.096) 2.097 5.051 ( 0.000 -3.899 14.065) 14.595 5.168 ( 0.000 -0.460 21.858) 21.863 5.271 ( 0.000 -11.551 -4.333) 12.337 5.408 ( 0.000 -16.243 1.971) 16.362 5.685 ( 0.000 -13.289 2.163) 13.464 5.768 ( 0.000 -1.249 -14.468) 14.521 6.310 ( 0.000 9.453 1.715) 9.607 6.349 ( 0.000 2.864 -3.769) 4.734 6.467 ( 0.000 -5.498 2.318) 5.967 6.539 ( 0.000 -6.524 -1.829) 6.775 7.062 ( 0.000 17.402 0.536) 17.411 7.073 ( 0.000 10.416 1.016) 10.465 7.706 ( 0.000 -5.058 3.297) 6.038 7.734 ( 0.000 -5.396 -1.612) 5.632 8.120 ( 0.000 -5.792 22.462) 23.197 8.374 ( 0.000 1.197 -1.827) 2.184 8.515 ( 0.000 -3.916 -0.685) 3.975 8.677 ( 0.000 -18.686 -11.986) 22.200 8.979 ( 0.000 -22.491 7.547) 23.724 9.141 ( 0.000 -20.674 0.832) 20.691 9.234 ( 0.000 2.303 18.301) 18.446 9.294 ( 0.000 -1.486 9.651) 9.765 9.697 ( 0.000 9.865 10.935) 14.727 9.766 ( 0.000 15.854 9.096) 18.278 9.982 ( 0.000 7.721 20.763) 22.152 10.192 ( 0.000 11.820 7.764) 14.141 10.265 ( 0.000 2.706 -2.449) 3.650 10.295 ( 0.000 1.722 4.377) 4.703 10.430 ( 0.000 1.225 1.525) 1.956 10.509 ( 0.000 0.647 4.370) 4.417 10.605 ( 0.000 11.918 3.946) 12.554 10.863 ( 0.000 -2.150 -8.021) 8.304 10.912 ( 0.000 -2.351 -2.259) 3.260 10.920 ( 0.000 1.957 -12.899) 13.046 11.230 ( 0.000 -3.258 -6.618) 7.376 11.308 ( 0.000 -7.240 -3.279) 7.948 11.531 ( 0.000 -13.107 -8.142) 15.430 11.568 ( 0.000 -12.559 -5.708) 13.795 11.881 ( 0.000 4.059 5.825) 7.100 11.957 ( 0.000 2.671 9.263) 9.640 12.131 ( 0.000 1.049 -9.139) 9.199 12.149 ( 0.000 0.576 7.492) 7.514 12.308 ( 0.000 3.410 -1.932) 3.919 12.374 ( 0.000 -1.151 -11.196) 11.255 12.502 ( 0.000 0.159 -16.360) 16.361 12.519 ( 0.000 1.222 -18.977) 19.017 12.835 ( 0.000 16.260 -4.418) 16.849 12.842 ( 0.000 14.554 -4.333) 15.186 13.210 ( 0.000 -1.449 0.311) 1.482 13.217 ( 0.000 -2.273 -0.107) 2.275 13.513 ( 0.000 0.449 10.818) 10.827 13.687 ( 0.000 -7.553 -5.926) 9.601 13.857 ( 0.000 -6.601 0.070) 6.601 13.869 ( 0.000 -5.080 -1.763) 5.378 14.313 ( 0.000 3.014 5.172) 5.986 14.412 ( 0.000 2.067 -4.410) 4.870 14.560 ( 0.000 -1.197 2.247) 2.546 14.600 ( 0.000 0.017 -1.451) 1.451 15.657 ( 0.000 9.753 6.224) 11.570 15.807 ( 0.000 3.403 -8.637) 9.283 16.043 ( 0.000 1.583 4.927) 5.176 16.112 ( 0.000 -1.619 -1.519) 2.219 16.209 ( 0.000 0.458 8.508) 8.520 16.537 ( 0.000 -2.539 -13.486) 13.723 16.606 ( 0.000 -12.184 3.074) 12.566 16.989 ( 0.000 -18.878 -24.731) 31.113 18.012 ( 0.000 7.141 3.231) 7.838 18.049 ( 0.000 1.864 1.378) 2.318 18.554 ( 0.000 13.014 9.529) 16.130 18.776 ( 0.000 3.259 -12.241) 12.667 19.654 ( 0.000 -6.614 12.880) 14.479 19.656 ( 0.000 -4.386 7.115) 8.358 20.010 ( 0.000 7.521 -2.468) 7.916 20.186 ( 0.000 -0.897 -15.704) 15.730 21.616 ( 0.000 16.585 5.210) 17.384 21.698 ( 0.000 15.120 -2.933) 15.402 22.523 ( 0.000 3.300 11.659) 12.118 22.677 ( 0.000 -10.577 7.250) 12.823 22.708 ( 0.000 -3.212 -3.086) 4.454 22.812 ( 0.000 -28.633 -3.740) 28.876 22.905 ( 0.000 -19.138 1.094) 19.169 23.000 ( 0.000 -8.136 -7.151) 10.832 24.259 ( 0.000 24.623 3.214) 24.832 24.296 ( 0.000 24.427 -0.656) 24.436 24.800 ( 0.000 4.311 8.781) 9.782 24.883 ( 0.000 -0.152 2.973) 2.977 24.967 ( 0.000 -0.172 1.253) 1.265 24.990 ( 0.000 2.471 -6.456) 6.913 25.002 ( 0.000 1.776 -0.943) 2.011 25.080 ( 0.000 2.191 -6.326) 6.695 25.224 ( 0.000 -2.473 0.837) 2.611 25.239 ( 0.000 -2.800 -0.293) 2.816 25.502 ( 0.000 -15.715 1.727) 15.809 25.528 ( 0.000 -11.647 -0.776) 11.672 25.917 ( 0.000 6.210 3.409) 7.084 25.960 ( 0.000 7.063 -1.140) 7.154 26.241 ( 0.000 -2.857 2.508) 3.802 26.301 ( 0.000 -3.842 -3.995) 5.543 27.754 ( 0.000 6.121 7.570) 9.735 27.822 ( 0.000 7.040 0.814) 7.087 28.135 ( 0.000 -8.926 9.133) 12.770 28.202 ( 0.000 -7.582 2.114) 7.872 28.445 ( 0.000 1.653 3.319) 3.708 28.475 ( 0.000 1.380 0.379) 1.431 28.602 ( 0.000 -0.138 1.177) 1.185 28.706 ( 0.000 -3.534 -8.817) 9.499 35.106 ( 0.000 3.802 0.044) 3.802 35.118 ( 0.000 1.181 -0.874) 1.469 35.127 ( 0.000 1.939 -1.070) 2.215 35.135 ( 0.000 -0.952 -1.518) 1.792 35.253 ( 0.000 3.600 1.441) 3.878 35.291 ( 0.000 5.750 -2.371) 6.220 35.487 ( 0.000 -3.278 6.348) 7.144 35.614 ( 0.000 -4.224 -6.586) 7.824 36.150 ( 0.000 1.043 6.663) 6.744 36.174 ( 0.000 0.456 6.007) 6.024 36.257 ( 0.000 -0.110 -4.445) 4.447 36.260 ( 0.000 0.013 -2.959) 2.959 37.566 ( 0.000 4.534 11.673) 12.523 37.836 ( 0.000 2.524 -15.679) 15.881 38.017 ( 0.000 -14.285 6.667) 15.764 38.204 ( 0.000 -13.484 -11.720) 17.866 38.726 ( 0.000 4.720 0.406) 4.737 38.766 ( 0.000 1.934 -2.911) 3.495 39.037 ( 0.000 6.345 1.698) 6.569 39.106 ( 0.000 2.730 -5.075) 5.762 ======================= Grid point 131 (50/54) ======================= q-point: ( 0.20 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.220 ( -1.027 11.131 0.416) 11.186 2.241 ( -1.555 11.060 -1.338) 11.249 2.568 ( -0.393 -4.441 1.061) 4.583 2.583 ( -0.559 -4.332 -0.159) 4.371 2.635 ( 1.511 0.275 1.105) 1.892 2.649 ( 1.324 -0.186 -0.428) 1.404 2.694 ( -0.015 0.912 0.248) 0.945 2.705 ( 0.328 0.480 -0.847) 1.027 2.775 ( -0.453 1.230 2.083) 2.461 2.782 ( -0.617 0.093 1.425) 1.556 2.807 ( -1.055 0.473 -0.492) 1.257 2.818 ( -1.406 0.465 -1.202) 1.908 4.004 ( 4.938 16.564 -2.208) 17.425 4.027 ( 4.923 17.991 -4.067) 19.090 4.378 ( -1.104 8.967 6.923) 11.382 4.496 ( -4.783 2.010 -5.375) 7.471 4.732 ( -11.492 10.543 10.797) 18.968 4.882 ( -7.441 7.474 -4.869) 11.616 5.087 ( -0.148 -10.563 10.553) 14.932 5.133 ( 3.523 -10.655 12.232) 16.600 5.281 ( 2.186 -9.338 1.505) 9.708 5.497 ( 13.443 -12.808 -10.477) 21.319 5.848 ( 8.352 -1.820 9.687) 12.919 6.057 ( 12.040 -12.118 -2.983) 17.341 6.308 ( -2.559 0.422 -0.250) 2.605 6.373 ( 6.741 -5.837 -1.182) 8.995 6.606 ( 19.843 2.366 9.304) 22.043 6.815 ( 21.339 3.277 -5.529) 22.286 7.110 ( 8.562 11.090 3.225) 14.377 7.150 ( 6.423 16.754 -0.411) 17.947 7.385 ( -17.381 -0.279 1.892) 17.486 7.458 ( -17.988 -1.929 -4.757) 18.706 8.322 ( 5.352 -7.530 14.419) 17.124 8.470 ( 5.102 0.076 -0.742) 5.156 8.597 ( 3.977 -3.309 2.141) 5.599 8.787 ( 8.889 -18.803 -4.607) 21.302 8.885 ( -11.218 -15.242 0.131) 18.925 8.941 ( -23.895 -1.770 9.567) 25.800 9.046 ( -11.107 -11.853 1.117) 16.282 9.093 ( -12.233 -12.742 3.521) 18.011 9.729 ( 0.166 10.981 17.274) 20.469 9.734 ( -1.384 15.330 18.579) 24.127 9.939 ( -10.710 2.851 18.456) 21.528 10.020 ( -10.762 3.821 17.157) 20.611 10.151 ( -3.659 10.814 4.724) 12.355 10.364 ( 0.668 -3.042 0.553) 3.163 10.416 ( 2.626 10.733 5.724) 12.444 10.555 ( 2.085 10.506 -3.578) 11.293 10.693 ( 4.014 -1.811 10.392) 11.287 10.805 ( -6.116 0.394 -9.610) 11.398 10.856 ( -0.840 2.922 -8.370) 8.905 10.921 ( -1.041 -6.433 -2.716) 7.060 11.048 ( -8.285 -0.822 -3.436) 9.007 11.288 ( -6.423 -13.149 -6.703) 16.096 11.352 ( -8.982 -15.705 -9.928) 20.637 11.474 ( -6.399 -13.893 -18.068) 23.673 11.886 ( 3.186 13.945 0.750) 14.324 12.064 ( -0.329 5.902 -11.451) 12.887 12.246 ( 12.603 -0.257 7.531) 14.684 12.308 ( 12.281 -2.418 1.943) 12.667 12.481 ( 14.811 4.238 -0.578) 15.416 12.546 ( 11.270 5.242 -2.678) 12.715 12.629 ( 12.630 2.343 -12.546) 17.956 12.675 ( 10.904 1.294 -15.660) 19.126 12.858 ( 3.877 9.430 -1.649) 10.329 12.867 ( 3.712 11.501 -4.700) 12.967 13.191 ( -1.704 -1.631 0.774) 2.482 13.212 ( -0.549 -1.389 -1.969) 2.471 13.435 ( -7.334 1.101 9.538) 12.082 13.587 ( -8.993 -6.233 -4.380) 11.786 13.746 ( -10.758 -3.928 -0.416) 11.460 13.788 ( -7.037 -6.776 -3.917) 10.525 14.348 ( 2.663 0.780 3.678) 4.608 14.406 ( 0.021 2.518 -2.265) 3.387 14.552 ( -0.806 -2.706 2.908) 4.053 14.594 ( -1.236 -2.348 -1.177) 2.903 15.732 ( 6.040 8.383 2.920) 10.738 15.834 ( 2.228 3.776 -6.960) 8.225 16.051 ( 0.645 1.165 1.932) 2.346 16.109 ( -0.619 -1.022 -4.327) 4.489 16.304 ( 9.953 0.448 10.884) 14.756 16.613 ( 7.083 -1.830 -15.080) 16.761 16.714 ( 10.080 -13.232 8.168) 18.531 17.066 ( 6.469 -20.075 -20.683) 29.541 17.894 ( -9.070 8.511 0.876) 12.469 17.917 ( -11.494 3.141 1.756) 12.044 18.348 ( -17.997 13.307 6.991) 23.449 18.578 ( -17.557 2.371 -14.303) 22.769 19.784 ( 11.862 -3.981 8.195) 14.957 19.797 ( 12.491 -6.661 10.442) 17.590 20.140 ( 9.830 5.435 -1.689) 11.359 20.256 ( 4.735 -0.575 -10.520) 11.551 21.458 ( -12.745 18.272 6.778) 23.286 21.579 ( -10.931 17.143 -5.309) 21.013 22.410 ( -7.248 -6.379 8.857) 13.103 22.569 ( -9.415 -7.967 -6.947) 14.155 22.767 ( 5.366 -6.177 8.738) 11.971 22.903 ( 5.175 -21.937 0.065) 22.540 22.928 ( 1.238 -11.972 -1.894) 12.184 23.000 ( 0.077 -12.288 -4.868) 13.217 24.279 ( 1.818 24.664 2.800) 24.889 24.311 ( 1.267 24.078 -0.486) 24.116 24.835 ( 3.041 3.270 8.161) 9.303 24.887 ( 0.249 -1.865 4.083) 4.496 24.998 ( 2.709 0.502 4.507) 5.282 25.028 ( 2.993 1.487 -3.940) 5.167 25.042 ( 3.737 1.539 -3.996) 5.684 25.142 ( 4.576 1.511 -7.727) 9.106 25.221 ( 1.243 -1.291 2.563) 3.128 25.269 ( 2.234 -2.499 -1.945) 3.875 25.514 ( 1.264 -12.619 2.906) 13.011 25.562 ( 1.894 -8.942 -1.933) 9.342 25.898 ( -1.333 4.293 2.500) 5.143 25.934 ( -1.995 6.039 -1.064) 6.449 26.154 ( -7.287 -2.921 4.630) 9.114 26.246 ( -5.391 -4.390 -4.938) 8.528 27.803 ( 5.050 5.022 8.039) 10.740 27.892 ( 6.334 6.984 -0.805) 9.463 28.075 ( -1.458 -5.245 12.588) 13.714 28.276 ( 1.611 -7.411 -7.682) 10.795 28.370 ( -6.903 1.971 4.565) 8.508 28.427 ( -4.256 2.140 -0.289) 4.773 28.549 ( -2.326 -1.464 7.751) 8.224 28.729 ( 0.298 -5.840 -9.640) 11.275 35.105 ( 0.033 3.731 0.295) 3.742 35.122 ( 0.039 0.079 -0.356) 0.367 35.125 ( 0.088 3.121 -1.622) 3.519 35.136 ( 0.094 -0.439 -1.707) 1.765 35.249 ( -0.300 3.747 1.242) 3.959 35.281 ( -0.921 5.711 -2.018) 6.127 35.498 ( 1.019 -3.948 5.621) 6.944 35.598 ( -1.400 -4.495 -4.557) 6.553 36.184 ( 2.956 1.175 4.902) 5.844 36.207 ( 2.934 0.573 5.090) 5.903 36.266 ( 0.780 0.221 -3.356) 3.453 36.279 ( 1.474 0.041 -2.316) 2.746 37.570 ( 0.662 4.339 9.113) 10.115 37.791 ( -4.193 2.979 -13.213) 14.179 38.015 ( 0.046 -14.904 5.275) 15.810 38.167 ( -3.320 -13.982 -9.957) 17.483 38.753 ( 2.538 5.692 0.237) 6.237 38.797 ( 2.582 3.615 -3.853) 5.880 39.022 ( -1.325 4.848 1.521) 5.251 39.085 ( -2.025 2.055 -4.688) 5.505 ======================= Grid point 132 (51/54) ======================= q-point: ( 0.40 0.25 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.202 ( -0.394 11.272 0.738) 11.303 2.210 ( -1.167 11.394 0.069) 11.454 2.565 ( 0.159 -4.925 0.924) 5.014 2.572 ( -0.460 -4.849 0.410) 4.888 2.667 ( 1.461 0.599 0.310) 1.609 2.678 ( 1.074 0.401 -0.668) 1.327 2.694 ( 0.108 0.429 0.230) 0.499 2.707 ( -0.419 0.087 -1.002) 1.089 2.767 ( 0.011 0.934 0.847) 1.261 2.772 ( -0.134 0.134 0.554) 0.585 2.783 ( -1.127 0.299 -0.424) 1.241 2.784 ( -1.533 0.452 -0.636) 1.720 4.131 ( 7.166 13.851 -0.548) 15.604 4.165 ( 7.254 11.020 -3.534) 13.659 4.324 ( -4.828 5.476 3.677) 8.174 4.380 ( -7.175 2.521 -1.693) 7.791 4.591 ( -0.417 18.765 3.193) 19.040 4.680 ( -8.512 15.820 -5.419) 18.764 5.136 ( 4.379 -10.327 7.913) 13.728 5.190 ( 0.454 -10.458 3.257) 10.963 5.483 ( 13.043 -13.161 13.546) 22.953 5.742 ( 4.875 -20.032 5.260) 21.277 5.757 ( -4.380 -7.729 -0.986) 8.938 6.032 ( -12.874 -15.792 -11.042) 23.175 6.421 ( 12.303 4.322 10.055) 16.466 6.579 ( 9.950 -3.102 1.772) 10.572 6.772 ( -11.895 12.467 5.171) 17.990 6.969 ( -18.659 1.694 -6.069) 19.695 7.292 ( 34.736 8.746 5.757) 36.280 7.485 ( 33.287 2.934 -7.298) 34.204 7.554 ( 29.228 8.023 3.470) 30.508 7.680 ( 24.931 9.961 -6.979) 27.739 8.104 ( -28.630 1.587 15.925) 32.800 8.217 ( -26.303 6.840 7.102) 28.091 8.338 ( -25.598 4.960 -4.884) 26.527 8.377 ( -31.104 0.053 -10.639) 32.873 8.799 ( 4.349 -21.358 6.045) 22.619 8.860 ( -2.983 -21.305 5.994) 22.332 8.955 ( 6.228 -21.619 -1.830) 22.573 9.027 ( -0.930 -21.163 -2.295) 21.307 9.642 ( -1.979 9.117 21.057) 23.031 9.686 ( -6.412 13.379 17.589) 23.011 9.815 ( -0.207 4.072 19.079) 19.509 9.842 ( -3.642 -2.586 20.577) 21.056 10.177 ( 2.617 12.967 13.499) 18.900 10.254 ( -5.462 10.161 10.282) 15.453 10.505 ( 1.940 10.030 18.740) 21.343 10.536 ( -3.051 11.104 5.873) 12.927 10.733 ( 1.553 1.480 -8.346) 8.617 10.765 ( 3.709 -9.440 -7.007) 12.327 10.822 ( -5.632 3.130 -8.791) 10.900 10.858 ( -3.484 -5.664 -5.688) 8.750 11.037 ( 6.149 -13.495 -7.844) 16.776 11.161 ( -4.322 -12.150 -7.195) 14.768 11.276 ( -0.780 -13.174 -15.759) 20.555 11.332 ( -6.407 -11.281 -24.638) 27.845 11.977 ( 4.910 15.830 -3.156) 16.872 12.048 ( -1.786 12.277 -7.661) 14.581 12.450 ( 7.283 2.567 -0.037) 7.722 12.496 ( 3.287 1.034 -5.210) 6.247 12.676 ( 6.724 6.430 2.595) 9.659 12.739 ( 0.606 7.493 -3.824) 8.434 12.859 ( 12.668 3.247 0.049) 13.078 12.940 ( 14.598 5.968 -6.366) 17.007 12.977 ( 5.625 3.025 -0.070) 6.387 13.032 ( 4.382 0.858 -4.565) 6.386 13.166 ( -2.579 -4.210 2.646) 5.601 13.181 ( -0.538 -1.982 1.063) 2.312 13.311 ( 0.069 1.819 -0.254) 1.838 13.366 ( -10.296 -1.084 -5.378) 11.666 13.503 ( -10.311 -4.967 1.045) 11.493 13.590 ( -11.584 -6.136 -7.058) 14.888 14.398 ( 2.017 -0.304 1.771) 2.702 14.416 ( 0.373 1.075 -0.171) 1.151 14.533 ( -0.573 -5.066 2.508) 5.682 14.552 ( -2.274 -5.213 0.598) 5.719 15.839 ( 3.676 6.225 -1.052) 7.305 15.869 ( 0.591 4.886 -3.903) 6.281 16.066 ( 0.875 -0.165 -2.617) 2.764 16.088 ( -1.271 -1.016 -4.837) 5.104 16.581 ( 15.138 0.019 6.826) 16.606 16.751 ( 2.047 -0.866 -9.869) 10.116 16.951 ( 11.758 -17.790 12.299) 24.617 17.132 ( -3.378 -20.501 -4.808) 21.326 17.719 ( -2.756 10.294 1.842) 10.814 17.814 ( 2.455 8.646 -9.396) 13.003 17.959 ( -14.503 12.489 -0.101) 19.140 18.169 ( -20.638 2.519 -16.749) 26.698 20.070 ( 14.124 -4.489 7.287) 16.515 20.077 ( 13.538 -5.356 6.754) 16.049 20.257 ( -1.453 -1.716 1.860) 2.918 20.282 ( -3.647 -2.246 -0.364) 4.298 21.251 ( -4.094 24.557 2.937) 25.069 21.337 ( -10.641 22.969 -5.228) 25.848 22.315 ( -0.920 -10.881 2.709) 11.251 22.386 ( -7.373 -10.897 -4.183) 13.806 22.862 ( 3.886 -3.834 3.787) 6.644 22.922 ( -1.870 -4.415 -1.276) 4.962 22.981 ( 2.478 -19.882 0.325) 20.039 23.005 ( -0.049 -18.590 -1.290) 18.635 24.320 ( 1.714 24.682 1.611) 24.794 24.333 ( 0.488 24.236 0.225) 24.242 24.887 ( 1.212 -2.857 5.868) 6.638 24.891 ( 0.220 -5.036 5.106) 7.175 25.050 ( 2.020 1.559 5.149) 5.747 25.067 ( 0.743 3.199 4.943) 5.935 25.143 ( 5.323 2.920 -5.820) 8.410 25.207 ( 0.155 1.882 -7.300) 7.541 25.275 ( 3.423 -0.184 0.340) 3.445 25.310 ( 0.752 -0.388 -2.812) 2.936 25.540 ( 1.283 -7.637 1.725) 7.934 25.568 ( -1.118 -5.164 -1.281) 5.437 25.876 ( -0.074 2.641 2.618) 3.720 25.911 ( -1.588 0.340 -1.246) 2.047 26.033 ( -1.382 -3.377 4.291) 5.633 26.113 ( -6.761 -4.587 -3.911) 9.058 27.954 ( 9.426 2.922 7.114) 12.165 28.041 ( 7.097 3.006 -0.448) 7.720 28.110 ( 2.963 -1.221 6.809) 7.526 28.190 ( -7.633 0.891 3.242) 8.340 28.216 ( -5.850 1.946 3.350) 7.017 28.301 ( -8.038 6.048 -2.920) 10.475 28.589 ( 5.089 -8.805 2.224) 10.410 28.690 ( -4.014 -8.535 -6.990) 11.739 35.108 ( 0.271 3.399 0.353) 3.428 35.116 ( -0.403 2.473 -0.106) 2.508 35.133 ( 0.405 1.035 -1.632) 1.974 35.137 ( -0.040 0.447 -1.864) 1.918 35.246 ( 0.212 4.263 0.421) 4.289 35.259 ( -1.016 5.135 -0.921) 5.315 35.526 ( 1.747 -4.803 3.135) 5.996 35.564 ( -1.867 -4.914 -0.595) 5.290 36.245 ( 2.528 1.270 1.733) 3.318 36.267 ( 1.698 0.707 1.824) 2.590 36.278 ( 0.717 0.767 -0.092) 1.054 36.300 ( 0.048 0.275 0.043) 0.282 37.604 ( 2.952 3.865 2.203) 5.339 37.689 ( -5.181 3.410 -6.350) 8.876 38.032 ( 1.840 -15.289 0.594) 15.410 38.090 ( -3.760 -14.858 -5.286) 16.212 38.813 ( 2.848 8.082 -1.023) 8.630 38.840 ( 0.771 8.043 -3.681) 8.879 39.001 ( 0.003 0.520 0.016) 0.521 39.034 ( -2.683 0.208 -3.252) 4.221 ======================= Grid point 135 (52/54) ======================= q-point: ( 0.00 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 51 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.433 ( 0.000 -3.888 0.517) 3.922 2.433 ( 0.000 3.888 0.517) 3.922 2.480 ( 0.000 -3.526 -0.644) 3.584 2.480 ( 0.000 3.526 -0.644) 3.584 2.628 ( 0.000 -0.501 1.024) 1.140 2.628 ( 0.000 0.501 1.024) 1.140 2.705 ( 0.000 -0.273 0.136) 0.305 2.705 ( 0.000 0.273 0.136) 0.305 2.791 ( 0.000 -0.014 1.242) 1.242 2.791 ( 0.000 0.014 1.242) 1.242 2.833 ( 0.000 -0.505 -0.307) 0.591 2.833 ( 0.000 0.505 -0.307) 0.591 4.267 ( 0.000 -6.139 -0.578) 6.166 4.267 ( 0.000 6.139 -0.577) 6.167 4.595 ( 0.000 -0.432 -4.271) 4.292 4.595 ( 0.000 0.432 -4.271) 4.292 4.825 ( 0.000 -1.155 5.223) 5.349 4.825 ( 0.000 1.155 5.223) 5.349 5.084 ( 0.000 -2.311 10.306) 10.562 5.084 ( 0.000 2.311 10.306) 10.562 5.180 ( 0.000 -5.784 8.028) 9.894 5.180 ( 0.000 5.784 8.028) 9.894 5.666 ( 0.000 -9.085 -7.879) 12.026 5.666 ( 0.000 9.085 -7.880) 12.026 6.374 ( 0.000 -1.115 1.571) 1.926 6.374 ( 0.000 1.115 1.571) 1.926 6.424 ( 0.000 -1.706 -4.218) 4.550 6.424 ( 0.000 1.706 -4.218) 4.550 7.251 ( 0.000 -2.006 7.162) 7.438 7.251 ( 0.000 2.006 7.163) 7.438 7.627 ( 0.000 -2.928 4.903) 5.711 7.627 ( 0.000 2.928 4.903) 5.711 8.330 ( 0.000 -17.171 -6.456) 18.344 8.330 ( 0.000 17.171 -6.456) 18.344 8.431 ( 0.000 -2.325 -0.824) 2.466 8.431 ( 0.000 2.325 -0.824) 2.466 8.755 ( 0.000 -9.682 4.779) 10.797 8.755 ( 0.000 9.682 4.779) 10.797 9.264 ( 0.000 -1.293 11.286) 11.360 9.264 ( 0.000 1.293 11.286) 11.360 9.869 ( 0.000 -4.886 28.862) 29.273 9.869 ( 0.000 4.886 28.862) 29.273 10.120 ( 0.000 -8.859 4.987) 10.166 10.120 ( 0.000 8.859 4.987) 10.166 10.374 ( 0.000 -0.549 8.934) 8.951 10.374 ( 0.000 0.549 8.934) 8.951 10.556 ( 0.000 -7.345 -22.899) 24.048 10.556 ( 0.000 7.345 -22.899) 24.048 10.704 ( 0.000 -3.617 8.719) 9.440 10.704 ( 0.000 3.617 8.719) 9.440 10.998 ( 0.000 -5.968 -10.091) 11.724 10.998 ( 0.000 5.968 -10.091) 11.724 11.203 ( 0.000 -9.554 3.138) 10.057 11.203 ( 0.000 9.555 3.138) 10.057 11.337 ( 0.000 -5.592 -5.618) 7.926 11.337 ( 0.000 5.592 -5.618) 7.926 11.980 ( 0.000 -2.518 3.558) 4.359 11.980 ( 0.000 2.518 3.558) 4.359 12.149 ( 0.000 -0.531 0.958) 1.096 12.149 ( 0.000 0.531 0.958) 1.096 12.347 ( 0.000 -1.302 -8.155) 8.258 12.347 ( 0.000 1.302 -8.155) 8.258 12.527 ( 0.000 -0.760 -19.988) 20.002 12.527 ( 0.000 0.760 -19.988) 20.002 13.047 ( 0.000 -0.834 -2.503) 2.638 13.047 ( 0.000 0.834 -2.503) 2.638 13.179 ( 0.000 -0.309 -0.432) 0.531 13.179 ( 0.000 0.309 -0.432) 0.531 13.543 ( 0.000 -4.382 2.229) 4.917 13.543 ( 0.000 4.382 2.229) 4.917 13.782 ( 0.000 -1.143 -0.063) 1.145 13.782 ( 0.000 1.143 -0.063) 1.145 14.423 ( 0.000 -6.196 4.188) 7.478 14.423 ( 0.000 6.196 4.188) 7.478 14.537 ( 0.000 -4.542 -3.444) 5.700 14.537 ( 0.000 4.542 -3.444) 5.700 15.867 ( 0.000 -3.759 -4.160) 5.607 15.867 ( 0.000 3.759 -4.160) 5.607 16.061 ( 0.000 -1.241 6.006) 6.132 16.061 ( 0.000 1.241 6.005) 6.132 16.277 ( 0.000 -9.278 10.756) 14.205 16.277 ( 0.000 9.278 10.756) 14.205 16.662 ( 0.000 -10.760 -25.528) 27.703 16.662 ( 0.000 10.760 -25.528) 27.703 18.087 ( 0.000 -0.042 2.877) 2.878 18.087 ( 0.000 0.042 2.877) 2.878 18.767 ( 0.000 -5.921 -2.387) 6.384 18.767 ( 0.000 5.921 -2.387) 6.384 19.586 ( 0.000 -0.815 9.283) 9.319 19.586 ( 0.000 0.815 9.283) 9.319 20.132 ( 0.000 -4.470 -7.682) 8.888 20.132 ( 0.000 4.470 -7.682) 8.888 22.027 ( 0.000 -7.344 1.387) 7.473 22.027 ( 0.000 7.344 1.387) 7.473 22.252 ( 0.000 -6.079 0.406) 6.092 22.252 ( 0.000 6.079 0.406) 6.092 22.633 ( 0.000 -5.225 9.278) 10.649 22.633 ( 0.000 5.225 9.278) 10.649 22.876 ( 0.000 -5.395 -7.560) 9.287 22.876 ( 0.000 5.395 -7.560) 9.287 24.552 ( 0.000 -1.575 4.090) 4.383 24.552 ( 0.000 1.575 4.090) 4.383 24.929 ( 0.000 -3.539 2.410) 4.282 24.929 ( 0.000 3.539 2.410) 4.282 25.016 ( 0.000 -11.537 -0.802) 11.565 25.016 ( 0.000 11.537 -0.802) 11.565 25.035 ( 0.000 -1.883 -2.125) 2.839 25.035 ( 0.000 1.883 -2.125) 2.839 25.189 ( 0.000 -0.548 0.763) 0.940 25.189 ( 0.000 0.548 0.763) 0.940 25.306 ( 0.000 -5.060 -2.836) 5.801 25.306 ( 0.000 5.060 -2.836) 5.801 26.022 ( 0.000 -2.424 2.708) 3.634 26.022 ( 0.000 2.424 2.708) 3.634 26.220 ( 0.000 -2.557 -1.655) 3.046 26.220 ( 0.000 2.557 -1.655) 3.046 27.927 ( 0.000 -10.355 8.821) 13.603 27.927 ( 0.000 10.355 8.821) 13.603 28.008 ( 0.000 -10.452 0.448) 10.462 28.008 ( 0.000 10.452 0.448) 10.462 28.479 ( 0.000 -1.220 2.924) 3.168 28.479 ( 0.000 1.220 2.924) 3.168 28.631 ( 0.000 -3.147 -4.168) 5.222 28.631 ( 0.000 3.147 -4.168) 5.222 35.121 ( 0.000 -0.342 -0.963) 1.022 35.121 ( 0.000 0.342 -0.963) 1.022 35.153 ( 0.000 -0.466 -1.208) 1.295 35.153 ( 0.000 0.466 -1.208) 1.295 35.352 ( 0.000 -4.484 3.880) 5.930 35.352 ( 0.000 4.484 3.880) 5.930 35.490 ( 0.000 -6.891 -4.798) 8.396 35.490 ( 0.000 6.891 -4.798) 8.396 36.173 ( 0.000 -0.803 5.954) 6.008 36.173 ( 0.000 0.803 5.954) 6.008 36.257 ( 0.000 -0.191 -2.878) 2.884 36.257 ( 0.000 0.191 -2.878) 2.884 37.723 ( 0.000 -11.080 8.886) 14.203 37.723 ( 0.000 11.080 8.886) 14.203 37.968 ( 0.000 -8.683 -13.642) 16.171 37.968 ( 0.000 8.683 -13.642) 16.171 38.778 ( 0.000 -0.759 -0.833) 1.128 38.778 ( 0.000 0.759 -0.833) 1.128 39.127 ( 0.000 -1.630 -2.028) 2.602 39.127 ( 0.000 1.630 -2.028) 2.602 ======================= Grid point 137 (53/54) ======================= q-point: ( 0.20 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( -0.455 -4.725 0.770) 4.809 2.427 ( -0.455 4.725 0.770) 4.809 2.461 ( -1.444 -4.498 -0.116) 4.725 2.461 ( -1.444 4.498 -0.116) 4.725 2.644 ( 1.420 -0.382 0.423) 1.531 2.644 ( 1.420 0.382 0.423) 1.531 2.706 ( 0.056 -0.354 0.037) 0.360 2.706 ( 0.056 0.354 0.037) 0.360 2.784 ( -0.561 -0.067 1.015) 1.162 2.784 ( -0.561 0.067 1.015) 1.162 2.819 ( -1.302 -0.404 -0.501) 1.453 2.819 ( -1.302 0.404 -0.501) 1.453 4.284 ( 1.661 -3.679 -0.968) 4.151 4.284 ( 1.661 3.679 -0.968) 4.151 4.544 ( -5.085 -1.961 -2.041) 5.820 4.544 ( -5.085 1.961 -2.041) 5.820 4.872 ( 2.954 -3.779 7.102) 8.570 4.872 ( 2.954 3.779 7.102) 8.570 4.961 ( -0.789 -5.310 11.294) 12.505 4.961 ( -0.789 5.310 11.294) 12.505 5.245 ( -0.246 -11.141 -9.730) 14.794 5.245 ( -0.246 11.141 -9.730) 14.794 5.853 ( 11.862 -4.509 8.154) 15.084 5.853 ( 11.862 4.509 8.154) 15.084 6.312 ( -4.023 -0.703 0.252) 4.092 6.312 ( -4.023 0.703 0.252) 4.092 6.710 ( 26.828 -8.884 -6.002) 28.891 6.710 ( 26.828 8.884 -6.002) 28.891 7.327 ( 1.202 -8.832 9.003) 12.669 7.327 ( 1.202 8.832 9.003) 12.669 7.429 ( -6.572 -2.748 0.318) 7.130 7.429 ( -6.572 2.748 0.318) 7.130 8.380 ( 3.229 -12.209 -3.897) 13.217 8.380 ( 3.229 12.209 -3.897) 13.217 8.521 ( 4.043 -1.626 -1.044) 4.481 8.521 ( 4.043 1.626 -1.044) 4.481 8.756 ( -0.588 -6.347 4.313) 7.696 8.756 ( -0.588 6.347 4.313) 7.696 8.981 ( -24.922 -3.115 5.494) 25.710 8.981 ( -24.922 3.115 5.494) 25.710 9.828 ( -5.180 -0.887 30.414) 30.864 9.828 ( -5.180 0.887 30.414) 30.864 10.086 ( -9.280 -4.165 10.128) 14.354 10.086 ( -9.280 4.166 10.128) 14.354 10.294 ( 1.029 -4.098 5.922) 7.275 10.294 ( 1.029 4.098 5.922) 7.275 10.581 ( 2.560 -9.447 -10.460) 14.325 10.581 ( 2.560 9.447 -10.460) 14.325 10.713 ( -2.044 -5.194 12.363) 13.565 10.713 ( -2.044 5.194 12.363) 13.565 10.969 ( -2.135 -13.685 -7.161) 15.592 10.969 ( -2.135 13.685 -7.161) 15.592 11.105 ( -5.916 -5.671 -5.190) 9.700 11.105 ( -5.916 5.671 -5.190) 9.700 11.166 ( -10.827 -9.234 -15.273) 20.875 11.166 ( -10.827 9.234 -15.273) 20.875 12.108 ( 9.318 -6.293 -4.517) 12.117 12.108 ( 9.318 6.293 -4.517) 12.117 12.240 ( 5.794 -4.359 0.804) 7.295 12.240 ( 5.794 4.359 0.804) 7.295 12.558 ( 17.278 -3.281 -3.198) 17.875 12.558 ( 17.278 3.281 -3.198) 17.875 12.674 ( 13.565 -1.575 -13.760) 19.386 12.674 ( 13.565 1.575 -13.760) 19.386 13.034 ( -1.230 -2.162 -1.541) 2.927 13.034 ( -1.230 2.162 -1.541) 2.927 13.169 ( -1.210 -2.030 -1.341) 2.717 13.169 ( -1.210 2.030 -1.341) 2.717 13.473 ( -6.398 -3.506 2.439) 7.693 13.473 ( -6.398 3.506 2.439) 7.693 13.688 ( -8.729 -1.133 -1.531) 8.935 13.688 ( -8.729 1.133 -1.531) 8.935 14.424 ( 0.103 -5.702 3.974) 6.951 14.424 ( 0.103 5.702 3.974) 6.951 14.509 ( -2.501 -4.495 -2.264) 5.620 14.509 ( -2.501 4.495 -2.264) 5.620 15.901 ( 3.044 -2.518 -4.115) 5.705 15.901 ( 3.044 2.518 -4.115) 5.705 16.062 ( -0.484 -1.705 1.043) 2.057 16.062 ( -0.484 1.705 1.043) 2.057 16.388 ( 10.627 -9.951 12.630) 19.273 16.388 ( 10.627 9.951 12.630) 19.273 16.735 ( 6.351 -10.383 -21.352) 24.577 16.735 ( 6.351 10.383 -21.352) 24.577 17.978 ( -8.684 -0.641 1.962) 8.926 17.978 ( -8.684 0.641 1.962) 8.926 18.555 ( -18.421 -5.878 -4.611) 19.878 18.555 ( -18.421 5.878 -4.611) 19.878 19.728 ( 12.572 -0.273 8.462) 15.157 19.728 ( 12.572 0.273 8.462) 15.157 20.219 ( 5.702 -2.874 -4.468) 7.793 20.219 ( 5.702 2.874 -4.468) 7.793 21.903 ( -8.685 -12.525 1.936) 15.364 21.903 ( -8.685 12.525 1.936) 15.364 22.157 ( -8.877 -13.057 -0.970) 15.819 22.157 ( -8.877 13.057 -0.970) 15.819 22.709 ( 5.594 -2.885 7.020) 9.429 22.709 ( 5.594 2.885 7.020) 9.429 22.878 ( -0.113 -3.882 -6.002) 7.149 22.878 ( -0.113 3.882 -6.002) 7.149 24.581 ( 2.800 -1.249 3.956) 5.005 24.581 ( 2.800 1.249 3.956) 5.005 24.899 ( -4.607 -2.505 1.181) 5.375 24.899 ( -4.607 2.505 1.181) 5.375 25.027 ( 3.877 -6.295 2.209) 7.716 25.027 ( 3.877 6.295 2.209) 7.716 25.088 ( 4.436 -2.852 -1.835) 5.583 25.088 ( 4.436 2.852 -1.835) 5.583 25.238 ( 4.132 -4.107 1.039) 5.918 25.238 ( 4.132 4.107 1.039) 5.918 25.369 ( 4.391 -6.275 -4.528) 8.897 25.369 ( 4.391 6.275 -4.528) 8.897 25.987 ( -3.039 -2.909 3.658) 5.575 25.987 ( -3.039 2.909 3.658) 5.575 26.145 ( -6.643 -4.077 -2.099) 8.071 26.145 ( -6.643 4.077 -2.099) 8.071 27.935 ( 1.976 -7.277 10.099) 12.603 27.935 ( 1.976 7.277 10.099) 12.603 28.083 ( 5.802 -10.373 -3.526) 12.397 28.083 ( 5.802 10.373 -3.526) 12.397 28.419 ( -5.091 -2.437 5.655) 7.989 28.419 ( -5.091 2.437 5.655) 7.989 28.599 ( -3.455 -5.889 -4.846) 8.373 28.599 ( -3.455 5.889 -4.846) 8.373 35.124 ( 0.348 -0.335 -0.945) 1.061 35.124 ( 0.348 0.335 -0.945) 1.061 35.152 ( -0.139 -0.534 -1.148) 1.274 35.152 ( -0.139 0.534 -1.148) 1.274 35.360 ( 0.808 -5.048 3.316) 6.093 35.360 ( 0.808 5.048 3.316) 6.093 35.469 ( -1.868 -6.880 -3.485) 7.936 35.469 ( -1.868 6.880 -3.485) 7.936 36.208 ( 3.075 -0.768 4.631) 5.612 36.208 ( 3.075 0.768 4.631) 5.612 36.274 ( 1.352 -0.484 -2.106) 2.548 36.274 ( 1.352 0.484 -2.106) 2.548 37.725 ( 0.375 -11.030 6.806) 12.966 37.725 ( 0.375 11.030 6.806) 12.966 37.921 ( -4.195 -9.075 -11.399) 15.162 37.921 ( -4.195 9.075 -11.399) 15.162 38.821 ( 3.871 -1.062 -1.274) 4.212 38.821 ( 3.871 1.063 -1.274) 4.212 39.098 ( -2.788 -1.586 -2.020) 3.791 39.098 ( -2.788 1.586 -2.020) 3.791 ======================= Grid point 139 (54/54) ======================= q-point: ( 0.40 -0.50 0.45) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.10e-04 1.10e-04 1.10e-04 1.10e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 0.156 -6.283 1.025) 6.369 2.422 ( 0.156 6.284 1.025) 6.369 2.435 ( -1.051 -6.188 0.597) 6.305 2.435 ( -1.051 6.188 0.597) 6.305 2.678 ( 1.738 -0.338 -0.165) 1.778 2.678 ( 1.738 0.338 -0.165) 1.778 2.703 ( -0.601 -0.419 -0.130) 0.744 2.703 ( -0.601 0.419 -0.130) 0.744 2.775 ( -0.122 -0.053 0.320) 0.346 2.775 ( -0.122 0.053 0.320) 0.346 2.788 ( -1.433 -0.110 -0.533) 1.533 2.788 ( -1.433 0.110 -0.533) 1.533 4.335 ( 3.414 -0.580 -0.743) 3.541 4.335 ( 3.414 0.580 -0.743) 3.541 4.425 ( -5.618 -1.536 -0.094) 5.825 4.425 ( -5.618 1.536 -0.094) 5.825 4.922 ( 3.724 -13.560 7.770) 16.066 4.922 ( 3.724 13.560 7.770) 16.066 4.997 ( -1.757 -9.464 1.003) 9.678 4.997 ( -1.757 9.464 1.003) 9.678 5.345 ( 13.950 -12.742 -0.943) 18.917 5.345 ( 13.950 12.742 -0.943) 18.917 5.719 ( -19.276 -10.747 1.050) 22.094 5.719 ( -19.276 10.747 1.050) 22.094 6.531 ( 19.837 -4.670 4.639) 20.901 6.531 ( 19.837 4.670 4.639) 20.901 6.932 ( -18.400 -4.840 2.562) 19.197 6.932 ( -18.400 4.840 2.562) 19.197 7.445 ( 36.290 -4.207 -3.608) 36.711 7.445 ( 36.290 4.207 -3.608) 36.711 7.792 ( 25.365 -6.179 3.633) 26.359 7.792 ( 25.365 6.179 3.633) 26.359 8.248 ( -27.832 -10.588 0.958) 29.793 8.248 ( -27.832 10.588 0.958) 29.793 8.376 ( -19.816 -8.531 3.400) 21.841 8.376 ( -19.816 8.531 3.400) 21.841 8.593 ( -0.379 -7.930 -5.454) 9.632 8.593 ( -0.379 7.930 -5.454) 9.632 8.670 ( -6.303 -7.277 -0.726) 9.654 8.670 ( -6.303 7.277 -0.726) 9.654 9.748 ( 1.248 -3.748 25.558) 25.862 9.748 ( 1.248 3.748 25.558) 25.862 9.873 ( -9.288 -2.860 23.591) 25.515 9.873 ( -9.288 2.860 23.591) 25.514 10.389 ( 6.611 -0.801 16.658) 17.940 10.389 ( 6.611 0.801 16.658) 17.940 10.554 ( -9.014 -3.823 15.425) 18.270 10.554 ( -9.014 3.823 15.425) 18.270 10.712 ( 7.879 -6.757 -13.356) 16.915 10.712 ( 7.879 6.757 -13.356) 16.915 10.901 ( -9.714 -2.042 -18.594) 21.077 10.901 ( -9.714 2.043 -18.594) 21.078 11.001 ( 2.694 -10.489 -9.816) 14.616 11.001 ( 2.694 10.489 -9.816) 14.616 11.069 ( -2.946 -10.015 -10.918) 15.105 11.069 ( -2.946 10.015 -10.918) 15.105 12.282 ( 6.717 -6.871 -8.416) 12.773 12.282 ( 6.717 6.871 -8.416) 12.773 12.332 ( 2.010 -5.881 -5.053) 8.010 12.332 ( 2.010 5.881 -5.053) 8.010 12.860 ( 11.266 -5.131 2.465) 12.622 12.860 ( 11.266 5.131 2.465) 12.622 12.977 ( 4.536 -8.734 -3.189) 10.345 12.977 ( 4.536 8.734 -3.189) 10.345 13.017 ( 6.943 -1.884 -0.969) 7.259 13.017 ( 6.943 1.884 -0.969) 7.259 13.132 ( -2.094 -3.741 -3.785) 5.719 13.132 ( -2.094 3.741 -3.785) 5.719 13.340 ( -3.766 -1.271 0.540) 4.012 13.340 ( -3.766 1.271 0.540) 4.012 13.465 ( -12.202 -3.784 -3.620) 13.278 13.465 ( -12.202 3.784 -3.620) 13.278 14.428 ( 0.485 -3.766 2.619) 4.613 14.428 ( 0.485 3.766 2.619) 4.613 14.455 ( -2.297 -3.086 0.300) 3.859 14.455 ( -2.297 3.086 0.300) 3.859 15.971 ( 3.523 -1.177 -3.782) 5.301 15.971 ( 3.523 1.177 -3.782) 5.301 16.032 ( -2.372 -0.924 -2.697) 3.709 16.032 ( -2.372 0.924 -2.697) 3.709 16.652 ( 13.484 -8.444 7.486) 17.583 16.652 ( 13.484 8.444 7.486) 17.583 16.824 ( -1.093 -8.377 -6.859) 10.882 16.824 ( -1.093 8.377 -6.859) 10.882 17.881 ( 3.157 -3.494 -3.661) 5.964 17.881 ( 3.157 3.494 -3.661) 5.964 18.141 ( -19.849 -5.683 -7.170) 21.856 18.141 ( -19.849 5.683 -7.170) 21.856 20.020 ( 14.594 -0.324 6.245) 15.877 20.020 ( 14.594 0.324 6.245) 15.877 20.239 ( -5.383 -0.873 1.715) 5.716 20.239 ( -5.383 0.873 1.715) 5.716 21.811 ( 1.350 -15.209 -0.071) 15.269 21.811 ( 1.350 15.209 -0.071) 15.269 21.946 ( -10.386 -14.964 -1.578) 18.283 21.946 ( -10.386 14.964 -1.578) 18.283 22.808 ( 3.822 -1.004 2.518) 4.685 22.808 ( 3.822 1.004 2.518) 4.685 22.862 ( -1.627 -1.450 -2.205) 3.100 22.862 ( -1.627 1.450 -2.205) 3.100 24.663 ( 5.234 -0.876 3.363) 6.283 24.663 ( 5.234 0.876 3.363) 6.283 24.782 ( -6.254 -1.597 2.289) 6.849 24.782 ( -6.254 1.597 2.289) 6.849 25.131 ( 4.827 -3.292 2.714) 6.442 25.131 ( 4.827 3.292 2.714) 6.442 25.168 ( 1.827 -2.082 0.839) 2.894 25.168 ( 1.827 2.082 0.839) 2.894 25.334 ( 5.151 -6.853 -0.532) 8.589 25.334 ( 5.151 6.853 -0.532) 8.589 25.412 ( -1.181 -7.172 -5.020) 8.834 25.412 ( -1.181 7.172 -5.020) 8.834 25.939 ( -0.295 -3.555 2.936) 4.620 25.939 ( -0.295 3.555 2.936) 4.620 26.003 ( -6.157 -5.154 -1.305) 8.135 26.003 ( -6.157 5.154 -1.305) 8.135 28.022 ( 6.415 -3.360 7.866) 10.692 28.022 ( 6.415 3.360 7.866) 10.692 28.146 ( -3.006 -3.138 -1.386) 4.561 28.146 ( -3.006 3.138 -1.386) 4.561 28.363 ( 3.059 -9.192 3.702) 10.371 28.363 ( 3.059 9.192 3.702) 10.371 28.490 ( -6.938 -9.101 -3.942) 12.104 28.490 ( -6.938 9.101 -3.942) 12.104 35.134 ( 0.601 -0.388 -0.911) 1.158 35.134 ( 0.601 0.388 -0.911) 1.158 35.146 ( -0.462 -0.530 -0.995) 1.218 35.146 ( -0.462 0.530 -0.995) 1.218 35.385 ( 1.659 -6.108 1.608) 6.530 35.385 ( 1.659 6.108 1.608) 6.530 35.425 ( -2.245 -6.740 -0.893) 7.160 35.425 ( -2.245 6.740 -0.893) 7.160 36.271 ( 2.513 -0.795 2.183) 3.423 36.271 ( 2.513 0.795 2.183) 3.423 36.294 ( 0.209 -0.799 -0.190) 0.848 36.294 ( 0.209 0.799 -0.190) 0.848 37.750 ( 2.417 -10.697 1.177) 11.030 37.750 ( 2.417 10.697 1.177) 11.030 37.824 ( -4.745 -9.930 -5.805) 12.443 37.824 ( -4.745 9.930 -5.805) 12.443 38.917 ( 5.285 -1.336 -1.803) 5.742 38.917 ( 5.285 1.336 -1.803) 5.742 39.021 ( -4.715 -1.480 -1.984) 5.325 39.021 ( -4.715 1.480 -1.984) 5.325 =================== 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 3/31680 10.0 1061.817 862.455 846.092 0.000 0.000 0.000 3/31680 20.0 171.831 181.913 154.745 0.000 0.000 0.000 3/31680 30.0 58.680 62.440 56.304 0.000 0.000 -0.000 3/31680 40.0 31.602 33.601 32.727 0.000 0.000 -0.000 3/31680 50.0 21.575 22.779 23.819 0.000 0.000 -0.000 3/31680 60.0 16.848 17.476 19.284 0.000 0.000 -0.000 3/31680 70.0 14.264 14.420 16.549 0.000 0.000 -0.000 3/31680 80.0 12.677 12.460 14.714 0.000 0.000 -0.000 3/31680 90.0 11.595 11.102 13.388 0.000 0.000 -0.000 3/31680 100.0 10.787 10.100 12.371 0.000 0.000 -0.000 3/31680 110.0 10.139 9.324 11.552 0.000 0.000 -0.000 3/31680 120.0 9.591 8.697 10.867 0.000 0.000 -0.000 3/31680 130.0 9.111 8.173 10.276 0.000 0.000 -0.000 3/31680 140.0 8.681 7.725 9.756 0.000 0.000 -0.000 3/31680 150.0 8.290 7.332 9.290 0.000 0.000 -0.000 3/31680 160.0 7.931 6.983 8.868 0.000 0.000 -0.000 3/31680 170.0 7.600 6.669 8.481 0.000 0.000 -0.000 3/31680 180.0 7.293 6.385 8.126 0.000 0.000 -0.000 3/31680 190.0 7.007 6.125 7.798 0.000 0.000 -0.000 3/31680 200.0 6.742 5.887 7.494 0.000 0.000 -0.000 3/31680 210.0 6.493 5.667 7.211 0.000 0.000 -0.000 3/31680 220.0 6.262 5.463 6.948 0.000 0.000 -0.000 3/31680 230.0 6.044 5.274 6.701 0.000 0.000 -0.000 3/31680 240.0 5.841 5.098 6.471 0.000 0.000 -0.000 3/31680 250.0 5.650 4.933 6.255 0.000 0.000 -0.000 3/31680 260.0 5.470 4.779 6.053 0.000 0.000 -0.000 3/31680 270.0 5.301 4.635 5.862 0.000 0.000 -0.000 3/31680 280.0 5.142 4.499 5.683 0.000 0.000 -0.000 3/31680 290.0 4.991 4.371 5.513 0.000 0.000 -0.000 3/31680 300.0 4.849 4.250 5.354 0.000 0.000 -0.000 3/31680 310.0 4.715 4.136 5.203 0.000 0.000 -0.000 3/31680 320.0 4.587 4.028 5.060 0.000 0.000 -0.000 3/31680 330.0 4.466 3.926 4.924 0.000 0.000 -0.000 3/31680 340.0 4.352 3.828 4.796 0.000 0.000 -0.000 3/31680 350.0 4.242 3.736 4.673 0.000 0.000 -0.000 3/31680 360.0 4.139 3.648 4.557 0.000 0.000 -0.000 3/31680 370.0 4.040 3.564 4.446 0.000 0.000 -0.000 3/31680 380.0 3.945 3.483 4.341 0.000 0.000 -0.000 3/31680 390.0 3.855 3.407 4.240 0.000 0.000 -0.000 3/31680 400.0 3.769 3.333 4.144 0.000 0.000 -0.000 3/31680 410.0 3.686 3.263 4.052 0.000 0.000 -0.000 3/31680 420.0 3.607 3.196 3.964 0.000 0.000 -0.000 3/31680 430.0 3.532 3.131 3.879 0.000 0.000 -0.000 3/31680 440.0 3.459 3.069 3.798 0.000 0.000 -0.000 3/31680 450.0 3.389 3.010 3.720 0.000 0.000 -0.000 3/31680 460.0 3.322 2.952 3.646 0.000 0.000 -0.000 3/31680 470.0 3.258 2.897 3.574 0.000 0.000 -0.000 3/31680 480.0 3.196 2.844 3.505 0.000 0.000 -0.000 3/31680 490.0 3.136 2.792 3.439 0.000 0.000 -0.000 3/31680 500.0 3.079 2.743 3.375 0.000 0.000 -0.000 3/31680 510.0 3.023 2.695 3.313 0.000 0.000 -0.000 3/31680 520.0 2.970 2.649 3.254 0.000 0.000 -0.000 3/31680 530.0 2.918 2.604 3.196 0.000 0.000 -0.000 3/31680 540.0 2.868 2.561 3.141 0.000 0.000 -0.000 3/31680 550.0 2.820 2.519 3.087 0.000 0.000 -0.000 3/31680 560.0 2.773 2.479 3.035 0.000 0.000 -0.000 3/31680 570.0 2.728 2.440 2.985 0.000 0.000 -0.000 3/31680 580.0 2.684 2.402 2.937 0.000 0.000 -0.000 3/31680 590.0 2.642 2.365 2.890 0.000 0.000 -0.000 3/31680 600.0 2.600 2.329 2.844 0.000 0.000 -0.000 3/31680 610.0 2.561 2.294 2.800 0.000 0.000 -0.000 3/31680 620.0 2.522 2.261 2.758 0.000 0.000 -0.000 3/31680 630.0 2.484 2.228 2.716 0.000 0.000 -0.000 3/31680 640.0 2.448 2.196 2.676 0.000 0.000 -0.000 3/31680 650.0 2.413 2.165 2.637 0.000 0.000 -0.000 3/31680 660.0 2.378 2.135 2.599 0.000 0.000 -0.000 3/31680 670.0 2.345 2.106 2.562 0.000 0.000 -0.000 3/31680 680.0 2.312 2.077 2.526 0.000 0.000 -0.000 3/31680 690.0 2.281 2.049 2.491 0.000 0.000 -0.000 3/31680 700.0 2.250 2.022 2.457 0.000 0.000 -0.000 3/31680 710.0 2.220 1.996 2.424 0.000 0.000 -0.000 3/31680 720.0 2.191 1.970 2.392 0.000 0.000 -0.000 3/31680 730.0 2.162 1.945 2.360 0.000 0.000 -0.000 3/31680 740.0 2.134 1.921 2.330 0.000 0.000 -0.000 3/31680 750.0 2.107 1.897 2.300 0.000 0.000 -0.000 3/31680 760.0 2.081 1.874 2.271 0.000 0.000 -0.000 3/31680 770.0 2.055 1.851 2.242 0.000 0.000 -0.000 3/31680 780.0 2.030 1.829 2.215 0.000 0.000 -0.000 3/31680 790.0 2.006 1.807 2.188 0.000 0.000 -0.000 3/31680 800.0 1.982 1.786 2.161 0.000 0.000 -0.000 3/31680 810.0 1.958 1.765 2.136 0.000 0.000 -0.000 3/31680 820.0 1.935 1.745 2.111 0.000 0.000 -0.000 3/31680 830.0 1.913 1.725 2.086 0.000 0.000 -0.000 3/31680 840.0 1.891 1.706 2.062 0.000 0.000 -0.000 3/31680 850.0 1.870 1.687 2.039 0.000 0.000 -0.000 3/31680 860.0 1.849 1.669 2.016 0.000 0.000 -0.000 3/31680 870.0 1.829 1.650 1.993 0.000 0.000 -0.000 3/31680 880.0 1.809 1.633 1.971 0.000 0.000 -0.000 3/31680 890.0 1.789 1.615 1.950 0.000 0.000 -0.000 3/31680 900.0 1.770 1.598 1.929 0.000 0.000 -0.000 3/31680 910.0 1.751 1.582 1.908 0.000 0.000 -0.000 3/31680 920.0 1.733 1.565 1.888 0.000 0.000 -0.000 3/31680 930.0 1.715 1.549 1.868 0.000 0.000 -0.000 3/31680 940.0 1.697 1.534 1.849 0.000 0.000 -0.000 3/31680 950.0 1.680 1.518 1.830 0.000 0.000 -0.000 3/31680 960.0 1.663 1.503 1.812 0.000 0.000 -0.000 3/31680 970.0 1.647 1.489 1.793 0.000 0.000 -0.000 3/31680 980.0 1.630 1.474 1.776 0.000 0.000 -0.000 3/31680 990.0 1.614 1.460 1.758 0.000 0.000 -0.000 3/31680 1000.0 1.599 1.446 1.741 0.000 0.000 -0.000 3/31680 Thermal conductivity related properties were written into "kappa-m5411.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 10:10:40]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|