----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:43:04]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.353013400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.824883970000000 Atomic positions (fractional): *1 O 0.35189989362410 0.45667892151879 0.22669378787380 15.999 2 O 0.14810010637591 0.54332107848121 0.72669378787380 15.999 3 O 0.64810010637590 0.95667892151879 0.77330621212620 15.999 4 O 0.85189989362410 0.04332107848121 0.27330621212620 15.999 5 O 0.64810010637590 0.54332107848121 0.77330621212620 15.999 6 O 0.85189989362410 0.45667892151879 0.27330621212620 15.999 7 O 0.35189989362410 0.04332107848121 0.22669378787380 15.999 8 O 0.14810010637591 0.95667892151879 0.72669378787380 15.999 *9 O 0.94751339764323 0.75000000000000 0.74603770612311 15.999 10 O 0.55248660235677 0.25000000000000 0.24603770612311 15.999 11 O 0.05248660235677 0.25000000000000 0.25396229387689 15.999 12 O 0.44751339764323 0.75000000000000 0.75396229387689 15.999 *13 O 0.07774199195420 0.75000000000000 0.24919769418161 15.999 14 O 0.42225800804580 0.25000000000000 0.74919769418161 15.999 15 O 0.92225800804580 0.25000000000000 0.75080230581839 15.999 16 O 0.57774199195420 0.75000000000000 0.25080230581839 15.999 *17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 *21 Si 0.41881132637544 0.25000000000000 0.08680500522881 28.085 22 Si 0.91881132637544 0.25000000000000 0.41319499477119 28.085 23 Si 0.58118867362456 0.75000000000000 0.91319499477119 28.085 24 Si 0.08118867362456 0.75000000000000 0.58680500522881 28.085 *25 Ca 0.27622127307126 0.75000000000000 0.01981370569509 40.078 26 Ca 0.72377872692874 0.25000000000000 0.98018629430491 40.078 27 Ca 0.77622127307126 0.75000000000000 0.48018629430491 40.078 28 Ca 0.22377872692874 0.25000000000000 0.51981370569509 40.078 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.353013400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.824883970000000 Atomic positions (fractional): *1 O 0.35189989362410 0.45667892151879 0.22669378787380 15.999 > 1 2 O 0.14810010637591 0.54332107848121 0.72669378787380 15.999 > 2 3 O 0.64810010637590 0.95667892151879 0.77330621212620 15.999 > 3 4 O 0.85189989362410 0.04332107848121 0.27330621212620 15.999 > 4 5 O 0.64810010637590 0.54332107848121 0.77330621212620 15.999 > 5 6 O 0.85189989362410 0.45667892151879 0.27330621212620 15.999 > 6 7 O 0.35189989362410 0.04332107848121 0.22669378787380 15.999 > 7 8 O 0.14810010637591 0.95667892151879 0.72669378787380 15.999 > 8 *9 O 0.94751339764323 0.75000000000000 0.74603770612311 15.999 > 9 10 O 0.55248660235677 0.25000000000000 0.24603770612311 15.999 > 10 11 O 0.05248660235677 0.25000000000000 0.25396229387689 15.999 > 11 12 O 0.44751339764323 0.75000000000000 0.75396229387689 15.999 > 12 *13 O 0.07774199195420 0.75000000000000 0.24919769418161 15.999 > 13 14 O 0.42225800804580 0.25000000000000 0.74919769418161 15.999 > 14 15 O 0.92225800804580 0.25000000000000 0.75080230581839 15.999 > 15 16 O 0.57774199195420 0.75000000000000 0.25080230581839 15.999 > 16 *17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 17 18 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 18 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 19 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 > 20 *21 Si 0.41881132637544 0.25000000000000 0.08680500522881 28.085 > 21 22 Si 0.91881132637544 0.25000000000000 0.41319499477119 28.085 > 22 23 Si 0.58118867362456 0.75000000000000 0.91319499477119 28.085 > 23 24 Si 0.08118867362456 0.75000000000000 0.58680500522881 28.085 > 24 *25 Ca 0.27622127307126 0.75000000000000 0.01981370569509 40.078 > 25 26 Ca 0.72377872692874 0.25000000000000 0.98018629430491 40.078 > 26 27 Ca 0.77622127307126 0.75000000000000 0.48018629430491 40.078 > 27 28 Ca 0.22377872692874 0.25000000000000 0.51981370569509 40.078 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.706026800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649767940000000 Atomic positions (fractional): *1 O 0.35189989362410 0.22833946075939 0.11334689393690 15.999 > 1 2 O 0.35189989362410 0.72833946075939 0.11334689393690 15.999 > 1 3 O 0.35189989362410 0.22833946075939 0.61334689393690 15.999 > 1 4 O 0.35189989362410 0.72833946075939 0.61334689393690 15.999 > 1 5 O 0.14810010637591 0.27166053924061 0.36334689393690 15.999 > 2 6 O 0.14810010637591 0.77166053924061 0.36334689393690 15.999 > 2 7 O 0.14810010637591 0.27166053924061 0.86334689393690 15.999 > 2 8 O 0.14810010637591 0.77166053924061 0.86334689393690 15.999 > 2 9 O 0.64810010637590 0.47833946075939 0.38665310606310 15.999 > 3 10 O 0.64810010637590 0.97833946075939 0.38665310606310 15.999 > 3 11 O 0.64810010637590 0.47833946075939 0.88665310606310 15.999 > 3 12 O 0.64810010637590 0.97833946075939 0.88665310606310 15.999 > 3 13 O 0.85189989362410 0.02166053924061 0.13665310606310 15.999 > 4 14 O 0.85189989362410 0.52166053924061 0.13665310606310 15.999 > 4 15 O 0.85189989362410 0.02166053924061 0.63665310606310 15.999 > 4 16 O 0.85189989362410 0.52166053924061 0.63665310606310 15.999 > 4 17 O 0.64810010637590 0.27166053924061 0.38665310606310 15.999 > 5 18 O 0.64810010637590 0.77166053924061 0.38665310606310 15.999 > 5 19 O 0.64810010637590 0.27166053924061 0.88665310606310 15.999 > 5 20 O 0.64810010637590 0.77166053924061 0.88665310606310 15.999 > 5 21 O 0.85189989362410 0.22833946075939 0.13665310606310 15.999 > 6 22 O 0.85189989362410 0.72833946075939 0.13665310606310 15.999 > 6 23 O 0.85189989362410 0.22833946075939 0.63665310606310 15.999 > 6 24 O 0.85189989362410 0.72833946075939 0.63665310606310 15.999 > 6 25 O 0.35189989362410 0.02166053924061 0.11334689393690 15.999 > 7 26 O 0.35189989362410 0.52166053924061 0.11334689393690 15.999 > 7 27 O 0.35189989362410 0.02166053924061 0.61334689393690 15.999 > 7 28 O 0.35189989362410 0.52166053924061 0.61334689393690 15.999 > 7 29 O 0.14810010637591 0.47833946075939 0.36334689393690 15.999 > 8 30 O 0.14810010637591 0.97833946075939 0.36334689393690 15.999 > 8 31 O 0.14810010637591 0.47833946075939 0.86334689393690 15.999 > 8 32 O 0.14810010637591 0.97833946075939 0.86334689393690 15.999 > 8 *33 O 0.94751339764323 0.37500000000000 0.37301885306155 15.999 > 9 34 O 0.94751339764323 0.87500000000000 0.37301885306155 15.999 > 9 35 O 0.94751339764323 0.37500000000000 0.87301885306155 15.999 > 9 36 O 0.94751339764323 0.87500000000000 0.87301885306155 15.999 > 9 37 O 0.55248660235677 0.12500000000000 0.12301885306155 15.999 > 10 38 O 0.55248660235677 0.62500000000000 0.12301885306155 15.999 > 10 39 O 0.55248660235677 0.12500000000000 0.62301885306155 15.999 > 10 40 O 0.55248660235677 0.62500000000000 0.62301885306155 15.999 > 10 41 O 0.05248660235677 0.12500000000000 0.12698114693845 15.999 > 11 42 O 0.05248660235677 0.62500000000000 0.12698114693845 15.999 > 11 43 O 0.05248660235677 0.12500000000000 0.62698114693845 15.999 > 11 44 O 0.05248660235677 0.62500000000000 0.62698114693845 15.999 > 11 45 O 0.44751339764323 0.37500000000000 0.37698114693845 15.999 > 12 46 O 0.44751339764323 0.87500000000000 0.37698114693845 15.999 > 12 47 O 0.44751339764323 0.37500000000000 0.87698114693845 15.999 > 12 48 O 0.44751339764323 0.87500000000000 0.87698114693845 15.999 > 12 *49 O 0.07774199195420 0.37500000000000 0.12459884709080 15.999 > 13 50 O 0.07774199195420 0.87500000000000 0.12459884709080 15.999 > 13 51 O 0.07774199195420 0.37500000000000 0.62459884709080 15.999 > 13 52 O 0.07774199195420 0.87500000000000 0.62459884709080 15.999 > 13 53 O 0.42225800804580 0.12500000000000 0.37459884709080 15.999 > 14 54 O 0.42225800804580 0.62500000000000 0.37459884709080 15.999 > 14 55 O 0.42225800804580 0.12500000000000 0.87459884709080 15.999 > 14 56 O 0.42225800804580 0.62500000000000 0.87459884709080 15.999 > 14 57 O 0.92225800804580 0.12500000000000 0.37540115290920 15.999 > 15 58 O 0.92225800804580 0.62500000000000 0.37540115290920 15.999 > 15 59 O 0.92225800804580 0.12500000000000 0.87540115290920 15.999 > 15 60 O 0.92225800804580 0.62500000000000 0.87540115290920 15.999 > 15 61 O 0.57774199195420 0.37500000000000 0.12540115290920 15.999 > 16 62 O 0.57774199195420 0.87500000000000 0.12540115290920 15.999 > 16 63 O 0.57774199195420 0.37500000000000 0.62540115290920 15.999 > 16 64 O 0.57774199195420 0.87500000000000 0.62540115290920 15.999 > 16 *65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 17 66 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 17 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 17 68 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 17 69 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 18 70 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 18 71 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 18 72 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 18 73 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 19 74 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 19 75 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 19 76 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 19 77 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 20 78 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 20 79 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 20 80 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 20 *81 Si 0.41881132637544 0.12500000000000 0.04340250261440 28.085 > 21 82 Si 0.41881132637544 0.62500000000000 0.04340250261440 28.085 > 21 83 Si 0.41881132637544 0.12500000000000 0.54340250261440 28.085 > 21 84 Si 0.41881132637544 0.62500000000000 0.54340250261440 28.085 > 21 85 Si 0.91881132637544 0.12500000000000 0.20659749738560 28.085 > 22 86 Si 0.91881132637544 0.62500000000000 0.20659749738560 28.085 > 22 87 Si 0.91881132637544 0.12500000000000 0.70659749738560 28.085 > 22 88 Si 0.91881132637544 0.62500000000000 0.70659749738560 28.085 > 22 89 Si 0.58118867362456 0.37500000000000 0.45659749738560 28.085 > 23 90 Si 0.58118867362456 0.87500000000000 0.45659749738560 28.085 > 23 91 Si 0.58118867362456 0.37500000000000 0.95659749738560 28.085 > 23 92 Si 0.58118867362456 0.87500000000000 0.95659749738560 28.085 > 23 93 Si 0.08118867362456 0.37500000000000 0.29340250261440 28.085 > 24 94 Si 0.08118867362456 0.87500000000000 0.29340250261440 28.085 > 24 95 Si 0.08118867362456 0.37500000000000 0.79340250261440 28.085 > 24 96 Si 0.08118867362456 0.87500000000000 0.79340250261440 28.085 > 24 *97 Ca 0.27622127307126 0.37500000000000 0.00990685284755 40.078 > 25 98 Ca 0.27622127307126 0.87500000000000 0.00990685284755 40.078 > 25 99 Ca 0.27622127307126 0.37500000000000 0.50990685284755 40.078 > 25 100 Ca 0.27622127307126 0.87500000000000 0.50990685284755 40.078 > 25 101 Ca 0.72377872692874 0.12500000000000 0.49009314715245 40.078 > 26 102 Ca 0.72377872692874 0.62500000000000 0.49009314715245 40.078 > 26 103 Ca 0.72377872692874 0.12500000000000 0.99009314715245 40.078 > 26 104 Ca 0.72377872692874 0.62500000000000 0.99009314715245 40.078 > 26 105 Ca 0.77622127307126 0.37500000000000 0.24009314715245 40.078 > 27 106 Ca 0.77622127307126 0.87500000000000 0.24009314715245 40.078 > 27 107 Ca 0.77622127307126 0.37500000000000 0.74009314715245 40.078 > 27 108 Ca 0.77622127307126 0.87500000000000 0.74009314715245 40.078 > 27 109 Ca 0.22377872692874 0.12500000000000 0.25990685284755 40.078 > 28 110 Ca 0.22377872692874 0.62500000000000 0.25990685284755 40.078 > 28 111 Ca 0.22377872692874 0.12500000000000 0.75990685284755 40.078 > 28 112 Ca 0.22377872692874 0.62500000000000 0.75990685284755 40.078 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9473799 0.0000000 0.0000000 0.0000000 2.9527811 0.0000000 0.0000000 0.0000000 2.9385636 -------------------------- Born effective charges -------------------------- 1 O -1.7051804 0.2697372 0.1232373 0.2709124 -2.1233538 0.0051497 0.0958449 0.0180806 -1.6243887 2 O -1.7051804 0.2697372 -0.1232373 0.2709124 -2.1233538 -0.0051497 -0.0958449 -0.0180806 -1.6243887 3 O -1.7051804 -0.2697372 0.1232373 -0.2709124 -2.1233538 -0.0051497 0.0958449 -0.0180806 -1.6243887 4 O -1.7051804 -0.2697372 -0.1232373 -0.2709124 -2.1233538 0.0051497 -0.0958449 0.0180806 -1.6243887 5 O -1.7051804 0.2697372 0.1232373 0.2709124 -2.1233538 0.0051497 0.0958449 0.0180806 -1.6243887 6 O -1.7051804 0.2697372 -0.1232373 0.2709124 -2.1233538 -0.0051497 -0.0958449 -0.0180806 -1.6243887 7 O -1.7051804 -0.2697372 0.1232373 -0.2709124 -2.1233538 -0.0051497 0.0958449 -0.0180806 -1.6243887 8 O -1.7051804 -0.2697372 -0.1232373 -0.2709124 -2.1233538 0.0051497 -0.0958449 0.0180806 -1.6243887 9 O -2.1458635 0.0000000 0.0662362 0.0000000 -1.5491116 0.0000000 0.0403384 0.0000000 -1.6844477 10 O -2.1458635 0.0000000 -0.0662362 0.0000000 -1.5491116 0.0000000 -0.0403384 0.0000000 -1.6844477 11 O -2.1458635 0.0000000 0.0662362 0.0000000 -1.5491116 0.0000000 0.0403384 0.0000000 -1.6844477 12 O -2.1458635 0.0000000 -0.0662362 0.0000000 -1.5491116 0.0000000 -0.0403384 0.0000000 -1.6844477 13 O -1.4459166 0.0000000 0.0216245 0.0000000 -1.4985478 0.0000000 0.0049201 0.0000000 -2.3944096 14 O -1.4459166 0.0000000 -0.0216245 0.0000000 -1.4985478 0.0000000 -0.0049201 0.0000000 -2.3944096 15 O -1.4459166 0.0000000 0.0216245 0.0000000 -1.4985478 0.0000000 0.0049201 0.0000000 -2.3944096 16 O -1.4459166 0.0000000 -0.0216245 0.0000000 -1.4985478 0.0000000 -0.0049201 0.0000000 -2.3944096 17 Mg 1.7167158 -0.3013756 -0.1064435 -0.2675931 2.0672279 0.1345906 -0.0343095 0.0283316 2.2497537 18 Mg 1.7167158 0.3013756 -0.1064435 0.2675931 2.0672279 -0.1345906 -0.0343095 -0.0283316 2.2497537 19 Mg 1.7167158 -0.3013756 0.1064435 -0.2675931 2.0672279 -0.1345906 0.0343095 -0.0283316 2.2497537 20 Mg 1.7167158 0.3013756 0.1064435 0.2675931 2.0672279 0.1345906 0.0343095 0.0283316 2.2497537 21 Si 2.5680962 0.0000000 -0.0355849 0.0000000 2.8322420 0.0000000 -0.0364419 0.0000000 2.9749869 22 Si 2.5680962 0.0000000 0.0355849 0.0000000 2.8322420 0.0000000 0.0364419 0.0000000 2.9749869 23 Si 2.5680962 0.0000000 -0.0355849 0.0000000 2.8322420 0.0000000 -0.0364419 0.0000000 2.9749869 24 Si 2.5680962 0.0000000 0.0355849 0.0000000 2.8322420 0.0000000 0.0364419 0.0000000 2.9749869 25 Ca 2.7173289 0.0000000 0.0868097 0.0000000 2.3948970 0.0000000 0.0579321 0.0000000 2.1028942 26 Ca 2.7173289 0.0000000 0.0868097 0.0000000 2.3948970 0.0000000 0.0579321 0.0000000 2.1028942 27 Ca 2.7173289 0.0000000 -0.0868097 0.0000000 2.3948970 0.0000000 -0.0579321 0.0000000 2.1028942 28 Ca 2.7173289 0.0000000 -0.0868097 0.0000000 2.3948970 0.0000000 -0.0579321 0.0000000 2.1028942 ---------------------------------------------------------------------------- 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: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.240 Solver_block: 200 / 480 - Time: 3.199 Solver_block: 300 / 480 - Time: 3.202 Solver_block: 400 / 480 - Time: 3.185 Solver_block: 480 / 480 - Time: 2.724 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.786 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1910 Number of blocks in projector: 1910 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: 458 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 330 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 264 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 264 Use standard eigh solver. Tree of FC basis block matrices: - (1910, 1872), data: False |-- (264, 258), data: True |-- (264, 258), data: True |-- (264, 258), data: True |-- (330, 326), data: True |-- (330, 326), data: True |-- (458, 446), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:43:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:43:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.353013400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.824883970000000 Atomic positions (fractional): 1 O 0.35189989362410 0.45667892151879 0.22669378787380 15.999 2 O 0.14810010637591 0.54332107848121 0.72669378787380 15.999 3 O 0.64810010637590 0.95667892151879 0.77330621212620 15.999 4 O 0.85189989362410 0.04332107848121 0.27330621212620 15.999 5 O 0.64810010637590 0.54332107848121 0.77330621212620 15.999 6 O 0.85189989362410 0.45667892151879 0.27330621212620 15.999 7 O 0.35189989362410 0.04332107848121 0.22669378787380 15.999 8 O 0.14810010637591 0.95667892151879 0.72669378787380 15.999 9 O 0.94751339764323 0.75000000000000 0.74603770612311 15.999 10 O 0.55248660235677 0.25000000000000 0.24603770612311 15.999 11 O 0.05248660235677 0.25000000000000 0.25396229387689 15.999 12 O 0.44751339764323 0.75000000000000 0.75396229387689 15.999 13 O 0.07774199195420 0.75000000000000 0.24919769418161 15.999 14 O 0.42225800804580 0.25000000000000 0.74919769418161 15.999 15 O 0.92225800804580 0.25000000000000 0.75080230581839 15.999 16 O 0.57774199195420 0.75000000000000 0.25080230581839 15.999 17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 21 Si 0.41881132637544 0.25000000000000 0.08680500522881 28.085 22 Si 0.91881132637544 0.25000000000000 0.41319499477119 28.085 23 Si 0.58118867362456 0.75000000000000 0.91319499477119 28.085 24 Si 0.08118867362456 0.75000000000000 0.58680500522881 28.085 25 Ca 0.27622127307126 0.75000000000000 0.01981370569509 40.078 26 Ca 0.72377872692874 0.25000000000000 0.98018629430491 40.078 27 Ca 0.77622127307126 0.75000000000000 0.48018629430491 40.078 28 Ca 0.22377872692874 0.25000000000000 0.51981370569509 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.706026800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649767940000000 Atomic positions (fractional): 1 O 0.35189989362410 0.22833946075939 0.11334689393690 15.999 > 1 2 O 0.35189989362410 0.72833946075939 0.11334689393690 15.999 > 1 3 O 0.35189989362410 0.22833946075939 0.61334689393690 15.999 > 1 4 O 0.35189989362410 0.72833946075939 0.61334689393690 15.999 > 1 5 O 0.14810010637591 0.27166053924061 0.36334689393690 15.999 > 5 6 O 0.14810010637591 0.77166053924061 0.36334689393690 15.999 > 5 7 O 0.14810010637591 0.27166053924061 0.86334689393690 15.999 > 5 8 O 0.14810010637591 0.77166053924061 0.86334689393690 15.999 > 5 9 O 0.64810010637590 0.47833946075939 0.38665310606310 15.999 > 9 10 O 0.64810010637590 0.97833946075939 0.38665310606310 15.999 > 9 11 O 0.64810010637590 0.47833946075939 0.88665310606310 15.999 > 9 12 O 0.64810010637590 0.97833946075939 0.88665310606310 15.999 > 9 13 O 0.85189989362410 0.02166053924061 0.13665310606310 15.999 > 13 14 O 0.85189989362410 0.52166053924061 0.13665310606310 15.999 > 13 15 O 0.85189989362410 0.02166053924061 0.63665310606310 15.999 > 13 16 O 0.85189989362410 0.52166053924061 0.63665310606310 15.999 > 13 17 O 0.64810010637590 0.27166053924061 0.38665310606310 15.999 > 17 18 O 0.64810010637590 0.77166053924061 0.38665310606310 15.999 > 17 19 O 0.64810010637590 0.27166053924061 0.88665310606310 15.999 > 17 20 O 0.64810010637590 0.77166053924061 0.88665310606310 15.999 > 17 21 O 0.85189989362410 0.22833946075939 0.13665310606310 15.999 > 21 22 O 0.85189989362410 0.72833946075939 0.13665310606310 15.999 > 21 23 O 0.85189989362410 0.22833946075939 0.63665310606310 15.999 > 21 24 O 0.85189989362410 0.72833946075939 0.63665310606310 15.999 > 21 25 O 0.35189989362410 0.02166053924061 0.11334689393690 15.999 > 25 26 O 0.35189989362410 0.52166053924061 0.11334689393690 15.999 > 25 27 O 0.35189989362410 0.02166053924061 0.61334689393690 15.999 > 25 28 O 0.35189989362410 0.52166053924061 0.61334689393690 15.999 > 25 29 O 0.14810010637591 0.47833946075939 0.36334689393690 15.999 > 29 30 O 0.14810010637591 0.97833946075939 0.36334689393690 15.999 > 29 31 O 0.14810010637591 0.47833946075939 0.86334689393690 15.999 > 29 32 O 0.14810010637591 0.97833946075939 0.86334689393690 15.999 > 29 33 O 0.94751339764323 0.37500000000000 0.37301885306155 15.999 > 33 34 O 0.94751339764323 0.87500000000000 0.37301885306155 15.999 > 33 35 O 0.94751339764323 0.37500000000000 0.87301885306155 15.999 > 33 36 O 0.94751339764323 0.87500000000000 0.87301885306155 15.999 > 33 37 O 0.55248660235677 0.12500000000000 0.12301885306155 15.999 > 37 38 O 0.55248660235677 0.62500000000000 0.12301885306155 15.999 > 37 39 O 0.55248660235677 0.12500000000000 0.62301885306155 15.999 > 37 40 O 0.55248660235677 0.62500000000000 0.62301885306155 15.999 > 37 41 O 0.05248660235677 0.12500000000000 0.12698114693845 15.999 > 41 42 O 0.05248660235677 0.62500000000000 0.12698114693845 15.999 > 41 43 O 0.05248660235677 0.12500000000000 0.62698114693845 15.999 > 41 44 O 0.05248660235677 0.62500000000000 0.62698114693845 15.999 > 41 45 O 0.44751339764323 0.37500000000000 0.37698114693845 15.999 > 45 46 O 0.44751339764323 0.87500000000000 0.37698114693845 15.999 > 45 47 O 0.44751339764323 0.37500000000000 0.87698114693845 15.999 > 45 48 O 0.44751339764323 0.87500000000000 0.87698114693845 15.999 > 45 49 O 0.07774199195420 0.37500000000000 0.12459884709080 15.999 > 49 50 O 0.07774199195420 0.87500000000000 0.12459884709080 15.999 > 49 51 O 0.07774199195420 0.37500000000000 0.62459884709080 15.999 > 49 52 O 0.07774199195420 0.87500000000000 0.62459884709080 15.999 > 49 53 O 0.42225800804580 0.12500000000000 0.37459884709080 15.999 > 53 54 O 0.42225800804580 0.62500000000000 0.37459884709080 15.999 > 53 55 O 0.42225800804580 0.12500000000000 0.87459884709080 15.999 > 53 56 O 0.42225800804580 0.62500000000000 0.87459884709080 15.999 > 53 57 O 0.92225800804580 0.12500000000000 0.37540115290920 15.999 > 57 58 O 0.92225800804580 0.62500000000000 0.37540115290920 15.999 > 57 59 O 0.92225800804580 0.12500000000000 0.87540115290920 15.999 > 57 60 O 0.92225800804580 0.62500000000000 0.87540115290920 15.999 > 57 61 O 0.57774199195420 0.37500000000000 0.12540115290920 15.999 > 61 62 O 0.57774199195420 0.87500000000000 0.12540115290920 15.999 > 61 63 O 0.57774199195420 0.37500000000000 0.62540115290920 15.999 > 61 64 O 0.57774199195420 0.87500000000000 0.62540115290920 15.999 > 61 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 69 70 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 69 71 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 69 72 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 69 73 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 73 74 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 73 75 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 73 76 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 73 77 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 77 78 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 77 79 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 77 80 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 77 81 Si 0.41881132637544 0.12500000000000 0.04340250261440 28.085 > 81 82 Si 0.41881132637544 0.62500000000000 0.04340250261440 28.085 > 81 83 Si 0.41881132637544 0.12500000000000 0.54340250261440 28.085 > 81 84 Si 0.41881132637544 0.62500000000000 0.54340250261440 28.085 > 81 85 Si 0.91881132637544 0.12500000000000 0.20659749738560 28.085 > 85 86 Si 0.91881132637544 0.62500000000000 0.20659749738560 28.085 > 85 87 Si 0.91881132637544 0.12500000000000 0.70659749738560 28.085 > 85 88 Si 0.91881132637544 0.62500000000000 0.70659749738560 28.085 > 85 89 Si 0.58118867362456 0.37500000000000 0.45659749738560 28.085 > 89 90 Si 0.58118867362456 0.87500000000000 0.45659749738560 28.085 > 89 91 Si 0.58118867362456 0.37500000000000 0.95659749738560 28.085 > 89 92 Si 0.58118867362456 0.87500000000000 0.95659749738560 28.085 > 89 93 Si 0.08118867362456 0.37500000000000 0.29340250261440 28.085 > 93 94 Si 0.08118867362456 0.87500000000000 0.29340250261440 28.085 > 93 95 Si 0.08118867362456 0.37500000000000 0.79340250261440 28.085 > 93 96 Si 0.08118867362456 0.87500000000000 0.79340250261440 28.085 > 93 97 Ca 0.27622127307126 0.37500000000000 0.00990685284755 40.078 > 97 98 Ca 0.27622127307126 0.87500000000000 0.00990685284755 40.078 > 97 99 Ca 0.27622127307126 0.37500000000000 0.50990685284755 40.078 > 97 100 Ca 0.27622127307126 0.87500000000000 0.50990685284755 40.078 > 97 101 Ca 0.72377872692874 0.12500000000000 0.49009314715245 40.078 > 101 102 Ca 0.72377872692874 0.62500000000000 0.49009314715245 40.078 > 101 103 Ca 0.72377872692874 0.12500000000000 0.99009314715245 40.078 > 101 104 Ca 0.72377872692874 0.62500000000000 0.99009314715245 40.078 > 101 105 Ca 0.77622127307126 0.37500000000000 0.24009314715245 40.078 > 105 106 Ca 0.77622127307126 0.87500000000000 0.24009314715245 40.078 > 105 107 Ca 0.77622127307126 0.37500000000000 0.74009314715245 40.078 > 105 108 Ca 0.77622127307126 0.87500000000000 0.74009314715245 40.078 > 105 109 Ca 0.22377872692874 0.12500000000000 0.25990685284755 40.078 > 109 110 Ca 0.22377872692874 0.62500000000000 0.25990685284755 40.078 > 109 111 Ca 0.22377872692874 0.12500000000000 0.75990685284755 40.078 > 109 112 Ca 0.22377872692874 0.62500000000000 0.75990685284755 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9473799 0.0000000 0.0000000 0.0000000 2.9527811 0.0000000 0.0000000 0.0000000 2.9385636 -------------------------- Born effective charges -------------------------- 1 O -1.7051804 0.2697372 0.1232373 0.2709124 -2.1233538 0.0051497 0.0958449 0.0180806 -1.6243887 2 O -1.7051804 0.2697372 -0.1232373 0.2709124 -2.1233538 -0.0051497 -0.0958449 -0.0180806 -1.6243887 3 O -1.7051804 -0.2697372 0.1232373 -0.2709124 -2.1233538 -0.0051497 0.0958449 -0.0180806 -1.6243887 4 O -1.7051804 -0.2697372 -0.1232373 -0.2709124 -2.1233538 0.0051497 -0.0958449 0.0180806 -1.6243887 5 O -1.7051804 0.2697372 0.1232373 0.2709124 -2.1233538 0.0051497 0.0958449 0.0180806 -1.6243887 6 O -1.7051804 0.2697372 -0.1232373 0.2709124 -2.1233538 -0.0051497 -0.0958449 -0.0180806 -1.6243887 7 O -1.7051804 -0.2697372 0.1232373 -0.2709124 -2.1233538 -0.0051497 0.0958449 -0.0180806 -1.6243887 8 O -1.7051804 -0.2697372 -0.1232373 -0.2709124 -2.1233538 0.0051497 -0.0958449 0.0180806 -1.6243887 9 O -2.1458635 0.0000000 0.0662362 0.0000000 -1.5491116 0.0000000 0.0403384 0.0000000 -1.6844477 10 O -2.1458635 0.0000000 -0.0662362 0.0000000 -1.5491116 0.0000000 -0.0403384 0.0000000 -1.6844477 11 O -2.1458635 0.0000000 0.0662362 0.0000000 -1.5491116 0.0000000 0.0403384 0.0000000 -1.6844477 12 O -2.1458635 0.0000000 -0.0662362 0.0000000 -1.5491116 0.0000000 -0.0403384 0.0000000 -1.6844477 13 O -1.4459166 0.0000000 0.0216245 0.0000000 -1.4985478 0.0000000 0.0049201 0.0000000 -2.3944096 14 O -1.4459166 0.0000000 -0.0216245 0.0000000 -1.4985478 0.0000000 -0.0049201 0.0000000 -2.3944096 15 O -1.4459166 0.0000000 0.0216245 0.0000000 -1.4985478 0.0000000 0.0049201 0.0000000 -2.3944096 16 O -1.4459166 0.0000000 -0.0216245 0.0000000 -1.4985478 0.0000000 -0.0049201 0.0000000 -2.3944096 17 Mg 1.7167158 -0.3013756 -0.1064435 -0.2675931 2.0672279 0.1345906 -0.0343095 0.0283316 2.2497537 18 Mg 1.7167158 0.3013756 -0.1064435 0.2675931 2.0672279 -0.1345906 -0.0343095 -0.0283316 2.2497537 19 Mg 1.7167158 -0.3013756 0.1064435 -0.2675931 2.0672279 -0.1345906 0.0343095 -0.0283316 2.2497537 20 Mg 1.7167158 0.3013756 0.1064435 0.2675931 2.0672279 0.1345906 0.0343095 0.0283316 2.2497537 21 Si 2.5680962 0.0000000 -0.0355849 0.0000000 2.8322420 0.0000000 -0.0364419 0.0000000 2.9749869 22 Si 2.5680962 0.0000000 0.0355849 0.0000000 2.8322420 0.0000000 0.0364419 0.0000000 2.9749869 23 Si 2.5680962 0.0000000 -0.0355849 0.0000000 2.8322420 0.0000000 -0.0364419 0.0000000 2.9749869 24 Si 2.5680962 0.0000000 0.0355849 0.0000000 2.8322420 0.0000000 0.0364419 0.0000000 2.9749869 25 Ca 2.7173289 0.0000000 0.0868097 0.0000000 2.3948970 0.0000000 0.0579321 0.0000000 2.1028942 26 Ca 2.7173289 0.0000000 0.0868097 0.0000000 2.3948970 0.0000000 0.0579321 0.0000000 2.1028942 27 Ca 2.7173289 0.0000000 -0.0868097 0.0000000 2.3948970 0.0000000 -0.0579321 0.0000000 2.1028942 28 Ca 2.7173289 0.0000000 -0.0868097 0.0000000 2.3948970 0.0000000 -0.0579321 0.0000000 2.1028942 ---------------------------------------------------------------------------- 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[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000005 (xzx) -0.00000005 (xzx) -0.00000005 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (yx) 0.00000002 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:44:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:44:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.353013400000000 0.000000000000000 c 0.000000000000000 0.000000000000000 4.824883970000000 Atomic positions (fractional): 1 O 0.35189989362410 0.45667892151879 0.22669378787380 15.999 2 O 0.14810010637591 0.54332107848121 0.72669378787380 15.999 3 O 0.64810010637590 0.95667892151879 0.77330621212620 15.999 4 O 0.85189989362410 0.04332107848121 0.27330621212620 15.999 5 O 0.64810010637590 0.54332107848121 0.77330621212620 15.999 6 O 0.85189989362410 0.45667892151879 0.27330621212620 15.999 7 O 0.35189989362410 0.04332107848121 0.22669378787380 15.999 8 O 0.14810010637591 0.95667892151879 0.72669378787380 15.999 9 O 0.94751339764323 0.75000000000000 0.74603770612311 15.999 10 O 0.55248660235677 0.25000000000000 0.24603770612311 15.999 11 O 0.05248660235677 0.25000000000000 0.25396229387689 15.999 12 O 0.44751339764323 0.75000000000000 0.75396229387689 15.999 13 O 0.07774199195420 0.75000000000000 0.24919769418161 15.999 14 O 0.42225800804580 0.25000000000000 0.74919769418161 15.999 15 O 0.92225800804580 0.25000000000000 0.75080230581839 15.999 16 O 0.57774199195420 0.75000000000000 0.25080230581839 15.999 17 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 18 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 19 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 20 Mg 0.50000000000000 0.50000000000000 0.50000000000000 24.305 21 Si 0.41881132637544 0.25000000000000 0.08680500522881 28.085 22 Si 0.91881132637544 0.25000000000000 0.41319499477119 28.085 23 Si 0.58118867362456 0.75000000000000 0.91319499477119 28.085 24 Si 0.08118867362456 0.75000000000000 0.58680500522881 28.085 25 Ca 0.27622127307126 0.75000000000000 0.01981370569509 40.078 26 Ca 0.72377872692874 0.25000000000000 0.98018629430491 40.078 27 Ca 0.77622127307126 0.75000000000000 0.48018629430491 40.078 28 Ca 0.22377872692874 0.25000000000000 0.51981370569509 40.078 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.065337150000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.706026800000000 0.000000000000000 c 0.000000000000000 0.000000000000000 9.649767940000000 Atomic positions (fractional): 1 O 0.35189989362410 0.22833946075939 0.11334689393690 15.999 > 1 2 O 0.35189989362410 0.72833946075939 0.11334689393690 15.999 > 1 3 O 0.35189989362410 0.22833946075939 0.61334689393690 15.999 > 1 4 O 0.35189989362410 0.72833946075939 0.61334689393690 15.999 > 1 5 O 0.14810010637591 0.27166053924061 0.36334689393690 15.999 > 5 6 O 0.14810010637591 0.77166053924061 0.36334689393690 15.999 > 5 7 O 0.14810010637591 0.27166053924061 0.86334689393690 15.999 > 5 8 O 0.14810010637591 0.77166053924061 0.86334689393690 15.999 > 5 9 O 0.64810010637590 0.47833946075939 0.38665310606310 15.999 > 9 10 O 0.64810010637590 0.97833946075939 0.38665310606310 15.999 > 9 11 O 0.64810010637590 0.47833946075939 0.88665310606310 15.999 > 9 12 O 0.64810010637590 0.97833946075939 0.88665310606310 15.999 > 9 13 O 0.85189989362410 0.02166053924061 0.13665310606310 15.999 > 13 14 O 0.85189989362410 0.52166053924061 0.13665310606310 15.999 > 13 15 O 0.85189989362410 0.02166053924061 0.63665310606310 15.999 > 13 16 O 0.85189989362410 0.52166053924061 0.63665310606310 15.999 > 13 17 O 0.64810010637590 0.27166053924061 0.38665310606310 15.999 > 17 18 O 0.64810010637590 0.77166053924061 0.38665310606310 15.999 > 17 19 O 0.64810010637590 0.27166053924061 0.88665310606310 15.999 > 17 20 O 0.64810010637590 0.77166053924061 0.88665310606310 15.999 > 17 21 O 0.85189989362410 0.22833946075939 0.13665310606310 15.999 > 21 22 O 0.85189989362410 0.72833946075939 0.13665310606310 15.999 > 21 23 O 0.85189989362410 0.22833946075939 0.63665310606310 15.999 > 21 24 O 0.85189989362410 0.72833946075939 0.63665310606310 15.999 > 21 25 O 0.35189989362410 0.02166053924061 0.11334689393690 15.999 > 25 26 O 0.35189989362410 0.52166053924061 0.11334689393690 15.999 > 25 27 O 0.35189989362410 0.02166053924061 0.61334689393690 15.999 > 25 28 O 0.35189989362410 0.52166053924061 0.61334689393690 15.999 > 25 29 O 0.14810010637591 0.47833946075939 0.36334689393690 15.999 > 29 30 O 0.14810010637591 0.97833946075939 0.36334689393690 15.999 > 29 31 O 0.14810010637591 0.47833946075939 0.86334689393690 15.999 > 29 32 O 0.14810010637591 0.97833946075939 0.86334689393690 15.999 > 29 33 O 0.94751339764323 0.37500000000000 0.37301885306155 15.999 > 33 34 O 0.94751339764323 0.87500000000000 0.37301885306155 15.999 > 33 35 O 0.94751339764323 0.37500000000000 0.87301885306155 15.999 > 33 36 O 0.94751339764323 0.87500000000000 0.87301885306155 15.999 > 33 37 O 0.55248660235677 0.12500000000000 0.12301885306155 15.999 > 37 38 O 0.55248660235677 0.62500000000000 0.12301885306155 15.999 > 37 39 O 0.55248660235677 0.12500000000000 0.62301885306155 15.999 > 37 40 O 0.55248660235677 0.62500000000000 0.62301885306155 15.999 > 37 41 O 0.05248660235677 0.12500000000000 0.12698114693845 15.999 > 41 42 O 0.05248660235677 0.62500000000000 0.12698114693845 15.999 > 41 43 O 0.05248660235677 0.12500000000000 0.62698114693845 15.999 > 41 44 O 0.05248660235677 0.62500000000000 0.62698114693845 15.999 > 41 45 O 0.44751339764323 0.37500000000000 0.37698114693845 15.999 > 45 46 O 0.44751339764323 0.87500000000000 0.37698114693845 15.999 > 45 47 O 0.44751339764323 0.37500000000000 0.87698114693845 15.999 > 45 48 O 0.44751339764323 0.87500000000000 0.87698114693845 15.999 > 45 49 O 0.07774199195420 0.37500000000000 0.12459884709080 15.999 > 49 50 O 0.07774199195420 0.87500000000000 0.12459884709080 15.999 > 49 51 O 0.07774199195420 0.37500000000000 0.62459884709080 15.999 > 49 52 O 0.07774199195420 0.87500000000000 0.62459884709080 15.999 > 49 53 O 0.42225800804580 0.12500000000000 0.37459884709080 15.999 > 53 54 O 0.42225800804580 0.62500000000000 0.37459884709080 15.999 > 53 55 O 0.42225800804580 0.12500000000000 0.87459884709080 15.999 > 53 56 O 0.42225800804580 0.62500000000000 0.87459884709080 15.999 > 53 57 O 0.92225800804580 0.12500000000000 0.37540115290920 15.999 > 57 58 O 0.92225800804580 0.62500000000000 0.37540115290920 15.999 > 57 59 O 0.92225800804580 0.12500000000000 0.87540115290920 15.999 > 57 60 O 0.92225800804580 0.62500000000000 0.87540115290920 15.999 > 57 61 O 0.57774199195420 0.37500000000000 0.12540115290920 15.999 > 61 62 O 0.57774199195420 0.87500000000000 0.12540115290920 15.999 > 61 63 O 0.57774199195420 0.37500000000000 0.62540115290920 15.999 > 61 64 O 0.57774199195420 0.87500000000000 0.62540115290920 15.999 > 61 65 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 65 66 Mg 0.00000000000000 0.50000000000000 0.00000000000000 24.305 > 65 67 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 65 68 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 65 69 Mg 0.00000000000000 0.25000000000000 0.00000000000000 24.305 > 69 70 Mg 0.00000000000000 0.75000000000000 0.00000000000000 24.305 > 69 71 Mg 0.00000000000000 0.25000000000000 0.50000000000000 24.305 > 69 72 Mg 0.00000000000000 0.75000000000000 0.50000000000000 24.305 > 69 73 Mg 0.50000000000000 0.00000000000000 0.25000000000000 24.305 > 73 74 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 73 75 Mg 0.50000000000000 0.00000000000000 0.75000000000000 24.305 > 73 76 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 73 77 Mg 0.50000000000000 0.25000000000000 0.25000000000000 24.305 > 77 78 Mg 0.50000000000000 0.75000000000000 0.25000000000000 24.305 > 77 79 Mg 0.50000000000000 0.25000000000000 0.75000000000000 24.305 > 77 80 Mg 0.50000000000000 0.75000000000000 0.75000000000000 24.305 > 77 81 Si 0.41881132637544 0.12500000000000 0.04340250261440 28.085 > 81 82 Si 0.41881132637544 0.62500000000000 0.04340250261440 28.085 > 81 83 Si 0.41881132637544 0.12500000000000 0.54340250261440 28.085 > 81 84 Si 0.41881132637544 0.62500000000000 0.54340250261440 28.085 > 81 85 Si 0.91881132637544 0.12500000000000 0.20659749738560 28.085 > 85 86 Si 0.91881132637544 0.62500000000000 0.20659749738560 28.085 > 85 87 Si 0.91881132637544 0.12500000000000 0.70659749738560 28.085 > 85 88 Si 0.91881132637544 0.62500000000000 0.70659749738560 28.085 > 85 89 Si 0.58118867362456 0.37500000000000 0.45659749738560 28.085 > 89 90 Si 0.58118867362456 0.87500000000000 0.45659749738560 28.085 > 89 91 Si 0.58118867362456 0.37500000000000 0.95659749738560 28.085 > 89 92 Si 0.58118867362456 0.87500000000000 0.95659749738560 28.085 > 89 93 Si 0.08118867362456 0.37500000000000 0.29340250261440 28.085 > 93 94 Si 0.08118867362456 0.87500000000000 0.29340250261440 28.085 > 93 95 Si 0.08118867362456 0.37500000000000 0.79340250261440 28.085 > 93 96 Si 0.08118867362456 0.87500000000000 0.79340250261440 28.085 > 93 97 Ca 0.27622127307126 0.37500000000000 0.00990685284755 40.078 > 97 98 Ca 0.27622127307126 0.87500000000000 0.00990685284755 40.078 > 97 99 Ca 0.27622127307126 0.37500000000000 0.50990685284755 40.078 > 97 100 Ca 0.27622127307126 0.87500000000000 0.50990685284755 40.078 > 97 101 Ca 0.72377872692874 0.12500000000000 0.49009314715245 40.078 > 101 102 Ca 0.72377872692874 0.62500000000000 0.49009314715245 40.078 > 101 103 Ca 0.72377872692874 0.12500000000000 0.99009314715245 40.078 > 101 104 Ca 0.72377872692874 0.62500000000000 0.99009314715245 40.078 > 101 105 Ca 0.77622127307126 0.37500000000000 0.24009314715245 40.078 > 105 106 Ca 0.77622127307126 0.87500000000000 0.24009314715245 40.078 > 105 107 Ca 0.77622127307126 0.37500000000000 0.74009314715245 40.078 > 105 108 Ca 0.77622127307126 0.87500000000000 0.74009314715245 40.078 > 105 109 Ca 0.22377872692874 0.12500000000000 0.25990685284755 40.078 > 109 110 Ca 0.22377872692874 0.62500000000000 0.25990685284755 40.078 > 109 111 Ca 0.22377872692874 0.12500000000000 0.75990685284755 40.078 > 109 112 Ca 0.22377872692874 0.62500000000000 0.75990685284755 40.078 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9473799 0.0000000 0.0000000 0.0000000 2.9527811 0.0000000 0.0000000 0.0000000 2.9385636 -------------------------- Born effective charges -------------------------- 1 O -1.7051804 0.2697372 0.1232373 0.2709124 -2.1233538 0.0051497 0.0958449 0.0180806 -1.6243887 2 O -1.7051804 0.2697372 -0.1232373 0.2709124 -2.1233538 -0.0051497 -0.0958449 -0.0180806 -1.6243887 3 O -1.7051804 -0.2697372 0.1232373 -0.2709124 -2.1233538 -0.0051497 0.0958449 -0.0180806 -1.6243887 4 O -1.7051804 -0.2697372 -0.1232373 -0.2709124 -2.1233538 0.0051497 -0.0958449 0.0180806 -1.6243887 5 O -1.7051804 0.2697372 0.1232373 0.2709124 -2.1233538 0.0051497 0.0958449 0.0180806 -1.6243887 6 O -1.7051804 0.2697372 -0.1232373 0.2709124 -2.1233538 -0.0051497 -0.0958449 -0.0180806 -1.6243887 7 O -1.7051804 -0.2697372 0.1232373 -0.2709124 -2.1233538 -0.0051497 0.0958449 -0.0180806 -1.6243887 8 O -1.7051804 -0.2697372 -0.1232373 -0.2709124 -2.1233538 0.0051497 -0.0958449 0.0180806 -1.6243887 9 O -2.1458635 0.0000000 0.0662362 0.0000000 -1.5491116 0.0000000 0.0403384 0.0000000 -1.6844477 10 O -2.1458635 0.0000000 -0.0662362 0.0000000 -1.5491116 0.0000000 -0.0403384 0.0000000 -1.6844477 11 O -2.1458635 0.0000000 0.0662362 0.0000000 -1.5491116 0.0000000 0.0403384 0.0000000 -1.6844477 12 O -2.1458635 0.0000000 -0.0662362 0.0000000 -1.5491116 0.0000000 -0.0403384 0.0000000 -1.6844477 13 O -1.4459166 0.0000000 0.0216245 0.0000000 -1.4985478 0.0000000 0.0049201 0.0000000 -2.3944096 14 O -1.4459166 0.0000000 -0.0216245 0.0000000 -1.4985478 0.0000000 -0.0049201 0.0000000 -2.3944096 15 O -1.4459166 0.0000000 0.0216245 0.0000000 -1.4985478 0.0000000 0.0049201 0.0000000 -2.3944096 16 O -1.4459166 0.0000000 -0.0216245 0.0000000 -1.4985478 0.0000000 -0.0049201 0.0000000 -2.3944096 17 Mg 1.7167158 -0.3013756 -0.1064435 -0.2675931 2.0672279 0.1345906 -0.0343095 0.0283316 2.2497537 18 Mg 1.7167158 0.3013756 -0.1064435 0.2675931 2.0672279 -0.1345906 -0.0343095 -0.0283316 2.2497537 19 Mg 1.7167158 -0.3013756 0.1064435 -0.2675931 2.0672279 -0.1345906 0.0343095 -0.0283316 2.2497537 20 Mg 1.7167158 0.3013756 0.1064435 0.2675931 2.0672279 0.1345906 0.0343095 0.0283316 2.2497537 21 Si 2.5680962 0.0000000 -0.0355849 0.0000000 2.8322420 0.0000000 -0.0364419 0.0000000 2.9749869 22 Si 2.5680962 0.0000000 0.0355849 0.0000000 2.8322420 0.0000000 0.0364419 0.0000000 2.9749869 23 Si 2.5680962 0.0000000 -0.0355849 0.0000000 2.8322420 0.0000000 -0.0364419 0.0000000 2.9749869 24 Si 2.5680962 0.0000000 0.0355849 0.0000000 2.8322420 0.0000000 0.0364419 0.0000000 2.9749869 25 Ca 2.7173289 0.0000000 0.0868097 0.0000000 2.3948970 0.0000000 0.0579321 0.0000000 2.1028942 26 Ca 2.7173289 0.0000000 0.0868097 0.0000000 2.3948970 0.0000000 0.0579321 0.0000000 2.1028942 27 Ca 2.7173289 0.0000000 -0.0868097 0.0000000 2.3948970 0.0000000 -0.0579321 0.0000000 2.1028942 28 Ca 2.7173289 0.0000000 -0.0868097 0.0000000 2.3948970 0.0000000 -0.0579321 0.0000000 2.1028942 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000005 (xzx) -0.00000005 (xzx) -0.00000005 (xxz) 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 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.60, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 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 2.755 ( 0.000 0.000 0.000) 0.000 3.585 ( 0.000 0.000 0.000) 0.000 4.130 ( 0.000 0.000 0.000) 0.000 4.324 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.986 ( 0.000 0.000 0.000) 0.000 5.996 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.207 ( 0.000 0.000 0.000) 0.000 6.334 ( 0.000 0.000 0.000) 0.000 6.359 ( 0.000 0.000 0.000) 0.000 6.911 ( 0.000 0.000 0.000) 0.000 7.089 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.543 ( 0.000 0.000 0.000) 0.000 7.601 ( 0.000 0.000 0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.930 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.021 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.167 ( 0.000 0.000 0.000) 0.000 8.798 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 8.949 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 9.407 ( 0.000 0.000 0.000) 0.000 9.457 ( 0.000 0.000 0.000) 0.000 9.795 ( 0.000 0.000 0.000) 0.000 9.834 ( 0.000 0.000 0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 10.516 ( 0.000 0.000 0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.891 ( 0.000 0.000 0.000) 0.000 11.564 ( 0.000 0.000 0.000) 0.000 11.594 ( 0.000 0.000 0.000) 0.000 11.716 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 11.927 ( 0.000 0.000 0.000) 0.000 12.767 ( 0.000 0.000 0.000) 0.000 12.896 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 14.013 ( 0.000 0.000 0.000) 0.000 14.121 ( 0.000 0.000 0.000) 0.000 14.549 ( 0.000 0.000 0.000) 0.000 14.705 ( 0.000 0.000 0.000) 0.000 14.915 ( 0.000 0.000 0.000) 0.000 15.149 ( 0.000 0.000 0.000) 0.000 15.205 ( 0.000 0.000 0.000) 0.000 16.078 ( 0.000 0.000 0.000) 0.000 16.391 ( 0.000 0.000 0.000) 0.000 16.568 ( 0.000 0.000 0.000) 0.000 16.834 ( 0.000 0.000 0.000) 0.000 16.897 ( 0.000 0.000 0.000) 0.000 17.065 ( 0.000 0.000 0.000) 0.000 17.278 ( 0.000 0.000 0.000) 0.000 23.877 ( 0.000 0.000 0.000) 0.000 24.018 ( 0.000 0.000 0.000) 0.000 24.030 ( 0.000 0.000 0.000) 0.000 24.136 ( 0.000 0.000 0.000) 0.000 24.846 ( 0.000 0.000 0.000) 0.000 24.965 ( 0.000 0.000 0.000) 0.000 25.584 ( 0.000 0.000 0.000) 0.000 25.630 ( 0.000 0.000 0.000) 0.000 25.841 ( 0.000 0.000 0.000) 0.000 26.005 ( 0.000 0.000 0.000) 0.000 26.243 ( 0.000 0.000 0.000) 0.000 27.795 ( 0.000 0.000 0.000) 0.000 27.918 ( 0.000 0.000 0.000) 0.000 28.088 ( 0.000 0.000 0.000) 0.000 28.260 ( 0.000 0.000 0.000) 0.000 28.287 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.728 ( 39.733 0.000 0.000) 39.733 0.814 ( 44.794 0.000 0.000) 44.794 1.251 ( 68.052 0.000 0.000) 68.052 2.545 ( -21.330 0.000 0.000) 21.330 3.165 ( -37.743 0.000 0.000) 37.743 4.290 ( 16.003 0.000 0.000) 16.003 4.482 ( -39.093 0.000 0.000) 39.093 4.766 ( 32.901 0.000 0.000) 32.901 4.947 ( -5.187 0.000 0.000) 5.187 5.020 ( -5.595 0.000 0.000) 5.595 5.541 ( -23.454 0.000 0.000) 23.454 5.793 ( 10.950 0.000 0.000) 10.950 6.016 ( 0.694 0.000 0.000) 0.694 6.155 ( 1.228 0.000 0.000) 1.228 6.171 ( 9.800 0.000 0.000) 9.800 6.176 ( -1.403 0.000 0.000) 1.403 6.471 ( 4.530 0.000 0.000) 4.530 6.608 ( 20.470 0.000 0.000) 20.470 6.772 ( -13.645 0.000 0.000) 13.645 7.034 ( -2.016 0.000 0.000) 2.016 7.140 ( 5.415 0.000 0.000) 5.415 7.530 ( -8.603 0.000 0.000) 8.603 7.546 ( -1.436 0.000 0.000) 1.436 7.546 ( -6.049 0.000 0.000) 6.049 7.925 ( 0.251 0.000 0.000) 0.251 8.021 ( -0.290 0.000 0.000) 0.290 8.043 ( 3.856 0.000 0.000) 3.856 8.134 ( -1.423 0.000 0.000) 1.423 8.807 ( 1.058 0.000 0.000) 1.058 8.857 ( -1.235 0.000 0.000) 1.235 8.947 ( 0.856 0.000 0.000) 0.856 8.960 ( -2.303 0.000 0.000) 2.303 8.977 ( 2.901 0.000 0.000) 2.901 9.236 ( -5.593 0.000 0.000) 5.593 9.429 ( 2.688 0.000 0.000) 2.688 9.534 ( 6.285 0.000 0.000) 6.285 9.715 ( -3.392 0.000 0.000) 3.392 9.813 ( 1.758 0.000 0.000) 1.758 9.815 ( -2.568 0.000 0.000) 2.568 9.832 ( 0.184 0.000 0.000) 0.184 10.531 ( 1.523 0.000 0.000) 1.523 10.609 ( -0.569 0.000 0.000) 0.569 10.890 ( 11.346 0.000 0.000) 11.346 11.566 ( 0.146 0.000 0.000) 0.146 11.588 ( -0.560 0.000 0.000) 0.560 11.646 ( -8.569 0.000 0.000) 8.569 11.739 ( 2.440 0.000 0.000) 2.440 11.781 ( 1.331 0.000 0.000) 1.331 11.895 ( -1.916 0.000 0.000) 1.916 11.909 ( -1.944 0.000 0.000) 1.944 12.944 ( 5.163 0.000 0.000) 5.163 13.045 ( 1.202 0.000 0.000) 1.202 13.145 ( -1.334 0.000 0.000) 1.334 13.337 ( -4.683 0.000 0.000) 4.683 14.020 ( 0.752 0.000 0.000) 0.752 14.126 ( -2.227 0.000 0.000) 2.227 14.563 ( 1.510 0.000 0.000) 1.510 14.689 ( -1.683 0.000 0.000) 1.683 15.159 ( 1.052 0.000 0.000) 1.052 15.206 ( 0.006 0.000 0.000) 0.006 16.002 ( 0.249 0.000 0.000) 0.249 16.066 ( -1.226 0.000 0.000) 1.226 16.409 ( 1.938 0.000 0.000) 1.938 16.552 ( -1.682 0.000 0.000) 1.682 16.847 ( 1.347 0.000 0.000) 1.347 16.904 ( 0.488 0.000 0.000) 0.488 17.112 ( 1.176 0.000 0.000) 1.176 17.259 ( -2.032 0.000 0.000) 2.032 23.898 ( 2.172 0.000 0.000) 2.172 24.026 ( -0.616 0.000 0.000) 0.616 24.111 ( -0.292 0.000 0.000) 0.292 24.125 ( -1.088 0.000 0.000) 1.088 24.857 ( 1.210 0.000 0.000) 1.210 24.954 ( -1.231 0.000 0.000) 1.231 25.643 ( 1.446 0.000 0.000) 1.446 25.803 ( -3.405 0.000 0.000) 3.405 26.045 ( 3.658 0.000 0.000) 3.658 26.227 ( -1.736 0.000 0.000) 1.736 27.801 ( 0.597 0.000 0.000) 0.597 27.844 ( -0.498 0.000 0.000) 0.498 27.929 ( 1.248 0.000 0.000) 1.248 28.061 ( -2.575 0.000 0.000) 2.575 28.290 ( 2.879 0.000 0.000) 2.879 28.449 ( -1.633 0.000 0.000) 1.633 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 37.060 0.000 0.000) 37.060 1.614 ( 43.433 0.000 0.000) 43.433 2.053 ( -31.814 0.000 0.000) 31.814 2.280 ( 0.309 0.000 0.000) 0.309 2.609 ( 22.075 0.000 0.000) 22.075 3.599 ( -56.052 0.000 0.000) 56.052 4.651 ( 22.872 0.000 0.000) 22.872 4.875 ( -1.919 0.000 0.000) 1.919 4.894 ( -3.908 0.000 0.000) 3.908 5.091 ( -25.274 0.000 0.000) 25.274 5.395 ( 31.919 0.000 0.000) 31.919 5.879 ( -18.818 0.000 0.000) 18.818 6.032 ( 12.419 0.000 0.000) 12.419 6.145 ( -2.448 0.000 0.000) 2.448 6.210 ( 6.960 0.000 0.000) 6.960 6.341 ( 7.415 0.000 0.000) 7.415 6.433 ( -4.120 0.000 0.000) 4.120 6.467 ( -18.021 0.000 0.000) 18.021 6.978 ( 19.104 0.000 0.000) 19.104 7.161 ( 12.679 0.000 0.000) 12.679 7.240 ( -1.447 0.000 0.000) 1.447 7.348 ( -4.622 0.000 0.000) 4.622 7.388 ( -11.202 0.000 0.000) 11.202 7.457 ( -7.758 0.000 0.000) 7.758 7.955 ( 2.727 0.000 0.000) 2.727 8.001 ( -1.951 0.000 0.000) 1.951 8.087 ( 1.201 0.000 0.000) 1.201 8.107 ( -1.361 0.000 0.000) 1.361 8.837 ( 2.053 0.000 0.000) 2.053 8.854 ( 0.329 0.000 0.000) 0.329 8.920 ( -1.542 0.000 0.000) 1.542 8.929 ( -2.149 0.000 0.000) 2.149 9.046 ( 4.494 0.000 0.000) 4.494 9.135 ( -5.334 0.000 0.000) 5.334 9.510 ( 6.060 0.000 0.000) 6.060 9.626 ( -6.136 0.000 0.000) 6.136 9.650 ( 6.116 0.000 0.000) 6.116 9.748 ( -4.684 0.000 0.000) 4.684 9.842 ( 0.999 0.000 0.000) 0.999 9.843 ( 0.677 0.000 0.000) 0.677 10.564 ( 1.841 0.000 0.000) 1.841 10.592 ( -1.270 0.000 0.000) 1.270 11.149 ( 16.094 0.000 0.000) 16.094 11.433 ( -14.483 0.000 0.000) 14.483 11.570 ( 0.322 0.000 0.000) 0.322 11.577 ( -0.518 0.000 0.000) 0.518 11.796 ( 3.567 0.000 0.000) 3.567 11.811 ( 2.033 0.000 0.000) 2.033 11.853 ( -2.474 0.000 0.000) 2.474 11.860 ( -3.316 0.000 0.000) 3.316 13.069 ( 8.143 0.000 0.000) 8.143 13.075 ( 2.008 0.000 0.000) 2.008 13.113 ( -2.091 0.000 0.000) 2.091 13.219 ( -7.922 0.000 0.000) 7.922 14.041 ( 1.684 0.000 0.000) 1.684 14.080 ( -2.556 0.000 0.000) 2.556 14.601 ( 2.510 0.000 0.000) 2.510 14.648 ( -2.615 0.000 0.000) 2.615 15.182 ( 1.319 0.000 0.000) 1.319 15.201 ( -0.676 0.000 0.000) 0.676 16.014 ( 1.036 0.000 0.000) 1.036 16.039 ( -1.617 0.000 0.000) 1.617 16.456 ( 2.989 0.000 0.000) 2.989 16.510 ( -2.833 0.000 0.000) 2.833 16.877 ( 1.752 0.000 0.000) 1.752 16.902 ( -0.803 0.000 0.000) 0.803 17.150 ( 2.926 0.000 0.000) 2.926 17.209 ( -3.290 0.000 0.000) 3.290 23.949 ( 3.175 0.000 0.000) 3.175 24.001 ( -2.269 0.000 0.000) 2.269 24.105 ( -0.223 0.000 0.000) 0.223 24.107 ( -0.575 0.000 0.000) 0.575 24.887 ( 1.963 0.000 0.000) 1.963 24.924 ( -1.976 0.000 0.000) 1.976 25.681 ( 2.699 0.000 0.000) 2.699 25.738 ( -3.535 0.000 0.000) 3.535 26.117 ( 3.963 0.000 0.000) 3.963 26.182 ( -3.149 0.000 0.000) 3.149 27.815 ( 0.912 0.000 0.000) 0.912 27.831 ( -0.851 0.000 0.000) 0.851 27.962 ( 2.286 0.000 0.000) 2.286 28.009 ( -2.888 0.000 0.000) 2.888 28.350 ( 3.424 0.000 0.000) 3.424 28.408 ( -2.872 0.000 0.000) 2.872 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 0.000 40.568 0.000) 40.568 0.860 ( 0.000 44.296 0.000) 44.296 1.510 ( 0.000 75.423 0.000) 75.423 2.960 ( 0.000 19.421 0.000) 19.421 3.604 ( 0.000 2.350 0.000) 2.350 4.007 ( 0.000 -9.234 0.000) 9.234 4.364 ( 0.000 3.921 0.000) 3.921 4.766 ( 0.000 -8.403 0.000) 8.403 4.918 ( 0.000 -16.706 0.000) 16.706 5.335 ( 0.000 27.882 0.000) 27.882 5.537 ( 0.000 -15.420 0.000) 15.420 5.880 ( 0.000 -7.812 0.000) 7.812 5.946 ( 0.000 10.390 0.000) 10.390 6.000 ( 0.000 0.310 0.000) 0.310 6.197 ( 0.000 5.350 0.000) 5.350 6.384 ( 0.000 14.349 0.000) 14.349 6.503 ( 0.000 12.667 0.000) 12.667 6.654 ( 0.000 -24.385 0.000) 24.385 6.902 ( 0.000 -11.722 0.000) 11.722 7.002 ( 0.000 3.607 0.000) 3.607 7.243 ( 0.000 6.773 0.000) 6.773 7.416 ( 0.000 -12.664 0.000) 12.664 7.542 ( 0.000 -1.302 0.000) 1.302 7.777 ( 0.000 -13.721 0.000) 13.721 7.932 ( 0.000 15.782 0.000) 15.782 7.982 ( 0.000 -3.568 0.000) 3.568 8.160 ( 0.000 10.554 0.000) 10.554 8.184 ( 0.000 6.574 0.000) 6.574 8.204 ( 0.000 2.559 0.000) 2.559 8.778 ( 0.000 -2.116 0.000) 2.116 8.844 ( 0.000 -5.109 0.000) 5.109 8.881 ( 0.000 -1.120 0.000) 1.120 8.916 ( 0.000 -0.053 0.000) 0.053 9.204 ( 0.000 11.900 0.000) 11.900 9.299 ( 0.000 -0.199 0.000) 0.199 9.384 ( 0.000 -1.761 0.000) 1.761 9.497 ( 0.000 3.138 0.000) 3.138 9.681 ( 0.000 -8.504 0.000) 8.504 9.805 ( 0.000 -2.661 0.000) 2.661 9.871 ( 0.000 0.955 0.000) 0.955 10.530 ( 0.000 -2.348 0.000) 2.348 10.582 ( 0.000 -3.364 0.000) 3.364 10.728 ( 0.000 -5.173 0.000) 5.173 10.816 ( 0.000 -7.276 0.000) 7.276 11.611 ( 0.000 3.771 0.000) 3.771 11.746 ( 0.000 1.443 0.000) 1.443 11.751 ( 0.000 3.212 0.000) 3.212 11.905 ( 0.000 -2.050 0.000) 2.050 12.002 ( 0.000 8.901 0.000) 8.901 12.761 ( 0.000 -0.532 0.000) 0.532 12.869 ( 0.000 -2.578 0.000) 2.578 12.982 ( 0.000 -2.071 0.000) 2.071 13.140 ( 0.000 -1.758 0.000) 1.758 13.317 ( 0.000 -1.608 0.000) 1.608 13.941 ( 0.000 -7.049 0.000) 7.049 14.078 ( 0.000 -4.413 0.000) 4.413 14.616 ( 0.000 -6.790 0.000) 6.790 14.942 ( 0.000 2.676 0.000) 2.676 15.149 ( 0.000 -0.041 0.000) 0.041 15.232 ( 0.000 2.305 0.000) 2.305 16.136 ( 0.000 1.404 0.000) 1.404 16.161 ( 0.000 7.041 0.000) 7.041 16.407 ( 0.000 1.214 0.000) 1.214 16.550 ( 0.000 -1.760 0.000) 1.760 16.854 ( 0.000 1.975 0.000) 1.975 16.903 ( 0.000 0.612 0.000) 0.612 17.059 ( 0.000 -0.617 0.000) 0.617 17.263 ( 0.000 -1.475 0.000) 1.475 23.887 ( 0.000 0.983 0.000) 0.983 24.017 ( 0.000 -0.053 0.000) 0.053 24.046 ( 0.000 1.557 0.000) 1.557 24.132 ( 0.000 -0.207 0.000) 0.207 24.842 ( 0.000 -0.334 0.000) 0.334 24.929 ( 0.000 -3.034 0.000) 3.034 25.432 ( 0.000 -12.035 0.000) 12.035 25.715 ( 0.000 -11.920 0.000) 11.920 26.183 ( 0.000 16.632 0.000) 16.632 26.444 ( 0.000 16.866 0.000) 16.866 27.807 ( 0.000 0.716 0.000) 0.716 27.900 ( 0.000 -1.826 0.000) 1.826 28.082 ( 0.000 -0.615 0.000) 0.615 28.237 ( 0.000 -2.295 0.000) 2.295 28.279 ( 0.000 -0.807 0.000) 0.807 28.499 ( 0.000 -2.798 0.000) 2.798 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( 23.816 28.518 0.000) 37.155 1.173 ( 29.714 31.381 0.000) 43.217 1.991 ( 44.028 57.839 0.000) 72.690 2.719 ( -23.400 15.974 0.000) 28.332 3.223 ( -33.780 6.277 0.000) 34.359 4.104 ( 3.584 -6.050 0.000) 7.032 4.668 ( -8.704 -3.026 0.000) 9.215 4.705 ( 25.003 -4.804 0.000) 25.461 4.870 ( -0.191 -13.053 0.000) 13.054 5.104 ( -17.740 25.464 0.000) 31.034 5.638 ( -20.019 6.894 0.000) 21.173 5.639 ( 9.674 -15.847 0.000) 18.566 6.039 ( 2.233 2.319 0.000) 3.220 6.071 ( 8.639 -0.770 0.000) 8.674 6.205 ( 0.259 4.011 0.000) 4.019 6.335 ( -10.375 -0.866 0.000) 10.411 6.488 ( -4.040 -0.030 0.000) 4.040 6.646 ( 11.649 -0.289 0.000) 11.652 6.866 ( -10.672 9.193 0.000) 14.086 6.977 ( 8.847 -0.885 0.000) 8.891 7.200 ( -0.782 2.737 0.000) 2.847 7.461 ( 1.283 -3.975 0.000) 4.176 7.547 ( -2.272 -0.021 0.000) 2.272 7.682 ( -8.250 14.277 0.000) 16.489 7.779 ( 0.890 -14.254 0.000) 14.282 7.942 ( -3.410 -5.082 0.000) 6.120 8.118 ( -0.339 -1.193 0.000) 1.240 8.174 ( 0.434 7.964 0.000) 7.976 8.787 ( 1.165 -2.171 0.000) 2.464 8.844 ( -1.713 -1.546 0.000) 2.308 8.847 ( 2.776 -4.921 0.000) 5.650 8.914 ( 18.619 -14.725 0.000) 23.738 8.945 ( 0.629 -0.393 0.000) 0.742 9.227 ( -5.867 -0.241 0.000) 5.871 9.300 ( 12.117 -0.709 0.000) 12.138 9.391 ( 1.168 -2.651 0.000) 2.897 9.567 ( 5.811 2.292 0.000) 6.247 9.699 ( 1.447 -7.091 0.000) 7.237 9.819 ( 1.497 -1.337 0.000) 2.007 9.874 ( 0.266 0.490 0.000) 0.558 10.523 ( -0.015 -1.904 0.000) 1.904 10.576 ( -0.615 -3.392 0.000) 3.447 10.810 ( 8.083 -7.391 0.000) 10.953 10.919 ( 8.262 -15.689 0.000) 17.731 11.632 ( 2.494 4.869 0.000) 5.471 11.746 ( 0.655 1.851 0.000) 1.964 11.785 ( 2.713 2.250 0.000) 3.524 11.885 ( -1.980 -1.400 0.000) 2.425 11.995 ( -0.714 9.377 0.000) 9.404 12.482 ( -22.717 17.760 0.000) 28.835 12.907 ( 3.832 -3.470 0.000) 5.170 12.999 ( 0.896 -3.604 0.000) 3.714 13.139 ( 0.066 -0.820 0.000) 0.823 13.306 ( -2.286 -2.389 0.000) 3.307 13.951 ( 1.052 -6.784 0.000) 6.865 14.066 ( -1.510 -5.153 0.000) 5.370 14.606 ( -0.944 -6.079 0.000) 6.152 14.729 ( -12.717 9.234 0.000) 15.716 15.163 ( 1.419 0.176 0.000) 1.430 15.241 ( -0.050 2.401 0.000) 2.402 16.062 ( -3.190 4.059 0.000) 5.162 16.135 ( -2.584 5.904 0.000) 6.444 16.432 ( 2.518 1.712 0.000) 3.045 16.563 ( -0.303 -0.682 0.000) 0.746 16.867 ( 1.385 2.004 0.000) 2.437 16.912 ( 0.812 0.824 0.000) 1.157 17.096 ( 2.467 -1.188 0.000) 2.738 17.245 ( -1.931 -1.380 0.000) 2.373 23.908 ( 2.176 0.986 0.000) 2.389 24.041 ( -0.686 1.502 0.000) 1.651 24.062 ( 2.631 -2.111 0.000) 3.373 24.121 ( -1.141 -0.251 0.000) 1.169 24.844 ( 0.553 -0.704 0.000) 0.895 24.919 ( -1.044 -2.867 0.000) 3.052 25.506 ( 5.571 -13.393 0.000) 14.505 25.698 ( -1.771 -11.226 0.000) 11.365 26.201 ( 1.964 15.928 0.000) 16.048 26.390 ( -4.392 17.326 0.000) 17.874 27.816 ( 1.031 0.954 0.000) 1.405 27.906 ( 0.466 -1.841 0.000) 1.899 28.055 ( -2.446 -0.494 0.000) 2.495 28.092 ( -12.103 9.692 0.000) 15.505 28.269 ( 3.026 -2.147 0.000) 3.710 28.448 ( -2.800 -0.870 0.000) 2.932 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 32.615 13.952 0.000) 35.474 1.770 ( 29.919 16.071 0.000) 33.962 2.234 ( -24.375 16.367 0.000) 29.360 2.544 ( -34.875 17.070 0.000) 38.829 2.901 ( 49.072 33.808 0.000) 59.591 3.760 ( -40.338 16.714 0.000) 43.664 4.666 ( 5.907 -10.265 0.000) 11.843 4.737 ( -3.821 -14.985 0.000) 15.465 4.952 ( 4.497 18.529 0.000) 19.067 5.194 ( -8.482 4.608 0.000) 9.653 5.368 ( 17.620 2.375 0.000) 17.779 5.761 ( -8.186 -13.944 0.000) 16.169 5.990 ( 1.481 -3.966 0.000) 4.233 6.156 ( -9.473 -6.182 0.000) 11.312 6.196 ( 3.099 -5.824 0.000) 6.597 6.210 ( 0.826 -0.256 0.000) 0.865 6.474 ( 4.485 5.589 0.000) 7.166 6.611 ( -10.257 10.733 0.000) 14.846 6.956 ( 14.197 0.187 0.000) 14.198 7.120 ( 0.151 -0.047 0.000) 0.159 7.246 ( 7.459 -0.414 0.000) 7.470 7.425 ( -9.790 0.269 0.000) 9.794 7.462 ( 1.670 8.485 0.000) 8.648 7.554 ( -6.886 10.875 0.000) 12.872 7.823 ( 3.192 -12.490 0.000) 12.892 7.881 ( -3.257 -9.748 0.000) 10.277 8.125 ( 1.263 1.483 0.000) 1.949 8.158 ( -1.869 4.599 0.000) 4.965 8.821 ( 2.024 -1.903 0.000) 2.778 8.833 ( 0.118 -2.214 0.000) 2.218 8.866 ( 1.289 -3.455 0.000) 3.688 8.917 ( -3.274 -1.085 0.000) 3.449 9.055 ( 3.672 -1.093 0.000) 3.831 9.128 ( -4.739 -0.392 0.000) 4.755 9.432 ( 2.856 -4.767 0.000) 5.557 9.453 ( 2.275 -8.178 0.000) 8.489 9.665 ( 4.359 0.157 0.000) 4.362 9.711 ( -0.643 -3.590 0.000) 3.647 9.850 ( 1.637 0.053 0.000) 1.638 9.872 ( -0.703 0.392 0.000) 0.805 10.537 ( 1.259 -2.760 0.000) 3.033 10.560 ( -1.167 -3.301 0.000) 3.501 10.964 ( 7.099 -13.323 0.000) 15.097 11.018 ( 1.522 -18.514 0.000) 18.577 11.709 ( 5.554 6.257 0.000) 8.367 11.761 ( 0.326 1.873 0.000) 1.902 11.828 ( 1.386 1.492 0.000) 2.037 11.847 ( -1.785 0.041 0.000) 1.785 11.988 ( 0.954 13.147 0.000) 13.181 12.118 ( -15.125 22.463 0.000) 27.080 12.981 ( 3.350 -5.738 0.000) 6.645 13.009 ( -0.021 -5.130 0.000) 5.130 13.157 ( 2.535 1.346 0.000) 2.870 13.234 ( -5.049 0.003 0.000) 5.049 13.979 ( 2.130 -6.119 0.000) 6.479 14.025 ( -2.693 -5.499 0.000) 6.123 14.589 ( -0.692 -3.657 0.000) 3.722 14.600 ( -2.710 1.722 0.000) 3.210 15.195 ( 1.986 0.842 0.000) 2.157 15.227 ( -1.398 1.819 0.000) 2.294 16.047 ( 0.986 3.404 0.000) 3.544 16.083 ( -2.751 4.220 0.000) 5.037 16.485 ( 3.080 1.839 0.000) 3.588 16.536 ( -2.371 1.045 0.000) 2.591 16.897 ( 1.677 1.944 0.000) 2.567 16.918 ( -0.441 1.484 0.000) 1.548 17.142 ( 2.846 -0.816 0.000) 2.960 17.198 ( -3.100 -1.112 0.000) 3.294 23.959 ( 3.256 1.042 0.000) 3.419 24.014 ( -2.444 1.262 0.000) 2.751 24.090 ( 0.767 -1.069 0.000) 1.316 24.101 ( -0.780 -0.390 0.000) 0.872 24.864 ( 1.505 -1.642 0.000) 2.227 24.894 ( -1.637 -2.388 0.000) 2.896 25.592 ( 3.977 -11.191 0.000) 11.877 25.654 ( -2.983 -10.387 0.000) 10.807 26.249 ( 3.226 15.009 0.000) 15.352 26.314 ( -3.906 15.534 0.000) 16.017 27.844 ( 2.128 1.695 0.000) 2.720 27.892 ( -2.654 1.287 0.000) 2.949 27.981 ( -0.452 3.806 0.000) 3.833 28.008 ( -2.439 0.221 0.000) 2.449 28.332 ( 3.653 -1.870 0.000) 4.104 28.395 ( -3.254 -1.448 0.000) 3.562 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 0.000 40.672 0.000) 40.672 1.746 ( 0.000 45.570 0.000) 45.570 2.931 ( 0.000 67.352 0.000) 67.352 3.419 ( 0.000 23.661 0.000) 23.661 3.696 ( 0.000 7.363 0.000) 7.363 3.848 ( 0.000 -6.112 0.000) 6.112 4.426 ( 0.000 -11.157 0.000) 11.157 4.538 ( 0.000 -6.982 0.000) 6.982 4.604 ( 0.000 -7.202 0.000) 7.202 5.122 ( 0.000 -24.106 0.000) 24.106 5.711 ( 0.000 -9.212 0.000) 9.212 5.923 ( 0.000 18.373 0.000) 18.373 6.026 ( 0.000 9.911 0.000) 9.911 6.059 ( 0.000 -25.707 0.000) 25.707 6.243 ( 0.000 13.306 0.000) 13.306 6.298 ( 0.000 3.150 0.000) 3.150 6.667 ( 0.000 -8.892 0.000) 8.892 6.699 ( 0.000 15.756 0.000) 15.756 6.795 ( 0.000 15.972 0.000) 15.972 7.201 ( 0.000 11.958 0.000) 11.958 7.242 ( 0.000 -4.081 0.000) 4.081 7.333 ( 0.000 -22.858 0.000) 22.858 7.374 ( 0.000 6.753 0.000) 6.753 7.530 ( 0.000 -8.774 0.000) 8.774 7.897 ( 0.000 -4.692 0.000) 4.692 8.040 ( 0.000 0.642 0.000) 0.642 8.256 ( 0.000 2.745 0.000) 2.745 8.306 ( 0.000 3.786 0.000) 3.786 8.456 ( 0.000 15.099 0.000) 15.099 8.720 ( 0.000 -3.351 0.000) 3.351 8.795 ( 0.000 0.164 0.000) 0.164 8.835 ( 0.000 -3.101 0.000) 3.101 8.903 ( 0.000 -1.436 0.000) 1.436 9.318 ( 0.000 1.096 0.000) 1.096 9.332 ( 0.000 -3.839 0.000) 3.839 9.453 ( 0.000 13.330 0.000) 13.330 9.490 ( 0.000 -10.594 0.000) 10.594 9.576 ( 0.000 5.115 0.000) 5.115 9.744 ( 0.000 -2.668 0.000) 2.668 9.889 ( 0.000 1.727 0.000) 1.727 10.454 ( 0.000 -5.505 0.000) 5.505 10.478 ( 0.000 -7.114 0.000) 7.114 10.585 ( 0.000 -8.998 0.000) 8.998 10.621 ( 0.000 -12.142 0.000) 12.142 11.681 ( 0.000 3.097 0.000) 3.097 11.784 ( 0.000 2.305 0.000) 2.305 11.820 ( 0.000 3.266 0.000) 3.266 11.856 ( 0.000 -2.641 0.000) 2.641 12.234 ( 0.000 13.385 0.000) 13.385 12.750 ( 0.000 -0.345 0.000) 0.345 12.801 ( 0.000 -4.110 0.000) 4.110 12.925 ( 0.000 -3.478 0.000) 3.478 13.097 ( 0.000 -2.115 0.000) 2.115 13.305 ( 0.000 1.121 0.000) 1.121 13.752 ( 0.000 -11.648 0.000) 11.648 13.951 ( 0.000 -8.301 0.000) 8.301 14.538 ( 0.000 0.550 0.000) 0.550 15.014 ( 0.000 4.493 0.000) 4.493 15.135 ( 0.000 -1.882 0.000) 1.882 15.272 ( 0.000 1.174 0.000) 1.174 16.181 ( 0.000 3.220 0.000) 3.220 16.297 ( 0.000 5.811 0.000) 5.811 16.423 ( 0.000 0.237 0.000) 0.237 16.502 ( 0.000 -3.032 0.000) 3.032 16.910 ( 0.000 3.630 0.000) 3.630 16.920 ( 0.000 1.136 0.000) 1.136 17.041 ( 0.000 -1.219 0.000) 1.219 17.221 ( 0.000 -2.772 0.000) 2.772 23.914 ( 0.000 1.710 0.000) 1.710 24.015 ( 0.000 -0.217 0.000) 0.217 24.088 ( 0.000 2.576 0.000) 2.576 24.136 ( 0.000 0.650 0.000) 0.650 24.837 ( 0.000 -0.113 0.000) 0.113 24.872 ( 0.000 -2.274 0.000) 2.274 25.195 ( 0.000 -11.179 0.000) 11.179 25.425 ( 0.000 -16.178 0.000) 16.178 26.588 ( 0.000 22.989 0.000) 22.989 26.815 ( 0.000 19.718 0.000) 19.718 27.796 ( 0.000 -2.507 0.000) 2.507 27.842 ( 0.000 -4.225 0.000) 4.225 28.068 ( 0.000 -0.688 0.000) 0.688 28.175 ( 0.000 -3.757 0.000) 3.757 28.260 ( 0.000 -0.995 0.000) 0.995 28.422 ( 0.000 -4.693 0.000) 4.693 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 9.737 37.151 0.000) 38.406 1.900 ( 15.954 40.526 0.000) 43.553 3.074 ( -27.173 17.813 0.000) 32.491 3.174 ( 20.699 53.666 0.000) 57.519 3.447 ( -19.153 21.266 0.000) 28.619 4.090 ( 15.682 0.305 0.000) 15.685 4.408 ( -3.426 -23.699 0.000) 23.945 4.522 ( -8.601 -3.865 0.000) 9.430 4.736 ( 19.498 -1.340 0.000) 19.544 5.182 ( 6.703 -27.576 0.000) 28.379 5.687 ( -4.025 -2.805 0.000) 4.906 5.763 ( -17.257 33.113 0.000) 37.340 5.956 ( -9.239 -22.685 0.000) 24.494 6.111 ( 6.211 5.616 0.000) 8.373 6.184 ( -13.241 -7.592 0.000) 15.263 6.250 ( 1.216 12.243 0.000) 12.304 6.495 ( 0.446 2.629 0.000) 2.667 6.795 ( 9.057 11.570 0.000) 14.693 7.046 ( 12.380 5.266 0.000) 13.454 7.070 ( -9.570 8.402 0.000) 12.735 7.219 ( -1.227 1.034 0.000) 1.604 7.407 ( 2.551 -21.235 0.000) 21.388 7.462 ( 7.483 3.854 0.000) 8.417 7.497 ( -2.310 -5.669 0.000) 6.122 7.831 ( -6.696 -5.387 0.000) 8.594 7.969 ( -9.033 11.097 0.000) 14.309 8.119 ( -0.912 2.586 0.000) 2.743 8.289 ( -2.112 3.068 0.000) 3.724 8.724 ( 1.057 -3.962 0.000) 4.101 8.763 ( 15.725 -2.221 0.000) 15.881 8.798 ( -2.028 -2.428 0.000) 3.164 8.811 ( 3.552 1.681 0.000) 3.930 8.922 ( 0.108 -2.090 0.000) 2.092 9.230 ( -6.685 -0.991 0.000) 6.758 9.344 ( 0.586 -2.037 0.000) 2.120 9.400 ( -1.963 1.810 0.000) 2.671 9.580 ( 5.719 -0.397 0.000) 5.733 9.622 ( 3.722 4.050 0.000) 5.501 9.784 ( 3.551 -1.662 0.000) 3.921 9.886 ( -0.411 1.493 0.000) 1.548 10.451 ( -0.202 -5.492 0.000) 5.496 10.474 ( -0.456 -6.965 0.000) 6.980 10.625 ( 3.850 -10.919 0.000) 11.578 10.653 ( 2.995 -13.481 0.000) 13.810 11.711 ( 3.201 3.090 0.000) 4.449 11.788 ( 0.416 2.277 0.000) 2.315 11.836 ( 1.508 2.494 0.000) 2.915 11.851 ( -0.467 -1.832 0.000) 1.891 12.239 ( 0.845 13.840 0.000) 13.866 12.658 ( -9.632 4.235 0.000) 10.521 12.823 ( 2.170 -4.767 0.000) 5.237 12.922 ( -0.487 -4.101 0.000) 4.130 13.112 ( 1.731 -1.438 0.000) 2.250 13.279 ( -2.618 0.534 0.000) 2.672 13.768 ( 1.722 -11.303 0.000) 11.433 13.929 ( -2.319 -8.668 0.000) 8.973 14.548 ( 1.218 1.614 0.000) 2.022 14.888 ( -11.129 7.566 0.000) 13.457 15.152 ( 1.782 -1.756 0.000) 2.502 15.274 ( -0.562 0.469 0.000) 0.731 16.147 ( -2.151 4.749 0.000) 5.214 16.255 ( -3.748 5.585 0.000) 6.726 16.451 ( 2.375 -0.050 0.000) 2.376 16.518 ( 0.877 -3.447 0.000) 3.557 16.922 ( 1.220 3.425 0.000) 3.636 16.933 ( 1.236 1.255 0.000) 1.762 17.070 ( 2.537 -1.563 0.000) 2.980 17.206 ( -1.626 -2.580 0.000) 3.050 23.935 ( 2.218 1.752 0.000) 2.827 24.039 ( 2.167 -0.613 0.000) 2.252 24.082 ( -0.898 2.456 0.000) 2.615 24.123 ( -1.262 0.565 0.000) 1.383 24.835 ( -0.027 -0.162 0.000) 0.164 24.866 ( -0.598 -2.044 0.000) 2.130 25.237 ( 4.084 -12.633 0.000) 13.277 25.414 ( -1.163 -15.940 0.000) 15.982 26.602 ( 1.501 22.911 0.000) 22.960 26.781 ( -3.351 20.738 0.000) 21.007 27.806 ( 1.046 -2.715 0.000) 2.909 27.846 ( 0.311 -4.428 0.000) 4.439 28.048 ( -1.579 -0.089 0.000) 1.581 28.182 ( -7.005 1.668 0.000) 7.200 28.209 ( 3.175 -3.779 0.000) 4.935 28.399 ( -2.336 -3.952 0.000) 4.591 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 21.344 27.166 0.000) 34.548 2.215 ( 9.339 27.488 0.000) 29.032 2.631 ( -12.153 23.562 0.000) 26.511 2.909 ( -27.263 21.827 0.000) 34.924 3.777 ( 31.823 48.785 0.000) 58.247 4.230 ( -9.812 27.138 0.000) 28.857 4.335 ( -4.565 -18.794 0.000) 19.340 4.350 ( -2.225 -22.539 0.000) 22.648 5.101 ( 17.843 -11.832 0.000) 21.410 5.300 ( -0.331 -26.829 0.000) 26.831 5.474 ( -5.156 25.840 0.000) 26.350 5.563 ( -7.822 10.546 0.000) 13.130 5.803 ( -5.540 -19.276 0.000) 20.056 5.876 ( -13.632 -7.672 0.000) 15.643 6.251 ( 4.245 5.853 0.000) 7.231 6.278 ( 0.829 9.297 0.000) 9.334 6.633 ( 11.846 8.556 0.000) 14.613 6.844 ( -9.566 11.875 0.000) 15.249 7.028 ( 9.504 5.434 0.000) 10.947 7.177 ( -4.892 4.012 0.000) 6.327 7.213 ( 7.396 -2.732 0.000) 7.884 7.343 ( -6.906 -11.282 0.000) 13.227 7.521 ( 3.479 -14.433 0.000) 14.847 7.573 ( 1.473 -6.753 0.000) 6.912 7.720 ( -1.371 3.773 0.000) 4.014 7.811 ( -7.860 13.514 0.000) 15.633 8.159 ( 3.690 1.900 0.000) 4.151 8.231 ( -3.956 2.402 0.000) 4.628 8.763 ( 2.727 -3.971 0.000) 4.818 8.783 ( -0.072 -2.249 0.000) 2.250 8.818 ( 1.563 -1.371 0.000) 2.078 8.881 ( -4.194 -2.633 0.000) 4.952 9.008 ( 8.062 -2.495 0.000) 8.439 9.118 ( -5.485 -1.413 0.000) 5.664 9.364 ( 1.449 -2.832 0.000) 3.182 9.384 ( -0.556 -2.415 0.000) 2.478 9.661 ( 2.830 1.025 0.000) 3.010 9.674 ( 1.403 2.275 0.000) 2.673 9.843 ( 2.506 -0.192 0.000) 2.513 9.873 ( -1.043 0.772 0.000) 1.297 10.452 ( 0.400 -5.899 0.000) 5.912 10.463 ( -0.667 -6.540 0.000) 6.574 10.692 ( 2.604 -14.212 0.000) 14.449 10.701 ( 1.556 -15.170 0.000) 15.249 11.778 ( 2.981 2.093 0.000) 3.643 11.796 ( 0.259 1.807 0.000) 1.825 11.847 ( 0.390 -0.081 0.000) 0.399 11.857 ( 0.240 1.171 0.000) 1.195 12.287 ( 5.331 14.761 0.000) 15.694 12.448 ( -11.817 11.911 0.000) 16.778 12.868 ( 2.492 -5.611 0.000) 6.139 12.905 ( -1.494 -5.185 0.000) 5.396 13.158 ( 3.185 -0.436 0.000) 3.215 13.221 ( -3.570 -0.130 0.000) 3.573 13.813 ( 3.112 -10.444 0.000) 10.898 13.874 ( -3.470 -9.486 0.000) 10.100 14.590 ( 3.823 4.573 0.000) 5.961 14.699 ( -8.527 7.929 0.000) 11.644 15.195 ( 2.799 -1.312 0.000) 3.091 15.245 ( -2.431 -0.492 0.000) 2.480 16.138 ( 1.251 5.492 0.000) 5.632 16.185 ( -3.572 5.573 0.000) 6.619 16.492 ( 1.954 -1.300 0.000) 2.347 16.518 ( -0.818 -2.705 0.000) 2.826 16.946 ( 1.073 2.755 0.000) 2.957 16.952 ( 0.488 1.808 0.000) 1.873 17.117 ( 2.678 -1.680 0.000) 3.161 17.166 ( -2.610 -2.096 0.000) 3.347 23.988 ( 3.393 1.831 0.000) 3.855 24.048 ( -2.852 2.050 0.000) 3.512 24.076 ( 1.690 -0.323 0.000) 1.721 24.100 ( -1.140 0.347 0.000) 1.191 24.840 ( 0.546 -0.661 0.000) 0.857 24.853 ( -0.830 -1.427 0.000) 1.650 25.317 ( 4.226 -14.420 0.000) 15.026 25.380 ( -2.694 -15.350 0.000) 15.585 26.643 ( 3.066 22.683 0.000) 22.889 26.710 ( -4.133 22.102 0.000) 22.485 27.830 ( 1.423 -3.575 0.000) 3.847 27.848 ( -0.340 -4.575 0.000) 4.588 28.030 ( 0.090 1.814 0.000) 1.817 28.069 ( -4.503 3.554 0.000) 5.737 28.275 ( 3.923 -3.812 0.000) 5.470 28.344 ( -3.579 -3.727 0.000) 5.167 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 0.000 39.814 0.000) 39.814 2.642 ( 0.000 45.170 0.000) 45.170 3.739 ( 0.000 6.778 0.000) 6.778 3.777 ( 0.000 -1.149 0.000) 1.149 3.787 ( 0.000 -16.911 0.000) 16.911 3.897 ( 0.000 12.655 0.000) 12.655 4.097 ( 0.000 14.784 0.000) 14.784 4.278 ( 0.000 -31.499 0.000) 31.499 4.800 ( 0.000 30.999 0.000) 30.999 4.939 ( 0.000 13.074 0.000) 13.074 5.529 ( 0.000 -8.684 0.000) 8.684 5.590 ( 0.000 -17.032 0.000) 17.032 5.830 ( 0.000 -16.216 0.000) 16.216 6.218 ( 0.000 -0.096 0.000) 0.096 6.300 ( 0.000 -2.311 0.000) 2.311 6.587 ( 0.000 18.474 0.000) 18.474 6.603 ( 0.000 -35.767 0.000) 35.767 6.837 ( 0.000 20.932 0.000) 20.932 7.078 ( 0.000 9.745 0.000) 9.745 7.092 ( 0.000 6.477 0.000) 6.477 7.257 ( 0.000 6.272 0.000) 6.272 7.325 ( 0.000 -10.162 0.000) 10.162 7.384 ( 0.000 4.830 0.000) 4.830 7.507 ( 0.000 5.270 0.000) 5.270 7.831 ( 0.000 0.592 0.000) 0.592 8.077 ( 0.000 4.479 0.000) 4.479 8.281 ( 0.000 -7.188 0.000) 7.188 8.290 ( 0.000 -0.418 0.000) 0.418 8.651 ( 0.000 3.823 0.000) 3.823 8.665 ( 0.000 -1.747 0.000) 1.747 8.824 ( 0.000 3.256 0.000) 3.256 8.870 ( 0.000 7.775 0.000) 7.775 8.871 ( 0.000 -0.899 0.000) 0.899 9.224 ( 0.000 -7.003 0.000) 7.003 9.241 ( 0.000 -9.427 0.000) 9.427 9.273 ( 0.000 -11.203 0.000) 11.203 9.702 ( 0.000 7.306 0.000) 7.306 9.731 ( 0.000 14.943 0.000) 14.943 9.760 ( 0.000 4.375 0.000) 4.375 9.963 ( 0.000 5.927 0.000) 5.927 10.314 ( 0.000 -8.576 0.000) 8.576 10.323 ( 0.000 -7.517 0.000) 7.517 10.353 ( 0.000 -14.704 0.000) 14.704 10.394 ( 0.000 -9.747 0.000) 9.747 11.733 ( 0.000 2.215 0.000) 2.215 11.809 ( 0.000 -2.115 0.000) 2.115 11.831 ( 0.000 2.270 0.000) 2.270 11.866 ( 0.000 1.179 0.000) 1.179 12.478 ( 0.000 10.302 0.000) 10.302 12.716 ( 0.000 -4.388 0.000) 4.388 12.754 ( 0.000 0.894 0.000) 0.894 12.853 ( 0.000 -3.687 0.000) 3.687 13.098 ( 0.000 3.442 0.000) 3.442 13.379 ( 0.000 6.489 0.000) 6.489 13.501 ( 0.000 -13.378 0.000) 13.378 13.761 ( 0.000 -10.678 0.000) 10.678 14.648 ( 0.000 9.749 0.000) 9.749 15.053 ( 0.000 -6.827 0.000) 6.827 15.110 ( 0.000 5.047 0.000) 5.047 15.265 ( 0.000 -1.870 0.000) 1.870 16.259 ( 0.000 4.496 0.000) 4.496 16.378 ( 0.000 2.543 0.000) 2.543 16.419 ( 0.000 -0.481 0.000) 0.481 16.433 ( 0.000 -3.892 0.000) 3.892 16.947 ( 0.000 1.523 0.000) 1.523 16.990 ( 0.000 4.331 0.000) 4.331 17.012 ( 0.000 -1.634 0.000) 1.634 17.156 ( 0.000 -3.757 0.000) 3.757 23.951 ( 0.000 1.908 0.000) 1.908 24.006 ( 0.000 -0.710 0.000) 0.710 24.139 ( 0.000 2.263 0.000) 2.263 24.156 ( 0.000 1.126 0.000) 1.126 24.845 ( 0.000 1.217 0.000) 1.217 24.854 ( 0.000 0.850 0.000) 0.850 25.008 ( 0.000 -7.669 0.000) 7.669 25.125 ( 0.000 -13.304 0.000) 13.304 27.038 ( 0.000 21.818 0.000) 21.818 27.191 ( 0.000 18.028 0.000) 18.028 27.682 ( 0.000 -9.488 0.000) 9.488 27.723 ( 0.000 -8.283 0.000) 8.283 28.059 ( 0.000 -0.071 0.000) 0.071 28.106 ( 0.000 -2.827 0.000) 2.827 28.247 ( 0.000 -0.096 0.000) 0.096 28.329 ( 0.000 -4.379 0.000) 4.379 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.415 ( 3.654 37.849 0.000) 38.025 2.719 ( 7.543 41.667 0.000) 42.344 3.397 ( -20.873 15.842 0.000) 26.204 3.707 ( -15.033 18.981 0.000) 24.213 3.792 ( -0.027 -26.178 0.000) 26.178 3.915 ( 1.250 -15.997 0.000) 16.046 4.308 ( 17.325 17.117 0.000) 24.355 4.408 ( 11.917 -28.062 0.000) 30.487 4.822 ( 2.269 24.244 0.000) 24.350 4.896 ( -2.736 16.253 0.000) 16.482 5.546 ( -2.546 -12.243 0.000) 12.505 5.605 ( 5.653 -5.745 0.000) 8.059 5.822 ( -4.243 -18.879 0.000) 19.350 6.203 ( 1.293 6.544 0.000) 6.671 6.411 ( 5.796 6.594 0.000) 8.779 6.571 ( -0.035 11.297 0.000) 11.297 6.607 ( -13.632 19.525 0.000) 23.812 6.662 ( 5.316 -27.100 0.000) 27.616 7.104 ( 0.126 4.228 0.000) 4.230 7.113 ( 0.852 1.352 0.000) 1.598 7.254 ( -6.028 -1.660 0.000) 6.253 7.281 ( 1.491 3.959 0.000) 4.230 7.381 ( -1.037 -1.974 0.000) 2.230 7.497 ( -5.324 -4.101 0.000) 6.720 7.835 ( 3.224 9.134 0.000) 9.687 8.096 ( 1.283 5.055 0.000) 5.215 8.221 ( -5.031 4.359 0.000) 6.657 8.275 ( -0.819 -4.826 0.000) 4.895 8.653 ( 0.014 -2.433 0.000) 2.433 8.720 ( 4.518 -2.725 0.000) 5.276 8.789 ( -2.471 1.662 0.000) 2.978 8.879 ( -0.779 -1.198 0.000) 1.429 8.910 ( 4.176 7.259 0.000) 8.374 9.146 ( -5.310 -6.426 0.000) 8.336 9.264 ( 0.620 -7.272 0.000) 7.299 9.273 ( 0.014 -9.931 0.000) 9.931 9.745 ( 3.384 7.732 0.000) 8.440 9.756 ( 2.310 13.472 0.000) 13.669 9.797 ( 3.842 3.435 0.000) 5.153 9.955 ( -0.881 5.728 0.000) 5.795 10.309 ( -0.290 -8.622 0.000) 8.627 10.319 ( -0.411 -7.780 0.000) 7.791 10.371 ( 1.703 -14.913 0.000) 15.010 10.402 ( 0.736 -11.061 0.000) 11.086 11.759 ( 2.674 1.932 0.000) 3.299 11.818 ( 0.973 -1.484 0.000) 1.775 11.832 ( 0.110 2.108 0.000) 2.111 11.870 ( 0.324 0.747 0.000) 0.814 12.486 ( 1.110 10.286 0.000) 10.346 12.717 ( -4.031 2.479 0.000) 4.732 12.729 ( 1.400 -4.658 0.000) 4.864 12.841 ( -1.278 -3.989 0.000) 4.188 13.124 ( 2.743 3.790 0.000) 4.678 13.347 ( -3.327 6.431 0.000) 7.240 13.524 ( 2.411 -13.065 0.000) 13.286 13.733 ( -2.903 -10.878 0.000) 11.259 14.673 ( 2.769 10.089 0.000) 10.462 15.034 ( -7.456 7.133 0.000) 10.318 15.073 ( 2.146 -6.605 0.000) 6.945 15.250 ( -1.966 -2.938 0.000) 3.536 16.247 ( -0.782 5.239 0.000) 5.297 16.343 ( -2.920 3.466 0.000) 4.532 16.433 ( 0.900 -1.543 0.000) 1.786 16.440 ( 0.487 -4.367 0.000) 4.394 16.962 ( 1.467 1.627 0.000) 2.190 16.995 ( 0.480 3.881 0.000) 3.910 17.035 ( 2.156 -1.908 0.000) 2.879 17.146 ( -1.127 -3.462 0.000) 3.641 23.973 ( 2.276 1.930 0.000) 2.984 24.028 ( 2.111 -0.721 0.000) 2.231 24.129 ( -1.242 2.055 0.000) 2.401 24.141 ( -1.468 1.059 0.000) 1.810 24.845 ( -0.013 1.393 0.000) 1.393 24.853 ( -0.147 1.034 0.000) 1.045 25.027 ( 1.968 -8.574 0.000) 8.797 25.121 ( -0.529 -12.987 0.000) 12.998 27.049 ( 1.251 21.669 0.000) 21.705 27.174 ( -1.847 18.628 0.000) 18.720 27.688 ( 0.625 -9.535 0.000) 9.556 27.721 ( -0.188 -8.584 0.000) 8.586 28.055 ( -0.037 0.800 0.000) 0.801 28.134 ( 2.627 -3.453 0.000) 4.339 28.203 ( -4.191 1.047 0.000) 4.320 28.311 ( -2.047 -4.500 0.000) 4.944 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.554 ( 11.861 31.721 0.000) 33.866 2.781 ( -7.636 28.664 0.000) 29.664 3.169 ( 3.105 30.856 0.000) 31.012 3.405 ( -17.217 26.971 0.000) 31.998 3.806 ( 2.109 -26.729 0.000) 26.813 3.871 ( -4.365 -24.192 0.000) 24.583 4.597 ( 10.261 -8.078 0.000) 13.059 4.603 ( 7.484 -30.623 0.000) 31.525 4.864 ( 2.171 23.517 0.000) 23.617 4.882 ( 0.444 23.937 0.000) 23.941 5.524 ( 2.787 -6.984 0.000) 7.519 5.669 ( -10.786 -11.759 0.000) 15.957 5.746 ( 10.328 8.622 0.000) 13.454 6.014 ( -18.849 23.814 0.000) 30.371 6.462 ( 6.137 15.051 0.000) 16.254 6.552 ( -3.017 16.564 0.000) 16.836 6.707 ( 14.222 -3.841 0.000) 14.731 6.821 ( 10.404 -29.946 0.000) 31.702 7.005 ( -9.478 0.604 0.000) 9.497 7.078 ( -6.594 -11.236 0.000) 13.028 7.207 ( 1.151 5.155 0.000) 5.282 7.267 ( -4.876 3.312 0.000) 5.894 7.354 ( -1.436 -4.310 0.000) 4.543 7.354 ( -3.682 -7.299 0.000) 8.175 7.942 ( 6.889 13.477 0.000) 15.135 8.057 ( -5.469 10.758 0.000) 12.069 8.200 ( 2.292 2.080 0.000) 3.095 8.247 ( -2.306 -0.991 0.000) 2.510 8.680 ( 3.146 -3.313 0.000) 4.569 8.744 ( -2.967 -1.820 0.000) 3.481 8.780 ( 2.410 -3.846 0.000) 4.539 8.831 ( -3.556 -2.354 0.000) 4.265 8.995 ( 4.503 2.365 0.000) 5.086 9.066 ( -3.640 -2.267 0.000) 4.288 9.271 ( 0.220 -7.177 0.000) 7.180 9.273 ( -0.026 -8.194 0.000) 8.194 9.792 ( 1.488 9.010 0.000) 9.132 9.793 ( 1.291 10.973 0.000) 11.049 9.874 ( 3.935 3.745 0.000) 5.433 9.929 ( -2.167 4.990 0.000) 5.440 10.307 ( 0.044 -8.531 0.000) 8.531 10.311 ( -0.393 -8.262 0.000) 8.271 10.402 ( 1.323 -15.065 0.000) 15.123 10.412 ( 0.168 -13.667 0.000) 13.668 11.810 ( 2.170 1.298 0.000) 2.529 11.831 ( -0.413 1.651 0.000) 1.702 11.842 ( 1.724 -0.415 0.000) 1.774 11.869 ( -0.743 -0.018 0.000) 0.744 12.529 ( 3.844 9.474 0.000) 10.224 12.621 ( -5.899 6.359 0.000) 8.674 12.764 ( 2.381 -4.921 0.000) 5.467 12.808 ( -2.276 -4.602 0.000) 5.134 13.189 ( 4.282 4.692 0.000) 6.352 13.272 ( -4.641 5.806 0.000) 7.432 13.585 ( 4.130 -12.316 0.000) 12.990 13.664 ( -4.416 -11.486 0.000) 12.305 14.750 ( 5.849 10.591 0.000) 12.099 14.882 ( -8.435 9.877 0.000) 12.989 15.127 ( 3.625 -5.891 0.000) 6.917 15.196 ( -3.714 -4.614 0.000) 5.923 16.249 ( 1.233 5.575 0.000) 5.709 16.288 ( -2.876 4.812 0.000) 5.606 16.444 ( 0.300 -3.234 0.000) 3.248 16.445 ( 0.130 -4.354 0.000) 4.356 16.989 ( 1.270 2.001 0.000) 2.369 17.001 ( -0.047 2.866 0.000) 2.867 17.078 ( 2.361 -2.264 0.000) 3.271 17.117 ( -1.950 -2.801 0.000) 3.413 24.026 ( 3.432 1.910 0.000) 3.928 24.072 ( 2.491 -0.304 0.000) 2.509 24.088 ( -3.096 1.832 0.000) 3.597 24.111 ( -1.851 0.570 0.000) 1.937 24.846 ( 0.137 1.562 0.000) 1.568 24.849 ( -0.202 1.395 0.000) 1.410 25.068 ( 2.322 -10.411 0.000) 10.667 25.104 ( -1.468 -12.017 0.000) 12.106 27.083 ( 2.358 21.092 0.000) 21.223 27.130 ( -2.738 19.949 0.000) 20.136 27.702 ( 0.817 -9.541 0.000) 9.576 27.715 ( -0.535 -9.194 0.000) 9.209 28.069 ( 1.823 2.131 0.000) 2.804 28.123 ( -4.059 2.417 0.000) 4.725 28.192 ( 3.613 -4.268 0.000) 5.592 28.258 ( -3.526 -4.595 0.000) 5.792 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.150 ( 0.000 -36.987 0.000) 36.987 3.150 ( 0.000 36.987 0.000) 36.987 3.500 ( 0.000 -40.402 0.000) 40.402 3.500 ( 0.000 40.402 0.000) 40.402 3.794 ( 0.000 -3.013 0.000) 3.013 3.794 ( 0.000 3.013 0.000) 3.013 4.144 ( 0.000 -9.866 0.000) 9.866 4.144 ( 0.000 9.866 0.000) 9.866 5.383 ( 0.000 -26.193 0.000) 26.193 5.383 ( 0.000 26.193 0.000) 26.193 5.403 ( 0.000 -4.094 0.000) 4.094 5.403 ( 0.000 4.094 0.000) 4.094 5.736 ( 0.000 -47.048 0.000) 47.048 5.736 ( 0.000 47.048 0.000) 47.048 6.243 ( 0.000 -2.673 0.000) 2.673 6.243 ( 0.000 2.673 0.000) 2.673 6.940 ( 0.000 -16.733 0.000) 16.733 6.940 ( 0.000 16.733 0.000) 16.733 7.108 ( 0.000 -5.541 0.000) 5.541 7.108 ( 0.000 5.541 0.000) 5.541 7.361 ( 0.000 -6.242 0.000) 6.242 7.361 ( 0.000 6.242 0.000) 6.242 7.454 ( 0.000 -9.563 0.000) 9.563 7.454 ( 0.000 9.563 0.000) 9.563 8.035 ( 0.000 -16.072 0.000) 16.072 8.035 ( 0.000 16.072 0.000) 16.072 8.209 ( 0.000 -7.179 0.000) 7.179 8.209 ( 0.000 7.179 0.000) 7.179 8.662 ( 0.000 -0.887 0.000) 0.887 8.662 ( 0.000 0.887 0.000) 0.887 8.888 ( 0.000 -0.592 0.000) 0.592 8.888 ( 0.000 0.592 0.000) 0.592 9.058 ( 0.000 -10.496 0.000) 10.496 9.058 ( 0.000 10.496 0.000) 10.496 9.105 ( 0.000 -1.330 0.000) 1.330 9.105 ( 0.000 1.330 0.000) 1.330 9.813 ( 0.000 -1.844 0.000) 1.844 9.813 ( 0.000 1.844 0.000) 1.844 10.024 ( 0.000 -12.181 0.000) 12.181 10.024 ( 0.000 12.181 0.000) 12.181 10.144 ( 0.000 -5.664 0.000) 5.664 10.144 ( 0.000 5.664 0.000) 5.664 10.254 ( 0.000 -2.396 0.000) 2.396 10.254 ( 0.000 2.396 0.000) 2.396 11.771 ( 0.000 -1.788 0.000) 1.788 11.771 ( 0.000 1.788 0.000) 1.788 11.866 ( 0.000 -1.081 0.000) 1.081 11.866 ( 0.000 1.081 0.000) 1.081 12.625 ( 0.000 -5.287 0.000) 5.287 12.625 ( 0.000 5.287 0.000) 5.287 12.789 ( 0.000 -2.615 0.000) 2.615 12.789 ( 0.000 2.615 0.000) 2.615 13.250 ( 0.000 -11.332 0.000) 11.332 13.250 ( 0.000 11.332 0.000) 11.332 13.549 ( 0.000 -10.279 0.000) 10.279 13.549 ( 0.000 10.279 0.000) 10.279 14.869 ( 0.000 -11.350 0.000) 11.350 14.869 ( 0.000 11.350 0.000) 11.350 15.204 ( 0.000 -4.199 0.000) 4.199 15.204 ( 0.000 4.199 0.000) 4.199 16.350 ( 0.000 -4.526 0.000) 4.526 16.350 ( 0.000 4.526 0.000) 4.526 16.407 ( 0.000 -0.775 0.000) 0.775 16.407 ( 0.000 0.775 0.000) 0.775 16.979 ( 0.000 -1.723 0.000) 1.723 16.979 ( 0.000 1.723 0.000) 1.723 17.076 ( 0.000 -4.307 0.000) 4.307 17.076 ( 0.000 4.307 0.000) 4.307 23.985 ( 0.000 -1.456 0.000) 1.456 23.985 ( 0.000 1.456 0.000) 1.456 24.166 ( 0.000 -0.362 0.000) 0.362 24.166 ( 0.000 0.362 0.000) 0.362 24.894 ( 0.000 -3.956 0.000) 3.956 24.894 ( 0.000 3.956 0.000) 3.956 24.925 ( 0.000 -6.795 0.000) 6.795 24.925 ( 0.000 6.795 0.000) 6.795 27.422 ( 0.000 -16.733 0.000) 16.733 27.422 ( 0.000 16.733 0.000) 16.733 27.507 ( 0.000 -13.704 0.000) 13.704 27.507 ( 0.000 13.704 0.000) 13.704 28.068 ( 0.000 -1.103 0.000) 1.103 28.068 ( 0.000 1.103 0.000) 1.103 28.264 ( 0.000 -2.028 0.000) 2.028 28.264 ( 0.000 2.028 0.000) 2.028 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -0.060 -35.643 0.000) 35.643 3.142 ( -0.060 35.643 0.000) 35.643 3.464 ( -5.136 -29.432 0.000) 29.877 3.464 ( -5.136 29.432 0.000) 29.877 3.797 ( 2.109 -24.550 0.000) 24.640 3.797 ( 2.109 24.550 0.000) 24.640 4.126 ( -2.491 -20.496 0.000) 20.646 4.126 ( -2.491 20.496 0.000) 20.646 5.371 ( -0.886 -25.685 0.000) 25.700 5.371 ( -0.886 25.685 0.000) 25.700 5.402 ( -0.707 -8.327 0.000) 8.357 5.402 ( -0.707 8.327 0.000) 8.357 5.838 ( 11.781 -40.886 0.000) 42.550 5.838 ( 11.781 40.886 0.000) 42.550 6.339 ( 9.113 -6.857 0.000) 11.405 6.339 ( 9.113 6.857 0.000) 11.405 6.932 ( -1.451 -15.959 0.000) 16.024 6.932 ( -1.451 15.959 0.000) 16.024 7.015 ( -11.168 -13.885 0.000) 17.819 7.015 ( -11.168 13.885 0.000) 17.819 7.337 ( -2.328 -5.254 0.000) 5.747 7.337 ( -2.328 5.254 0.000) 5.747 7.369 ( -5.887 -5.878 0.000) 8.319 7.369 ( -5.887 5.878 0.000) 8.319 8.095 ( 4.855 -13.221 0.000) 14.084 8.095 ( 4.855 13.221 0.000) 14.084 8.210 ( -0.053 -5.071 0.000) 5.072 8.210 ( -0.053 5.071 0.000) 5.072 8.659 ( 0.110 -2.781 0.000) 2.783 8.659 ( 0.110 2.781 0.000) 2.783 8.845 ( -4.312 -3.820 0.000) 5.761 8.845 ( -4.312 3.820 0.000) 5.761 9.077 ( 1.694 -9.487 0.000) 9.637 9.077 ( 1.694 9.487 0.000) 9.637 9.111 ( 0.446 -5.464 0.000) 5.483 9.111 ( 0.446 5.464 0.000) 5.483 9.853 ( 4.010 -0.975 0.000) 4.127 9.853 ( 4.010 0.975 0.000) 4.127 10.025 ( -0.203 -9.688 0.000) 9.690 10.025 ( -0.203 9.688 0.000) 9.690 10.150 ( 0.816 -3.519 0.000) 3.613 10.150 ( 0.816 3.519 0.000) 3.613 10.244 ( -1.086 -2.620 0.000) 2.836 10.244 ( -1.086 2.620 0.000) 2.836 11.791 ( 1.961 -1.373 0.000) 2.394 11.791 ( 1.961 1.373 0.000) 2.394 11.865 ( -0.095 -1.099 0.000) 1.103 11.865 ( -0.095 1.099 0.000) 1.103 12.634 ( 1.088 -5.412 0.000) 5.520 12.634 ( 1.088 5.412 0.000) 5.520 12.770 ( -2.010 -3.137 0.000) 3.726 12.770 ( -2.010 3.137 0.000) 3.726 13.277 ( 2.932 -11.161 0.000) 11.540 13.277 ( 2.932 11.161 0.000) 11.540 13.518 ( -3.261 -10.417 0.000) 10.915 13.518 ( -3.261 10.417 0.000) 10.915 14.894 ( 2.715 -11.131 0.000) 11.457 14.894 ( 2.715 11.131 0.000) 11.457 15.162 ( -4.268 -5.733 0.000) 7.147 15.162 ( -4.268 5.733 0.000) 7.147 16.348 ( -0.063 -4.944 0.000) 4.944 16.348 ( -0.063 4.944 0.000) 4.944 16.397 ( -1.067 -2.162 0.000) 2.411 16.397 ( -1.067 2.162 0.000) 2.411 16.997 ( 1.753 -1.917 0.000) 2.598 16.997 ( 1.753 1.917 0.000) 2.598 17.072 ( -0.416 -3.895 0.000) 3.917 17.072 ( -0.416 3.895 0.000) 3.917 24.007 ( 2.240 -1.432 0.000) 2.658 24.007 ( 2.240 1.432 0.000) 2.658 24.152 ( -1.531 -0.200 0.000) 1.544 24.152 ( -1.531 0.200 0.000) 1.544 24.900 ( 0.604 -4.451 0.000) 4.492 24.900 ( 0.604 4.451 0.000) 4.492 24.925 ( -0.030 -6.720 0.000) 6.720 24.925 ( -0.030 6.720 0.000) 6.720 27.430 ( 0.851 -16.558 0.000) 16.580 27.430 ( 0.851 16.558 0.000) 16.580 27.499 ( -0.873 -14.086 0.000) 14.113 27.499 ( -0.873 14.086 0.000) 14.113 28.081 ( 1.383 -1.955 0.000) 2.395 28.081 ( 1.383 1.955 0.000) 2.395 28.238 ( -2.702 -2.701 0.000) 3.821 28.238 ( -2.702 2.701 0.000) 3.821 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.182 ( 5.007 -31.373 0.000) 31.770 3.182 ( 5.007 31.373 0.000) 31.770 3.319 ( -9.275 -25.144 0.000) 26.800 3.319 ( -9.275 25.144 0.000) 26.800 3.895 ( 7.877 -35.274 0.000) 36.143 3.895 ( 7.877 35.274 0.000) 36.143 4.039 ( -7.040 -31.918 0.000) 32.686 4.039 ( -7.040 31.918 0.000) 32.686 5.363 ( 0.146 -20.049 0.000) 20.049 5.363 ( 0.146 20.049 0.000) 20.049 5.378 ( -1.428 -12.505 0.000) 12.586 5.378 ( -1.428 12.505 0.000) 12.586 6.143 ( 20.368 -33.099 0.000) 38.864 6.143 ( 20.368 33.099 0.000) 38.864 6.443 ( -5.182 -19.446 0.000) 20.125 6.443 ( -5.182 19.446 0.000) 20.125 6.793 ( -5.116 -16.056 0.000) 16.852 6.793 ( -5.116 16.056 0.000) 16.852 6.864 ( -6.150 -13.101 0.000) 14.473 6.864 ( -6.150 13.101 0.000) 14.473 7.301 ( -1.037 -3.081 0.000) 3.251 7.301 ( -1.037 3.081 0.000) 3.251 7.306 ( -1.548 -0.822 0.000) 1.753 7.306 ( -1.548 0.822 0.000) 1.753 8.168 ( 2.915 -7.908 0.000) 8.428 8.168 ( 2.915 7.908 0.000) 8.428 8.202 ( -1.000 -3.337 0.000) 3.484 8.202 ( -1.000 3.337 0.000) 3.484 8.683 ( 2.783 -4.008 0.000) 4.880 8.683 ( 2.783 4.008 0.000) 4.880 8.756 ( -4.928 -3.807 0.000) 6.227 8.756 ( -4.928 3.807 0.000) 6.227 9.104 ( 1.137 -7.944 0.000) 8.025 9.104 ( 1.137 7.944 0.000) 8.025 9.115 ( -0.119 -6.966 0.000) 6.967 9.115 ( -0.119 6.966 0.000) 6.967 9.935 ( 4.551 -1.516 0.000) 4.797 9.935 ( 4.551 1.516 0.000) 4.797 10.002 ( -2.547 -4.439 0.000) 5.118 10.002 ( -2.547 4.439 0.000) 5.118 10.177 ( 2.052 -1.159 0.000) 2.356 10.177 ( 2.052 1.159 0.000) 2.356 10.216 ( -1.972 -2.711 0.000) 3.353 10.216 ( -1.972 2.711 0.000) 3.353 11.830 ( 2.065 -0.792 0.000) 2.212 11.830 ( 2.065 0.792 0.000) 2.212 11.858 ( -0.893 -1.030 0.000) 1.363 11.858 ( -0.893 1.030 0.000) 1.363 12.667 ( 2.567 -5.329 0.000) 5.915 12.667 ( 2.567 5.329 0.000) 5.915 12.721 ( -3.134 -4.376 0.000) 5.382 12.721 ( -3.134 4.376 0.000) 5.382 13.349 ( 4.786 -10.898 0.000) 11.903 13.349 ( 4.786 10.898 0.000) 11.903 13.440 ( -5.017 -10.684 0.000) 11.803 13.440 ( -5.017 10.684 0.000) 11.803 14.964 ( 4.973 -10.264 0.000) 11.405 14.964 ( 4.973 10.264 0.000) 11.405 15.066 ( -5.914 -8.372 0.000) 10.250 15.066 ( -5.914 8.372 0.000) 10.250 16.353 ( 0.738 -4.981 0.000) 5.035 16.353 ( 0.738 4.981 0.000) 5.035 16.373 ( -1.367 -3.902 0.000) 4.134 16.373 ( -1.367 3.902 0.000) 4.134 17.032 ( 1.869 -2.317 0.000) 2.977 17.032 ( 1.869 2.317 0.000) 2.977 17.059 ( -1.110 -3.016 0.000) 3.214 17.059 ( -1.110 3.016 0.000) 3.214 24.058 ( 3.164 -1.173 0.000) 3.374 24.058 ( 3.164 1.173 0.000) 3.374 24.113 ( -2.736 -0.596 0.000) 2.800 24.113 ( -2.736 0.596 0.000) 2.800 24.913 ( 0.692 -5.480 0.000) 5.524 24.913 ( 0.692 5.480 0.000) 5.524 24.922 ( -0.335 -6.334 0.000) 6.342 24.922 ( -0.335 6.334 0.000) 6.342 27.451 ( 1.404 -15.970 0.000) 16.032 27.451 ( 1.404 15.970 0.000) 16.032 27.477 ( -1.418 -15.013 0.000) 15.080 27.477 ( -1.418 15.013 0.000) 15.080 28.119 ( 2.782 -3.067 0.000) 4.141 28.119 ( 2.782 3.067 0.000) 4.141 28.178 ( -3.588 -3.397 0.000) 4.941 28.178 ( -3.588 3.397 0.000) 4.941 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( 0.000 0.000 45.188) 45.188 0.952 ( 0.000 0.000 45.351) 45.351 1.771 ( 0.000 0.000 83.862) 83.862 2.858 ( 0.000 0.000 9.707) 9.707 3.792 ( 0.000 0.000 17.159) 17.159 4.046 ( 0.000 0.000 -19.501) 19.501 4.182 ( 0.000 0.000 4.917) 4.917 4.896 ( 0.000 0.000 3.776) 3.776 5.059 ( 0.000 0.000 1.111) 1.111 5.460 ( 0.000 0.000 23.446) 23.446 5.596 ( 0.000 0.000 -8.238) 8.238 5.755 ( 0.000 0.000 -6.266) 6.266 5.994 ( 0.000 0.000 0.346) 0.346 6.008 ( 0.000 0.000 -2.054) 2.054 6.036 ( 0.000 0.000 -9.875) 9.875 6.221 ( 0.000 0.000 0.279) 0.279 6.227 ( 0.000 0.000 -9.916) 9.916 6.411 ( 0.000 0.000 5.634) 5.634 6.882 ( 0.000 0.000 -0.945) 0.945 7.115 ( 0.000 0.000 -9.037) 9.037 7.211 ( 0.000 0.000 9.533) 9.533 7.497 ( 0.000 0.000 -8.677) 8.677 7.592 ( 0.000 0.000 2.110) 2.110 7.695 ( 0.000 0.000 5.492) 5.492 7.877 ( 0.000 0.000 -10.101) 10.101 7.883 ( 0.000 0.000 -4.066) 4.066 7.955 ( 0.000 0.000 -6.630) 6.630 8.057 ( 0.000 0.000 -11.204) 11.204 8.085 ( 0.000 0.000 -7.246) 7.246 8.632 ( 0.000 0.000 -14.618) 14.618 8.646 ( 0.000 0.000 -3.497) 3.497 8.939 ( 0.000 0.000 -1.157) 1.157 9.125 ( 0.000 0.000 9.680) 9.680 9.281 ( 0.000 0.000 -2.348) 2.348 9.340 ( 0.000 0.000 -10.409) 10.409 9.354 ( 0.000 0.000 11.876) 11.876 9.390 ( 0.000 0.000 -18.421) 18.421 9.709 ( 0.000 0.000 -12.051) 12.051 9.760 ( 0.000 0.000 -6.649) 6.649 10.141 ( 0.000 0.000 10.578) 10.578 10.410 ( 0.000 0.000 -8.311) 8.311 10.506 ( 0.000 0.000 -7.832) 7.832 10.749 ( 0.000 0.000 -11.380) 11.380 11.524 ( 0.000 0.000 1.853) 1.853 11.568 ( 0.000 0.000 0.263) 0.263 11.573 ( 0.000 0.000 -13.356) 13.356 11.932 ( 0.000 0.000 14.145) 14.145 12.027 ( 0.000 0.000 21.027) 21.027 12.078 ( 0.000 0.000 13.410) 13.410 12.170 ( 0.000 0.000 18.457) 18.457 12.814 ( 0.000 0.000 4.542) 4.542 13.032 ( 0.000 0.000 -0.153) 0.153 13.137 ( 0.000 0.000 5.013) 5.013 13.157 ( 0.000 0.000 -0.078) 0.078 14.073 ( 0.000 0.000 -3.797) 3.797 14.570 ( 0.000 0.000 2.025) 2.025 14.713 ( 0.000 0.000 0.895) 0.895 14.871 ( 0.000 0.000 -3.969) 3.969 14.988 ( 0.000 0.000 -10.111) 10.111 15.172 ( 0.000 0.000 -8.277) 8.277 15.501 ( 0.000 0.000 -0.039) 0.039 16.108 ( 0.000 0.000 1.489) 1.489 16.376 ( 0.000 0.000 -1.477) 1.477 16.541 ( 0.000 0.000 -2.540) 2.540 16.870 ( 0.000 0.000 -2.768) 2.768 16.957 ( 0.000 0.000 -8.835) 8.835 17.215 ( 0.000 0.000 -5.672) 5.672 17.929 ( 0.000 0.000 -0.336) 0.336 23.911 ( 0.000 0.000 3.013) 3.013 24.029 ( 0.000 0.000 1.002) 1.002 24.057 ( 0.000 0.000 0.940) 0.940 24.175 ( 0.000 0.000 3.474) 3.474 24.885 ( 0.000 0.000 3.508) 3.508 24.991 ( 0.000 0.000 2.366) 2.366 25.571 ( 0.000 0.000 -1.195) 1.195 25.631 ( 0.000 0.000 0.188) 0.188 25.856 ( 0.000 0.000 1.419) 1.419 25.985 ( 0.000 0.000 -1.818) 1.818 26.236 ( 0.000 0.000 -0.625) 0.625 27.562 ( 0.000 0.000 -19.493) 19.493 28.117 ( 0.000 0.000 4.304) 4.304 28.164 ( 0.000 0.000 11.704) 11.704 28.493 ( 0.000 0.000 17.212) 17.212 30.567 ( 0.000 0.000 -2.067) 2.067 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 23.759 0.000 35.388) 42.624 1.227 ( 27.312 0.000 33.797) 43.453 2.153 ( 37.030 0.000 66.363) 75.995 2.670 ( -19.120 0.000 11.754) 22.444 3.255 ( -35.334 0.000 7.969) 36.221 4.325 ( 14.414 0.000 3.259) 14.778 4.478 ( 13.283 0.000 -4.721) 14.097 4.725 ( -15.761 0.000 7.023) 17.255 4.989 ( -2.356 0.000 3.782) 4.456 5.267 ( -8.959 0.000 17.011) 19.226 5.455 ( -18.411 0.000 -7.230) 19.780 5.772 ( 7.857 0.000 -3.746) 8.704 6.005 ( 3.744 0.000 -1.664) 4.097 6.058 ( 2.427 0.000 -7.861) 8.227 6.079 ( -3.404 0.000 -9.502) 10.094 6.163 ( 9.015 0.000 -1.193) 9.094 6.483 ( -2.696 0.000 -1.178) 2.942 6.551 ( 19.933 0.000 -5.222) 20.605 6.763 ( -12.627 0.000 -0.145) 12.628 7.063 ( 2.175 0.000 1.939) 2.914 7.237 ( 3.849 0.000 8.072) 8.943 7.419 ( -8.218 0.000 -8.606) 11.900 7.562 ( -7.622 0.000 3.584) 8.422 7.608 ( -0.693 0.000 3.915) 3.976 7.858 ( -0.572 0.000 -6.166) 6.193 7.951 ( 5.585 0.000 -8.940) 10.541 7.967 ( 0.271 0.000 -5.385) 5.392 8.047 ( -0.343 0.000 -9.330) 9.336 8.377 ( 11.934 0.000 -28.351) 30.760 8.579 ( -2.778 0.000 -12.080) 12.395 8.820 ( 13.478 0.000 -11.058) 17.434 8.962 ( 2.409 0.000 -1.563) 2.872 9.130 ( 2.268 0.000 5.043) 5.530 9.194 ( -5.644 0.000 -4.234) 7.056 9.260 ( -8.313 0.000 0.468) 8.326 9.404 ( 0.851 0.000 -3.389) 3.494 9.435 ( 6.399 0.000 -8.525) 10.659 9.690 ( -2.059 0.000 -11.534) 11.716 9.825 ( 5.139 0.000 -4.803) 7.035 10.148 ( -3.193 0.000 8.820) 9.380 10.423 ( 1.376 0.000 -8.395) 8.507 10.500 ( -0.632 0.000 -7.945) 7.970 10.800 ( 10.588 0.000 -8.510) 13.584 11.529 ( 0.487 0.000 1.693) 1.762 11.564 ( -3.647 0.000 -11.035) 11.622 11.565 ( -0.399 0.000 0.423) 0.582 11.948 ( 1.122 0.000 13.556) 13.602 12.040 ( 1.413 0.000 20.759) 20.807 12.067 ( -1.705 0.000 13.311) 13.419 12.156 ( -1.478 0.000 18.667) 18.725 12.912 ( 8.962 0.000 0.939) 9.011 13.043 ( 1.216 0.000 -0.143) 1.224 13.145 ( -1.342 0.000 -0.083) 1.345 13.182 ( 3.415 0.000 1.314) 3.659 14.061 ( -1.098 0.000 -3.323) 3.500 14.473 ( -25.666 0.000 11.240) 28.020 14.583 ( 1.407 0.000 1.938) 2.394 14.698 ( -1.532 0.000 1.026) 1.844 15.013 ( 2.494 0.000 -9.724) 10.039 15.199 ( -1.340 0.000 -5.896) 6.047 15.695 ( 13.109 0.000 -10.936) 17.071 16.085 ( -2.637 0.000 0.017) 2.637 16.393 ( 1.807 0.000 -1.594) 2.409 16.527 ( -1.581 0.000 -2.452) 2.917 16.879 ( 1.414 0.000 -1.386) 1.980 16.987 ( 2.989 0.000 -7.562) 8.131 17.194 ( -2.223 0.000 -5.791) 6.203 17.458 ( -29.704 0.000 21.355) 36.583 23.931 ( 2.164 0.000 2.983) 3.685 24.050 ( -0.299 0.000 1.833) 1.857 24.082 ( 1.978 0.000 -0.983) 2.209 24.163 ( -1.369 0.000 3.017) 3.313 24.892 ( 1.072 0.000 3.244) 3.416 24.986 ( -1.038 0.000 2.827) 3.011 25.645 ( 1.466 0.000 0.198) 1.479 25.812 ( -3.774 0.000 0.744) 3.846 26.032 ( 4.025 0.000 -1.145) 4.185 26.220 ( -1.752 0.000 -0.630) 1.861 26.244 ( 49.083 0.000 -39.589) 63.059 27.505 ( -6.436 0.000 -22.238) 23.151 28.109 ( -0.725 0.000 4.895) 4.949 28.137 ( -2.109 0.000 10.363) 10.575 28.587 ( 9.556 0.000 20.630) 22.736 29.914 ( -47.845 0.000 36.226) 60.012 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 30.287 0.000 23.620) 38.408 1.824 ( 36.509 0.000 19.527) 41.403 2.231 ( -28.155 0.000 16.373) 32.569 2.475 ( -30.509 0.000 13.902) 33.527 3.084 ( 42.497 0.000 44.024) 61.189 3.946 ( -46.321 0.000 31.285) 55.896 4.655 ( 21.124 0.000 0.347) 21.127 4.784 ( 5.157 0.000 -7.366) 8.992 4.896 ( -7.579 0.000 -0.044) 7.579 5.061 ( -23.167 0.000 -2.763) 23.332 5.470 ( 25.780 0.000 4.982) 26.257 5.919 ( -18.629 0.000 1.562) 18.695 5.939 ( 7.276 0.000 -9.855) 12.249 6.022 ( -3.029 0.000 -11.210) 11.612 6.183 ( 12.289 0.000 -1.702) 12.406 6.286 ( 5.808 0.000 -4.383) 7.276 6.369 ( -3.974 0.000 -4.289) 5.847 6.474 ( -17.765 0.000 0.487) 17.772 6.903 ( 18.444 0.000 -6.551) 19.573 7.202 ( -14.130 0.000 -6.595) 15.594 7.224 ( 11.598 0.000 5.654) 12.903 7.362 ( 8.050 0.000 4.545) 9.245 7.415 ( -9.187 0.000 3.152) 9.713 7.519 ( -8.134 0.000 4.396) 9.246 7.895 ( 3.537 0.000 -5.610) 6.632 7.950 ( -2.181 0.000 -4.985) 5.441 8.022 ( 2.082 0.000 -7.911) 8.180 8.041 ( -0.450 0.000 -8.053) 8.066 8.490 ( 3.289 0.000 -21.997) 22.242 8.535 ( -2.151 0.000 -16.296) 16.438 8.981 ( 5.587 0.000 -8.172) 9.900 9.020 ( 3.872 0.000 -2.488) 4.602 9.097 ( -7.624 0.000 -6.323) 9.905 9.099 ( -4.828 0.000 -3.500) 5.963 9.258 ( 8.500 0.000 1.232) 8.589 9.380 ( -4.091 0.000 -2.343) 4.714 9.545 ( 5.678 0.000 -9.284) 10.882 9.635 ( -4.077 0.000 -10.408) 11.178 9.922 ( 5.691 0.000 -0.573) 5.719 10.036 ( -7.008 0.000 4.512) 8.335 10.453 ( 1.793 0.000 -8.420) 8.609 10.482 ( -1.336 0.000 -8.211) 8.319 11.098 ( 18.848 0.000 -5.273) 19.571 11.404 ( -13.760 0.000 -5.859) 14.955 11.540 ( 0.771 0.000 1.297) 1.508 11.554 ( -0.716 0.000 0.822) 1.090 11.973 ( 1.959 0.000 13.182) 13.327 12.020 ( -2.982 0.000 13.316) 13.645 12.075 ( 2.359 0.000 20.067) 20.205 12.120 ( -2.396 0.000 19.261) 19.409 13.074 ( 2.028 0.000 -0.120) 2.031 13.080 ( 8.739 0.000 1.598) 8.884 13.112 ( -2.106 0.000 -0.098) 2.109 13.195 ( -3.012 0.000 0.701) 3.093 14.053 ( 1.100 0.000 -1.049) 1.520 14.145 ( -10.506 0.000 5.904) 12.052 14.618 ( 2.322 0.000 1.690) 2.872 14.662 ( -2.398 0.000 1.344) 2.749 15.073 ( 3.979 0.000 -8.543) 9.424 15.147 ( -3.855 0.000 -6.766) 7.788 15.887 ( 8.409 0.000 -8.532) 11.979 16.011 ( -5.512 0.000 -3.625) 6.597 16.436 ( 2.795 0.000 -1.883) 3.370 16.487 ( -2.657 0.000 -2.209) 3.455 16.935 ( 5.023 0.000 3.715) 6.248 17.039 ( -0.454 0.000 -0.124) 0.471 17.111 ( -7.559 0.000 6.234) 9.798 17.141 ( -3.771 0.000 -5.715) 6.847 23.981 ( 3.076 0.000 2.872) 4.208 24.030 ( -2.000 0.000 2.367) 3.099 24.106 ( 1.172 0.000 0.596) 1.315 24.132 ( -1.738 0.000 1.959) 2.619 24.920 ( 1.956 0.000 3.094) 3.660 24.957 ( -1.961 0.000 3.046) 3.623 25.683 ( 2.757 0.000 0.242) 2.767 25.742 ( -3.681 0.000 0.373) 3.700 26.108 ( 4.105 0.000 -0.782) 4.179 26.175 ( -3.201 0.000 -0.662) 3.269 26.941 ( 28.139 0.000 -40.513) 49.326 27.317 ( -14.824 0.000 -29.871) 33.347 28.099 ( -0.152 0.000 6.654) 6.655 28.107 ( -1.066 0.000 8.017) 8.088 28.824 ( 16.866 0.000 28.590) 33.194 29.223 ( -28.626 0.000 38.663) 48.107 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.211 ( 0.000 23.936 32.902) 40.688 1.371 ( 0.000 31.817 34.324) 46.802 2.253 ( 0.000 46.138 61.849) 77.162 3.072 ( 0.000 20.159 10.485) 22.722 3.814 ( 0.000 2.564 17.313) 17.502 3.914 ( 0.000 -5.856 -12.116) 13.457 4.349 ( 0.000 7.189 4.141) 8.297 4.792 ( 0.000 -9.250 3.307) 9.823 4.891 ( 0.000 -14.255 0.081) 14.255 5.482 ( 0.000 -12.180 -4.867) 13.117 5.558 ( 0.000 14.619 16.823) 22.287 5.866 ( 0.000 -9.518 -1.798) 9.686 5.867 ( 0.000 10.151 -6.376) 11.988 6.000 ( 0.000 0.581 -0.660) 0.879 6.103 ( 0.000 6.234 -8.910) 10.874 6.281 ( 0.000 -8.626 -21.639) 23.295 6.321 ( 0.000 9.211 -3.275) 9.775 6.601 ( 0.000 15.652 6.777) 17.056 6.898 ( 0.000 -1.375 0.709) 1.547 7.062 ( 0.000 1.449 3.758) 4.027 7.287 ( 0.000 5.248 2.401) 5.771 7.340 ( 0.000 -10.801 -6.688) 12.704 7.565 ( 0.000 -3.376 1.279) 3.610 7.710 ( 0.000 -12.168 -6.141) 13.629 7.750 ( 0.000 2.697 -5.944) 6.527 8.028 ( 0.000 7.036 -9.456) 11.787 8.043 ( 0.000 -2.183 -5.586) 5.997 8.088 ( 0.000 12.343 -4.437) 13.116 8.128 ( 0.000 5.309 -10.496) 11.762 8.652 ( 0.000 1.987 -12.728) 12.882 8.655 ( 0.000 1.115 -1.101) 1.567 8.937 ( 0.000 -1.922 -4.129) 4.555 9.103 ( 0.000 -4.163 10.373) 11.177 9.221 ( 0.000 -3.003 -9.860) 10.307 9.291 ( 0.000 -3.287 5.727) 6.604 9.393 ( 0.000 4.856 -5.438) 7.291 9.414 ( 0.000 1.859 -11.893) 12.037 9.656 ( 0.000 -4.922 6.013) 7.770 9.717 ( 0.000 0.509 -8.464) 8.480 10.035 ( 0.000 -9.300 4.616) 10.383 10.424 ( 0.000 0.082 -7.778) 7.779 10.503 ( 0.000 -1.190 -4.605) 4.756 10.687 ( 0.000 -6.111 -10.762) 12.376 10.945 ( 0.000 -19.817 13.477) 23.965 11.561 ( 0.000 3.281 1.294) 3.527 11.851 ( 0.000 -4.729 9.226) 10.367 12.037 ( 0.000 9.299 3.595) 9.969 12.046 ( 0.000 1.426 18.504) 18.559 12.130 ( 0.000 5.319 11.609) 12.770 12.438 ( 0.000 11.871 -14.566) 18.790 12.828 ( 0.000 1.566 6.385) 6.575 13.015 ( 0.000 -1.763 0.209) 1.775 13.137 ( 0.000 -1.940 -0.232) 1.954 13.214 ( 0.000 6.238 2.503) 6.722 14.041 ( 0.000 -3.142 -2.689) 4.136 14.289 ( 0.000 -18.809 13.657) 23.244 14.640 ( 0.000 -5.765 2.142) 6.150 14.898 ( 0.000 2.647 -3.966) 4.768 15.024 ( 0.000 2.023 -8.626) 8.860 15.202 ( 0.000 1.590 -7.306) 7.477 15.690 ( 0.000 13.171 -14.350) 19.478 16.156 ( 0.000 3.873 -1.741) 4.246 16.381 ( 0.000 0.054 -3.343) 3.343 16.526 ( 0.000 -1.508 -2.211) 2.676 16.879 ( 0.000 0.889 -2.053) 2.238 16.960 ( 0.000 0.242 -8.060) 8.064 17.202 ( 0.000 -1.251 -5.484) 5.625 17.435 ( 0.000 -26.449 21.313) 33.968 23.920 ( 0.000 0.913 2.944) 3.082 24.029 ( 0.000 0.049 1.091) 1.092 24.069 ( 0.000 1.425 1.570) 2.120 24.172 ( 0.000 -0.215 3.491) 3.497 24.879 ( 0.000 -0.514 3.341) 3.381 24.955 ( 0.000 -2.967 2.444) 3.844 25.431 ( 0.000 -11.170 -0.055) 11.170 25.720 ( 0.000 -11.388 0.444) 11.397 26.155 ( 0.000 15.863 -2.539) 16.064 26.419 ( 0.000 15.471 -2.214) 15.629 26.487 ( 0.000 48.940 -43.672) 65.592 27.599 ( 0.000 3.290 -18.839) 19.124 28.125 ( 0.000 0.919 5.210) 5.290 28.147 ( 0.000 -1.605 11.813) 11.921 28.471 ( 0.000 -2.218 16.357) 16.507 29.925 ( 0.000 -42.721 33.379) 54.215 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 17.399 20.118 30.129) 40.190 1.586 ( 21.221 26.769 29.797) 45.330 2.554 ( 26.686 37.996 47.836) 66.664 2.874 ( -16.558 18.995 15.703) 29.691 3.318 ( -32.779 6.966 6.967) 34.228 4.166 ( 10.178 -6.318 5.970) 13.385 4.608 ( 9.969 -1.354 -4.649) 11.083 4.766 ( 4.681 4.586 4.997) 8.241 4.827 ( -3.583 -14.885 2.546) 15.520 5.336 ( -16.576 12.862 15.653) 26.177 5.499 ( -5.250 -1.643 -6.938) 8.854 5.697 ( -3.351 -4.074 0.161) 5.277 5.988 ( 5.535 -0.729 -3.518) 6.599 6.073 ( 4.145 1.908 -3.451) 5.721 6.116 ( -0.156 0.366 -7.444) 7.455 6.176 ( -3.888 -1.623 -12.634) 13.318 6.467 ( 0.433 -0.262 -2.606) 2.654 6.580 ( 6.914 3.195 -2.777) 8.107 6.841 ( -10.413 7.570 -0.834) 12.901 7.077 ( 5.792 1.363 5.077) 7.821 7.246 ( 0.297 -0.993 4.525) 4.643 7.385 ( 0.175 1.428 -6.411) 6.570 7.584 ( -0.610 -2.909 1.837) 3.494 7.653 ( -5.359 4.101 -2.989) 7.381 7.735 ( 1.520 -10.693 -2.579) 11.104 7.909 ( -5.947 0.749 -4.381) 7.424 8.053 ( 0.905 0.215 -6.848) 6.911 8.073 ( 2.898 6.258 -8.724) 11.120 8.411 ( 10.957 3.834 -22.595) 25.403 8.597 ( -2.723 1.731 -11.381) 11.830 8.785 ( 10.139 -1.532 -4.007) 11.009 8.965 ( 2.839 -2.105 -4.260) 5.535 9.087 ( -1.273 -5.563 6.524) 8.668 9.150 ( -4.692 -1.482 -9.191) 10.425 9.295 ( -2.034 1.558 7.042) 7.493 9.382 ( -1.045 1.008 -5.781) 5.961 9.464 ( 6.156 2.703 -8.282) 10.667 9.668 ( 0.391 -2.793 -1.882) 3.390 9.762 ( 3.838 -2.442 -7.215) 8.529 10.011 ( -3.092 -10.793 4.092) 11.949 10.440 ( 0.688 -0.453 -6.826) 6.876 10.492 ( -1.412 -1.190 -5.240) 5.555 10.732 ( 8.376 -6.666 -7.726) 13.201 11.024 ( 5.157 -20.392 7.661) 22.385 11.582 ( 2.506 4.344 1.169) 5.149 11.858 ( -0.300 -4.598 7.320) 8.649 12.006 ( -1.536 11.122 4.819) 12.219 12.064 ( 1.193 1.511 17.285) 17.392 12.121 ( -1.226 5.449 11.437) 12.728 12.336 ( -9.077 10.471 -2.589) 14.098 12.911 ( 7.217 -0.030 4.285) 8.394 13.025 ( 1.114 -1.979 0.692) 2.375 13.125 ( -0.774 -1.273 -0.749) 1.667 13.242 ( 1.749 4.421 1.439) 4.967 14.028 ( -1.249 -3.315 -2.071) 4.104 14.228 ( -7.071 -15.497 13.490) 21.729 14.629 ( -1.192 -5.107 1.935) 5.590 14.715 ( -11.337 6.661 -1.538) 13.239 15.050 ( 2.271 2.553 -8.228) 8.910 15.209 ( -0.956 0.824 -6.091) 6.221 15.789 ( 8.131 7.866 -13.736) 17.795 16.124 ( -3.287 3.378 -2.388) 5.284 16.397 ( 1.528 -0.117 -3.862) 4.155 16.510 ( -1.664 -1.614 -2.551) 3.447 16.894 ( 1.901 1.378 -0.600) 2.423 16.986 ( 2.649 -0.118 -6.968) 7.455 17.182 ( -2.171 -1.212 -5.577) 6.106 17.275 ( -12.638 -12.211 18.398) 25.442 23.940 ( 2.190 0.945 2.959) 3.801 24.063 ( 2.071 -0.267 0.938) 2.289 24.065 ( -0.148 0.767 1.332) 1.544 24.157 ( -1.495 -0.330 3.176) 3.526 24.881 ( 0.508 -0.792 3.312) 3.443 24.950 ( -0.744 -2.860 2.876) 4.123 25.504 ( 5.743 -12.927 -0.160) 14.146 25.705 ( -1.733 -10.948 0.573) 11.099 26.175 ( 2.025 14.941 -2.440) 15.274 26.337 ( -3.590 17.669 -6.236) 19.078 26.761 ( 21.178 30.288 -40.291) 54.674 27.551 ( -5.435 3.923 -21.079) 22.119 28.116 ( -1.002 0.672 5.956) 6.077 28.125 ( -1.548 -0.927 10.159) 10.318 28.556 ( 8.729 -3.056 19.551) 21.628 29.592 ( -28.598 -25.350 39.347) 54.851 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 28.444 12.945 22.802) 38.686 2.052 ( 25.875 17.845 22.605) 38.716 2.373 ( -23.958 15.313 14.103) 31.739 2.681 ( -32.763 16.959 11.589) 38.670 3.322 ( 40.895 24.986 37.469) 60.832 4.020 ( -30.358 9.245 23.605) 39.551 4.624 ( 5.486 -10.349 -3.953) 12.362 4.732 ( -5.033 -13.179 -0.498) 14.116 4.958 ( 6.686 19.798 1.365) 20.941 5.204 ( -16.614 11.325 0.674) 20.118 5.415 ( 21.614 -2.837 3.837) 22.135 5.782 ( -2.332 -13.252 0.303) 13.459 5.919 ( -7.441 -4.977 -7.394) 11.611 6.014 ( -6.086 -5.189 -9.139) 12.145 6.160 ( 3.544 -0.994 -3.816) 5.302 6.188 ( 1.287 -2.393 -3.856) 4.717 6.442 ( 4.874 6.180 -2.157) 8.161 6.608 ( -12.066 10.003 -0.648) 15.686 6.849 ( 15.312 -1.324 -7.437) 17.074 7.080 ( -8.274 -3.536 -4.978) 10.283 7.333 ( 7.441 -1.696 5.636) 9.487 7.395 ( 2.561 6.861 0.022) 7.323 7.511 ( -4.874 1.132 0.749) 5.060 7.553 ( -6.185 8.468 2.444) 10.768 7.787 ( 3.277 -9.597 -3.499) 10.728 7.840 ( -2.715 -6.751 -5.133) 8.905 8.078 ( 1.721 2.373 -5.661) 6.375 8.100 ( -0.158 4.322 -6.499) 7.807 8.517 ( 2.979 2.949 -19.028) 19.485 8.556 ( -1.858 2.207 -15.334) 15.604 8.923 ( 4.850 -2.859 -3.458) 6.607 8.998 ( -2.534 -4.019 0.857) 4.828 9.050 ( 1.329 -2.750 -8.621) 9.146 9.107 ( -2.582 -3.812 -4.870) 6.702 9.288 ( 3.294 4.417 2.553) 6.073 9.358 ( -2.785 0.575 -0.566) 2.900 9.574 ( 5.403 2.015 -8.460) 10.238 9.649 ( -2.719 0.712 -7.220) 7.748 9.838 ( 4.687 -6.499 -4.459) 9.170 9.930 ( -5.251 -9.192 0.081) 10.587 10.450 ( 0.758 -1.218 -6.788) 6.937 10.468 ( -1.184 -1.779 -6.852) 7.177 10.936 ( 10.886 -12.580 -2.838) 16.876 11.058 ( -2.150 -18.413 1.911) 18.636 11.660 ( 6.287 6.785 0.492) 9.263 11.791 ( -6.886 3.792 0.967) 7.920 12.020 ( 2.870 8.870 7.618) 12.039 12.081 ( -3.168 6.959 9.864) 12.481 12.097 ( 2.817 1.169 17.390) 17.655 12.180 ( -6.852 4.608 12.187) 14.721 13.020 ( 3.394 -3.195 3.341) 5.735 13.047 ( 0.277 -3.446 2.947) 4.542 13.144 ( 4.277 2.004 -0.515) 4.751 13.233 ( -3.348 2.637 1.906) 4.668 14.015 ( 0.660 -3.890 0.280) 3.955 14.080 ( -6.863 -6.661 6.565) 11.601 14.602 ( -0.920 -0.946 0.855) 1.573 14.612 ( -1.772 -1.839 1.642) 3.036 15.103 ( 3.453 2.159 -7.647) 8.663 15.167 ( -3.276 1.469 -6.625) 7.535 15.929 ( 7.108 4.081 -9.170) 12.299 16.044 ( -5.507 3.080 -4.804) 7.931 16.431 ( 2.150 -0.816 -4.187) 4.777 16.472 ( -2.328 -1.482 -3.541) 4.489 16.953 ( 4.610 1.507 3.487) 5.974 17.033 ( -0.020 -0.567 0.049) 0.570 17.097 ( -4.302 -1.322 3.513) 5.709 17.131 ( -3.501 -0.964 -5.734) 6.787 23.992 ( 3.185 1.058 2.908) 4.441 24.043 ( -2.118 1.281 2.398) 3.446 24.098 ( 1.512 -0.553 0.960) 1.874 24.126 ( -1.720 -0.440 2.097) 2.748 24.900 ( 1.470 -1.581 3.261) 3.911 24.928 ( -1.550 -2.310 3.182) 4.227 25.594 ( 4.181 -11.021 0.216) 11.789 25.660 ( -3.115 -10.184 0.503) 10.661 26.222 ( 3.035 13.641 -2.475) 14.192 26.279 ( -3.138 13.916 -3.311) 14.644 27.131 ( 18.124 14.254 -35.888) 42.657 27.399 ( -11.536 6.671 -27.294) 30.374 28.100 ( -0.330 0.050 7.783) 7.791 28.105 ( -0.791 0.110 7.501) 7.544 28.770 ( 15.015 -5.215 26.737) 31.105 29.109 ( -22.889 -10.485 35.616) 43.615 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 0.000 33.868 18.464) 38.574 2.044 ( 0.000 36.483 24.676) 44.045 3.329 ( 0.000 55.835 35.609) 66.224 3.542 ( 0.000 23.791 11.437) 26.398 3.843 ( 0.000 -0.377 -2.186) 2.219 3.910 ( 0.000 7.371 17.760) 19.229 4.433 ( 0.000 -6.237 2.703) 6.798 4.557 ( 0.000 -9.069 3.432) 9.697 4.598 ( 0.000 -9.250 0.310) 9.255 5.138 ( 0.000 -20.283 2.115) 20.393 5.671 ( 0.000 -10.047 -4.241) 10.905 5.829 ( 0.000 -12.607 -12.501) 17.754 5.995 ( 0.000 -0.101 -0.118) 0.155 6.025 ( 0.000 11.293 0.679) 11.314 6.183 ( 0.000 14.436 -5.681) 15.514 6.228 ( 0.000 4.773 -7.063) 8.524 6.552 ( 0.000 13.418 -8.412) 15.836 6.806 ( 0.000 -3.097 11.353) 11.768 6.918 ( 0.000 13.470 6.353) 14.893 7.178 ( 0.000 7.300 -2.674) 7.774 7.189 ( 0.000 -3.294 -4.358) 5.463 7.347 ( 0.000 -19.021 1.067) 19.051 7.405 ( 0.000 6.654 1.864) 6.910 7.488 ( 0.000 -9.431 -4.362) 10.391 7.749 ( 0.000 -2.196 -11.178) 11.392 8.036 ( 0.000 2.094 -0.493) 2.152 8.136 ( 0.000 4.943 -9.149) 10.399 8.206 ( 0.000 1.863 -10.523) 10.687 8.366 ( 0.000 13.695 -8.627) 16.186 8.691 ( 0.000 2.180 2.241) 3.127 8.707 ( 0.000 3.369 -8.863) 9.482 8.853 ( 0.000 -5.272 -5.408) 7.553 8.917 ( 0.000 -12.456 -0.653) 12.473 9.235 ( 0.000 2.051 -4.404) 4.858 9.271 ( 0.000 -0.521 -3.307) 3.348 9.449 ( 0.000 0.820 -3.342) 3.441 9.522 ( 0.000 8.145 -0.988) 8.205 9.620 ( 0.000 1.377 5.685) 5.850 9.695 ( 0.000 -4.347 -2.958) 5.258 9.863 ( 0.000 -4.514 -5.918) 7.443 10.386 ( 0.000 -4.105 -6.165) 7.407 10.433 ( 0.000 -6.030 -2.186) 6.414 10.521 ( 0.000 -10.409 -9.014) 13.770 10.640 ( 0.000 -13.624 6.756) 15.207 11.639 ( 0.000 4.593 1.050) 4.712 11.786 ( 0.000 -1.500 4.897) 5.122 12.052 ( 0.000 -1.259 13.744) 13.801 12.136 ( 0.000 0.889 19.150) 19.170 12.281 ( 0.000 9.435 6.076) 11.222 12.537 ( 0.000 2.272 -18.861) 18.998 12.871 ( 0.000 2.011 10.456) 10.648 12.962 ( 0.000 -3.599 1.205) 3.796 13.096 ( 0.000 -1.185 0.146) 1.194 13.314 ( 0.000 3.655 3.064) 4.769 13.951 ( 0.000 -6.112 0.371) 6.123 13.953 ( 0.000 -15.299 14.104) 20.808 14.566 ( 0.000 -0.183 2.492) 2.499 14.969 ( 0.000 4.390 -4.086) 5.998 15.047 ( 0.000 -0.197 -7.342) 7.345 15.225 ( 0.000 0.510 -5.798) 5.821 15.923 ( 0.000 10.531 -15.729) 18.929 16.223 ( 0.000 2.468 -7.452) 7.851 16.363 ( 0.000 -1.841 -6.257) 6.522 16.484 ( 0.000 -2.814 -1.923) 3.408 16.901 ( 0.000 1.295 -1.150) 1.732 16.964 ( 0.000 0.081 -6.213) 6.214 17.124 ( 0.000 -7.508 12.626) 14.689 17.168 ( 0.000 -2.164 -4.751) 5.221 23.945 ( 0.000 1.528 2.691) 3.095 24.030 ( 0.000 -0.070 1.301) 1.303 24.110 ( 0.000 2.619 1.772) 3.162 24.174 ( 0.000 0.485 3.360) 3.394 24.869 ( 0.000 -0.393 2.919) 2.945 24.899 ( 0.000 -2.270 2.440) 3.332 25.210 ( 0.000 -10.478 1.461) 10.579 25.441 ( 0.000 -15.497 1.619) 15.582 26.543 ( 0.000 21.980 -4.236) 22.384 26.756 ( 0.000 17.546 -5.093) 18.271 27.126 ( 0.000 18.116 -37.667) 41.798 27.657 ( 0.000 1.303 -17.788) 17.836 28.114 ( 0.000 -1.102 11.895) 11.946 28.159 ( 0.000 2.692 8.270) 8.697 28.412 ( 0.000 -3.545 13.840) 14.287 29.236 ( 0.000 -27.681 34.792) 44.460 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 10.318 31.101 19.285) 38.021 2.184 ( 14.355 33.625 23.257) 43.331 3.200 ( -25.836 19.271 12.418) 34.541 3.474 ( -1.868 27.360 20.596) 34.297 3.628 ( -3.088 38.712 19.567) 43.486 4.117 ( 14.221 -0.820 3.780) 14.738 4.445 ( -3.047 -21.687 4.470) 22.351 4.543 ( -5.951 -3.113 2.379) 7.124 4.766 ( 20.395 -0.702 3.220) 20.660 5.204 ( 7.747 -22.613 2.750) 24.061 5.616 ( -6.732 0.945 -5.363) 8.659 5.745 ( -7.839 -11.269 -7.909) 15.843 5.907 ( -11.434 10.448 2.281) 15.655 6.069 ( 4.108 5.526 -3.446) 7.700 6.176 ( -0.150 7.714 -4.586) 8.975 6.236 ( -4.595 4.146 -0.815) 6.242 6.476 ( -3.797 3.191 -1.284) 5.123 6.711 ( 6.328 8.918 -4.373) 11.777 7.021 ( -9.142 8.503 -3.598) 12.993 7.150 ( 6.898 4.648 3.442) 9.002 7.194 ( -0.215 -2.100 -0.686) 2.219 7.386 ( -0.333 -15.355 -2.096) 15.501 7.465 ( 2.094 -8.082 -2.045) 8.595 7.510 ( 7.418 2.640 2.701) 8.324 7.692 ( -5.056 -1.537 -9.400) 10.784 8.003 ( -7.490 6.856 0.351) 10.160 8.075 ( -0.162 3.013 -4.381) 5.320 8.176 ( 0.274 3.689 -9.561) 10.252 8.514 ( 7.719 5.962 -15.419) 18.245 8.637 ( -2.750 1.826 -8.206) 8.845 8.783 ( 5.649 0.848 -1.374) 5.875 8.873 ( 2.473 -6.198 -4.821) 8.232 8.924 ( 0.078 -9.202 1.909) 9.398 9.152 ( -5.981 0.595 -4.820) 7.704 9.322 ( 2.785 -0.205 -0.167) 2.798 9.434 ( -1.175 1.789 -0.657) 2.239 9.542 ( 2.359 5.609 -3.681) 7.112 9.636 ( 1.561 1.480 1.434) 2.585 9.722 ( 2.017 -4.986 -4.400) 6.949 9.828 ( -3.265 -2.944 -7.929) 9.066 10.384 ( -0.065 -4.973 -6.250) 7.987 10.433 ( -1.406 -5.125 -2.683) 5.953 10.552 ( 5.328 -11.214 -6.512) 14.020 10.688 ( 3.442 -15.473 4.813) 16.566 11.668 ( 3.180 4.351 1.221) 5.526 11.794 ( 0.583 -1.435 4.871) 5.111 12.057 ( 0.705 -1.694 13.539) 13.663 12.141 ( 0.395 0.989 19.043) 19.073 12.269 ( -1.029 9.895 4.649) 10.981 12.470 ( -6.538 5.337 -14.757) 17.001 12.910 ( 3.217 -0.656 9.214) 9.781 12.965 ( 0.216 -4.094 1.925) 4.529 13.110 ( 2.083 0.634 0.494) 2.233 13.316 ( -0.234 3.129 4.263) 5.293 13.924 ( -2.250 -10.145 7.081) 12.575 13.942 ( -1.629 -10.621 6.100) 12.356 14.571 ( 0.730 0.818 2.120) 2.387 14.847 ( -9.969 6.889 -3.785) 12.695 15.079 ( 2.303 -0.141 -6.202) 6.618 15.220 ( -1.039 -0.009 -5.875) 5.966 15.957 ( 3.388 8.717 -13.554) 16.467 16.192 ( -3.169 3.004 -6.865) 8.136 16.375 ( 1.074 -2.055 -6.986) 7.360 16.466 ( -1.719 -2.818 -2.917) 4.406 16.924 ( 2.366 1.426 -0.141) 2.766 16.983 ( 2.008 -0.177 -5.557) 5.911 17.103 ( -2.090 -5.044 9.138) 10.645 17.151 ( -1.867 -2.056 -4.693) 5.453 23.966 ( 2.278 1.581 2.747) 3.903 24.052 ( 2.068 -0.308 1.196) 2.409 24.105 ( -0.630 2.480 1.908) 3.192 24.157 ( -1.678 0.413 3.110) 3.558 24.867 ( 0.022 -0.481 2.903) 2.943 24.898 ( -0.275 -2.018 2.887) 3.533 25.249 ( 3.899 -11.934 1.170) 12.609 25.431 ( -1.253 -15.301 1.537) 15.429 26.555 ( 1.291 21.795 -4.377) 22.267 26.715 ( -3.687 19.188 -6.098) 20.468 27.205 ( 7.538 13.869 -33.810) 37.314 27.618 ( -4.165 1.685 -18.845) 19.373 28.106 ( -0.459 -0.148 10.709) 10.720 28.150 ( -1.002 2.698 7.933) 8.440 28.473 ( 6.439 -5.116 16.698) 18.614 29.111 ( -12.230 -22.125 33.491) 41.961 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.176 ( 21.181 24.204 19.083) 37.398 2.467 ( 6.711 24.202 21.375) 32.980 2.770 ( -10.956 23.393 12.515) 28.703 3.065 ( -26.094 22.066 12.710) 36.460 4.000 ( 25.266 38.132 20.554) 50.149 4.294 ( 5.325 -4.822 2.216) 7.518 4.368 ( -10.876 2.085 8.430) 13.918 4.387 ( -6.547 -13.170 2.916) 14.993 5.129 ( 17.793 -11.034 1.705) 21.006 5.352 ( -0.825 -18.989 5.066) 19.671 5.505 ( 1.974 11.108 3.026) 11.681 5.595 ( -5.455 13.236 0.315) 14.320 5.702 ( -7.066 -7.081 -6.058) 11.695 5.865 ( -18.456 -6.676 0.375) 19.630 6.216 ( 3.469 4.860 -3.647) 6.997 6.234 ( 1.336 8.134 -4.573) 9.427 6.597 ( 11.806 8.513 -3.155) 14.893 6.814 ( -10.298 10.238 -3.389) 14.912 6.897 ( 10.006 4.363 -9.216) 14.286 7.096 ( -9.388 3.422 -7.311) 12.381 7.265 ( 4.713 -5.257 1.522) 7.223 7.340 ( -3.287 -9.313 -0.894) 9.916 7.516 ( 3.184 -10.946 -0.300) 11.404 7.581 ( -3.638 -8.903 -0.979) 9.667 7.693 ( 8.268 9.773 0.496) 12.811 7.848 ( -8.569 8.951 1.144) 12.444 8.117 ( 3.117 1.906 -4.337) 5.671 8.165 ( -1.788 2.381 -6.467) 7.119 8.583 ( 1.536 2.398 -12.388) 12.711 8.608 ( -1.075 2.501 -13.647) 13.916 8.874 ( 3.532 -2.892 -1.850) 4.925 8.913 ( -1.173 -5.196 0.110) 5.328 8.942 ( 4.904 -5.098 -3.661) 7.965 9.042 ( -5.948 -1.823 -3.290) 7.037 9.368 ( 2.527 0.895 1.827) 3.244 9.410 ( -1.796 1.575 2.051) 3.148 9.603 ( 3.781 1.297 -5.953) 7.170 9.651 ( -0.793 0.262 -2.592) 2.723 9.747 ( 0.890 -3.831 -8.248) 9.138 9.772 ( -2.264 -0.307 -10.262) 10.513 10.388 ( 0.525 -4.995 -5.898) 7.747 10.404 ( -1.332 -4.858 -5.084) 7.157 10.665 ( 5.507 -14.672 -1.956) 15.793 10.721 ( -0.431 -16.523 1.786) 16.625 11.741 ( 4.115 2.558 2.178) 5.313 11.792 ( -1.255 -0.277 4.089) 4.286 12.087 ( 2.714 -2.426 13.756) 14.230 12.136 ( -1.620 -1.515 17.728) 17.867 12.264 ( 1.389 12.294 0.303) 12.376 12.339 ( -6.690 11.009 -6.597) 14.473 12.952 ( 1.294 -3.952 5.648) 7.014 12.965 ( -0.284 -4.803 3.694) 6.066 13.186 ( 5.847 2.806 4.189) 7.721 13.283 ( -3.868 2.718 6.167) 7.771 13.891 ( -0.730 -9.659 5.528) 11.153 13.905 ( -1.926 -9.401 4.133) 10.449 14.600 ( 2.764 3.623 0.923) 4.650 14.685 ( -6.989 6.966 -1.282) 9.951 15.127 ( 3.047 -0.231 -6.077) 6.802 15.183 ( -2.851 -0.247 -6.027) 6.671 16.033 ( 4.727 6.049 -9.714) 12.381 16.119 ( -4.621 4.224 -7.243) 9.574 16.399 ( 1.559 -2.380 -6.897) 7.461 16.431 ( -1.982 -2.675 -5.193) 6.168 16.979 ( 3.380 0.906 2.124) 4.093 17.020 ( 0.597 -0.561 -0.262) 0.860 17.066 ( -0.602 -1.658 -0.257) 1.783 17.105 ( -3.019 -1.619 -5.244) 6.264 24.020 ( 3.421 1.717 2.838) 4.765 24.076 ( -1.938 1.791 2.248) 3.467 24.093 ( 1.328 0.227 1.656) 2.135 24.123 ( -1.780 0.240 2.066) 2.738 24.873 ( 0.666 -0.871 3.086) 3.275 24.888 ( -0.800 -1.465 3.190) 3.600 25.328 ( 4.306 -13.821 1.054) 14.514 25.394 ( -2.860 -14.773 1.296) 15.103 26.590 ( 2.585 21.324 -4.873) 22.026 26.647 ( -3.625 20.620 -5.741) 21.709 27.360 ( 8.986 7.595 -27.682) 30.079 27.512 ( -7.415 3.485 -22.235) 23.696 28.107 ( 0.627 1.260 8.983) 9.093 28.127 ( -1.355 2.237 8.033) 8.448 28.632 ( 10.952 -8.421 22.434) 26.347 28.861 ( -14.020 -13.740 28.796) 34.851 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.497 ( 0.000 36.458 10.522) 37.946 2.791 ( 0.000 38.650 13.717) 41.012 3.754 ( 0.000 -8.785 0.401) 8.794 3.834 ( 0.000 2.444 8.007) 8.371 3.908 ( 0.000 -13.892 9.781) 16.990 4.067 ( 0.000 4.600 14.545) 15.255 4.359 ( 0.000 -16.067 8.088) 17.988 4.385 ( 0.000 14.547 23.838) 27.926 4.845 ( 0.000 39.444 4.431) 39.692 4.958 ( 0.000 9.300 2.260) 9.571 5.439 ( 0.000 -17.369 -10.488) 20.290 5.488 ( 0.000 -7.449 -4.103) 8.504 5.891 ( 0.000 -13.594 5.202) 14.556 6.170 ( 0.000 1.547 -4.490) 4.749 6.254 ( 0.000 -2.036 -5.210) 5.594 6.514 ( 0.000 17.446 -6.813) 18.729 6.657 ( 0.000 -29.231 5.354) 29.717 6.847 ( 0.000 6.368 -11.717) 13.336 6.955 ( 0.000 13.868 9.146) 16.612 7.148 ( 0.000 -4.481 -2.804) 5.286 7.260 ( 0.000 1.495 -2.332) 2.770 7.279 ( 0.000 1.989 -8.594) 8.821 7.336 ( 0.000 3.008 2.032) 3.630 7.520 ( 0.000 2.080 0.153) 2.086 7.747 ( 0.000 6.886 -7.052) 9.856 8.121 ( 0.000 5.646 2.958) 6.374 8.204 ( 0.000 -2.197 -6.134) 6.515 8.225 ( 0.000 2.799 -6.402) 6.987 8.590 ( 0.000 7.372 -6.953) 10.134 8.637 ( 0.000 -9.870 -3.998) 10.649 8.721 ( 0.000 -0.766 -7.588) 7.627 8.770 ( 0.000 1.680 -4.833) 5.116 8.826 ( 0.000 3.472 -8.857) 9.514 9.220 ( 0.000 -4.071 -2.676) 4.872 9.231 ( 0.000 -3.419 1.367) 3.682 9.311 ( 0.000 -14.629 1.145) 14.674 9.678 ( 0.000 4.808 -6.843) 8.364 9.700 ( 0.000 5.998 0.127) 5.999 9.717 ( 0.000 10.926 -0.679) 10.947 9.892 ( 0.000 5.493 -6.409) 8.441 10.267 ( 0.000 -11.152 -4.696) 12.100 10.274 ( 0.000 -6.629 -4.880) 8.231 10.316 ( 0.000 -8.456 -3.278) 9.069 10.379 ( 0.000 -12.675 1.182) 12.730 11.743 ( 0.000 5.820 2.358) 6.280 11.793 ( 0.000 1.975 4.462) 4.880 12.000 ( 0.000 -3.573 9.116) 9.791 12.075 ( 0.000 -5.976 14.544) 15.724 12.475 ( 0.000 9.580 2.008) 9.788 12.601 ( 0.000 3.807 -8.325) 9.154 12.865 ( 0.000 -2.562 7.871) 8.277 12.877 ( 0.000 -4.761 1.769) 5.079 13.145 ( 0.000 6.290 5.170) 8.142 13.373 ( 0.000 1.874 2.452) 3.086 13.692 ( 0.000 -10.186 13.848) 17.191 13.803 ( 0.000 -8.516 4.111) 9.456 14.652 ( 0.000 8.241 0.340) 8.249 14.996 ( 0.000 -5.294 -5.264) 7.466 15.062 ( 0.000 4.866 -4.354) 6.530 15.212 ( 0.000 -1.914 -5.130) 5.476 16.113 ( 0.000 8.780 -11.580) 14.532 16.253 ( 0.000 0.769 -10.490) 10.518 16.322 ( 0.000 -1.951 -8.700) 8.916 16.410 ( 0.000 -4.708 -3.666) 5.967 16.927 ( 0.000 1.240 -1.580) 2.008 16.961 ( 0.000 -0.392 -4.208) 4.226 17.058 ( 0.000 -0.489 4.457) 4.484 17.121 ( 0.000 -2.482 -3.121) 3.988 23.977 ( 0.000 1.664 2.275) 2.818 24.024 ( 0.000 -0.558 1.548) 1.645 24.162 ( 0.000 2.380 1.984) 3.099 24.189 ( 0.000 0.811 2.897) 3.009 24.872 ( 0.000 0.916 2.418) 2.585 24.881 ( 0.000 0.791 2.425) 2.551 25.034 ( 0.000 -7.128 2.585) 7.582 25.156 ( 0.000 -12.679 2.865) 12.999 26.968 ( 0.000 19.968 -6.658) 21.049 27.078 ( 0.000 14.815 -8.956) 17.312 27.306 ( 0.000 2.158 -24.137) 24.233 27.600 ( 0.000 -7.658 -13.324) 15.368 28.130 ( 0.000 2.827 10.154) 10.540 28.228 ( 0.000 3.080 14.257) 14.586 28.353 ( 0.000 -0.608 9.830) 9.849 28.787 ( 0.000 -18.838 25.745) 31.901 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.535 ( 5.080 34.361 11.851) 36.701 2.884 ( 9.105 36.543 14.157) 40.233 3.507 ( -19.001 12.879 9.689) 24.915 3.813 ( -8.016 -0.231 6.614) 10.395 3.870 ( -3.340 -16.514 7.101) 18.283 4.012 ( -5.769 -2.327 12.029) 13.542 4.350 ( 8.782 -18.203 2.583) 20.375 4.605 ( 10.577 7.934 18.409) 22.665 4.907 ( 5.636 23.499 7.070) 25.178 4.934 ( -0.388 14.347 4.539) 15.053 5.393 ( -2.360 -13.073 -10.955) 17.219 5.563 ( 6.980 -1.943 -3.679) 8.126 5.860 ( -6.426 -16.587 3.207) 18.075 6.195 ( 6.010 6.656 -1.663) 9.121 6.351 ( 7.125 0.577 -5.963) 9.309 6.503 ( -3.407 17.053 -4.507) 17.965 6.667 ( -12.212 16.848 2.294) 20.935 6.724 ( 6.675 -21.398 3.753) 22.727 6.991 ( 3.383 0.570 -2.208) 4.080 7.100 ( -5.649 -2.629 -5.033) 8.009 7.226 ( -2.826 -0.654 -3.072) 4.225 7.298 ( 0.506 0.464 -5.148) 5.193 7.309 ( -2.195 0.410 -1.489) 2.684 7.493 ( -5.602 -6.524 -0.894) 8.645 7.798 ( 6.315 12.901 -2.862) 14.646 8.121 ( -0.804 5.322 1.349) 5.549 8.163 ( -3.322 3.475 -5.192) 7.076 8.219 ( -0.329 0.567 -5.345) 5.385 8.593 ( -1.220 -2.157 -6.320) 6.788 8.653 ( 2.782 2.096 -7.455) 8.229 8.740 ( 1.007 -4.931 -6.910) 8.549 8.789 ( 1.884 0.705 -4.054) 4.526 8.844 ( 2.202 1.572 -6.264) 6.823 9.145 ( -5.843 -1.163 0.996) 6.040 9.243 ( 0.158 -7.892 -3.158) 8.502 9.307 ( -0.699 -12.983 1.087) 13.047 9.687 ( 1.234 7.451 -6.013) 9.654 9.719 ( 1.389 8.255 -2.896) 8.858 9.749 ( 3.055 7.471 -2.297) 8.391 9.882 ( -1.094 5.919 -6.426) 8.805 10.254 ( -0.124 -8.229 -5.371) 9.828 10.301 ( -0.986 -7.367 -2.439) 7.823 10.317 ( 2.951 -11.478 -4.618) 12.720 10.394 ( 1.141 -14.007 1.358) 14.119 11.760 ( 1.838 5.029 2.141) 5.766 11.806 ( 1.166 2.522 4.462) 5.257 11.995 ( -0.189 -4.106 8.929) 9.829 12.074 ( -0.481 -6.182 13.033) 14.433 12.477 ( 0.516 10.325 1.469) 10.442 12.588 ( -1.429 6.039 -6.411) 8.923 12.858 ( -0.555 -4.570 6.602) 8.049 12.874 ( -0.426 -4.673 2.772) 5.450 13.181 ( 3.903 6.490 6.187) 9.779 13.380 ( 0.358 3.118 4.032) 5.109 13.676 ( -1.367 -10.931 12.352) 16.551 13.777 ( -2.747 -8.909 4.180) 10.217 14.673 ( 2.366 8.690 0.010) 9.007 14.974 ( -4.894 4.089 -5.235) 8.251 15.037 ( 0.449 -2.628 -3.592) 4.473 15.195 ( -2.004 -2.733 -5.192) 6.200 16.123 ( 1.178 8.025 -10.574) 13.327 16.238 ( -1.539 1.772 -9.774) 10.052 16.328 ( 0.617 -2.349 -8.813) 9.141 16.395 ( -1.495 -4.486 -4.352) 6.426 16.947 ( 2.049 0.996 -1.213) 2.581 16.978 ( 1.737 -0.445 -4.326) 4.682 17.053 ( -0.634 -0.556 3.291) 3.398 17.107 ( -1.485 -2.273 -3.326) 4.294 23.999 ( 2.347 1.683 2.336) 3.715 24.045 ( 2.127 -0.531 1.557) 2.689 24.153 ( -1.056 2.102 2.013) 3.096 24.172 ( -1.801 0.830 2.762) 3.401 24.870 ( 0.056 1.133 2.402) 2.657 24.885 ( 0.167 0.984 2.884) 3.052 25.051 ( 1.740 -8.095 2.267) 8.585 25.150 ( -0.695 -12.402 2.713) 12.715 26.976 ( 0.810 19.742 -6.924) 20.937 27.062 ( -1.573 15.746 -9.087) 18.248 27.339 ( 3.321 0.858 -22.531) 22.790 27.573 ( -2.859 -6.812 -14.089) 15.908 28.138 ( 0.903 3.393 9.879) 10.485 28.229 ( -0.413 4.953 13.100) 14.011 28.371 ( 2.544 -4.181 12.316) 13.252 28.728 ( -6.022 -16.922 24.702) 30.541 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.705 ( 13.599 28.715 14.042) 34.737 2.965 ( -9.211 25.291 15.816) 31.219 3.292 ( 5.101 29.830 10.734) 32.110 3.551 ( -17.432 26.455 11.923) 33.851 3.855 ( 1.478 -25.962 4.310) 26.359 3.916 ( -4.787 -21.858 5.397) 23.018 4.549 ( 10.566 -20.118 -0.797) 22.737 4.672 ( -2.295 -7.209 4.272) 8.688 4.966 ( 2.086 18.182 8.294) 20.093 4.983 ( 0.978 8.124 8.829) 12.037 5.445 ( 9.563 -5.903 -5.521) 12.522 5.656 ( -9.588 -8.918 -2.340) 13.302 5.777 ( 12.312 10.786 4.933) 17.096 6.109 ( -19.720 21.371 7.646) 30.068 6.414 ( 5.136 14.004 -3.869) 15.410 6.477 ( 0.778 14.259 -6.523) 15.699 6.676 ( 10.374 -2.611 -1.495) 10.801 6.868 ( 1.642 -15.225 0.414) 15.319 6.953 ( -3.405 0.313 -5.665) 6.617 7.038 ( -0.864 -4.696 -1.934) 5.151 7.185 ( -0.783 1.165 -3.692) 3.950 7.237 ( -5.409 -0.583 -2.222) 5.876 7.310 ( 1.402 -7.217 -3.970) 8.356 7.369 ( -5.522 -10.192 1.632) 11.706 7.928 ( 7.019 12.424 -1.470) 14.345 8.043 ( -5.877 9.132 -1.761) 11.001 8.165 ( 1.846 2.616 -3.129) 4.477 8.200 ( -1.708 0.813 -4.472) 4.856 8.593 ( 1.607 -0.382 -7.421) 7.603 8.642 ( -3.065 1.626 -8.605) 9.278 8.785 ( 2.892 -6.931 -5.341) 9.215 8.813 ( 0.001 -3.326 -3.115) 4.557 8.911 ( 5.508 1.603 -3.349) 6.642 9.028 ( -6.816 0.528 1.171) 6.936 9.255 ( 1.363 -10.333 -3.849) 11.110 9.285 ( -1.632 -11.803 -1.158) 11.971 9.717 ( 1.642 9.200 -5.815) 11.006 9.734 ( 0.005 9.193 -5.091) 10.508 9.807 ( 2.982 6.742 -5.191) 9.016 9.853 ( -2.127 6.528 -6.344) 9.348 10.261 ( 0.779 -7.569 -5.016) 9.113 10.280 ( -1.175 -7.238 -4.278) 8.490 10.373 ( 2.702 -14.284 -1.522) 14.617 10.403 ( -0.489 -15.249 0.499) 15.265 11.799 ( 2.017 3.730 2.558) 4.953 11.820 ( -0.094 3.296 3.803) 5.033 12.007 ( 1.739 -5.284 8.541) 10.193 12.049 ( -2.283 -6.170 9.959) 11.935 12.502 ( 2.217 11.271 0.457) 11.496 12.550 ( -2.706 9.879 -2.307) 10.500 12.853 ( 0.139 -6.186 5.039) 7.980 12.862 ( -0.742 -5.675 3.652) 6.789 13.273 ( 5.666 6.261 8.252) 11.807 13.360 ( -3.160 5.461 7.819) 10.047 13.668 ( 1.146 -11.635 7.726) 14.014 13.716 ( -3.574 -10.174 4.802) 11.804 14.739 ( 4.999 9.501 -1.033) 10.785 14.851 ( -7.181 9.151 -2.809) 11.967 15.078 ( 3.291 -4.953 -4.525) 7.473 15.143 ( -3.531 -4.056 -5.002) 7.344 16.155 ( 2.310 6.211 -9.092) 11.251 16.201 ( -2.464 3.950 -8.870) 10.017 16.343 ( 1.022 -3.168 -8.060) 8.720 16.366 ( -1.544 -3.981 -6.209) 7.535 16.991 ( 2.413 0.471 -0.108) 2.461 17.014 ( 1.370 -0.199 -2.536) 2.889 17.037 ( -0.393 -0.982 -0.608) 1.220 17.070 ( -2.451 -1.753 -3.949) 4.968 24.055 ( 3.531 1.666 2.488) 4.630 24.090 ( 2.483 -0.025 1.634) 2.973 24.118 ( -2.943 1.572 2.560) 4.206 24.133 ( -2.128 0.621 1.938) 2.944 24.875 ( 0.443 1.379 2.753) 3.110 24.883 ( -0.344 1.320 3.079) 3.367 25.090 ( 2.387 -9.979 2.059) 10.466 25.129 ( -1.703 -11.522 2.341) 11.880 26.997 ( 1.537 18.960 -7.654) 20.505 27.029 ( -1.918 17.516 -8.586) 19.602 27.415 ( 4.842 -1.888 -19.398) 20.082 27.503 ( -4.641 -4.678 -16.282) 17.565 28.164 ( 1.945 4.610 9.900) 11.092 28.204 ( -2.160 5.778 10.848) 12.479 28.456 ( 6.583 -9.045 17.475) 20.749 28.594 ( -8.145 -12.997 21.742) 26.608 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.203 ( 0.000 -34.328 5.888) 34.829 3.203 ( 0.000 34.328 5.888) 34.829 3.520 ( 0.000 -32.513 3.342) 32.684 3.520 ( 0.000 32.513 3.342) 32.684 3.920 ( 0.000 -6.855 11.609) 13.482 3.920 ( 0.000 6.855 11.609) 13.482 4.385 ( 0.000 -8.635 20.014) 21.798 4.385 ( 0.000 8.635 20.014) 21.798 5.216 ( 0.000 -7.373 -12.459) 14.477 5.216 ( 0.000 7.373 -12.459) 14.477 5.529 ( 0.000 -16.502 6.532) 17.748 5.529 ( 0.000 16.502 6.532) 17.748 5.811 ( 0.000 -47.770 9.485) 48.703 5.811 ( 0.000 47.770 9.485) 48.703 6.220 ( 0.000 -3.960 -1.817) 4.357 6.220 ( 0.000 3.960 -1.817) 4.357 6.830 ( 0.000 -13.102 -10.197) 16.602 6.830 ( 0.000 13.102 -10.197) 16.602 7.095 ( 0.000 -0.675 -3.270) 3.339 7.095 ( 0.000 0.675 -3.270) 3.339 7.264 ( 0.000 -1.535 -4.495) 4.750 7.264 ( 0.000 1.535 -4.495) 4.750 7.473 ( 0.000 -5.169 -0.882) 5.244 7.473 ( 0.000 5.169 -0.882) 5.244 8.033 ( 0.000 -16.219 -0.783) 16.238 8.033 ( 0.000 16.219 -0.783) 16.238 8.211 ( 0.000 -2.926 -0.878) 3.055 8.211 ( 0.000 2.926 -0.878) 3.055 8.568 ( 0.000 -3.003 -7.892) 8.444 8.568 ( 0.000 3.003 -7.892) 8.444 8.814 ( 0.000 -0.110 -7.176) 7.177 8.814 ( 0.000 0.110 -7.176) 7.177 8.964 ( 0.000 -15.017 -7.131) 16.624 8.964 ( 0.000 15.017 -7.131) 16.624 9.183 ( 0.000 -1.668 4.247) 4.563 9.183 ( 0.000 1.668 4.247) 4.563 9.761 ( 0.000 -1.072 -3.735) 3.886 9.761 ( 0.000 1.072 -3.735) 3.886 9.940 ( 0.000 -8.266 -6.322) 10.406 9.940 ( 0.000 8.266 -6.322) 10.406 10.135 ( 0.000 -5.338 -0.756) 5.392 10.135 ( 0.000 5.338 -0.756) 5.392 10.223 ( 0.000 -0.364 -3.207) 3.227 10.223 ( 0.000 0.364 -3.207) 3.227 11.829 ( 0.000 -0.599 4.916) 4.952 11.829 ( 0.000 0.599 4.916) 4.952 11.965 ( 0.000 -2.651 7.961) 8.391 11.965 ( 0.000 2.651 7.961) 8.391 12.621 ( 0.000 -3.775 -0.023) 3.776 12.621 ( 0.000 3.775 -0.023) 3.776 12.818 ( 0.000 -0.427 3.147) 3.176 12.818 ( 0.000 0.427 3.147) 3.176 13.305 ( 0.000 -8.398 5.174) 9.864 13.305 ( 0.000 8.398 5.174) 9.864 13.649 ( 0.000 -5.545 9.119) 10.673 13.649 ( 0.000 5.545 9.119) 10.673 14.842 ( 0.000 -9.781 -2.502) 10.096 14.842 ( 0.000 9.781 -2.502) 10.096 15.152 ( 0.000 -4.021 -4.739) 6.215 15.152 ( 0.000 4.021 -4.739) 6.215 16.248 ( 0.000 -3.004 -9.167) 9.646 16.248 ( 0.000 3.004 -9.167) 9.646 16.314 ( 0.000 -3.033 -8.486) 9.012 16.314 ( 0.000 3.033 -8.486) 9.012 16.948 ( 0.000 -0.878 -2.664) 2.804 16.948 ( 0.000 0.878 -2.664) 2.804 17.076 ( 0.000 -1.885 -0.241) 1.900 17.076 ( 0.000 1.885 -0.241) 1.900 24.006 ( 0.000 -1.252 1.857) 2.240 24.006 ( 0.000 1.252 1.857) 2.240 24.193 ( 0.000 -0.608 2.327) 2.405 24.193 ( 0.000 0.608 2.327) 2.405 24.907 ( 0.000 -1.765 1.518) 2.328 24.907 ( 0.000 1.765 1.518) 2.328 24.971 ( 0.000 -4.678 4.043) 6.183 24.971 ( 0.000 4.678 4.043) 6.183 27.250 ( 0.000 -7.813 -15.034) 16.943 27.250 ( 0.000 7.813 -15.034) 16.943 27.370 ( 0.000 -14.812 -9.293) 17.486 27.370 ( 0.000 14.812 -9.293) 17.486 28.203 ( 0.000 -3.837 11.337) 11.968 28.203 ( 0.000 3.837 11.337) 11.968 28.481 ( 0.000 -12.081 16.854) 20.737 28.481 ( 0.000 12.081 16.854) 20.737 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.206 ( 1.250 -32.946 6.944) 33.693 3.206 ( 1.250 32.946 6.944) 33.693 3.553 ( 0.851 -28.013 6.458) 28.760 3.553 ( 0.851 28.013 6.458) 28.760 3.864 ( -2.995 -20.349 8.897) 22.410 3.864 ( -2.995 20.349 8.897) 22.410 4.323 ( -6.860 -20.465 15.716) 26.700 4.323 ( -6.860 20.465 15.716) 26.700 5.246 ( 2.835 -6.808 -9.336) 11.897 5.246 ( 2.835 6.808 -9.336) 11.897 5.473 ( -4.966 -19.528 4.462) 20.638 5.473 ( -4.966 19.528 4.462) 20.638 5.921 ( 11.728 -38.836 7.935) 41.337 5.921 ( 11.728 38.836 7.935) 41.337 6.343 ( 11.622 -8.219 0.959) 14.267 6.343 ( 11.622 8.219 0.959) 14.267 6.817 ( -2.827 -11.017 -9.384) 14.745 6.817 ( -2.827 11.017 -9.384) 14.745 7.033 ( -6.058 -3.299 -1.337) 7.027 7.033 ( -6.058 3.299 -1.337) 7.027 7.244 ( -1.994 -2.372 -4.513) 5.475 7.244 ( -1.994 2.372 -4.513) 5.475 7.384 ( -7.604 -3.433 -1.220) 8.432 7.384 ( -7.604 3.433 -1.220) 8.432 8.076 ( 3.629 -12.473 -1.870) 13.124 8.076 ( 3.629 12.473 -1.870) 13.124 8.201 ( -1.050 -1.726 -1.736) 2.664 8.201 ( -1.050 1.726 -1.736) 2.664 8.589 ( 2.234 -4.383 -6.331) 8.017 8.589 ( 2.234 4.383 -6.331) 8.017 8.785 ( -2.989 -3.486 -5.502) 7.167 8.785 ( -2.989 3.486 -5.502) 7.167 8.981 ( 1.857 -13.243 -8.238) 15.706 8.981 ( 1.857 13.243 -8.238) 15.706 9.156 ( -2.753 -3.515 2.649) 5.191 9.156 ( -2.753 3.515 2.649) 5.191 9.800 ( 3.716 -1.779 -4.159) 5.854 9.800 ( 3.716 1.779 -4.159) 5.854 9.940 ( -0.167 -7.090 -6.440) 9.580 9.940 ( -0.167 7.090 -6.440) 9.580 10.142 ( 0.825 -4.718 -0.820) 4.859 10.142 ( 0.825 4.718 -0.820) 4.859 10.216 ( -0.792 -1.279 -2.823) 3.199 10.216 ( -0.792 1.279 -2.823) 3.199 11.844 ( 1.657 -1.893 4.626) 5.266 11.844 ( 1.657 1.893 4.626) 5.266 11.957 ( -0.957 -3.400 7.190) 8.011 11.957 ( -0.957 3.400 7.190) 8.011 12.637 ( 1.791 -3.941 0.634) 4.375 12.637 ( 1.791 3.941 0.634) 4.375 12.798 ( -2.127 -1.439 3.037) 3.977 12.798 ( -2.127 1.439 3.037) 3.977 13.339 ( 3.589 -8.047 5.724) 10.507 13.339 ( 3.589 8.047 5.724) 10.507 13.616 ( -3.513 -5.709 8.935) 11.169 13.616 ( -3.513 5.709 8.935) 11.169 14.865 ( 2.555 -9.624 -2.635) 10.300 14.865 ( 2.555 9.624 -2.635) 10.300 15.114 ( -3.915 -5.268 -4.441) 7.925 15.114 ( -3.915 5.268 -4.441) 7.925 16.250 ( 0.364 -2.722 -8.811) 9.229 16.250 ( 0.364 2.722 -8.811) 9.229 16.306 ( -0.907 -2.199 -8.349) 8.682 16.306 ( -0.907 2.199 -8.349) 8.682 16.965 ( 1.703 -0.816 -2.732) 3.321 16.965 ( 1.703 0.816 -2.732) 3.321 17.067 ( -1.012 -1.649 -0.697) 2.057 17.067 ( -1.012 1.649 -0.697) 2.057 24.028 ( 2.295 -1.215 1.903) 3.219 24.028 ( 2.295 1.215 1.903) 3.219 24.179 ( -1.591 -0.378 2.287) 2.812 24.179 ( -1.591 0.378 2.287) 2.812 24.916 ( 0.917 -2.468 1.733) 3.152 24.916 ( 0.917 2.468 1.733) 3.152 24.968 ( -0.380 -4.677 3.788) 6.031 24.968 ( -0.380 4.677 3.788) 6.031 27.262 ( 1.243 -8.509 -14.500) 16.858 27.262 ( 1.243 8.509 -14.500) 16.858 27.359 ( -1.170 -14.172 -9.854) 17.301 27.359 ( -1.170 14.172 -9.854) 17.301 28.223 ( 2.226 -4.587 11.925) 12.969 28.223 ( 2.226 4.587 11.925) 12.969 28.448 ( -3.502 -11.189 16.411) 20.169 28.448 ( -3.502 11.189 16.411) 20.169 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( 7.228 -28.686 9.308) 31.013 3.279 ( 7.228 28.686 9.308) 31.013 3.451 ( -10.311 -23.329 10.990) 27.773 3.451 ( -10.311 23.329 10.990) 27.773 3.939 ( 10.153 -33.071 5.103) 34.969 3.939 ( 10.153 33.071 5.103) 34.969 4.149 ( -11.661 -30.082 8.852) 33.456 4.149 ( -11.661 30.082 8.852) 33.456 5.306 ( 3.730 -9.931 -3.707) 11.237 5.306 ( 3.730 9.931 -3.707) 11.237 5.382 ( -4.742 -16.263 0.827) 16.960 5.382 ( -4.742 16.263 0.827) 16.960 6.207 ( 18.542 -27.929 4.462) 33.819 6.207 ( 18.542 27.929 4.462) 33.819 6.485 ( -5.154 -16.943 2.943) 17.952 6.485 ( -5.154 16.943 2.943) 17.952 6.744 ( 2.978 -7.383 -3.168) 8.568 6.744 ( 2.978 7.383 -3.168) 8.568 6.905 ( -8.904 -7.493 2.980) 12.013 6.905 ( -8.904 7.493 2.980) 12.013 7.218 ( 0.420 -2.518 -6.290) 6.788 7.218 ( 0.420 2.517 -6.290) 6.788 7.268 ( -4.672 -2.765 -4.412) 6.996 7.268 ( -4.672 2.765 -4.412) 6.996 8.135 ( 2.648 -6.575 -3.083) 7.730 8.135 ( 2.648 6.575 -3.083) 7.730 8.174 ( -1.833 -1.944 -2.984) 4.006 8.174 ( -1.833 1.944 -2.984) 4.006 8.645 ( 3.765 -6.112 -4.249) 8.342 8.645 ( 3.765 6.112 -4.249) 8.342 8.718 ( -4.128 -5.686 -4.061) 8.116 8.718 ( -4.128 5.686 -4.061) 8.116 9.029 ( 3.335 -10.107 -6.512) 12.478 9.029 ( 3.335 10.107 -6.512) 12.478 9.095 ( -3.734 -6.702 -1.689) 7.855 9.095 ( -3.734 6.702 -1.689) 7.855 9.872 ( 3.787 -2.827 -5.227) 7.047 9.872 ( 3.787 2.827 -5.227) 7.047 9.924 ( -1.833 -4.543 -6.207) 7.907 9.924 ( -1.833 4.543 -6.207) 7.907 10.165 ( 1.619 -3.564 -1.238) 4.105 10.165 ( 1.619 3.564 -1.238) 4.105 10.195 ( -1.541 -2.508 -2.009) 3.564 10.195 ( -1.541 2.508 -2.009) 3.564 11.884 ( 2.559 -3.149 4.517) 6.072 11.884 ( 2.559 3.149 4.517) 6.072 11.929 ( -2.154 -3.796 5.547) 7.058 11.929 ( -2.154 3.796 5.547) 7.058 12.684 ( 3.245 -3.829 1.897) 5.366 12.684 ( 3.245 3.829 1.897) 5.366 12.746 ( -3.387 -2.837 2.710) 5.183 12.746 ( -3.387 2.837 2.710) 5.183 13.425 ( 5.664 -7.199 6.999) 11.528 13.425 ( 5.664 7.199 6.999) 11.528 13.531 ( -5.658 -6.290 8.241) 11.810 13.531 ( -5.658 6.290 8.241) 11.810 14.932 ( 4.628 -8.958 -3.060) 10.537 14.932 ( 4.628 8.958 -3.060) 10.537 15.025 ( -5.450 -7.435 -3.747) 9.951 15.025 ( -5.450 7.435 -3.747) 9.951 16.263 ( 1.002 -1.686 -8.280) 8.509 16.263 ( 1.002 1.686 -8.280) 8.509 16.285 ( -1.314 -0.569 -8.152) 8.277 16.285 ( -1.314 0.569 -8.152) 8.277 17.002 ( 2.257 -0.760 -2.519) 3.466 17.002 ( 2.257 0.760 -2.519) 3.466 17.041 ( -1.856 -1.117 -1.701) 2.754 17.041 ( -1.856 1.117 -1.701) 2.754 24.081 ( 3.262 -0.933 2.025) 3.951 24.081 ( 3.262 0.933 2.025) 3.951 24.138 ( -2.837 -0.366 2.175) 3.593 24.138 ( -2.837 0.366 2.175) 3.593 24.937 ( 1.232 -3.637 2.332) 4.493 24.937 ( 1.232 3.637 2.332) 4.493 24.957 ( -0.898 -4.430 3.125) 5.495 24.957 ( -0.898 4.430 3.125) 5.495 27.292 ( 2.025 -10.295 -13.087) 16.774 27.292 ( 2.025 10.295 -13.087) 16.774 27.330 ( -1.983 -12.459 -11.312) 16.944 27.330 ( -1.983 12.459 -11.312) 16.944 28.282 ( 4.185 -6.543 13.422) 15.507 28.282 ( 4.185 6.543 13.422) 15.507 28.367 ( -4.963 -9.026 15.149) 18.319 28.367 ( -4.963 9.026 15.149) 18.319 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 0.000 43.782) 43.782 1.873 ( 0.000 0.000 43.418) 43.418 3.140 ( 0.000 0.000 17.028) 17.028 3.383 ( 0.000 0.000 57.526) 57.526 3.732 ( 0.000 0.000 3.454) 3.454 4.135 ( 0.000 0.000 13.167) 13.167 4.325 ( 0.000 0.000 8.477) 8.477 5.033 ( 0.000 0.000 7.839) 7.839 5.082 ( 0.000 0.000 1.017) 1.017 5.374 ( 0.000 0.000 -12.800) 12.800 5.569 ( 0.000 0.000 -11.575) 11.575 5.764 ( 0.000 0.000 -15.464) 15.464 5.817 ( 0.000 0.000 0.068) 0.068 5.961 ( 0.000 0.000 -14.370) 14.370 5.984 ( 0.000 0.000 -1.483) 1.483 6.028 ( 0.000 0.000 12.524) 12.524 6.184 ( 0.000 0.000 -4.479) 4.479 6.613 ( 0.000 0.000 13.366) 13.366 6.892 ( 0.000 0.000 1.558) 1.558 6.961 ( 0.000 0.000 -4.617) 4.617 7.232 ( 0.000 0.000 -15.750) 15.750 7.424 ( 0.000 0.000 9.164) 9.164 7.617 ( 0.000 0.000 -2.363) 2.363 7.623 ( 0.000 0.000 -11.756) 11.756 7.651 ( 0.000 0.000 -14.458) 14.458 7.738 ( 0.000 0.000 -13.169) 13.169 7.789 ( 0.000 0.000 -12.535) 12.535 7.814 ( 0.000 0.000 -0.180) 0.180 7.921 ( 0.000 0.000 -2.321) 2.321 8.461 ( 0.000 0.000 -2.613) 2.613 8.529 ( 0.000 0.000 -13.836) 13.836 8.873 ( 0.000 0.000 -6.630) 6.630 9.032 ( 0.000 0.000 -4.419) 4.419 9.118 ( 0.000 0.000 -7.746) 7.746 9.214 ( 0.000 0.000 -4.008) 4.008 9.354 ( 0.000 0.000 -6.710) 6.710 9.369 ( 0.000 0.000 6.353) 6.353 9.394 ( 0.000 0.000 -16.408) 16.408 9.852 ( 0.000 0.000 11.468) 11.468 10.228 ( 0.000 0.000 -1.898) 1.898 10.244 ( 0.000 0.000 -6.869) 6.869 10.361 ( 0.000 0.000 -5.933) 5.933 10.499 ( 0.000 0.000 -11.785) 11.785 11.211 ( 0.000 0.000 -20.017) 20.017 11.624 ( 0.000 0.000 4.650) 4.650 11.627 ( 0.000 0.000 6.982) 6.982 12.206 ( 0.000 0.000 10.241) 10.241 12.366 ( 0.000 0.000 12.303) 12.303 12.460 ( 0.000 0.000 19.356) 19.356 12.566 ( 0.000 0.000 18.255) 18.255 12.951 ( 0.000 0.000 8.603) 8.603 13.028 ( 0.000 0.000 -0.248) 0.248 13.153 ( 0.000 0.000 -0.376) 0.376 13.307 ( 0.000 0.000 11.139) 11.139 14.008 ( 0.000 0.000 -1.646) 1.646 14.636 ( 0.000 0.000 4.435) 4.435 14.749 ( 0.000 0.000 2.756) 2.756 14.767 ( 0.000 0.000 -5.474) 5.474 14.771 ( 0.000 0.000 -10.566) 10.566 14.885 ( 0.000 0.000 -16.925) 16.925 15.507 ( 0.000 0.000 -0.239) 0.239 16.038 ( 0.000 0.000 -10.095) 10.095 16.329 ( 0.000 0.000 -2.995) 2.995 16.464 ( 0.000 0.000 -4.866) 4.866 16.777 ( 0.000 0.000 -6.100) 6.100 16.807 ( 0.000 0.000 -4.022) 4.022 17.081 ( 0.000 0.000 -5.562) 5.562 17.910 ( 0.000 0.000 -1.858) 1.858 23.991 ( 0.000 0.000 4.349) 4.349 24.054 ( 0.000 0.000 1.315) 1.315 24.085 ( 0.000 0.000 1.830) 1.830 24.261 ( 0.000 0.000 4.333) 4.333 24.977 ( 0.000 0.000 4.974) 4.974 25.059 ( 0.000 0.000 4.028) 4.028 25.539 ( 0.000 0.000 -1.699) 1.699 25.639 ( 0.000 0.000 0.615) 0.615 25.897 ( 0.000 0.000 2.422) 2.422 25.934 ( 0.000 0.000 -2.981) 2.981 26.216 ( 0.000 0.000 -1.336) 1.336 27.106 ( 0.000 0.000 -23.810) 23.810 28.273 ( 0.000 0.000 10.134) 10.134 28.405 ( 0.000 0.000 11.549) 11.549 28.920 ( 0.000 0.000 22.409) 22.409 30.504 ( 0.000 0.000 -4.025) 4.025 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 13.046 0.000 40.423) 42.476 2.006 ( 14.192 0.000 39.352) 41.833 3.007 ( -13.860 0.000 20.043) 24.369 3.270 ( -20.186 0.000 14.460) 24.831 3.724 ( 15.080 0.000 59.023) 60.919 4.353 ( 14.856 0.000 -4.685) 15.577 4.419 ( 9.986 0.000 5.538) 11.419 4.895 ( -13.095 0.000 1.636) 13.196 5.156 ( 7.828 0.000 12.406) 14.669 5.275 ( -12.027 0.000 -9.727) 15.468 5.576 ( 2.325 0.000 -14.754) 14.936 5.672 ( -23.029 0.000 22.705) 32.340 5.791 ( -3.296 0.000 -17.148) 17.462 5.903 ( 6.309 0.000 -7.117) 9.510 5.933 ( 4.316 0.000 -5.353) 6.877 6.118 ( 6.806 0.000 -2.549) 7.267 6.406 ( 16.858 0.000 -8.664) 18.954 6.448 ( -11.755 0.000 -0.138) 11.756 6.773 ( -12.358 0.000 0.596) 12.372 7.151 ( 13.288 0.000 5.044) 14.214 7.175 ( -6.108 0.000 -14.023) 15.295 7.421 ( 0.288 0.000 7.415) 7.420 7.565 ( -5.381 0.000 -7.905) 9.563 7.666 ( 1.365 0.000 -11.253) 11.335 7.681 ( 2.551 0.000 -17.301) 17.488 7.689 ( -1.333 0.000 0.796) 1.553 7.830 ( 0.685 0.000 -4.259) 4.313 7.844 ( 0.066 0.000 -2.514) 2.515 7.902 ( 4.377 0.000 -17.893) 18.421 8.380 ( -6.391 0.000 -10.326) 12.144 8.654 ( 9.004 0.000 -7.876) 11.963 8.890 ( 1.821 0.000 -6.550) 6.798 8.975 ( -3.497 0.000 -4.323) 5.560 9.066 ( -4.079 0.000 -6.482) 7.659 9.265 ( 3.968 0.000 -6.427) 7.553 9.359 ( 1.027 0.000 4.329) 4.449 9.394 ( -0.218 0.000 -15.053) 15.055 9.460 ( 4.709 0.000 0.062) 4.709 9.802 ( -1.783 0.000 4.211) 4.573 10.209 ( -6.278 0.000 -1.615) 6.482 10.257 ( 1.334 0.000 -6.914) 7.041 10.352 ( -1.009 0.000 -6.112) 6.195 10.602 ( 13.996 0.000 -9.956) 17.176 11.223 ( -0.124 0.000 -19.914) 19.914 11.624 ( -0.009 0.000 5.169) 5.169 11.627 ( -0.011 0.000 6.400) 6.400 12.217 ( 0.980 0.000 10.269) 10.316 12.343 ( -2.400 0.000 11.530) 11.777 12.469 ( 1.040 0.000 19.260) 19.288 12.556 ( -1.125 0.000 18.362) 18.396 13.013 ( 6.681 0.000 8.000) 10.423 13.039 ( 1.223 0.000 -0.256) 1.249 13.140 ( -1.337 0.000 -0.360) 1.384 13.319 ( 0.679 0.000 10.543) 10.565 14.007 ( 0.271 0.000 -1.175) 1.206 14.531 ( -17.611 0.000 -2.355) 17.767 14.647 ( 1.144 0.000 4.298) 4.447 14.738 ( -1.170 0.000 2.942) 3.167 14.799 ( 2.543 0.000 -10.460) 10.764 14.956 ( 1.508 0.000 -15.123) 15.198 15.571 ( 6.542 0.000 -3.480) 7.410 15.989 ( -5.113 0.000 -10.315) 11.512 16.343 ( 1.452 0.000 -3.194) 3.509 16.452 ( -1.297 0.000 -4.704) 4.880 16.813 ( 3.440 0.000 -7.939) 8.652 16.856 ( 5.449 0.000 -1.543) 5.663 17.062 ( -1.818 0.000 -4.760) 5.095 17.695 ( -19.839 0.000 4.750) 20.400 24.011 ( 2.125 0.000 4.414) 4.899 24.078 ( 1.169 0.000 0.778) 1.404 24.092 ( 1.286 0.000 1.855) 2.257 24.240 ( -2.227 0.000 4.047) 4.620 24.980 ( 0.778 0.000 4.903) 4.965 25.063 ( -0.356 0.000 4.516) 4.530 25.652 ( 1.455 0.000 0.583) 1.568 25.796 ( 25.389 0.000 -11.663) 27.940 25.827 ( -4.485 0.000 0.486) 4.511 26.006 ( 4.720 0.000 -1.059) 4.837 26.201 ( -1.718 0.000 -1.287) 2.146 27.016 ( -10.022 0.000 -24.363) 26.344 28.275 ( 0.280 0.000 10.448) 10.451 28.371 ( -2.990 0.000 11.935) 12.304 29.040 ( 12.443 0.000 21.865) 25.158 30.259 ( -23.784 0.000 5.394) 24.388 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.302 ( 20.335 0.000 33.304) 39.022 2.354 ( 23.367 0.000 29.811) 37.878 2.684 ( -20.696 0.000 26.133) 33.335 2.816 ( -26.750 0.000 18.804) 32.698 4.169 ( 29.013 0.000 51.763) 59.339 4.605 ( 15.511 0.000 -4.999) 16.296 4.610 ( -18.519 0.000 13.019) 22.637 4.664 ( 16.471 0.000 0.519) 16.479 4.986 ( -18.165 0.000 -4.294) 18.666 5.016 ( -27.958 0.000 26.155) 38.285 5.542 ( 16.649 0.000 2.009) 16.770 5.638 ( 3.821 0.000 -18.035) 18.435 5.709 ( -4.212 0.000 -18.155) 18.637 5.881 ( -15.588 0.000 -4.635) 16.263 6.142 ( 17.160 0.000 -2.914) 17.405 6.216 ( 7.836 0.000 -1.323) 7.947 6.330 ( -3.477 0.000 0.426) 3.503 6.469 ( -17.538 0.000 -1.833) 17.633 6.731 ( 15.991 0.000 -9.451) 18.575 7.001 ( -12.942 0.000 -11.865) 17.558 7.340 ( 7.580 0.000 1.415) 7.711 7.456 ( -6.108 0.000 -4.088) 7.350 7.466 ( 4.681 0.000 2.797) 5.453 7.571 ( -6.397 0.000 -3.076) 7.099 7.733 ( 3.048 0.000 -15.926) 16.215 7.767 ( 4.295 0.000 -3.298) 5.415 7.790 ( -3.309 0.000 -10.483) 10.993 7.822 ( -1.703 0.000 -4.875) 5.164 8.066 ( 10.251 0.000 -16.639) 19.543 8.241 ( -8.867 0.000 -13.551) 16.194 8.801 ( 7.408 0.000 -5.708) 9.352 8.916 ( -4.535 0.000 -4.428) 6.338 8.934 ( 2.938 0.000 -6.384) 7.028 8.994 ( -3.711 0.000 -6.250) 7.269 9.333 ( 3.298 0.000 -9.253) 9.823 9.379 ( -1.650 0.000 -12.186) 12.297 9.391 ( 2.926 0.000 5.655) 6.367 9.457 ( -3.556 0.000 3.691) 5.126 9.870 ( 8.115 0.000 -1.929) 8.341 10.043 ( -10.265 0.000 -1.675) 10.400 10.289 ( 2.054 0.000 -6.857) 7.158 10.325 ( -1.840 0.000 -6.522) 6.776 10.913 ( 17.140 0.000 -12.367) 21.136 11.153 ( -8.567 0.000 -17.102) 19.128 11.625 ( 0.089 0.000 5.578) 5.579 11.626 ( -0.100 0.000 5.886) 5.887 12.241 ( 1.840 0.000 10.543) 10.703 12.288 ( -3.245 0.000 10.756) 11.234 12.495 ( 1.742 0.000 18.993) 19.072 12.528 ( -1.794 0.000 18.645) 18.731 13.069 ( 2.031 0.000 -0.282) 2.050 13.108 ( -2.102 0.000 -0.321) 2.126 13.168 ( 9.174 0.000 7.258) 11.698 13.296 ( -4.106 0.000 8.620) 9.548 14.049 ( 5.461 0.000 0.822) 5.523 14.228 ( -14.279 0.000 1.981) 14.415 14.675 ( 1.854 0.000 3.917) 4.334 14.709 ( -1.870 0.000 3.402) 3.882 14.861 ( 4.033 0.000 -11.406) 12.098 14.932 ( -3.334 0.000 -13.015) 13.435 15.715 ( 8.669 0.000 -8.006) 11.800 15.868 ( -7.930 0.000 -10.061) 12.811 16.378 ( 2.264 0.000 -3.692) 4.331 16.419 ( -2.168 0.000 -4.267) 4.787 16.887 ( 4.369 0.000 -8.790) 9.816 16.945 ( -0.011 0.000 -7.388) 7.388 17.077 ( 8.035 0.000 5.104) 9.519 17.331 ( -18.263 0.000 8.832) 20.286 24.055 ( 2.277 0.000 3.998) 4.601 24.081 ( -0.566 0.000 2.308) 2.376 24.130 ( 2.585 0.000 1.581) 3.030 24.187 ( -3.429 0.000 3.127) 4.641 25.006 ( 1.890 0.000 4.865) 5.219 25.041 ( -1.824 0.000 4.870) 5.201 25.691 ( 2.773 0.000 0.501) 2.818 25.751 ( -3.830 0.000 0.418) 3.852 26.088 ( 4.224 0.000 -1.028) 4.347 26.156 ( -3.184 0.000 -1.161) 3.389 26.307 ( 27.932 0.000 -22.554) 35.901 26.745 ( -19.860 0.000 -25.064) 31.978 28.287 ( 1.200 0.000 11.146) 11.211 28.320 ( -2.423 0.000 11.797) 12.043 29.343 ( 20.758 0.000 20.877) 29.440 29.778 ( -26.775 0.000 16.792) 31.605 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 10.885 38.883) 40.378 2.132 ( 0.000 23.060 38.293) 44.700 3.370 ( 0.000 21.313 17.418) 27.525 3.579 ( 0.000 16.704 27.318) 32.020 3.707 ( 0.000 4.427 26.815) 27.178 4.149 ( 0.000 1.785 12.045) 12.176 4.485 ( 0.000 10.818 8.628) 13.837 4.932 ( 0.000 -9.612 8.984) 13.157 4.940 ( 0.000 -12.894 4.130) 13.539 5.353 ( 0.000 -2.974 -7.287) 7.871 5.672 ( 0.000 8.693 -10.043) 13.282 5.767 ( 0.000 -7.852 -10.625) 13.211 5.828 ( 0.000 1.309 -4.849) 5.023 5.863 ( 0.000 -6.360 -10.700) 12.447 5.875 ( 0.000 1.471 -9.104) 9.222 6.085 ( 0.000 4.530 10.721) 11.639 6.262 ( 0.000 5.240 -3.277) 6.181 6.764 ( 0.000 13.096 8.861) 15.813 6.928 ( 0.000 3.241 0.794) 3.337 7.066 ( 0.000 8.373 -2.848) 8.845 7.143 ( 0.000 -6.646 -12.325) 14.003 7.317 ( 0.000 -6.915 -1.082) 6.999 7.534 ( 0.000 -8.840 -10.152) 13.462 7.562 ( 0.000 -5.315 -2.435) 5.846 7.666 ( 0.000 -4.126 -4.508) 6.111 7.804 ( 0.000 10.362 -12.660) 16.360 7.822 ( 0.000 4.391 -9.755) 10.698 7.894 ( 0.000 4.926 -7.355) 8.853 7.996 ( 0.000 5.892 -4.764) 7.577 8.445 ( 0.000 -0.739 -6.086) 6.131 8.601 ( 0.000 6.020 -11.442) 12.929 8.849 ( 0.000 -2.752 -4.931) 5.647 8.978 ( 0.000 -5.520 -4.283) 6.987 9.100 ( 0.000 -1.890 -12.027) 12.174 9.197 ( 0.000 -2.302 -2.774) 3.605 9.318 ( 0.000 0.651 -1.350) 1.499 9.406 ( 0.000 5.817 -0.895) 5.885 9.507 ( 0.000 6.787 -8.408) 10.806 9.784 ( 0.000 -5.465 7.887) 9.595 10.012 ( 0.000 -16.133 -4.604) 16.777 10.270 ( 0.000 0.878 -6.592) 6.650 10.427 ( 0.000 -0.427 -6.967) 6.980 10.453 ( 0.000 -2.871 -8.048) 8.545 11.056 ( 0.000 -11.640 -4.550) 12.498 11.648 ( 0.000 2.042 6.073) 6.407 11.824 ( 0.000 13.786 -7.504) 15.696 12.099 ( 0.000 -6.109 9.719) 11.479 12.332 ( 0.000 -3.324 10.031) 10.568 12.478 ( 0.000 1.889 18.218) 18.315 12.617 ( 0.000 1.110 17.438) 17.473 13.007 ( 0.000 5.494 9.915) 11.335 13.012 ( 0.000 -1.087 -0.180) 1.102 13.135 ( 0.000 -1.814 0.365) 1.851 13.349 ( 0.000 3.764 9.192) 9.933 14.004 ( 0.000 -0.469 -0.271) 0.542 14.479 ( 0.000 -11.573 6.305) 13.179 14.696 ( 0.000 -4.128 2.789) 4.982 14.798 ( 0.000 2.534 -4.705) 5.344 14.842 ( 0.000 2.059 -8.841) 9.078 14.923 ( 0.000 4.903 -16.103) 16.833 15.553 ( 0.000 4.550 -2.903) 5.397 16.021 ( 0.000 -1.546 -11.875) 11.975 16.291 ( 0.000 -3.557 -5.016) 6.149 16.453 ( 0.000 -1.319 -5.238) 5.402 16.803 ( 0.000 2.260 -5.201) 5.671 16.822 ( 0.000 1.389 -3.811) 4.056 17.071 ( 0.000 -0.881 -5.668) 5.736 17.668 ( 0.000 -19.494 4.396) 19.984 23.997 ( 0.000 0.601 4.098) 4.142 24.057 ( 0.000 0.223 1.386) 1.404 24.102 ( 0.000 1.681 1.781) 2.449 24.258 ( 0.000 -0.224 4.350) 4.356 24.967 ( 0.000 -0.941 4.726) 4.819 25.023 ( 0.000 -3.056 3.885) 4.943 25.432 ( 0.000 -8.713 0.279) 8.718 25.728 ( 0.000 -7.891 0.235) 7.894 26.030 ( 0.000 25.270 -8.716) 26.731 26.084 ( 0.000 13.924 -4.142) 14.527 26.360 ( 0.000 12.408 -3.369) 12.857 27.167 ( 0.000 5.184 -22.514) 23.103 28.297 ( 0.000 2.548 10.708) 11.007 28.395 ( 0.000 -0.956 12.020) 12.058 28.882 ( 0.000 -3.753 21.807) 22.128 30.246 ( 0.000 -23.071 4.883) 23.582 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 11.989 10.523 37.401) 40.661 2.257 ( 13.088 21.532 34.520) 42.738 3.195 ( -17.349 16.451 21.383) 32.075 3.379 ( -20.638 10.425 4.430) 23.542 3.836 ( 17.048 14.626 55.633) 59.997 4.280 ( 10.252 -3.085 2.264) 10.942 4.592 ( 8.296 9.492 5.547) 13.773 4.825 ( -8.435 -6.196 2.094) 10.674 5.008 ( 4.864 -11.719 9.619) 15.922 5.341 ( -3.184 3.416 -5.734) 7.395 5.569 ( -1.526 -3.381 -6.295) 7.306 5.742 ( -11.330 7.364 3.745) 14.022 5.811 ( -5.535 0.568 -5.565) 7.869 5.894 ( 6.487 -0.740 -8.962) 11.088 5.964 ( 5.918 0.658 -5.059) 7.814 6.024 ( 0.718 -0.678 -2.058) 2.283 6.377 ( 5.782 -0.748 -5.856) 8.264 6.568 ( -7.336 8.387 0.743) 11.168 6.811 ( -12.082 3.650 -2.500) 12.867 7.073 ( -4.515 -5.048 -7.996) 10.478 7.267 ( 6.889 6.378 -3.475) 10.010 7.358 ( 7.138 -3.959 4.578) 9.359 7.506 ( -3.532 -6.654 -9.232) 11.916 7.562 ( 1.365 -5.915 -6.962) 9.237 7.678 ( -0.249 -3.771 -7.720) 8.596 7.801 ( -2.159 6.410 -2.458) 7.197 7.836 ( -0.334 6.478 -8.014) 10.310 7.898 ( 3.846 4.750 -7.329) 9.543 8.020 ( 3.350 7.454 -14.350) 16.514 8.388 ( -5.333 0.565 -9.167) 10.620 8.664 ( 5.345 1.132 -10.394) 11.742 8.882 ( 2.502 -0.778 -5.917) 6.471 8.936 ( -1.559 -3.568 -2.219) 4.481 9.109 ( -2.761 3.166 -8.363) 9.359 9.225 ( 4.872 -5.121 -3.438) 7.860 9.342 ( 2.394 2.050 -2.631) 4.105 9.449 ( 2.762 2.476 -2.614) 4.538 9.491 ( -1.856 4.708 -5.254) 7.295 9.732 ( -3.015 -5.703 2.993) 7.111 9.990 ( -3.543 -15.678 -3.001) 16.351 10.288 ( 0.858 -0.508 -7.086) 7.156 10.378 ( -4.016 -0.881 -7.318) 8.394 10.569 ( 12.181 -3.409 -7.255) 14.582 11.060 ( -0.531 -12.297 -6.303) 13.829 11.663 ( 1.694 3.254 5.673) 6.755 11.811 ( -1.554 12.558 -5.450) 13.778 12.126 ( 2.695 -5.258 9.282) 11.002 12.315 ( -1.978 -2.742 9.120) 9.726 12.482 ( 0.555 1.422 18.430) 18.493 12.594 ( -2.323 0.769 17.790) 17.957 13.021 ( 1.118 -1.263 0.126) 1.692 13.075 ( 6.914 5.777 8.704) 12.527 13.121 ( -1.371 -1.931 0.952) 2.552 13.363 ( 1.016 3.986 9.078) 9.967 14.001 ( 0.050 -0.675 0.080) 0.681 14.418 ( -8.938 -10.121 5.286) 14.501 14.643 ( -4.543 0.336 -2.537) 5.214 14.704 ( -2.450 -1.800 2.801) 4.134 14.875 ( 1.796 4.694 -7.717) 9.209 14.972 ( 1.640 1.803 -14.742) 14.942 15.607 ( 5.617 3.685 -5.347) 8.586 15.978 ( -4.487 -0.932 -11.830) 12.686 16.305 ( 1.492 -3.513 -4.754) 6.096 16.436 ( -1.820 -1.739 -5.066) 5.657 16.826 ( 2.642 1.145 -7.194) 7.748 16.876 ( 5.300 1.669 -1.658) 5.799 17.052 ( -1.866 -0.906 -5.007) 5.419 17.527 ( -13.474 -13.996 6.621) 20.525 24.018 ( 2.254 0.708 4.201) 4.820 24.080 ( 1.901 0.054 1.040) 2.167 24.104 ( 0.268 1.426 1.918) 2.405 24.237 ( -2.238 -0.226 4.121) 4.695 24.968 ( 0.504 -1.102 4.746) 4.898 25.029 ( 0.006 -2.865 4.493) 5.329 25.499 ( 5.927 -11.245 -0.346) 12.716 25.718 ( -1.436 -9.253 0.623) 9.385 26.100 ( 6.375 20.441 -10.085) 23.668 26.109 ( 2.988 13.663 -4.861) 14.806 26.384 ( 3.993 15.351 -6.315) 17.073 27.091 ( -8.295 6.396 -22.854) 25.140 28.295 ( -0.083 2.190 10.981) 11.198 28.366 ( -2.522 -0.429 12.362) 12.623 28.992 ( 11.425 -4.699 21.337) 24.656 30.054 ( -19.106 -18.829 10.432) 28.782 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.390 ( 21.179 9.698 32.243) 39.777 2.569 ( 20.411 18.640 26.744) 38.461 2.809 ( -23.654 11.041 25.864) 36.747 2.971 ( -23.122 15.578 16.252) 32.271 4.227 ( 22.949 8.001 40.132) 46.917 4.471 ( 10.543 -6.424 1.544) 12.442 4.556 ( -10.489 -3.758 4.745) 12.110 4.749 ( -9.980 -7.127 7.914) 14.596 5.017 ( 7.670 16.982 5.228) 19.353 5.341 ( -18.817 21.626 17.289) 33.476 5.465 ( 10.092 -5.115 0.495) 11.326 5.662 ( 0.797 -4.455 -13.665) 14.395 5.691 ( -0.664 -1.028 -9.637) 9.715 5.894 ( -13.085 2.979 -5.455) 14.486 6.057 ( 9.009 -4.158 -3.776) 10.616 6.121 ( 4.146 -8.214 -0.867) 9.242 6.385 ( 3.933 4.543 -4.332) 7.408 6.556 ( -12.628 6.296 -5.523) 15.152 6.701 ( 11.420 -1.039 -6.218) 13.045 6.918 ( -11.410 -4.613 -9.896) 15.792 7.343 ( 4.003 -2.921 -4.015) 6.378 7.425 ( -4.862 -4.909 -6.989) 9.828 7.519 ( 7.855 5.091 4.632) 10.443 7.605 ( 1.792 -5.460 -5.106) 7.687 7.640 ( -2.412 1.751 -11.376) 11.760 7.701 ( -5.825 1.681 -1.157) 6.172 7.892 ( 3.552 5.988 -7.613) 10.316 7.932 ( -0.461 4.759 -6.366) 7.961 8.131 ( 7.920 6.240 -17.235) 19.968 8.272 ( -7.275 3.077 -13.032) 15.239 8.767 ( 5.951 -3.023 -8.040) 10.450 8.863 ( -3.864 -3.689 -6.701) 8.569 8.974 ( 3.596 2.237 -1.465) 4.481 9.041 ( -3.906 3.869 -4.329) 6.998 9.318 ( 5.121 -1.864 -4.081) 6.808 9.384 ( 0.434 2.895 -6.636) 7.253 9.440 ( -1.831 2.151 -3.410) 4.428 9.460 ( -1.731 1.376 0.001) 2.212 9.756 ( 5.517 -9.461 -1.608) 11.069 9.883 ( -7.437 -13.235 -1.903) 15.300 10.299 ( 0.769 -0.918 -7.243) 7.341 10.323 ( -1.995 -1.258 -7.191) 7.567 10.818 ( 13.256 -8.593 -8.907) 18.135 11.001 ( -6.570 -12.110 -8.631) 16.258 11.708 ( 3.143 6.387 3.767) 8.054 11.768 ( -3.110 9.817 -0.599) 10.315 12.187 ( 3.937 -3.198 8.466) 9.869 12.261 ( -3.876 -2.105 8.214) 9.323 12.503 ( 1.818 0.536 18.677) 18.773 12.546 ( -2.723 0.343 18.457) 18.660 13.049 ( 1.893 -1.672 0.027) 2.526 13.086 ( -2.062 -1.901 0.000) 2.805 13.232 ( 8.884 5.749 9.046) 13.921 13.350 ( -3.425 4.871 8.870) 10.684 14.034 ( 4.636 -1.690 1.594) 5.185 14.192 ( -12.501 -4.044 3.456) 13.586 14.629 ( 1.524 -2.383 1.758) 3.330 14.666 ( -2.182 -3.015 3.280) 4.960 14.916 ( 2.651 3.819 -9.484) 10.562 14.962 ( -2.123 2.389 -12.030) 12.447 15.733 ( 7.731 2.006 -9.076) 12.090 15.871 ( -7.115 0.417 -11.152) 13.235 16.343 ( 2.581 -3.260 -4.527) 6.147 16.393 ( -2.767 -2.596 -4.699) 6.040 16.890 ( 4.076 0.344 -8.103) 9.077 16.951 ( -0.893 0.410 -7.241) 7.307 17.063 ( 7.041 -1.376 3.716) 8.079 17.266 ( -13.840 -5.760 7.184) 16.623 24.066 ( 2.512 1.053 3.942) 4.792 24.093 ( -0.517 1.245 2.248) 2.621 24.127 ( 2.399 -0.100 1.746) 2.969 24.183 ( -3.441 -0.243 3.282) 4.761 24.987 ( 1.497 -1.583 4.890) 5.353 25.015 ( -1.365 -2.203 4.941) 5.580 25.599 ( 4.786 -10.617 0.168) 11.648 25.673 ( -3.407 -9.488 0.675) 10.104 26.155 ( 2.515 10.327 -3.794) 11.286 26.181 ( 0.496 10.896 -6.084) 12.489 26.574 ( 16.229 17.216 -18.608) 30.100 26.874 ( -15.236 10.446 -22.894) 29.418 28.300 ( 0.712 1.387 11.618) 11.722 28.323 ( -1.914 0.505 12.219) 12.378 29.269 ( 18.718 -7.267 20.586) 28.757 29.652 ( -23.063 -11.921 17.744) 31.446 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.309 ( 0.000 22.651 29.658) 37.318 2.636 ( 0.000 26.737 31.015) 40.949 3.715 ( 0.000 5.943 -4.406) 7.398 3.855 ( 0.000 23.269 17.539) 29.139 4.225 ( 0.000 7.003 8.077) 10.690 4.236 ( 0.000 33.668 38.609) 51.227 4.547 ( 0.000 -9.707 6.457) 11.658 4.694 ( 0.000 -13.372 10.017) 16.708 4.730 ( 0.000 1.548 16.630) 16.702 5.240 ( 0.000 -7.809 7.877) 11.092 5.525 ( 0.000 -12.575 -9.267) 15.621 5.574 ( 0.000 -14.967 -10.454) 18.256 5.896 ( 0.000 7.883 -5.433) 9.574 6.003 ( 0.000 6.827 -14.104) 15.669 6.009 ( 0.000 13.924 -9.180) 16.678 6.184 ( 0.000 3.160 9.661) 10.165 6.391 ( 0.000 7.790 -7.421) 10.759 6.999 ( 0.000 3.289 -1.739) 3.720 7.014 ( 0.000 7.125 2.193) 7.455 7.057 ( 0.000 0.534 -8.367) 8.384 7.128 ( 0.000 -1.381 5.014) 5.201 7.321 ( 0.000 -11.309 -11.709) 16.279 7.339 ( 0.000 10.003 -10.168) 14.264 7.405 ( 0.000 -10.020 4.498) 10.983 7.568 ( 0.000 -5.239 -4.596) 6.969 7.922 ( 0.000 5.540 -10.815) 12.152 7.985 ( 0.000 4.408 -8.101) 9.222 8.017 ( 0.000 9.166 -2.321) 9.456 8.126 ( 0.000 8.404 -12.260) 14.864 8.477 ( 0.000 4.689 -11.062) 12.015 8.658 ( 0.000 -3.695 -13.448) 13.946 8.754 ( 0.000 -6.726 -3.414) 7.543 8.818 ( 0.000 -9.344 0.589) 9.362 9.062 ( 0.000 -1.701 -14.226) 14.327 9.214 ( 0.000 5.753 -0.149) 5.755 9.384 ( 0.000 4.940 -2.125) 5.378 9.562 ( 0.000 8.735 3.148) 9.285 9.633 ( 0.000 2.133 -11.508) 11.704 9.658 ( 0.000 -15.459 -2.813) 15.713 9.697 ( 0.000 -1.819 2.884) 3.410 10.232 ( 0.000 -4.759 -8.059) 9.359 10.305 ( 0.000 -8.331 -10.414) 13.337 10.397 ( 0.000 -5.788 -2.704) 6.388 10.792 ( 0.000 -15.485 4.280) 16.066 11.707 ( 0.000 4.042 4.515) 6.060 11.931 ( 0.000 -0.915 6.733) 6.795 12.167 ( 0.000 9.522 -11.841) 15.195 12.243 ( 0.000 -5.332 5.531) 7.682 12.535 ( 0.000 3.759 15.845) 16.285 12.570 ( 0.000 -3.893 19.322) 19.710 12.987 ( 0.000 -1.817 1.866) 2.604 13.082 ( 0.000 -3.243 4.036) 5.177 13.153 ( 0.000 8.460 10.071) 13.153 13.427 ( 0.000 3.503 6.898) 7.736 13.983 ( 0.000 -1.891 2.998) 3.545 14.233 ( 0.000 -12.760 12.347) 17.756 14.629 ( 0.000 -1.545 3.222) 3.573 14.863 ( 0.000 0.624 -10.304) 10.323 14.865 ( 0.000 4.067 -5.274) 6.660 15.024 ( 0.000 4.052 -11.768) 12.446 15.680 ( 0.000 8.178 -8.071) 11.490 15.989 ( 0.000 -1.315 -14.284) 14.345 16.203 ( 0.000 -5.119 -8.406) 9.842 16.398 ( 0.000 -4.602 -6.898) 8.292 16.847 ( 0.000 1.885 -4.074) 4.490 16.853 ( 0.000 1.506 -3.578) 3.882 17.052 ( 0.000 -0.874 -5.412) 5.482 17.319 ( 0.000 -13.983 5.849) 15.157 24.013 ( 0.000 0.971 3.513) 3.645 24.061 ( 0.000 0.185 1.561) 1.572 24.149 ( 0.000 2.885 1.849) 3.427 24.256 ( 0.000 0.055 4.103) 4.104 24.946 ( 0.000 -1.009 4.160) 4.281 24.964 ( 0.000 -2.375 3.610) 4.321 25.256 ( 0.000 -8.478 3.030) 9.004 25.490 ( 0.000 -13.631 2.974) 13.951 26.424 ( 0.000 19.255 -6.825) 20.429 26.547 ( 0.000 22.495 -18.827) 29.334 26.629 ( 0.000 13.792 -6.664) 15.318 27.264 ( 0.000 3.678 -20.229) 20.561 28.379 ( 0.000 -0.234 13.372) 13.374 28.381 ( 0.000 6.251 12.371) 13.860 28.779 ( 0.000 -6.421 20.165) 21.162 29.732 ( 0.000 -26.802 14.705) 30.571 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.402 ( 10.297 21.339 29.221) 37.620 2.734 ( 10.347 25.487 28.696) 39.751 3.491 ( -19.996 12.750 10.665) 26.002 3.708 ( -16.543 21.044 11.070) 28.967 4.205 ( 2.920 -0.992 7.489) 8.099 4.315 ( 5.913 20.135 25.855) 33.300 4.588 ( -2.768 -6.170 7.954) 10.440 4.718 ( 1.948 -6.855 16.314) 17.803 4.868 ( 16.089 4.829 10.275) 19.692 5.308 ( 8.378 -8.745 5.611) 13.347 5.461 ( -3.550 -3.682 -9.449) 10.744 5.563 ( -3.520 -18.952 -5.812) 20.133 5.934 ( 1.936 9.219 -3.714) 10.126 6.006 ( 4.312 6.362 -9.570) 12.274 6.046 ( -2.136 10.181 -1.566) 10.520 6.192 ( 0.814 10.865 2.354) 11.147 6.397 ( -1.286 3.836 -6.666) 7.798 6.719 ( -11.228 7.041 3.815) 13.791 6.884 ( -10.739 3.843 -9.054) 14.563 7.063 ( -4.425 3.462 -9.327) 10.889 7.208 ( 0.080 -5.346 -3.405) 6.339 7.301 ( -0.575 -11.026 -8.032) 13.654 7.425 ( 2.869 -9.520 0.243) 9.946 7.489 ( 9.310 8.460 -3.410) 13.034 7.584 ( 2.982 -3.716 -2.027) 5.178 7.921 ( -2.109 5.429 -6.176) 8.489 7.960 ( 0.305 6.115 -7.565) 9.732 8.025 ( -0.574 5.995 -2.178) 6.404 8.173 ( 4.992 8.880 -16.541) 19.426 8.412 ( -4.934 2.111 -11.418) 12.616 8.651 ( 0.620 -3.233 -11.087) 11.565 8.824 ( 0.528 -6.697 -6.768) 9.536 8.858 ( 7.132 -4.188 1.429) 8.393 9.108 ( 5.399 -5.263 -10.343) 12.800 9.191 ( -2.514 5.621 -1.279) 6.289 9.414 ( 3.035 4.725 -1.835) 5.908 9.545 ( -3.462 2.569 0.928) 4.410 9.575 ( -3.978 -0.736 -11.897) 12.566 9.627 ( -1.977 -1.404 -1.266) 2.735 9.694 ( -1.660 -7.181 1.616) 7.546 10.229 ( -0.017 -5.103 -8.101) 9.574 10.292 ( -1.914 -6.923 -9.844) 12.186 10.459 ( 6.962 -7.899 -3.467) 11.086 10.786 ( -1.195 -15.729 1.806) 15.878 11.736 ( 3.129 3.974 4.270) 6.619 11.929 ( -0.701 0.187 5.335) 5.384 12.158 ( -0.271 6.056 -7.265) 9.462 12.240 ( -0.596 -4.251 3.706) 5.672 12.534 ( -0.212 3.379 15.837) 16.194 12.561 ( -0.860 -1.738 19.205) 19.303 12.991 ( 0.521 -2.123 1.757) 2.805 13.067 ( -1.529 -3.419 2.875) 4.721 13.219 ( 6.892 8.234 11.260) 15.559 13.446 ( 1.690 3.831 7.579) 8.659 13.972 ( -0.980 -2.571 3.107) 4.150 14.190 ( -5.025 -12.164 11.535) 17.501 14.623 ( -0.495 -0.417 2.065) 2.164 14.746 ( -6.438 4.796 -5.131) 9.528 14.931 ( 2.449 1.155 -7.297) 7.784 15.026 ( -0.318 2.716 -11.762) 12.075 15.715 ( 3.642 7.112 -9.220) 12.200 15.963 ( -2.865 -0.383 -14.061) 14.355 16.219 ( 1.686 -5.011 -7.765) 9.394 16.375 ( -2.374 -4.637 -6.623) 8.427 16.852 ( 1.616 1.391 -5.702) 6.088 16.904 ( 4.278 0.941 -2.095) 4.856 17.032 ( -1.996 -0.898 -5.115) 5.564 17.264 ( -5.525 -11.096 5.242) 13.458 24.036 ( 2.463 1.042 3.637) 4.515 24.082 ( 1.988 0.139 1.518) 2.505 24.146 ( -0.340 2.621 1.890) 3.250 24.236 ( -2.205 0.104 3.980) 4.552 24.944 ( 0.235 -1.143 4.183) 4.343 24.976 ( 0.563 -2.062 4.323) 4.822 25.286 ( 3.162 -9.909 2.338) 10.661 25.476 ( -1.580 -13.546 2.758) 13.914 26.434 ( 1.025 18.893 -6.861) 20.126 26.527 ( -1.634 19.195 -12.107) 22.753 26.704 ( 7.420 15.291 -14.070) 22.065 27.212 ( -5.709 4.708 -20.326) 21.631 28.358 ( -1.326 2.063 13.029) 13.258 28.377 ( -0.866 4.340 13.058) 13.788 28.865 ( 8.885 -7.898 19.912) 23.191 29.618 ( -11.705 -23.515 16.286) 30.906 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.673 ( 19.094 18.345 26.751) 37.639 2.964 ( 7.715 19.512 24.525) 32.275 3.113 ( -13.649 20.120 19.178) 30.966 3.357 ( -20.198 21.815 15.931) 33.729 4.289 ( 5.326 -12.115 -1.585) 13.328 4.382 ( -2.409 -10.569 3.310) 11.334 4.553 ( 4.913 16.052 20.088) 26.179 4.693 ( -6.088 4.654 17.749) 19.333 5.185 ( 16.487 -6.054 5.181) 18.311 5.419 ( -8.811 -16.182 -6.311) 19.476 5.492 ( 9.121 9.786 -0.396) 13.383 5.550 ( 11.183 -9.709 4.013) 15.343 5.819 ( -10.282 15.029 14.182) 23.081 5.964 ( -19.085 10.013 9.216) 23.440 6.089 ( 3.946 7.650 -8.017) 11.763 6.098 ( 2.772 6.600 -6.901) 9.943 6.483 ( 10.088 6.715 -9.158) 15.190 6.680 ( -11.344 6.700 -10.025) 16.556 6.725 ( 7.472 2.752 -6.241) 10.117 6.906 ( -11.090 2.304 -9.932) 15.065 7.221 ( 1.764 -7.945 -5.869) 10.034 7.266 ( -2.856 -9.530 -7.211) 12.287 7.489 ( 3.729 -6.758 -2.648) 8.160 7.538 ( -1.201 -4.459 -3.393) 5.730 7.711 ( 7.871 7.634 -0.299) 10.969 7.838 ( -6.168 7.676 -0.752) 9.876 7.989 ( 1.865 4.494 -6.748) 8.320 8.013 ( -0.737 3.901 -5.878) 7.093 8.269 ( 4.763 6.871 -16.121) 18.160 8.339 ( -3.377 3.061 -12.687) 13.480 8.694 ( 4.029 -4.147 -9.543) 11.158 8.779 ( -4.501 -4.723 -7.215) 9.727 8.996 ( 7.059 -0.952 2.619) 7.589 9.109 ( -5.421 2.175 3.803) 6.970 9.256 ( 9.131 -6.354 -12.461) 16.704 9.420 ( -8.400 -5.887 -9.549) 14.014 9.479 ( 3.559 5.064 -2.536) 6.689 9.534 ( -2.369 5.251 -2.978) 6.485 9.608 ( 0.491 -2.072 -1.813) 2.797 9.645 ( -3.057 -5.090 0.014) 5.938 10.235 ( 0.701 -5.076 -8.204) 9.673 10.256 ( -1.661 -5.297 -8.590) 10.228 10.607 ( 8.263 -12.384 -4.359) 15.513 10.731 ( -5.047 -15.133 -2.228) 16.107 11.811 ( 4.752 3.653 3.348) 6.865 11.891 ( -3.581 2.565 3.031) 5.347 12.174 ( 1.982 0.453 -0.926) 2.234 12.215 ( -2.117 -2.826 2.005) 4.060 12.532 ( 0.246 2.697 16.986) 17.200 12.544 ( -0.939 1.766 18.136) 18.246 13.007 ( 1.242 -2.840 1.736) 3.553 13.035 ( -1.792 -3.334 2.123) 4.340 13.366 ( 7.945 7.274 11.580) 15.816 13.457 ( -1.585 5.340 9.702) 11.188 13.972 ( 1.900 -4.862 4.088) 6.631 14.063 ( -7.640 -8.704 7.752) 13.936 14.623 ( 0.893 1.800 0.757) 2.147 14.659 ( -3.165 3.506 -0.334) 4.735 14.970 ( 2.040 1.222 -8.330) 8.662 15.005 ( -1.765 1.534 -10.319) 10.581 15.798 ( 5.241 4.654 -11.360) 13.349 15.892 ( -4.787 1.902 -13.100) 14.076 16.261 ( 2.956 -4.844 -6.779) 8.840 16.321 ( -3.384 -4.730 -6.369) 8.624 16.900 ( 3.353 0.626 -6.588) 7.419 16.957 ( -1.733 0.220 -6.253) 6.492 17.027 ( 4.659 -2.132 0.886) 5.200 17.144 ( -7.134 -5.861 3.451) 9.857 24.092 ( 3.205 1.399 3.691) 5.085 24.119 ( 1.533 0.852 1.986) 2.650 24.136 ( -0.231 1.430 2.025) 2.490 24.182 ( -3.485 0.143 3.400) 4.871 24.956 ( 1.023 -1.274 4.606) 4.887 24.974 ( -0.715 -1.595 4.834) 5.141 25.358 ( 4.431 -12.108 1.803) 13.018 25.431 ( -3.370 -13.171 2.207) 13.773 26.460 ( 1.776 18.173 -7.157) 19.612 26.494 ( -1.926 17.891 -8.389) 19.853 26.875 ( 10.750 12.258 -18.799) 24.884 27.067 ( -9.880 7.788 -20.241) 23.832 28.345 ( 0.025 2.914 13.168) 13.487 28.357 ( -1.100 3.877 13.174) 13.777 29.077 ( 14.127 -11.567 19.637) 26.814 29.356 ( -15.958 -17.073 18.645) 29.896 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.828 ( 0.000 29.005 21.014) 35.818 3.169 ( 0.000 27.052 21.494) 34.551 3.819 ( 0.000 -2.124 5.411) 5.813 4.024 ( 0.000 -7.609 9.653) 12.291 4.126 ( 0.000 -13.328 10.347) 16.873 4.393 ( 0.000 -4.369 13.958) 14.626 4.549 ( 0.000 10.132 7.531) 12.624 4.760 ( 0.000 8.067 1.580) 8.220 5.047 ( 0.000 9.563 18.334) 20.678 5.096 ( 0.000 -7.223 12.048) 14.048 5.382 ( 0.000 13.546 7.768) 15.615 5.389 ( 0.000 3.636 -3.125) 4.795 6.003 ( 0.000 -1.607 3.366) 3.730 6.067 ( 0.000 -1.093 -12.519) 12.567 6.126 ( 0.000 -3.462 5.850) 6.798 6.308 ( 0.000 14.824 -12.468) 19.370 6.543 ( 0.000 6.327 -12.624) 14.121 6.885 ( 0.000 -21.777 5.743) 22.521 7.014 ( 0.000 -2.352 -9.166) 9.463 7.017 ( 0.000 -6.280 -5.714) 8.490 7.168 ( 0.000 4.318 1.771) 4.667 7.174 ( 0.000 -0.496 -5.015) 5.040 7.359 ( 0.000 4.755 0.424) 4.774 7.480 ( 0.000 -3.381 -2.876) 4.438 7.610 ( 0.000 17.170 -5.795) 18.121 8.029 ( 0.000 4.878 -11.355) 12.358 8.080 ( 0.000 4.624 -5.664) 7.312 8.117 ( 0.000 1.936 -5.339) 5.679 8.371 ( 0.000 15.393 -12.009) 19.523 8.451 ( 0.000 -13.005 -12.610) 18.114 8.587 ( 0.000 0.083 -10.611) 10.611 8.608 ( 0.000 -3.294 -4.248) 5.375 8.677 ( 0.000 -5.036 -4.253) 6.592 9.060 ( 0.000 3.500 -11.114) 11.652 9.200 ( 0.000 -19.343 -6.617) 20.443 9.361 ( 0.000 -0.223 4.567) 4.572 9.544 ( 0.000 8.243 -4.569) 9.425 9.675 ( 0.000 3.617 0.052) 3.618 9.743 ( 0.000 6.353 -7.032) 9.477 9.766 ( 0.000 6.226 2.496) 6.708 10.120 ( 0.000 -4.916 -8.721) 10.011 10.138 ( 0.000 -7.748 -6.604) 10.181 10.246 ( 0.000 -8.179 -4.000) 9.105 10.452 ( 0.000 -18.327 3.576) 18.673 11.810 ( 0.000 6.324 3.329) 7.147 11.935 ( 0.000 1.077 7.455) 7.532 12.144 ( 0.000 -4.184 3.983) 5.777 12.213 ( 0.000 -5.135 -4.896) 7.095 12.587 ( 0.000 5.713 10.636) 12.074 12.616 ( 0.000 4.060 11.113) 11.831 12.941 ( 0.000 -2.296 5.262) 5.741 13.008 ( 0.000 -4.087 6.118) 7.358 13.320 ( 0.000 7.981 10.624) 13.288 13.474 ( 0.000 1.106 6.392) 6.487 13.928 ( 0.000 -3.326 7.702) 8.390 14.004 ( 0.000 -9.640 15.488) 18.243 14.659 ( 0.000 4.475 0.266) 4.483 14.854 ( 0.000 -2.109 -7.926) 8.202 14.949 ( 0.000 4.292 -5.904) 7.300 15.062 ( 0.000 -0.266 -8.824) 8.828 15.865 ( 0.000 10.348 -11.361) 15.367 15.981 ( 0.000 0.634 -14.635) 14.649 16.103 ( 0.000 -4.668 -11.315) 12.240 16.270 ( 0.000 -8.229 -9.569) 12.621 16.873 ( 0.000 0.796 -3.588) 3.675 16.875 ( 0.000 0.723 -3.576) 3.648 17.042 ( 0.000 -0.040 -4.089) 4.090 17.128 ( 0.000 -6.009 1.895) 6.301 24.033 ( 0.000 1.047 2.837) 3.024 24.061 ( 0.000 -0.227 1.829) 1.843 24.206 ( 0.000 2.709 2.034) 3.388 24.258 ( 0.000 -0.048 3.323) 3.323 24.937 ( 0.000 0.300 3.576) 3.588 24.944 ( 0.000 0.514 3.496) 3.533 25.114 ( 0.000 -5.570 4.985) 7.475 25.239 ( 0.000 -11.097 5.034) 12.186 26.782 ( 0.000 14.856 -10.292) 18.073 26.860 ( 0.000 9.395 -17.746) 20.080 26.879 ( 0.000 12.120 -9.957) 15.685 27.276 ( 0.000 -3.158 -17.369) 17.654 28.403 ( 0.000 3.074 14.926) 15.239 28.553 ( 0.000 11.339 15.027) 18.825 28.641 ( 0.000 -7.213 17.644) 19.061 29.238 ( 0.000 -22.868 17.297) 28.673 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.888 ( 6.912 27.104 21.187) 35.090 3.243 ( 7.647 25.811 19.631) 33.318 3.729 ( -10.292 8.539 10.100) 16.759 3.977 ( -3.844 -7.439 9.892) 12.960 4.034 ( -8.905 -7.550 7.219) 13.726 4.303 ( -13.551 5.518 11.753) 18.768 4.469 ( 4.581 -16.575 10.118) 19.953 4.893 ( -2.167 7.654 -2.442) 8.321 5.079 ( 11.377 -3.326 18.226) 21.741 5.133 ( 2.674 -0.836 10.236) 10.612 5.294 ( -5.134 4.587 2.664) 7.382 5.507 ( 9.896 14.749 1.377) 17.814 5.943 ( -5.432 -9.102 1.794) 10.751 6.172 ( 9.768 11.914 3.156) 15.726 6.199 ( 5.890 1.424 -5.815) 8.398 6.362 ( 5.321 9.135 -9.205) 14.018 6.548 ( 0.034 7.826 -10.658) 13.223 6.811 ( -6.628 -2.853 -0.798) 7.260 6.953 ( -6.673 -0.204 -5.570) 8.695 7.073 ( 2.621 -11.046 -1.270) 11.424 7.087 ( -3.088 -2.188 -7.836) 8.702 7.166 ( -2.402 1.271 -0.941) 2.876 7.271 ( -5.637 0.624 -1.434) 5.850 7.464 ( -1.860 -4.970 -1.420) 5.493 7.735 ( 9.086 12.559 -3.792) 15.958 8.024 ( -0.889 4.782 -7.963) 9.331 8.077 ( -0.186 4.815 -6.265) 7.903 8.099 ( -1.863 1.671 -5.595) 6.129 8.375 ( 0.213 6.967 -13.241) 14.964 8.422 ( -1.116 2.666 -12.408) 12.741 8.589 ( -0.239 -4.124 -5.928) 7.226 8.678 ( 5.854 -4.552 -8.649) 11.393 8.742 ( 6.626 -6.117 -2.250) 9.294 9.042 ( -1.317 -1.570 -11.057) 11.245 9.162 ( -3.801 -15.448 -6.856) 17.323 9.323 ( -4.624 -3.369 2.867) 6.400 9.564 ( 2.204 8.361 -4.319) 9.665 9.670 ( -0.440 4.689 -0.706) 4.762 9.721 ( -1.588 8.186 -3.927) 9.217 9.759 ( -1.202 6.667 -1.785) 7.006 10.115 ( 0.040 -5.393 -7.540) 9.270 10.146 ( 0.042 -6.643 -8.144) 10.510 10.273 ( 3.144 -9.961 -2.981) 10.863 10.448 ( -0.691 -17.866 2.160) 18.009 11.828 ( 1.966 5.562 3.361) 6.790 11.941 ( 0.392 1.390 6.931) 7.080 12.129 ( -1.433 -4.629 3.160) 5.785 12.188 ( -2.481 -5.222 -3.371) 6.692 12.596 ( 1.260 6.211 11.124) 12.802 12.637 ( 1.631 5.331 10.682) 12.049 12.935 ( -0.558 -3.211 4.814) 5.814 12.989 ( -1.866 -4.418 5.556) 7.340 13.378 ( 5.964 7.492 11.454) 14.930 13.505 ( 2.981 1.923 7.243) 8.065 13.901 ( -2.741 -4.135 7.508) 8.999 13.968 ( -3.974 -9.631 14.758) 18.065 14.671 ( 1.382 5.184 -0.254) 5.371 14.838 ( -2.246 2.748 -7.300) 8.117 14.937 ( -0.343 0.473 -5.439) 5.470 15.046 ( -1.779 -0.946 -8.677) 8.908 15.880 ( 1.508 9.377 -11.741) 15.102 15.973 ( -0.860 1.612 -14.422) 14.538 16.118 ( 1.592 -4.939 -10.740) 11.928 16.252 ( -1.889 -7.742 -9.358) 12.292 16.878 ( 1.275 1.170 -4.478) 4.801 16.910 ( 2.877 -0.293 -2.673) 3.939 17.023 ( -2.022 0.031 -4.120) 4.590 17.106 ( -2.361 -5.309 1.273) 5.948 24.057 ( 2.528 1.045 2.934) 4.012 24.083 ( 2.184 -0.143 1.868) 2.878 24.198 ( -0.985 2.378 2.055) 3.294 24.239 ( -2.033 0.089 3.306) 3.882 24.936 ( 0.428 0.724 3.735) 3.828 24.960 ( 0.987 0.607 4.076) 4.237 25.120 ( 0.866 -6.636 4.349) 7.982 25.229 ( -1.211 -10.924 4.706) 11.956 26.784 ( 0.376 14.569 -10.565) 18.001 26.844 ( -1.101 13.858 -12.142) 18.458 26.928 ( 4.515 6.955 -15.369) 17.463 27.241 ( -3.744 -2.315 -17.343) 17.893 28.408 ( 0.672 4.221 14.908) 15.508 28.532 ( -2.164 10.751 14.911) 18.509 28.696 ( 5.794 -8.875 17.882) 20.787 29.174 ( -6.788 -21.051 17.620) 28.279 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.082 ( 14.199 22.494 20.482) 33.572 3.334 ( -7.147 18.261 17.442) 26.244 3.568 ( 3.418 25.009 15.499) 29.620 3.791 ( -14.953 20.319 10.463) 27.312 3.979 ( 2.763 -19.185 7.195) 20.675 4.090 ( -9.225 -12.860 9.354) 18.384 4.601 ( 8.981 -18.997 6.043) 21.865 4.768 ( -8.852 -10.086 4.300) 14.092 5.142 ( 0.866 6.555 7.755) 10.191 5.178 ( -3.163 4.479 7.144) 9.006 5.401 ( 14.886 -5.312 3.785) 16.252 5.609 ( -4.797 -1.860 -0.929) 5.228 5.953 ( 11.183 9.768 8.172) 16.949 6.196 ( -8.078 10.323 -4.137) 13.745 6.358 ( 3.416 16.072 0.191) 16.432 6.380 ( 0.303 12.753 3.087) 13.125 6.615 ( 9.237 4.200 -6.942) 12.294 6.775 ( 2.508 2.785 -9.408) 10.127 6.806 ( -7.015 4.252 -5.806) 10.050 6.947 ( -10.681 3.253 -6.428) 12.884 7.083 ( 0.482 -3.979 -7.340) 8.363 7.132 ( -3.981 -4.146 -7.014) 9.068 7.289 ( 7.158 -12.801 4.020) 15.208 7.406 ( -4.854 -8.964 1.102) 10.254 7.876 ( 6.529 8.707 -3.815) 11.533 7.977 ( -4.511 6.461 -4.060) 8.865 8.071 ( 0.051 2.619 -6.508) 7.015 8.079 ( -0.496 2.224 -6.370) 6.765 8.387 ( 1.353 3.673 -11.647) 12.287 8.411 ( -0.876 7.262 -12.444) 14.435 8.617 ( 3.248 -3.962 -7.426) 9.022 8.688 ( -3.422 -4.093 -6.134) 8.130 8.927 ( 11.196 -5.274 1.327) 12.447 9.054 ( 2.581 -8.480 -9.610) 13.074 9.080 ( -4.166 -9.936 -7.029) 12.865 9.193 ( -9.101 -9.418 -4.059) 13.711 9.614 ( 2.942 8.331 -3.098) 9.363 9.657 ( -1.463 7.168 -1.382) 7.445 9.705 ( 0.201 8.943 -4.324) 9.936 9.728 ( -1.917 7.894 -4.284) 9.184 10.123 ( 0.696 -5.457 -7.407) 9.226 10.137 ( -0.783 -5.684 -7.871) 9.740 10.347 ( 4.447 -13.394 -2.100) 14.268 10.417 ( -2.929 -16.220 -0.364) 16.486 11.878 ( 3.333 4.010 3.697) 6.392 11.931 ( -1.960 2.634 5.214) 6.161 12.112 ( 0.230 -5.610 1.622) 5.845 12.140 ( -2.469 -5.609 -0.218) 6.132 12.629 ( 2.053 7.581 11.236) 13.709 12.653 ( -0.207 7.467 11.042) 13.331 12.930 ( 0.349 -5.009 4.065) 6.460 12.952 ( -1.915 -5.192 4.489) 7.125 13.504 ( 6.545 6.703 12.654) 15.744 13.555 ( 1.262 4.733 10.067) 11.195 13.850 ( -1.837 -6.933 7.666) 10.499 13.877 ( -4.765 -9.345 11.520) 15.580 14.710 ( 2.947 6.643 -1.614) 7.444 14.775 ( -4.004 7.175 -4.103) 9.184 14.956 ( 2.132 -2.782 -6.678) 7.542 15.002 ( -2.774 -2.170 -7.957) 8.702 15.914 ( 2.105 6.952 -12.677) 14.611 15.950 ( -1.709 4.031 -13.713) 14.395 16.157 ( 2.616 -5.639 -9.720) 11.538 16.208 ( -2.823 -6.673 -9.201) 11.712 16.916 ( 2.736 1.022 -4.904) 5.708 16.961 ( -0.039 0.072 -3.982) 3.983 16.987 ( 0.904 -1.540 -2.069) 2.733 17.049 ( -3.729 -3.781 -0.039) 5.311 24.116 ( 3.713 1.011 3.127) 4.959 24.130 ( 2.761 0.334 1.996) 3.424 24.170 ( -2.038 1.545 2.160) 3.347 24.188 ( -3.439 0.365 3.114) 4.653 24.951 ( 1.050 1.115 4.324) 4.587 24.967 ( -0.384 1.169 4.694) 4.853 25.150 ( 2.375 -8.834 3.554) 9.813 25.196 ( -2.369 -10.275 3.951) 11.260 26.798 ( 1.109 14.664 -10.638) 18.150 26.821 ( -1.338 14.839 -10.827) 18.418 27.030 ( 6.473 3.291 -16.811) 18.313 27.148 ( -6.214 0.024 -17.233) 18.319 28.434 ( 2.214 6.562 14.870) 16.403 28.483 ( -3.019 8.963 14.867) 17.620 28.836 ( 9.303 -12.483 18.146) 23.909 29.015 ( -10.005 -16.907 18.089) 26.705 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.404 ( 0.000 -27.536 13.127) 30.505 3.404 ( 0.000 27.536 13.127) 30.505 3.690 ( 0.000 -22.160 13.274) 25.831 3.690 ( 0.000 22.160 13.274) 25.831 4.199 ( 0.000 -11.065 12.968) 17.047 4.199 ( 0.000 11.065 12.968) 17.047 4.829 ( 0.000 -14.506 13.792) 20.017 4.829 ( 0.000 14.506 13.792) 20.017 4.927 ( 0.000 -8.168 -6.193) 10.250 4.927 ( 0.000 8.168 -6.193) 10.250 5.675 ( 0.000 -18.404 7.809) 19.992 5.675 ( 0.000 18.404 7.809) 19.992 5.929 ( 0.000 -15.145 -4.993) 15.947 5.929 ( 0.000 15.145 -4.993) 15.947 6.356 ( 0.000 -24.729 18.544) 30.910 6.356 ( 0.000 24.729 18.544) 30.910 6.549 ( 0.000 -8.046 -15.527) 17.488 6.549 ( 0.000 8.046 -15.527) 17.488 6.943 ( 0.000 -2.190 -8.802) 9.071 6.943 ( 0.000 2.190 -8.802) 9.071 7.218 ( 0.000 -0.675 -1.681) 1.812 7.218 ( 0.000 0.675 -1.681) 1.812 7.427 ( 0.000 -2.356 -3.110) 3.901 7.427 ( 0.000 2.356 -3.110) 3.901 7.963 ( 0.000 -16.325 -7.074) 17.792 7.963 ( 0.000 16.325 -7.074) 17.792 8.110 ( 0.000 -2.371 -9.508) 9.799 8.110 ( 0.000 2.371 -9.508) 9.799 8.395 ( 0.000 -7.412 -7.404) 10.477 8.395 ( 0.000 7.412 -7.404) 10.477 8.626 ( 0.000 -0.517 -9.809) 9.822 8.626 ( 0.000 0.517 -9.809) 9.822 8.779 ( 0.000 -21.191 -9.480) 23.215 8.779 ( 0.000 21.191 -9.480) 23.215 9.230 ( 0.000 -11.262 0.179) 11.263 9.230 ( 0.000 11.262 0.179) 11.263 9.690 ( 0.000 -4.376 -3.274) 5.465 9.690 ( 0.000 4.376 -3.274) 5.465 9.845 ( 0.000 -1.098 -2.104) 2.373 9.845 ( 0.000 1.098 -2.104) 2.373 10.101 ( 0.000 -0.964 -3.820) 3.940 10.101 ( 0.000 0.964 -3.820) 3.940 10.140 ( 0.000 -5.923 -3.170) 6.718 10.140 ( 0.000 5.923 -3.170) 6.718 11.927 ( 0.000 -3.715 3.630) 5.194 11.927 ( 0.000 3.715 3.630) 5.194 12.109 ( 0.000 -2.071 3.882) 4.400 12.109 ( 0.000 2.071 3.882) 4.400 12.665 ( 0.000 -0.275 5.686) 5.693 12.665 ( 0.000 0.275 5.686) 5.693 12.935 ( 0.000 -2.389 8.064) 8.411 12.935 ( 0.000 2.389 8.064) 8.411 13.448 ( 0.000 -4.294 8.002) 9.082 13.448 ( 0.000 4.294 8.002) 9.082 13.893 ( 0.000 -1.155 13.455) 13.504 13.893 ( 0.000 1.155 13.455) 13.504 14.772 ( 0.000 -5.829 -4.033) 7.088 14.772 ( 0.000 5.829 -4.033) 7.088 15.025 ( 0.000 -3.148 -6.995) 7.671 15.025 ( 0.000 3.148 -6.995) 7.671 16.012 ( 0.000 -1.439 -12.518) 12.600 16.012 ( 0.000 1.439 -12.518) 12.600 16.089 ( 0.000 -8.902 -12.443) 15.299 16.089 ( 0.000 8.902 -12.443) 15.299 16.881 ( 0.000 -0.055 -3.551) 3.551 16.881 ( 0.000 0.055 -3.551) 3.551 17.057 ( 0.000 -1.793 -1.699) 2.470 17.057 ( 0.000 1.793 -1.699) 2.470 24.051 ( 0.000 -0.764 2.246) 2.373 24.051 ( 0.000 0.764 2.246) 2.373 24.247 ( 0.000 -1.266 2.465) 2.771 24.247 ( 0.000 1.266 2.465) 2.771 24.955 ( 0.000 -0.816 2.890) 3.003 24.955 ( 0.000 0.816 2.890) 3.003 25.081 ( 0.000 -3.862 6.362) 7.442 25.081 ( 0.000 3.862 6.362) 7.442 26.933 ( 0.000 -1.591 -14.131) 14.220 26.933 ( 0.000 1.591 -14.131) 14.220 27.131 ( 0.000 -11.340 -13.485) 17.620 27.131 ( 0.000 11.340 -13.485) 17.620 28.499 ( 0.000 -6.375 16.366) 17.564 28.499 ( 0.000 6.375 16.366) 17.564 28.840 ( 0.000 -17.461 16.417) 23.967 28.840 ( 0.000 17.461 16.417) 23.967 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.426 ( 2.902 -25.621 13.339) 29.031 3.426 ( 2.902 25.621 13.339) 29.031 3.730 ( 3.071 -18.662 11.585) 22.179 3.730 ( 3.071 18.662 11.585) 22.179 4.127 ( -6.072 -15.367 13.475) 21.321 4.127 ( -6.072 15.367 13.475) 21.321 4.615 ( -15.084 -20.158 7.761) 26.346 4.615 ( -15.084 20.158 7.761) 26.346 5.103 ( 10.993 -3.597 0.628) 11.583 5.103 ( 10.993 3.597 0.628) 11.583 5.578 ( -7.831 -16.535 4.962) 18.957 5.578 ( -7.831 16.535 4.962) 18.957 6.030 ( 9.360 -17.205 -0.527) 19.593 6.030 ( 9.360 17.205 -0.527) 19.593 6.480 ( 10.424 -17.230 10.166) 22.559 6.480 ( 10.424 17.230 10.166) 22.559 6.577 ( 2.705 -8.474 -10.313) 13.619 6.577 ( 2.705 8.474 -10.313) 13.619 6.915 ( -1.617 -4.116 -7.222) 8.468 6.915 ( -1.617 4.116 -7.222) 8.468 7.172 ( -4.913 -3.955 -3.966) 7.451 7.172 ( -4.913 3.955 -3.966) 7.451 7.356 ( -7.000 -5.976 -0.740) 9.234 7.356 ( -7.000 5.976 -0.740) 9.234 7.990 ( 2.275 -11.518 -7.326) 13.839 7.990 ( 2.275 11.518 -7.326) 13.839 8.105 ( -0.749 -1.801 -7.747) 7.989 8.105 ( -0.749 1.801 -7.747) 7.989 8.428 ( 3.168 -7.837 -7.744) 11.465 8.428 ( 3.168 7.837 -7.744) 11.465 8.655 ( 0.891 -2.616 -5.959) 6.568 8.655 ( 0.891 2.616 -5.959) 6.568 8.750 ( -0.029 -17.473 -13.055) 21.811 8.750 ( -0.029 17.473 -13.055) 21.811 9.186 ( -4.979 -9.329 -0.295) 10.578 9.186 ( -4.979 9.329 -0.295) 10.578 9.712 ( 2.247 -4.060 -3.920) 6.074 9.712 ( 2.247 4.060 -3.920) 6.074 9.834 ( -1.140 -1.261 -3.058) 3.499 9.834 ( -1.140 1.261 -3.058) 3.499 10.105 ( 0.538 -5.235 -3.564) 6.356 10.105 ( 0.538 5.235 -3.564) 6.356 10.145 ( 0.289 -8.278 -2.994) 8.808 10.145 ( 0.289 8.278 -2.994) 8.808 11.938 ( 1.245 -3.879 3.501) 5.371 11.938 ( 1.245 3.879 3.501) 5.371 12.085 ( -2.478 -2.281 3.568) 4.907 12.085 ( -2.478 2.281 3.568) 4.907 12.694 ( 3.026 -1.516 5.821) 6.734 12.694 ( 3.026 1.516 5.821) 6.734 12.910 ( -2.595 -2.196 7.728) 8.443 12.910 ( -2.595 2.196 7.728) 8.443 13.495 ( 5.018 -3.621 8.746) 10.713 13.495 ( 5.018 3.621 8.746) 10.713 13.854 ( -4.136 -1.041 13.100) 13.776 13.854 ( -4.136 1.041 13.100) 13.776 14.792 ( 2.170 -5.833 -4.179) 7.496 14.792 ( 2.170 5.833 -4.179) 7.496 14.994 ( -3.143 -3.837 -6.597) 8.253 14.994 ( -3.143 3.837 -6.597) 8.253 16.021 ( 0.949 -2.313 -12.325) 12.576 16.021 ( 0.949 2.313 -12.325) 12.576 16.083 ( -0.648 -8.134 -12.324) 14.781 16.083 ( -0.648 8.134 -12.324) 14.781 16.898 ( 1.751 -0.858 -3.501) 4.007 16.898 ( 1.751 0.858 -3.501) 4.007 17.039 ( -1.867 -1.842 -1.975) 3.284 17.039 ( -1.867 1.842 -1.975) 3.284 24.075 ( 2.422 -0.699 2.316) 3.423 24.075 ( 2.422 0.699 2.316) 3.423 24.232 ( -1.627 -1.005 2.495) 3.144 24.232 ( -1.627 1.005 2.495) 3.144 24.969 ( 1.458 -1.629 3.138) 3.825 24.969 ( 1.458 1.629 3.138) 3.825 25.071 ( -1.079 -3.850 5.976) 7.190 25.071 ( -1.079 3.850 5.976) 7.190 26.952 ( 1.998 -3.095 -14.085) 14.559 26.952 ( 1.998 3.095 -14.085) 14.559 27.112 ( -2.004 -10.562 -13.565) 17.308 27.112 ( -2.004 10.562 -13.565) 17.308 28.527 ( 3.011 -7.644 16.434) 18.373 28.527 ( 3.011 7.644 16.434) 18.373 28.803 ( -3.969 -16.413 16.493) 23.604 28.803 ( -3.969 16.413 16.493) 23.604 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.527 ( 8.396 -20.313 13.036) 25.555 3.527 ( 8.396 20.313 13.036) 25.555 3.697 ( -8.091 -13.363 11.597) 19.456 3.697 ( -8.091 13.363 11.597) 19.456 4.117 ( 7.453 -26.417 11.440) 29.736 4.117 ( 7.453 26.417 11.440) 29.736 4.337 ( -14.915 -25.263 8.463) 30.533 4.337 ( -14.915 25.263 8.463) 30.533 5.284 ( 9.010 -5.878 2.632) 11.075 5.284 ( 9.010 5.878 2.632) 11.075 5.435 ( -7.926 -12.996 4.003) 15.740 5.435 ( -7.926 12.996 4.003) 15.740 6.241 ( 13.253 -13.617 -1.854) 19.092 6.241 ( 13.253 13.617 -1.854) 19.092 6.464 ( -9.702 -9.361 -6.638) 15.028 6.464 ( -9.702 9.361 -6.638) 15.028 6.758 ( 12.963 -11.865 2.519) 17.752 6.758 ( 12.963 11.865 2.519) 17.752 6.920 ( -1.665 -8.744 -2.151) 9.157 6.920 ( -1.665 8.744 -2.151) 9.157 7.083 ( -0.680 -5.661 -5.156) 7.687 7.083 ( -0.680 5.661 -5.156) 7.687 7.202 ( -9.429 -10.242 1.316) 13.983 7.202 ( -9.429 10.242 1.316) 13.983 8.033 ( 2.498 -5.898 -6.851) 9.379 8.033 ( 2.498 5.898 -6.851) 9.379 8.078 ( -2.246 -2.540 -6.145) 7.018 8.078 ( -2.246 2.540 -6.145) 7.018 8.496 ( 4.343 -7.549 -8.845) 12.413 8.496 ( 4.343 7.549 -8.845) 12.413 8.587 ( -5.538 -8.392 -8.111) 12.918 8.587 ( -5.538 8.392 -8.111) 12.918 8.869 ( 10.168 -2.799 -8.124) 13.312 8.869 ( 10.168 2.799 -8.124) 13.312 9.054 ( -9.349 -4.915 -2.851) 10.940 9.054 ( -9.349 4.915 -2.851) 10.940 9.760 ( 2.743 -2.956 -4.769) 6.245 9.760 ( 2.743 2.956 -4.769) 6.245 9.804 ( -2.122 -1.910 -4.498) 5.328 9.804 ( -2.122 1.910 -4.498) 5.328 10.122 ( 1.232 -7.599 -3.076) 8.290 10.122 ( 1.232 7.599 -3.076) 8.290 10.142 ( -0.725 -8.885 -2.870) 9.365 10.142 ( -0.725 8.885 -2.870) 9.365 11.973 ( 2.641 -3.720 3.229) 5.590 11.973 ( 2.641 3.720 3.229) 5.590 12.029 ( -3.367 -2.973 3.180) 5.503 12.029 ( -3.367 2.973 3.180) 5.503 12.765 ( 4.510 -2.091 6.234) 7.973 12.765 ( 4.510 2.091 6.234) 7.973 12.847 ( -4.237 -2.052 6.956) 8.399 12.847 ( -4.237 2.052 6.956) 8.399 13.614 ( 7.566 -1.949 10.414) 13.019 13.614 ( 7.566 1.949 10.414) 13.019 13.750 ( -7.062 -0.590 12.044) 13.975 13.750 ( -7.062 0.590 12.044) 13.975 14.847 ( 3.797 -5.645 -4.717) 8.278 14.847 ( 3.797 5.645 -4.717) 8.278 14.923 ( -4.378 -4.968 -5.652) 8.706 14.923 ( -4.378 4.968 -5.652) 8.706 16.042 ( 1.348 -4.087 -12.064) 12.808 16.042 ( 1.348 4.087 -12.064) 12.808 16.066 ( -1.176 -6.242 -12.098) 13.664 16.066 ( -1.176 6.242 -12.098) 13.664 16.941 ( 2.848 -1.492 -3.217) 4.548 16.941 ( 2.848 1.492 -3.217) 4.548 16.994 ( -2.918 -1.811 -2.618) 4.318 16.994 ( -2.918 1.811 -2.618) 4.318 24.130 ( 3.429 -0.356 2.451) 4.230 24.130 ( 3.429 0.356 2.451) 4.230 24.190 ( -2.949 -0.370 2.521) 3.897 24.190 ( -2.949 0.370 2.521) 3.897 25.004 ( 2.230 -2.788 3.896) 5.285 25.004 ( 2.230 2.788 3.896) 5.285 25.043 ( -1.990 -3.580 4.998) 6.462 25.043 ( -1.990 3.580 4.998) 6.462 27.001 ( 3.279 -5.737 -13.950) 15.436 27.001 ( 3.279 5.737 -13.950) 15.436 27.062 ( -3.284 -8.476 -13.753) 16.485 27.062 ( -3.284 8.476 -13.753) 16.485 28.604 ( 5.330 -10.519 16.561) 20.330 28.604 ( 5.330 10.519 16.561) 20.330 28.709 ( -5.917 -13.767 16.594) 22.358 28.709 ( -5.917 13.767 16.594) 22.358 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( 0.000 0.000 41.075) 41.075 2.752 ( 0.000 0.000 41.523) 41.523 3.488 ( 0.000 0.000 0.330) 0.330 3.540 ( 0.000 0.000 20.954) 20.954 4.336 ( 0.000 0.000 7.560) 7.560 4.506 ( 0.000 0.000 7.886) 7.886 4.674 ( 0.000 0.000 27.399) 27.399 5.065 ( 0.000 0.000 -8.252) 8.252 5.084 ( 0.000 0.000 -14.399) 14.399 5.159 ( 0.000 0.000 6.244) 6.244 5.273 ( 0.000 0.000 -16.662) 16.662 5.420 ( 0.000 0.000 -17.913) 17.913 5.702 ( 0.000 0.000 -8.990) 8.990 5.743 ( 0.000 0.000 8.603) 8.603 5.964 ( 0.000 0.000 1.230) 1.230 6.030 ( 0.000 0.000 -9.700) 9.700 6.289 ( 0.000 0.000 8.061) 8.061 6.832 ( 0.000 0.000 3.186) 3.186 6.883 ( 0.000 0.000 -17.042) 17.042 6.893 ( 0.000 0.000 -5.794) 5.794 6.901 ( 0.000 0.000 -3.419) 3.419 7.309 ( 0.000 0.000 -14.700) 14.700 7.344 ( 0.000 0.000 -7.116) 7.116 7.442 ( 0.000 0.000 -8.525) 8.525 7.496 ( 0.000 0.000 -7.234) 7.234 7.677 ( 0.000 0.000 4.436) 4.436 7.729 ( 0.000 0.000 10.067) 10.067 7.879 ( 0.000 0.000 4.641) 4.641 7.916 ( 0.000 0.000 0.824) 0.824 8.145 ( 0.000 0.000 -14.946) 14.946 8.484 ( 0.000 0.000 4.264) 4.264 8.690 ( 0.000 0.000 -8.623) 8.623 9.050 ( 0.000 0.000 -0.559) 0.559 9.051 ( 0.000 0.000 -13.283) 13.283 9.067 ( 0.000 0.000 3.701) 3.701 9.155 ( 0.000 0.000 -4.406) 4.406 9.247 ( 0.000 0.000 -3.300) 3.300 9.442 ( 0.000 0.000 -0.330) 0.330 10.042 ( 0.000 0.000 5.084) 5.084 10.111 ( 0.000 0.000 -7.526) 7.526 10.133 ( 0.000 0.000 -3.858) 3.858 10.251 ( 0.000 0.000 -4.812) 4.812 10.276 ( 0.000 0.000 -9.525) 9.525 10.815 ( 0.000 0.000 -16.770) 16.770 11.740 ( 0.000 0.000 6.061) 6.061 11.777 ( 0.000 0.000 6.842) 6.842 12.333 ( 0.000 0.000 2.578) 2.578 12.526 ( 0.000 0.000 2.606) 2.606 12.795 ( 0.000 0.000 12.550) 12.550 12.888 ( 0.000 0.000 12.312) 12.312 13.023 ( 0.000 0.000 -0.182) 0.182 13.142 ( 0.000 0.000 -0.629) 0.629 13.160 ( 0.000 0.000 11.022) 11.022 13.546 ( 0.000 0.000 9.772) 9.772 14.016 ( 0.000 0.000 2.305) 2.305 14.529 ( 0.000 0.000 -11.892) 11.892 14.595 ( 0.000 0.000 -9.647) 9.647 14.665 ( 0.000 0.000 -4.030) 4.030 14.752 ( 0.000 0.000 6.546) 6.546 14.829 ( 0.000 0.000 4.819) 4.819 15.479 ( 0.000 0.000 -2.353) 2.353 15.743 ( 0.000 0.000 -15.445) 15.445 16.255 ( 0.000 0.000 -3.985) 3.985 16.346 ( 0.000 0.000 -6.239) 6.239 16.632 ( 0.000 0.000 -7.344) 7.344 16.709 ( 0.000 0.000 -7.057) 7.057 17.084 ( 0.000 0.000 6.355) 6.355 17.840 ( 0.000 0.000 -5.008) 5.008 24.069 ( 0.000 0.000 2.616) 2.616 24.080 ( 0.000 0.000 1.125) 1.125 24.143 ( 0.000 0.000 4.029) 4.029 24.338 ( 0.000 0.000 2.688) 2.688 25.077 ( 0.000 0.000 4.437) 4.437 25.150 ( 0.000 0.000 4.433) 4.433 25.515 ( 0.000 0.000 -0.073) 0.073 25.658 ( 0.000 0.000 1.241) 1.241 25.867 ( 0.000 0.000 -3.363) 3.363 25.953 ( 0.000 0.000 2.935) 2.935 26.181 ( 0.000 0.000 -2.006) 2.006 26.607 ( 0.000 0.000 -23.612) 23.612 28.504 ( 0.000 0.000 11.329) 11.329 28.630 ( 0.000 0.000 9.611) 9.611 29.373 ( 0.000 0.000 20.559) 20.559 30.399 ( 0.000 0.000 -6.051) 6.051 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.818 ( 7.292 0.000 38.452) 39.137 2.825 ( 7.870 0.000 39.687) 40.459 3.412 ( -8.075 0.000 6.260) 10.218 3.471 ( -7.757 0.000 24.042) 25.262 4.315 ( -0.874 0.000 1.413) 1.662 4.531 ( 3.876 0.000 4.449) 5.900 4.642 ( -6.003 0.000 1.919) 6.302 5.057 ( -4.676 0.000 -11.388) 12.311 5.059 ( 6.850 0.000 26.083) 26.968 5.230 ( -1.983 0.000 -17.176) 17.290 5.310 ( 12.161 0.000 1.571) 12.262 5.407 ( -4.861 0.000 -18.982) 19.595 5.749 ( 10.466 0.000 -7.593) 12.930 5.801 ( 4.485 0.000 2.918) 5.351 6.054 ( 6.943 0.000 3.013) 7.569 6.190 ( 13.186 0.000 -11.925) 17.778 6.204 ( -10.115 0.000 14.234) 17.462 6.521 ( -17.400 0.000 8.374) 19.311 6.727 ( -12.759 0.000 -7.714) 14.909 6.889 ( -4.444 0.000 -11.724) 12.538 7.050 ( 4.872 0.000 -14.535) 15.330 7.333 ( 2.010 0.000 -13.764) 13.910 7.338 ( -2.172 0.000 -10.912) 11.126 7.418 ( -0.618 0.000 -9.677) 9.697 7.456 ( -3.451 0.000 -6.289) 7.174 7.675 ( -2.099 0.000 -4.275) 4.762 7.762 ( 2.906 0.000 7.867) 8.386 7.872 ( -0.812 0.000 4.819) 4.887 7.916 ( 1.779 0.000 7.162) 7.380 8.112 ( -2.088 0.000 -7.074) 7.376 8.593 ( 9.090 0.000 1.718) 9.251 8.712 ( 2.249 0.000 -8.607) 8.896 8.943 ( -5.808 0.000 -7.599) 9.564 8.982 ( -5.785 0.000 2.071) 6.144 9.145 ( 4.259 0.000 -6.120) 7.456 9.170 ( 1.499 0.000 -4.122) 4.387 9.361 ( 7.865 0.000 -1.806) 8.070 9.468 ( 2.176 0.000 -1.160) 2.466 9.886 ( -7.069 0.000 2.627) 7.541 10.141 ( -4.985 0.000 -4.263) 6.559 10.143 ( 1.079 0.000 -4.097) 4.237 10.240 ( -1.243 0.000 -4.844) 5.001 10.393 ( 12.410 0.000 -10.358) 16.165 10.813 ( -0.687 0.000 -18.173) 18.186 11.743 ( 0.333 0.000 6.132) 6.141 11.773 ( -0.428 0.000 6.762) 6.776 12.345 ( 1.167 0.000 2.518) 2.775 12.493 ( -3.301 0.000 2.468) 4.122 12.803 ( 0.918 0.000 12.533) 12.567 12.879 ( -0.983 0.000 12.339) 12.378 13.034 ( 1.168 0.000 -0.223) 1.189 13.130 ( -1.264 0.000 -0.583) 1.392 13.218 ( 6.221 0.000 11.068) 12.696 13.560 ( 0.572 0.000 10.917) 10.932 14.015 ( 0.554 0.000 1.624) 1.716 14.434 ( -9.521 0.000 -6.252) 11.390 14.592 ( 0.927 0.000 -9.063) 9.111 14.679 ( 0.043 0.000 -9.597) 9.597 14.760 ( 0.814 0.000 6.390) 6.442 14.822 ( -0.768 0.000 4.995) 5.054 15.500 ( 2.232 0.000 -3.713) 4.332 15.711 ( -3.319 0.000 -14.158) 14.542 16.264 ( 0.973 0.000 -4.215) 4.325 16.338 ( -0.883 0.000 -6.036) 6.101 16.651 ( 2.376 0.000 -7.419) 7.790 16.748 ( 2.974 0.000 -8.104) 8.632 17.102 ( 2.713 0.000 7.351) 7.836 17.720 ( -12.164 0.000 -1.755) 12.290 24.093 ( 2.195 0.000 2.413) 3.262 24.100 ( 2.240 0.000 1.526) 2.711 24.143 ( -0.060 0.000 3.564) 3.565 24.314 ( -2.554 0.000 2.701) 3.717 25.082 ( 0.959 0.000 4.726) 4.822 25.167 ( 0.579 0.000 5.262) 5.294 25.629 ( 12.732 0.000 -5.253) 13.773 25.670 ( 1.281 0.000 1.113) 1.697 25.821 ( -3.635 0.000 -1.174) 3.820 26.001 ( 3.821 0.000 0.716) 3.887 26.168 ( -1.487 0.000 -1.843) 2.369 26.521 ( -9.403 0.000 -22.832) 24.693 28.510 ( 0.714 0.000 11.448) 11.471 28.609 ( -2.026 0.000 10.378) 10.574 29.461 ( 9.368 0.000 18.369) 20.620 30.280 ( -12.348 0.000 -2.132) 12.531 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.995 ( 11.706 0.000 30.544) 32.710 3.021 ( 13.162 0.000 35.200) 37.581 3.219 ( -12.403 0.000 18.679) 22.422 3.271 ( -13.510 0.000 29.730) 32.655 4.346 ( 4.783 0.000 -6.924) 8.415 4.482 ( -9.536 0.000 -10.308) 14.042 4.667 ( 10.814 0.000 -0.668) 10.835 4.889 ( -12.428 0.000 -5.035) 13.409 5.241 ( 2.601 0.000 -19.108) 19.284 5.308 ( -4.746 0.000 -19.559) 20.127 5.335 ( 21.651 0.000 35.725) 41.773 5.551 ( 12.533 0.000 -0.585) 12.547 5.780 ( -11.146 0.000 3.189) 11.593 5.825 ( -20.844 0.000 33.939) 39.829 6.031 ( 18.251 0.000 -8.422) 20.101 6.229 ( 8.775 0.000 2.817) 9.216 6.324 ( -8.306 0.000 -13.270) 15.655 6.357 ( -4.664 0.000 2.176) 5.147 6.562 ( 4.362 0.000 -6.120) 7.516 6.748 ( -10.593 0.000 -11.457) 15.604 7.105 ( 3.627 0.000 -16.912) 17.297 7.219 ( -8.240 0.000 -13.033) 15.420 7.366 ( 1.636 0.000 -11.189) 11.308 7.400 ( -2.434 0.000 -7.950) 8.314 7.485 ( 5.797 0.000 -15.253) 16.317 7.592 ( -5.825 0.000 -13.387) 14.600 7.813 ( 2.531 0.000 5.899) 6.419 7.850 ( -1.570 0.000 5.149) 5.383 7.991 ( 5.209 0.000 9.291) 10.651 8.070 ( -3.169 0.000 3.517) 4.734 8.750 ( 7.940 0.000 0.004) 7.940 8.767 ( 3.765 0.000 -8.470) 9.269 8.845 ( -4.897 0.000 -8.125) 9.486 8.879 ( -6.225 0.000 -0.236) 6.229 9.195 ( 1.323 0.000 -4.971) 5.144 9.198 ( 1.112 0.000 -4.198) 4.343 9.461 ( 3.048 0.000 1.101) 3.240 9.488 ( -0.267 0.000 -0.245) 0.363 9.869 ( 4.972 0.000 1.267) 5.131 10.006 ( -8.662 0.000 -1.988) 8.887 10.171 ( 1.965 0.000 -4.562) 4.967 10.209 ( -2.052 0.000 -4.830) 5.248 10.616 ( 11.014 0.000 -15.618) 19.111 10.765 ( -5.229 0.000 -18.937) 19.645 11.752 ( 0.588 0.000 6.319) 6.347 11.763 ( -0.646 0.000 6.559) 6.591 12.374 ( 2.153 0.000 2.544) 3.333 12.426 ( -3.563 0.000 2.469) 4.335 12.826 ( 1.525 0.000 12.482) 12.575 12.855 ( -1.566 0.000 12.407) 12.505 13.062 ( 1.934 0.000 -0.330) 1.962 13.099 ( -1.994 0.000 -0.466) 2.047 13.368 ( 9.489 0.000 11.213) 14.690 13.519 ( -5.903 0.000 11.744) 13.144 14.073 ( 6.479 0.000 0.886) 6.539 14.238 ( -10.965 0.000 -0.785) 10.993 14.622 ( 2.082 0.000 -10.878) 11.076 14.660 ( -1.893 0.000 -11.744) 11.896 14.779 ( 1.289 0.000 5.974) 6.112 14.803 ( -1.261 0.000 5.443) 5.587 15.557 ( 3.948 0.000 -7.097) 8.121 15.636 ( -4.598 0.000 -11.011) 11.932 16.288 ( 1.526 0.000 -4.799) 5.036 16.316 ( -1.471 0.000 -5.494) 5.687 16.712 ( 3.852 0.000 -7.714) 8.622 16.767 ( -1.447 0.000 -8.492) 8.615 17.218 ( 10.465 0.000 7.100) 12.646 17.459 ( -15.189 0.000 3.627) 15.616 24.123 ( 1.193 0.000 1.957) 2.292 24.137 ( -0.408 0.000 3.282) 3.307 24.168 ( 4.442 0.000 2.205) 4.959 24.250 ( -4.315 0.000 2.659) 5.069 25.113 ( 2.231 0.000 5.306) 5.755 25.153 ( -1.877 0.000 5.784) 6.081 25.704 ( 2.441 0.000 0.725) 2.546 25.756 ( -3.336 0.000 0.046) 3.336 25.937 ( 19.558 0.000 -14.108) 24.115 26.070 ( 3.647 0.000 -0.586) 3.694 26.129 ( -2.764 0.000 -1.369) 3.085 26.278 ( -16.957 0.000 -20.037) 26.249 28.531 ( 1.622 0.000 11.596) 11.709 28.567 ( -2.320 0.000 11.333) 11.568 29.692 ( 15.594 0.000 13.156) 20.402 29.999 ( -17.434 0.000 5.882) 18.399 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.788 ( 0.000 5.114 39.201) 39.533 2.930 ( 0.000 16.134 38.141) 41.413 3.524 ( 0.000 4.089 0.733) 4.155 3.758 ( 0.000 19.874 19.174) 27.616 4.325 ( 0.000 -0.876 6.657) 6.714 4.521 ( 0.000 4.415 14.162) 14.834 4.753 ( 0.000 3.037 10.484) 10.915 5.010 ( 0.000 -4.443 -4.171) 6.094 5.115 ( 0.000 -2.657 9.266) 9.640 5.160 ( 0.000 4.552 -12.644) 13.439 5.395 ( 0.000 11.162 -16.664) 20.057 5.435 ( 0.000 2.098 -18.011) 18.132 5.598 ( 0.000 -6.036 -2.682) 6.605 5.811 ( 0.000 -7.702 1.719) 7.891 5.862 ( 0.000 8.160 11.729) 14.289 6.151 ( 0.000 5.207 -7.251) 8.927 6.321 ( 0.000 3.049 7.518) 8.113 6.841 ( 0.000 -2.229 -14.531) 14.701 6.894 ( 0.000 -0.690 -5.908) 5.948 6.895 ( 0.000 5.248 -1.121) 5.366 6.954 ( 0.000 5.291 -7.068) 8.829 7.207 ( 0.000 -4.101 -9.809) 10.632 7.322 ( 0.000 -12.389 -8.762) 15.174 7.453 ( 0.000 5.599 -5.405) 7.782 7.486 ( 0.000 -0.055 -6.160) 6.160 7.699 ( 0.000 2.038 1.249) 2.390 7.772 ( 0.000 3.918 4.709) 6.126 7.859 ( 0.000 0.143 0.282) 0.316 7.934 ( 0.000 2.169 -0.675) 2.272 8.274 ( 0.000 9.042 -11.294) 14.467 8.382 ( 0.000 -7.188 -0.923) 7.247 8.736 ( 0.000 2.047 -4.224) 4.693 8.948 ( 0.000 -7.233 -2.889) 7.788 8.956 ( 0.000 -6.429 -5.723) 8.607 9.116 ( 0.000 2.154 -0.898) 2.333 9.225 ( 0.000 6.304 -4.235) 7.595 9.381 ( 0.000 10.288 -1.052) 10.342 9.432 ( 0.000 -0.805 -3.405) 3.498 9.916 ( 0.000 -14.185 -3.443) 14.597 9.922 ( 0.000 -8.714 4.495) 9.805 10.149 ( 0.000 -1.212 -5.258) 5.395 10.222 ( 0.000 -4.300 -9.186) 10.143 10.333 ( 0.000 2.173 -6.630) 6.977 10.825 ( 0.000 -0.166 -14.176) 14.177 11.782 ( 0.000 0.602 6.348) 6.376 11.807 ( 0.000 6.260 3.477) 7.161 12.250 ( 0.000 -6.582 4.545) 7.999 12.462 ( 0.000 -6.304 2.076) 6.637 12.802 ( 0.000 1.043 12.333) 12.377 12.927 ( 0.000 0.161 9.879) 9.880 13.023 ( 0.000 2.218 2.692) 3.488 13.125 ( 0.000 0.400 1.333) 1.392 13.242 ( 0.000 5.861 9.719) 11.350 13.546 ( 0.000 0.189 8.299) 8.301 14.037 ( 0.000 1.787 3.210) 3.674 14.530 ( 0.000 -2.126 -3.546) 4.134 14.577 ( 0.000 0.900 -11.672) 11.707 14.669 ( 0.000 0.197 -4.110) 4.115 14.784 ( 0.000 2.575 2.094) 3.318 14.811 ( 0.000 -1.419 4.836) 5.040 15.494 ( 0.000 1.574 -3.141) 3.514 15.722 ( 0.000 -1.848 -14.686) 14.802 16.182 ( 0.000 -6.465 -5.342) 8.387 16.312 ( 0.000 -3.406 -7.799) 8.510 16.677 ( 0.000 3.614 -6.518) 7.453 16.734 ( 0.000 2.165 -6.267) 6.631 17.057 ( 0.000 -2.525 4.932) 5.541 17.682 ( 0.000 -14.218 -2.412) 14.421 24.071 ( 0.000 0.191 2.591) 2.598 24.083 ( 0.000 0.297 1.128) 1.167 24.154 ( 0.000 1.206 3.471) 3.674 24.334 ( 0.000 -0.351 2.590) 2.614 25.061 ( 0.000 -1.448 4.142) 4.388 25.108 ( 0.000 -3.559 4.010) 5.361 25.452 ( 0.000 -5.299 2.103) 5.701 25.734 ( 0.000 -2.148 0.487) 2.203 25.953 ( 0.000 9.352 -0.725) 9.380 25.993 ( 0.000 11.672 -4.454) 12.493 26.286 ( 0.000 9.350 -3.618) 10.026 26.698 ( 0.000 7.509 -21.835) 23.090 28.535 ( 0.000 3.274 11.467) 11.926 28.631 ( 0.000 0.217 10.223) 10.225 29.326 ( 0.000 -4.711 20.200) 20.743 30.257 ( 0.000 -13.630 -2.616) 13.879 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.859 ( 7.582 5.143 36.794) 37.917 2.999 ( 7.485 15.792 36.596) 40.554 3.449 ( -7.869 4.301 5.377) 10.456 3.667 ( -9.681 17.552 22.470) 30.112 4.296 ( -1.565 -1.661 1.486) 2.723 4.533 ( 0.562 2.568 8.754) 9.140 4.687 ( -6.028 1.828 -3.533) 7.222 5.056 ( -0.112 -1.639 -1.398) 2.157 5.131 ( 7.588 5.419 16.347) 18.819 5.258 ( 3.807 -0.142 -6.302) 7.363 5.345 ( 3.258 6.416 -8.065) 10.808 5.440 ( -2.943 3.035 -16.247) 16.788 5.670 ( 9.385 -3.409 -8.649) 13.211 5.885 ( 4.930 4.166 5.854) 8.714 5.953 ( 10.904 -4.793 4.152) 12.614 6.197 ( -0.272 1.507 -4.607) 4.855 6.287 ( -3.254 5.518 10.085) 11.948 6.604 ( -16.069 7.821 2.919) 18.108 6.689 ( -12.716 -3.859 -10.300) 16.813 6.871 ( -5.200 -0.998 -7.560) 9.229 7.066 ( 3.546 1.196 -14.204) 14.688 7.228 ( -0.865 -7.401 -13.431) 15.359 7.392 ( 7.101 -1.230 -7.662) 10.519 7.412 ( -2.196 2.036 -10.570) 10.986 7.474 ( -2.667 2.985 -2.650) 4.800 7.721 ( 1.294 3.590 -4.408) 5.831 7.805 ( 2.428 4.107 3.862) 6.138 7.859 ( 0.859 0.859 1.836) 2.201 7.923 ( -0.185 0.726 2.538) 2.646 8.191 ( -5.483 5.204 -4.597) 8.847 8.496 ( 8.416 -5.874 -4.240) 11.104 8.748 ( 0.792 0.593 -4.932) 5.030 8.928 ( -1.997 -1.675 -7.831) 8.253 8.954 ( -0.031 -3.074 -0.034) 3.075 9.154 ( 2.989 0.686 -3.024) 4.306 9.226 ( 0.385 5.556 -4.959) 7.457 9.395 ( 2.299 1.940 -0.149) 3.012 9.473 ( 2.512 2.010 -2.747) 4.231 9.791 ( -5.747 -8.126 2.302) 10.215 9.963 ( -1.616 -12.316 0.263) 12.424 10.153 ( 0.154 -2.359 -5.926) 6.380 10.202 ( -2.037 -3.952 -8.699) 9.770 10.414 ( 8.419 0.106 -8.012) 11.623 10.809 ( -2.088 -1.420 -14.948) 15.160 11.789 ( 0.691 1.522 5.947) 6.178 11.810 ( 0.219 6.081 3.583) 7.061 12.268 ( 1.897 -6.169 4.124) 7.659 12.436 ( -2.708 -5.595 2.021) 6.536 12.808 ( 0.734 0.640 12.355) 12.393 12.911 ( -1.677 0.494 11.031) 11.168 13.029 ( 0.783 1.144 1.710) 2.201 13.117 ( -1.111 -0.084 0.711) 1.321 13.299 ( 6.185 6.640 10.233) 13.677 13.568 ( 1.684 0.870 9.284) 9.476 14.031 ( -0.082 1.373 2.484) 2.840 14.426 ( -10.625 -0.957 -4.165) 11.452 14.568 ( 1.443 -1.949 -5.291) 5.821 14.697 ( 0.100 2.759 -9.469) 9.863 14.787 ( 0.609 -0.708 3.678) 3.794 14.810 ( -0.020 1.067 3.600) 3.755 15.512 ( 1.958 1.334 -4.337) 4.942 15.695 ( -2.801 -1.377 -13.584) 13.938 16.197 ( 1.583 -6.036 -5.475) 8.302 16.301 ( -1.181 -3.639 -7.485) 8.406 16.685 ( 1.576 2.842 -6.412) 7.189 16.773 ( 2.760 2.151 -7.428) 8.211 17.070 ( 2.229 -2.927 5.866) 6.924 17.586 ( -9.773 -12.109 -0.346) 15.564 24.096 ( 2.472 0.267 2.608) 3.604 24.104 ( 2.091 0.292 1.223) 2.440 24.153 ( -0.133 1.134 3.213) 3.410 24.311 ( -2.474 -0.271 2.640) 3.628 25.065 ( 0.853 -1.560 4.457) 4.799 25.128 ( 1.105 -3.300 4.791) 5.921 25.495 ( 4.645 -7.735 0.302) 9.028 25.729 ( -1.055 -5.316 0.459) 5.440 25.956 ( 2.153 14.706 -4.022) 15.397 26.031 ( 2.807 8.292 -3.395) 9.390 26.284 ( 0.051 10.230 -4.064) 11.008 26.631 ( -7.134 8.864 -20.745) 23.661 28.538 ( 0.365 2.924 11.624) 11.992 28.613 ( -1.676 0.586 10.895) 11.039 29.407 ( 8.652 -5.363 18.196) 20.850 30.152 ( -10.977 -12.379 0.530) 16.553 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.041 ( 11.848 5.202 28.799) 31.573 3.188 ( 12.856 15.102 32.988) 38.491 3.263 ( -11.995 4.940 16.671) 21.124 3.441 ( -14.273 15.308 28.263) 35.169 4.316 ( 4.299 -2.959 -6.002) 7.954 4.443 ( -8.719 -3.480 -8.742) 12.828 4.709 ( 8.315 4.979 5.479) 11.133 4.907 ( -11.987 1.812 0.228) 12.126 5.284 ( 2.992 1.906 -12.833) 13.314 5.348 ( -3.590 3.126 -14.193) 14.970 5.427 ( 18.783 5.294 12.598) 23.228 5.548 ( 9.927 1.619 -0.001) 10.058 5.781 ( -1.106 1.854 2.447) 3.263 5.931 ( -14.955 6.578 18.346) 24.566 6.056 ( 8.548 4.274 7.333) 12.046 6.164 ( 7.836 -3.679 4.976) 9.985 6.248 ( -0.034 -4.921 -5.397) 7.304 6.356 ( -15.669 1.420 -11.885) 19.718 6.591 ( 3.915 1.162 -4.915) 6.390 6.728 ( -9.472 -0.659 -7.085) 11.847 7.111 ( 2.521 -0.387 -14.536) 14.758 7.174 ( -4.129 -4.629 -13.923) 15.242 7.389 ( -0.049 0.576 -11.627) 11.642 7.409 ( -2.102 1.186 -7.805) 8.170 7.548 ( 7.719 6.667 -8.130) 13.044 7.674 ( -5.848 7.115 -7.613) 11.949 7.847 ( 2.351 3.038 0.868) 3.938 7.875 ( -0.532 2.852 -0.878) 3.031 7.979 ( 6.037 -1.004 7.322) 9.543 8.091 ( -5.855 1.785 2.210) 6.508 8.643 ( 7.438 -6.208 -4.690) 10.764 8.740 ( -2.575 -4.031 -5.455) 7.255 8.900 ( -0.134 3.663 -6.980) 7.884 8.932 ( -2.580 3.685 -3.100) 5.463 9.206 ( 2.750 0.091 -4.579) 5.343 9.235 ( -0.151 3.234 -4.472) 5.520 9.446 ( 2.557 -1.351 1.530) 3.272 9.481 ( -1.311 0.027 -0.445) 1.385 9.774 ( 3.889 -8.057 2.380) 9.258 9.881 ( -6.451 -10.372 0.908) 12.248 10.156 ( 0.326 -2.796 -6.490) 7.074 10.169 ( -1.253 -3.704 -7.451) 8.414 10.589 ( 9.707 -3.168 -12.343) 16.019 10.736 ( -6.182 -3.409 -15.064) 16.636 11.804 ( 0.747 3.544 4.970) 6.150 11.812 ( -0.116 5.273 4.033) 6.640 12.314 ( 3.033 -5.182 3.222) 6.814 12.375 ( -3.658 -4.762 2.353) 6.450 12.832 ( 1.891 0.198 12.366) 12.511 12.872 ( -2.413 0.405 12.092) 12.337 13.053 ( 1.747 -0.009 0.827) 1.932 13.088 ( -1.942 -0.342 0.575) 2.054 13.442 ( 8.512 6.600 10.365) 14.948 13.561 ( -3.567 3.884 10.532) 11.778 14.068 ( 5.078 -0.575 1.105) 5.229 14.220 ( -10.999 -1.773 -0.565) 11.155 14.609 ( 2.900 -0.964 -6.060) 6.787 14.664 ( -2.934 0.922 -7.890) 8.468 14.802 ( 0.722 0.198 2.318) 2.436 14.809 ( -0.140 1.965 2.188) 2.944 15.562 ( 3.459 0.679 -7.338) 8.141 15.631 ( -3.946 -0.319 -10.824) 11.526 16.233 ( 2.181 -5.156 -5.943) 8.165 16.272 ( -2.002 -4.280 -6.728) 8.221 16.734 ( 3.423 1.963 -6.726) 7.799 16.786 ( -1.612 1.726 -7.602) 7.960 17.170 ( 8.982 -4.486 5.658) 11.525 17.373 ( -12.601 -7.880 3.167) 15.196 24.130 ( 1.356 0.710 1.854) 2.405 24.147 ( -0.539 0.999 2.764) 2.988 24.168 ( 4.431 0.036 2.425) 5.052 24.249 ( -4.220 -0.099 2.685) 5.003 25.093 ( 1.951 -1.817 5.115) 5.768 25.125 ( -1.313 -2.400 5.539) 6.178 25.596 ( 5.664 -9.794 -0.585) 11.328 25.684 ( -3.845 -8.290 0.200) 9.141 26.036 ( 4.881 11.425 -7.195) 14.357 26.070 ( 0.943 7.011 -4.495) 8.382 26.313 ( 4.396 13.493 -7.871) 16.228 26.461 ( -10.548 12.615 -16.515) 23.306 28.551 ( 1.160 2.162 11.858) 12.109 28.579 ( -1.869 1.344 11.704) 11.928 29.620 ( 14.313 -7.120 13.490) 20.917 29.899 ( -15.772 -9.686 7.171) 19.850 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.981 ( 0.000 14.557 34.273) 37.237 3.292 ( 0.000 18.682 31.443) 36.574 3.666 ( 0.000 10.604 0.940) 10.645 4.205 ( 0.000 22.058 12.929) 25.568 4.301 ( 0.000 -2.113 4.143) 4.650 4.647 ( 0.000 -6.662 3.246) 7.410 4.683 ( 0.000 2.244 12.067) 12.273 4.898 ( 0.000 -6.166 7.284) 9.543 5.164 ( 0.000 9.187 3.722) 9.912 5.180 ( 0.000 -1.899 -15.016) 15.135 5.465 ( 0.000 -6.103 2.721) 6.682 5.517 ( 0.000 4.132 1.646) 4.448 5.680 ( 0.000 15.161 -13.983) 20.625 5.727 ( 0.000 0.167 -4.539) 4.542 6.053 ( 0.000 10.724 17.390) 20.431 6.227 ( 0.000 3.363 -8.607) 9.241 6.374 ( 0.000 0.855 5.784) 5.847 6.812 ( 0.000 0.821 -13.987) 14.011 6.881 ( 0.000 0.729 -1.409) 1.586 7.015 ( 0.000 -16.042 -14.741) 21.786 7.046 ( 0.000 7.196 -1.498) 7.350 7.047 ( 0.000 2.204 -11.738) 11.943 7.216 ( 0.000 5.979 -9.764) 11.449 7.482 ( 0.000 -0.951 -0.618) 1.135 7.537 ( 0.000 2.231 7.292) 7.625 7.745 ( 0.000 2.413 -4.563) 5.162 7.879 ( 0.000 8.281 -8.636) 11.965 7.898 ( 0.000 3.650 -1.668) 4.013 7.983 ( 0.000 0.631 -4.028) 4.077 8.317 ( 0.000 3.303 -3.337) 4.696 8.371 ( 0.000 -1.501 -8.461) 8.593 8.714 ( 0.000 -4.948 -0.950) 5.038 8.792 ( 0.000 -10.288 -4.877) 11.386 8.820 ( 0.000 -4.743 -6.975) 8.435 9.205 ( 0.000 7.497 -0.785) 7.538 9.354 ( 0.000 2.525 -6.207) 6.702 9.372 ( 0.000 -4.134 -5.871) 7.181 9.597 ( 0.000 10.953 0.216) 10.955 9.671 ( 0.000 -7.254 2.178) 7.573 9.769 ( 0.000 -5.598 3.673) 6.695 10.071 ( 0.000 -6.095 -6.897) 9.204 10.114 ( 0.000 -5.935 -7.798) 9.800 10.298 ( 0.000 -5.701 -6.556) 8.688 10.740 ( 0.000 -9.819 -8.932) 13.274 11.807 ( 0.000 2.093 4.882) 5.312 11.952 ( 0.000 7.361 -1.372) 7.488 12.138 ( 0.000 -4.131 4.437) 6.063 12.307 ( 0.000 -8.378 0.439) 8.390 12.837 ( 0.000 2.197 12.125) 12.322 12.873 ( 0.000 -3.607 8.124) 8.889 13.089 ( 0.000 2.466 8.881) 9.217 13.140 ( 0.000 0.599 3.484) 3.535 13.381 ( 0.000 7.895 9.653) 12.470 13.564 ( 0.000 1.746 5.684) 5.946 14.073 ( 0.000 1.706 5.404) 5.666 14.442 ( 0.000 -6.072 6.406) 8.827 14.633 ( 0.000 3.765 -10.344) 11.008 14.661 ( 0.000 -1.038 -1.635) 1.937 14.805 ( 0.000 1.379 1.250) 1.861 14.839 ( 0.000 2.788 -4.265) 5.096 15.544 ( 0.000 3.666 -5.700) 6.777 15.689 ( 0.000 -1.046 -13.210) 13.251 16.035 ( 0.000 -7.882 -7.453) 10.848 16.210 ( 0.000 -7.012 -10.362) 12.511 16.744 ( 0.000 2.920 -5.408) 6.145 16.779 ( 0.000 2.118 -4.742) 5.193 17.001 ( 0.000 -2.572 1.430) 2.943 17.375 ( 0.000 -14.994 -0.127) 14.994 24.076 ( 0.000 0.376 2.393) 2.422 24.090 ( 0.000 0.351 1.178) 1.229 24.191 ( 0.000 2.505 2.429) 3.490 24.325 ( 0.000 -0.550 2.194) 2.262 25.028 ( 0.000 -1.595 3.611) 3.948 25.042 ( 0.000 -2.541 3.652) 4.449 25.337 ( 0.000 -5.915 4.963) 7.721 25.560 ( 0.000 -11.058 3.553) 11.615 26.278 ( 0.000 16.064 -6.930) 17.495 26.284 ( 0.000 18.231 -7.988) 19.904 26.494 ( 0.000 10.609 -6.211) 12.293 26.841 ( 0.000 6.033 -19.752) 20.652 28.638 ( 0.000 7.393 11.732) 13.867 28.647 ( 0.000 1.760 11.883) 12.012 29.197 ( 0.000 -8.067 19.209) 20.835 29.912 ( 0.000 -20.184 3.809) 20.540 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.043 ( 6.676 13.503 31.670) 35.070 3.350 ( 6.201 17.703 30.013) 35.392 3.600 ( -6.708 11.593 4.198) 14.036 4.045 ( -13.726 17.266 16.268) 27.407 4.251 ( -3.765 -3.328 1.693) 5.303 4.556 ( -11.164 -3.202 3.142) 12.032 4.762 ( 8.006 5.957 5.318) 11.308 4.951 ( 3.458 -6.448 9.450) 11.952 5.198 ( 1.555 -2.696 -7.963) 8.549 5.294 ( 11.892 8.313 3.626) 14.956 5.382 ( -5.154 -4.063 3.923) 7.645 5.514 ( 0.882 3.254 -6.587) 7.400 5.759 ( 7.083 9.243 -9.582) 15.080 5.810 ( 7.428 0.414 -6.263) 9.725 6.130 ( 7.199 14.145 16.523) 22.911 6.202 ( -2.652 -0.113 -9.248) 9.621 6.408 ( 2.343 4.006 8.285) 9.496 6.635 ( -14.438 1.314 -13.976) 20.137 6.755 ( -13.078 2.910 -3.648) 13.886 6.894 ( -7.506 6.477 -1.018) 9.966 7.022 ( 1.390 -11.102 -11.907) 16.339 7.090 ( 1.529 0.549 -9.672) 9.807 7.388 ( 3.999 -1.082 -9.154) 10.048 7.454 ( 0.874 4.351 -2.255) 4.978 7.548 ( 2.975 2.691 3.465) 5.301 7.798 ( 4.544 3.353 -5.769) 8.073 7.873 ( 0.199 4.092 -3.657) 5.492 7.924 ( 1.703 4.110 -5.000) 6.693 7.973 ( -0.713 4.220 -2.794) 5.111 8.242 ( -5.189 0.744 -2.357) 5.748 8.439 ( 4.712 0.121 -6.617) 8.124 8.698 ( -1.567 -5.623 -5.260) 7.858 8.841 ( 5.816 -8.083 -4.919) 11.107 8.873 ( 4.339 -4.540 -6.548) 9.073 9.197 ( -1.997 2.528 -2.975) 4.385 9.314 ( -3.330 -2.493 -7.782) 8.824 9.390 ( 2.418 3.470 -0.694) 4.285 9.587 ( -1.892 7.661 0.565) 7.911 9.641 ( -2.097 -4.612 2.100) 5.484 9.755 ( -1.925 -6.622 3.383) 7.681 10.061 ( -0.639 -6.060 -7.554) 9.705 10.104 ( -1.005 -5.505 -7.652) 9.480 10.353 ( 5.554 -6.437 -6.614) 10.771 10.705 ( -3.750 -10.051 -9.187) 14.124 11.827 ( 2.101 2.309 4.330) 5.338 11.944 ( -0.864 6.568 -0.613) 6.653 12.159 ( 2.123 -4.357 3.666) 6.078 12.295 ( -1.321 -7.805 0.507) 7.932 12.832 ( -0.255 1.451 11.632) 11.725 12.873 ( -0.192 -2.328 9.363) 9.650 13.076 ( -1.042 1.974 7.425) 7.753 13.123 ( -1.682 0.221 3.566) 3.949 13.451 ( 7.097 8.224 9.680) 14.550 13.599 ( 3.314 2.254 6.458) 7.601 14.056 ( -1.540 0.892 4.710) 5.035 14.374 ( -8.847 -4.828 4.556) 11.060 14.567 ( -0.316 2.444 -5.614) 6.131 14.739 ( 1.404 -2.232 3.076) 4.052 14.774 ( -0.613 4.237 -7.843) 8.935 14.850 ( 0.372 1.806 -1.883) 2.635 15.557 ( 1.345 3.354 -6.515) 7.450 15.673 ( -1.626 -0.401 -12.529) 12.641 16.056 ( 2.148 -7.783 -7.616) 11.099 16.196 ( -1.575 -7.077 -9.976) 12.332 16.743 ( 0.828 2.803 -4.972) 5.768 16.816 ( 2.428 1.964 -5.990) 6.755 17.004 ( 0.875 -3.341 2.326) 4.164 17.321 ( -5.589 -13.144 0.415) 14.289 24.102 ( 2.741 0.392 2.483) 3.719 24.111 ( 2.032 0.420 1.210) 2.402 24.188 ( -0.405 2.315 2.353) 3.326 24.304 ( -2.242 -0.403 2.316) 3.248 25.030 ( 0.763 -1.659 3.976) 4.376 25.067 ( 1.659 -2.396 4.162) 5.081 25.348 ( 1.435 -7.079 3.778) 8.151 25.539 ( -2.273 -11.108 3.122) 11.760 26.289 ( 1.161 15.655 -6.840) 17.124 26.300 ( 1.508 17.454 -8.311) 19.390 26.506 ( 1.636 11.026 -7.253) 13.299 26.798 ( -4.618 7.034 -18.842) 20.636 28.626 ( -0.772 5.035 12.177) 13.200 28.646 ( -0.453 4.235 12.101) 12.828 29.261 ( 6.841 -9.103 17.658) 21.011 29.835 ( -8.083 -18.702 5.623) 21.136 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.208 ( 10.920 11.638 23.636) 28.519 3.403 ( -8.536 9.919 14.071) 19.216 3.548 ( 9.430 19.207 26.679) 34.200 3.782 ( -14.554 17.205 23.643) 32.662 4.230 ( 2.564 -5.892 -3.218) 7.187 4.350 ( -10.146 -5.969 -3.788) 12.366 4.874 ( 5.094 9.811 9.643) 14.670 4.958 ( -3.232 1.839 9.318) 10.033 5.224 ( 2.579 -5.709 -3.298) 7.080 5.293 ( -4.152 -7.932 -4.035) 9.820 5.540 ( 11.565 5.243 -1.169) 12.751 5.605 ( 6.133 0.741 -2.703) 6.743 5.859 ( 2.407 6.301 -9.395) 11.566 5.903 ( 0.287 -3.830 -2.900) 4.813 6.192 ( 4.555 3.950 -10.626) 12.217 6.249 ( 2.846 13.125 8.698) 16.000 6.356 ( -5.548 14.110 10.988) 18.724 6.425 ( -9.857 7.277 -1.300) 12.321 6.610 ( 1.617 0.365 -6.880) 7.077 6.740 ( -9.409 2.501 -3.697) 10.414 7.050 ( 1.746 -6.509 -9.069) 11.299 7.084 ( -1.726 -1.760 -6.651) 7.093 7.394 ( 0.946 -0.520 -8.101) 8.172 7.432 ( -2.720 1.211 -4.027) 5.008 7.685 ( 8.182 5.419 -2.916) 10.238 7.802 ( -4.322 5.009 -6.230) 9.087 7.923 ( 2.753 1.260 -0.371) 3.050 7.935 ( 0.119 3.168 -3.183) 4.493 8.005 ( 5.417 6.757 -4.502) 9.760 8.133 ( -7.051 2.565 -2.309) 7.851 8.543 ( 6.526 -3.326 -4.999) 8.868 8.647 ( -4.380 -4.702 -5.517) 8.470 8.929 ( 3.574 -2.715 -11.391) 12.243 8.965 ( 2.320 -1.941 -7.040) 7.663 9.154 ( 1.368 -6.768 -4.780) 8.398 9.249 ( -5.315 -3.167 -2.540) 6.688 9.453 ( 4.226 4.143 0.246) 5.923 9.529 ( -3.938 5.202 0.781) 6.571 9.634 ( 1.817 -4.233 2.609) 5.294 9.696 ( -4.163 -5.944 3.313) 7.978 10.062 ( 0.786 -5.369 -7.962) 9.636 10.083 ( -1.277 -5.046 -7.548) 9.169 10.477 ( 7.535 -8.418 -7.869) 13.768 10.609 ( -6.673 -9.890 -9.080) 14.993 11.874 ( 2.764 3.150 2.903) 5.098 11.918 ( -2.002 4.767 1.082) 5.282 12.207 ( 3.029 -5.096 2.149) 6.306 12.260 ( -2.551 -6.432 0.986) 6.989 12.838 ( 0.914 0.700 11.455) 11.513 12.860 ( -1.220 -0.358 11.035) 11.108 13.067 ( 0.365 0.506 4.838) 4.878 13.089 ( -1.822 -0.116 3.790) 4.207 13.594 ( 7.082 8.242 9.505) 14.437 13.651 ( 1.060 4.814 8.393) 9.733 14.049 ( 2.308 -1.381 3.008) 4.035 14.176 ( -10.844 -2.740 2.455) 11.452 14.608 ( 3.753 1.274 -2.030) 4.453 14.684 ( -4.340 0.831 -0.053) 4.419 14.815 ( 2.316 1.424 -4.447) 5.212 14.845 ( -0.972 1.338 -2.238) 2.783 15.591 ( 2.313 2.445 -8.517) 9.158 15.635 ( -2.438 1.043 -10.785) 11.106 16.104 ( 2.939 -7.526 -8.143) 11.472 16.156 ( -2.673 -7.259 -9.055) 11.909 16.778 ( 2.733 2.341 -5.122) 6.260 16.824 ( -1.702 2.005 -5.993) 6.545 17.064 ( 5.922 -5.659 2.427) 8.543 17.194 ( -7.786 -9.197 1.393) 12.130 24.148 ( 1.925 1.011 1.651) 2.730 24.169 ( 3.244 0.362 1.723) 3.690 24.176 ( -0.024 1.588 2.788) 3.208 24.247 ( -3.933 -0.074 2.539) 4.682 25.054 ( 1.683 -1.636 4.702) 5.255 25.078 ( -0.560 -1.872 5.050) 5.415 25.399 ( 4.106 -9.578 1.999) 10.611 25.479 ( -4.235 -10.897 2.176) 11.892 26.312 ( 1.121 14.988 -6.815) 16.502 26.321 ( 0.380 15.579 -7.796) 17.425 26.568 ( 5.414 11.383 -11.295) 16.925 26.687 ( -7.076 9.489 -15.994) 19.898 28.620 ( 0.234 4.675 12.599) 13.440 28.632 ( -0.928 4.716 12.538) 13.427 29.429 ( 11.231 -11.750 14.112) 21.526 29.645 ( -12.032 -15.304 9.744) 21.770 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.338 ( 0.000 20.715 27.207) 34.196 3.620 ( 0.000 14.082 20.205) 24.628 3.936 ( 0.000 15.418 5.183) 16.265 4.202 ( 0.000 -8.183 6.292) 10.323 4.337 ( 0.000 -17.390 11.269) 20.722 4.476 ( 0.000 2.139 -1.638) 2.695 4.770 ( 0.000 2.267 4.504) 5.043 4.813 ( 0.000 -1.681 16.634) 16.719 5.150 ( 0.000 -0.364 -6.959) 6.969 5.314 ( 0.000 -5.304 3.972) 6.626 5.452 ( 0.000 13.082 -2.085) 13.248 5.615 ( 0.000 9.416 20.836) 22.865 5.765 ( 0.000 0.680 -15.304) 15.319 5.961 ( 0.000 11.789 -16.597) 20.357 6.181 ( 0.000 -2.556 11.301) 11.587 6.293 ( 0.000 2.542 -10.940) 11.231 6.398 ( 0.000 6.088 5.654) 8.309 6.687 ( 0.000 -14.893 -14.719) 20.940 6.909 ( 0.000 8.682 -12.175) 14.954 6.934 ( 0.000 3.596 13.042) 13.528 7.092 ( 0.000 4.815 -8.439) 9.716 7.172 ( 0.000 3.603 0.263) 3.613 7.364 ( 0.000 5.064 -14.067) 14.951 7.421 ( 0.000 -5.528 4.793) 7.317 7.540 ( 0.000 1.074 2.551) 2.768 7.789 ( 0.000 1.719 -10.806) 10.942 7.948 ( 0.000 -2.575 -8.050) 8.452 7.989 ( 0.000 3.120 -2.972) 4.309 8.125 ( 0.000 14.612 -11.228) 18.428 8.226 ( 0.000 -9.123 -5.412) 10.608 8.453 ( 0.000 6.132 -0.330) 6.141 8.562 ( 0.000 -9.171 -1.687) 9.325 8.579 ( 0.000 -9.940 -4.956) 11.107 8.841 ( 0.000 10.356 -8.995) 13.717 9.026 ( 0.000 -19.378 -8.438) 21.136 9.423 ( 0.000 2.708 -1.064) 2.909 9.505 ( 0.000 7.723 1.171) 7.811 9.618 ( 0.000 4.029 -4.631) 6.139 9.712 ( 0.000 -0.505 3.021) 3.063 9.788 ( 0.000 6.609 -0.334) 6.618 9.949 ( 0.000 -4.428 -7.053) 8.328 10.022 ( 0.000 -2.590 -4.365) 5.076 10.138 ( 0.000 -9.119 -6.184) 11.018 10.444 ( 0.000 -18.871 -5.306) 19.603 11.871 ( 0.000 4.472 2.700) 5.223 12.049 ( 0.000 0.026 2.137) 2.137 12.085 ( 0.000 -0.127 -3.916) 3.918 12.170 ( 0.000 -5.026 -1.106) 5.146 12.830 ( 0.000 -0.201 10.287) 10.289 12.870 ( 0.000 0.669 11.861) 11.880 13.114 ( 0.000 0.642 10.644) 10.664 13.141 ( 0.000 -0.461 6.858) 6.873 13.528 ( 0.000 6.331 8.533) 10.625 13.603 ( 0.000 1.700 5.456) 5.715 14.106 ( 0.000 1.998 8.985) 9.204 14.303 ( 0.000 -7.559 12.385) 14.510 14.652 ( 0.000 0.795 -1.291) 1.516 14.695 ( 0.000 1.715 -6.587) 6.807 14.851 ( 0.000 2.580 -2.719) 3.748 14.882 ( 0.000 1.330 -7.417) 7.535 15.649 ( 0.000 7.215 -9.673) 12.067 15.696 ( 0.000 1.929 -11.889) 12.045 15.886 ( 0.000 -7.055 -9.149) 11.553 16.038 ( 0.000 -10.222 -12.106) 15.845 16.788 ( 0.000 1.602 -4.254) 4.546 16.809 ( 0.000 0.781 -3.219) 3.312 16.973 ( 0.000 -0.033 -2.054) 2.054 17.135 ( 0.000 -9.187 -1.151) 9.259 24.085 ( 0.000 0.453 2.031) 2.080 24.095 ( 0.000 0.082 1.342) 1.344 24.244 ( 0.000 2.603 1.640) 3.077 24.311 ( 0.000 -0.887 1.635) 1.860 25.009 ( 0.000 -0.205 3.199) 3.206 25.018 ( 0.000 -0.044 3.326) 3.326 25.237 ( 0.000 -3.696 6.814) 7.752 25.356 ( 0.000 -9.034 5.938) 10.811 26.575 ( 0.000 12.484 -9.346) 15.595 26.575 ( 0.000 10.545 -10.044) 14.563 26.675 ( 0.000 7.877 -9.201) 12.112 26.907 ( 0.000 0.104 -17.488) 17.489 28.711 ( 0.000 4.944 13.948) 14.798 28.831 ( 0.000 12.000 11.582) 16.677 29.024 ( 0.000 -8.891 17.906) 19.992 29.505 ( 0.000 -20.407 8.626) 22.155 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 3.842 18.874 24.349) 31.046 3.647 ( 2.085 12.279 16.789) 20.904 3.909 ( -1.767 18.350 8.683) 20.377 4.146 ( -6.335 -7.405 3.951) 10.515 4.165 ( -9.659 -6.851 7.036) 13.774 4.541 ( -8.789 4.188 13.211) 16.410 4.674 ( 2.068 -11.435 7.591) 13.880 4.889 ( 3.155 -5.392 6.850) 9.271 5.150 ( 2.569 0.456 -7.570) 8.007 5.323 ( -0.165 -2.789 5.176) 5.882 5.510 ( -0.309 3.353 5.610) 6.543 5.577 ( 3.043 15.296 9.533) 18.279 5.779 ( 3.535 0.294 -11.743) 12.267 6.064 ( 6.395 14.047 -12.441) 19.824 6.185 ( -0.308 -3.388 -7.524) 8.257 6.361 ( 10.116 3.788 4.367) 11.651 6.445 ( 2.941 4.408 -0.200) 5.303 6.641 ( -5.531 -9.912 -11.119) 15.889 6.783 ( -10.215 10.304 -11.692) 18.634 6.935 ( 1.255 4.356 8.947) 10.030 7.046 ( -7.290 4.003 -5.585) 10.018 7.145 ( -0.778 6.637 -1.541) 6.858 7.318 ( -0.862 -5.991 -0.938) 6.125 7.495 ( -2.415 -4.526 5.311) 7.384 7.603 ( 10.190 6.375 -8.544) 14.747 7.830 ( 4.235 0.557 -8.733) 9.722 7.955 ( -0.198 -0.607 -6.188) 6.221 7.990 ( -0.852 2.874 -2.124) 3.674 8.117 ( 1.640 11.168 -11.361) 16.015 8.236 ( -0.745 1.445 -2.542) 3.018 8.493 ( 1.483 2.429 -2.471) 3.769 8.532 ( 3.216 -10.491 -4.950) 12.038 8.666 ( 6.088 -8.263 -5.277) 11.540 8.826 ( -1.047 2.693 -8.334) 8.821 8.975 ( -5.042 -16.387 -8.882) 19.309 9.358 ( -7.440 -1.954 -1.848) 7.912 9.527 ( 2.342 7.515 0.735) 7.906 9.616 ( 0.421 6.488 -3.350) 7.314 9.703 ( -1.182 0.897 2.211) 2.662 9.755 ( -3.346 5.798 -0.374) 6.705 9.955 ( 0.802 -3.352 -6.822) 7.643 10.016 ( -0.718 -2.465 -4.675) 5.333 10.180 ( 4.117 -10.026 -5.656) 12.226 10.420 ( -2.580 -17.783 -5.577) 18.814 11.887 ( 1.765 4.032 2.518) 5.071 12.036 ( -1.688 2.004 0.502) 2.668 12.090 ( 0.785 -2.833 -1.477) 3.290 12.162 ( -0.804 -5.161 -0.906) 5.301 12.836 ( 0.875 0.728 10.060) 10.124 12.880 ( 0.978 1.127 11.039) 11.140 13.091 ( -2.387 -0.045 9.545) 9.839 13.115 ( -2.555 -1.026 6.821) 7.356 13.598 ( 7.236 6.123 8.926) 13.020 13.650 ( 4.740 2.526 6.186) 8.192 14.070 ( -3.612 1.001 8.300) 9.107 14.249 ( -6.149 -7.183 11.242) 14.690 14.638 ( 0.133 3.957 -3.916) 5.569 14.724 ( 1.398 0.463 -1.819) 2.340 14.839 ( -0.994 1.974 -4.199) 4.746 14.873 ( -0.887 0.514 -6.069) 6.155 15.654 ( 0.601 6.814 -9.943) 12.069 15.693 ( -0.317 2.582 -11.707) 11.993 15.905 ( 1.922 -7.387 -9.426) 12.129 16.026 ( -1.307 -9.906 -11.805) 15.466 16.792 ( 0.973 2.137 -3.842) 4.503 16.842 ( 2.712 0.374 -3.900) 4.765 16.959 ( -1.243 -0.698 -1.535) 2.095 17.107 ( -2.953 -8.394 -1.105) 8.967 24.111 ( 2.716 0.423 2.095) 3.455 24.118 ( 2.302 0.197 1.426) 2.714 24.236 ( -0.918 2.335 1.674) 3.016 24.294 ( -1.900 -0.702 1.789) 2.702 25.015 ( 1.055 0.304 3.611) 3.774 25.043 ( 2.038 -0.123 3.623) 4.158 25.228 ( -0.736 -4.583 5.967) 7.560 25.336 ( -2.151 -8.995 5.388) 10.703 26.575 ( 0.477 11.398 -8.921) 14.482 26.592 ( 1.019 12.058 -10.727) 16.171 26.684 ( 1.273 6.813 -9.597) 11.838 26.880 ( -2.848 0.824 -16.780) 17.040 28.716 ( 0.651 5.864 13.973) 15.168 28.817 ( -1.513 11.583 12.034) 16.772 29.065 ( 4.525 -10.283 16.844) 20.246 29.454 ( -5.357 -19.253 9.550) 22.149 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.482 ( 8.198 15.485 17.097) 24.481 3.626 ( -5.771 11.982 10.124) 16.714 3.924 ( 3.416 17.096 18.242) 25.233 4.014 ( -6.458 0.998 10.177) 12.095 4.090 ( 3.025 -6.197 2.808) 7.445 4.278 ( -15.118 4.571 10.971) 19.231 4.769 ( 6.108 -17.436 9.140) 20.612 4.875 ( -4.561 -14.795 7.008) 16.995 5.225 ( 4.670 6.152 -0.046) 7.724 5.301 ( -3.280 9.458 5.927) 11.634 5.529 ( 5.604 -5.905 3.749) 8.963 5.621 ( -1.947 0.038 1.837) 2.677 5.909 ( 8.831 7.451 -9.089) 14.701 6.037 ( -5.332 10.067 -8.025) 13.935 6.317 ( 10.422 5.734 -15.926) 19.878 6.433 ( -1.680 -2.499 -5.601) 6.359 6.531 ( -4.138 0.686 -6.599) 7.819 6.583 ( -5.964 8.100 -7.649) 12.637 6.626 ( 10.283 8.360 0.754) 13.273 6.864 ( -11.968 5.387 -1.764) 13.242 7.006 ( 5.136 4.609 5.689) 8.943 7.098 ( -4.412 5.101 3.507) 7.601 7.344 ( 3.449 -5.153 -1.114) 6.300 7.423 ( -4.737 -3.534 1.317) 6.055 7.765 ( 7.445 4.303 -6.699) 10.900 7.887 ( -6.130 4.274 -5.485) 9.269 7.925 ( 5.256 -0.453 -4.346) 6.835 7.982 ( -0.900 0.742 -2.129) 2.427 8.169 ( 2.553 8.532 -8.660) 12.423 8.206 ( -1.960 5.670 -3.940) 7.178 8.518 ( 3.379 -1.946 -2.139) 4.447 8.588 ( -1.751 -0.729 -4.112) 4.528 8.761 ( 4.607 -11.299 -13.304) 18.052 8.859 ( -4.106 -6.296 -10.550) 12.954 8.920 ( 10.008 -13.136 -3.848) 16.957 9.164 ( -13.396 -7.359 -2.946) 15.566 9.584 ( 3.833 7.069 -0.117) 8.042 9.637 ( 0.956 6.427 -1.128) 6.595 9.665 ( -2.575 4.787 0.259) 5.442 9.690 ( -3.076 4.718 0.055) 5.633 9.976 ( 1.324 -2.545 -6.062) 6.707 9.998 ( -1.148 -2.403 -5.296) 5.928 10.267 ( 5.105 -12.164 -5.484) 14.286 10.355 ( -4.438 -15.091 -5.732) 16.742 11.932 ( 3.049 3.249 1.795) 4.804 11.990 ( -3.109 2.844 0.611) 4.258 12.112 ( 1.560 -4.853 -0.101) 5.099 12.141 ( -1.496 -5.346 -0.362) 5.563 12.866 ( 2.203 2.723 9.865) 10.468 12.893 ( -0.164 3.077 10.290) 10.742 13.049 ( -1.238 -2.357 7.212) 7.688 13.065 ( -2.491 -2.387 6.782) 7.610 13.742 ( 6.093 5.542 8.939) 12.155 13.750 ( 5.380 6.205 8.758) 12.006 14.008 ( -1.279 -2.769 6.935) 7.576 14.098 ( -9.253 -5.371 8.469) 13.645 14.668 ( 2.753 4.625 -2.449) 5.914 14.718 ( -2.110 3.102 -0.578) 3.796 14.834 ( 0.645 -0.457 -4.941) 5.004 14.853 ( -1.230 -0.700 -4.592) 4.805 15.669 ( 0.897 5.674 -10.569) 12.030 15.684 ( -0.697 4.079 -11.228) 11.966 15.947 ( 2.610 -8.164 -10.133) 13.272 15.993 ( -2.287 -9.106 -11.037) 14.490 16.825 ( 2.484 2.465 -3.837) 5.194 16.866 ( -1.179 2.264 -4.532) 5.202 16.963 ( 2.847 -4.349 -0.551) 5.227 17.037 ( -4.451 -6.576 -0.999) 8.003 24.166 ( 2.743 0.750 1.580) 3.253 24.174 ( 3.924 0.232 2.090) 4.452 24.210 ( -1.877 1.579 1.778) 3.029 24.244 ( -3.472 -0.256 2.098) 4.064 25.044 ( 1.932 0.911 4.451) 4.937 25.067 ( -0.000 0.998 4.770) 4.873 25.230 ( 1.668 -7.311 4.052) 8.524 25.283 ( -3.450 -8.694 4.193) 10.251 26.588 ( 0.815 11.631 -9.091) 14.785 26.599 ( -0.238 12.177 -10.064) 15.799 26.731 ( 3.875 4.756 -11.974) 13.454 26.811 ( -4.499 2.656 -14.806) 15.700 28.739 ( 1.876 7.863 13.697) 15.905 28.780 ( -2.437 10.001 12.964) 16.554 29.179 ( 7.687 -13.115 14.470) 20.988 29.327 ( -8.165 -16.417 11.808) 21.809 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 0.000 -12.335 16.172) 20.339 3.719 ( 0.000 12.335 16.172) 20.339 4.033 ( 0.000 -4.100 18.088) 18.547 4.033 ( 0.000 4.100 18.088) 18.547 4.325 ( 0.000 -13.605 -1.974) 13.748 4.325 ( 0.000 13.605 -1.974) 13.748 4.798 ( 0.000 -0.909 6.884) 6.944 4.798 ( 0.000 0.909 6.884) 6.944 5.194 ( 0.000 -5.015 8.739) 10.076 5.194 ( 0.000 5.015 8.739) 10.076 5.672 ( 0.000 -7.526 -10.934) 13.274 5.672 ( 0.000 7.526 -10.934) 13.274 5.908 ( 0.000 -14.408 6.111) 15.651 5.908 ( 0.000 14.408 6.111) 15.651 6.244 ( 0.000 -8.548 -8.900) 12.341 6.244 ( 0.000 8.548 -8.900) 12.341 6.503 ( 0.000 -3.778 -10.712) 11.359 6.503 ( 0.000 3.778 -10.712) 11.359 7.025 ( 0.000 -2.235 8.772) 9.052 7.025 ( 0.000 2.235 8.772) 9.052 7.185 ( 0.000 -1.781 6.144) 6.397 7.185 ( 0.000 1.781 6.144) 6.397 7.334 ( 0.000 -0.912 -5.999) 6.068 7.334 ( 0.000 0.912 -5.999) 6.068 7.717 ( 0.000 -12.110 -14.066) 18.560 7.717 ( 0.000 12.110 -14.066) 18.560 7.918 ( 0.000 -1.133 -6.659) 6.755 7.918 ( 0.000 1.133 -6.659) 6.755 8.247 ( 0.000 -4.848 -7.060) 8.564 8.247 ( 0.000 4.848 -7.060) 8.564 8.455 ( 0.000 -1.360 -5.418) 5.587 8.455 ( 0.000 1.360 -5.418) 5.587 8.651 ( 0.000 -16.945 -2.018) 17.064 8.651 ( 0.000 16.945 -2.018) 17.064 9.181 ( 0.000 -19.573 -5.426) 20.311 9.181 ( 0.000 19.573 -5.426) 20.311 9.654 ( 0.000 -6.333 0.752) 6.378 9.654 ( 0.000 6.333 0.752) 6.378 9.808 ( 0.000 -4.472 -2.847) 5.301 9.808 ( 0.000 4.472 -2.847) 5.301 9.987 ( 0.000 -5.692 -5.717) 8.067 9.987 ( 0.000 5.692 -5.717) 8.067 10.086 ( 0.000 -13.050 -3.456) 13.499 10.086 ( 0.000 13.050 -3.456) 13.499 11.973 ( 0.000 -5.344 1.144) 5.465 11.973 ( 0.000 5.344 1.144) 5.465 12.110 ( 0.000 -1.531 -2.536) 2.962 12.110 ( 0.000 1.531 -2.536) 2.962 12.855 ( 0.000 -1.854 10.996) 11.152 12.855 ( 0.000 1.854 10.996) 11.152 13.127 ( 0.000 -0.781 9.678) 9.709 13.127 ( 0.000 0.781 9.678) 9.709 13.609 ( 0.000 -1.685 6.937) 7.138 13.609 ( 0.000 1.685 6.937) 7.138 14.172 ( 0.000 -5.130 12.752) 13.745 14.172 ( 0.000 5.130 12.752) 13.745 14.688 ( 0.000 -2.001 -3.703) 4.209 14.688 ( 0.000 2.001 -3.703) 4.209 14.887 ( 0.000 -0.843 -5.664) 5.726 14.887 ( 0.000 0.843 -5.664) 5.726 15.764 ( 0.000 -4.814 -11.030) 12.035 15.764 ( 0.000 4.814 -11.030) 12.035 15.828 ( 0.000 -10.335 -11.859) 15.730 15.828 ( 0.000 10.335 -11.859) 15.730 16.810 ( 0.000 -0.590 -3.161) 3.216 16.810 ( 0.000 0.590 -3.161) 3.216 17.009 ( 0.000 -3.886 -2.744) 4.757 17.009 ( 0.000 3.886 -2.744) 4.757 24.093 ( 0.000 -0.287 1.642) 1.666 24.093 ( 0.000 0.287 1.642) 1.666 24.287 ( 0.000 -1.687 1.363) 2.169 24.287 ( 0.000 1.687 1.363) 2.169 25.017 ( 0.000 -0.534 2.817) 2.867 25.017 ( 0.000 0.534 2.817) 2.867 25.227 ( 0.000 -3.359 7.492) 8.210 25.227 ( 0.000 3.359 7.492) 8.210 26.687 ( 0.000 -0.695 -9.472) 9.497 26.687 ( 0.000 0.695 -9.472) 9.497 26.836 ( 0.000 -7.138 -14.253) 15.940 26.836 ( 0.000 7.138 -14.253) 15.940 28.841 ( 0.000 -7.925 15.627) 17.521 28.841 ( 0.000 7.925 15.627) 17.521 29.132 ( 0.000 -17.042 11.304) 20.450 29.132 ( 0.000 17.042 11.304) 20.450 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.719 ( 0.585 -12.058 14.080) 18.547 3.719 ( 0.585 12.058 14.080) 18.547 4.001 ( -3.386 -4.573 11.573) 12.896 4.001 ( -3.386 4.573 11.573) 12.896 4.321 ( -0.056 -19.031 6.211) 20.019 4.321 ( -0.056 19.031 6.211) 20.019 4.729 ( -8.308 -9.031 9.344) 15.424 4.729 ( -8.308 9.031 9.344) 15.424 5.217 ( 4.633 -5.708 3.044) 7.957 5.217 ( 4.633 5.708 3.044) 7.957 5.638 ( -4.164 -6.713 0.628) 7.925 5.638 ( -4.164 6.713 0.628) 7.925 5.982 ( 7.740 -15.690 -3.427) 17.828 5.982 ( 7.740 15.690 -3.427) 17.828 6.303 ( 3.921 -9.201 -7.332) 12.401 6.303 ( 3.921 9.201 -7.332) 12.401 6.510 ( 1.852 -2.660 -12.111) 12.537 6.510 ( 1.852 2.660 -12.111) 12.537 6.985 ( -5.880 -6.020 -2.093) 8.672 6.985 ( -5.880 6.020 -2.093) 8.672 7.136 ( -1.252 -9.017 11.555) 14.710 7.136 ( -1.252 9.017 11.555) 14.710 7.337 ( -1.195 -9.547 -1.088) 9.683 7.337 ( -1.195 9.547 -1.088) 9.683 7.766 ( 4.889 -8.506 -12.594) 15.964 7.766 ( 4.889 8.506 -12.594) 15.964 7.948 ( 2.252 -1.286 -4.406) 5.113 7.948 ( 2.252 1.286 -4.406) 5.113 8.296 ( 4.012 -8.994 -5.965) 11.514 8.296 ( 4.012 8.994 -5.965) 11.514 8.485 ( 3.230 -9.321 -8.748) 13.185 8.485 ( 3.230 9.321 -8.748) 13.185 8.591 ( -4.305 -9.972 -1.129) 10.920 8.591 ( -4.305 9.972 -1.129) 10.920 9.125 ( -6.313 -16.962 -5.825) 19.012 9.125 ( -6.313 16.962 -5.825) 19.012 9.668 ( 1.385 -5.830 0.259) 5.998 9.668 ( 1.385 5.830 0.259) 5.998 9.783 ( -2.346 -3.107 -2.999) 4.915 9.783 ( -2.346 3.107 -2.999) 4.915 10.006 ( 1.818 -6.873 -5.034) 8.711 10.006 ( 1.818 6.873 -5.034) 8.711 10.084 ( -0.370 -12.725 -3.818) 13.290 10.084 ( -0.370 12.725 -3.818) 13.290 11.982 ( 1.035 -5.125 1.074) 5.338 11.982 ( 1.035 5.125 1.074) 5.338 12.094 ( -1.697 -2.079 -1.788) 3.225 12.094 ( -1.697 2.079 -1.788) 3.225 12.872 ( 1.948 -1.915 10.008) 10.374 12.872 ( 1.948 1.915 10.008) 10.374 13.094 ( -3.453 -0.694 9.217) 9.867 13.094 ( -3.453 0.694 9.217) 9.867 13.671 ( 6.519 -1.064 7.579) 10.053 13.671 ( 6.519 1.064 7.579) 10.053 14.123 ( -5.304 -4.833 11.920) 13.913 14.123 ( -5.304 4.833 11.920) 13.913 14.709 ( 2.146 -2.709 -3.367) 4.825 14.709 ( 2.146 2.709 -3.367) 4.825 14.866 ( -2.140 -1.158 -5.091) 5.643 14.866 ( -2.140 1.158 -5.091) 5.643 15.774 ( 0.954 -5.372 -11.150) 12.414 15.774 ( 0.954 5.372 -11.150) 12.414 15.825 ( -0.396 -9.792 -11.787) 15.329 15.825 ( -0.396 9.792 -11.787) 15.329 16.828 ( 1.960 -1.505 -3.049) 3.925 16.828 ( 1.960 1.505 -3.049) 3.925 16.989 ( -2.119 -3.739 -2.707) 5.079 16.989 ( -2.119 3.739 -2.707) 5.079 24.117 ( 2.569 -0.213 1.719) 3.098 24.117 ( 2.569 0.213 1.719) 3.098 24.274 ( -1.466 -1.453 1.480) 2.540 24.274 ( -1.466 1.453 1.480) 2.540 25.036 ( 2.058 -1.211 3.071) 3.891 25.036 ( 2.058 1.211 3.071) 3.891 25.207 ( -2.145 -3.298 6.890) 7.934 25.207 ( -2.145 3.298 6.890) 7.934 26.701 ( 1.507 -1.462 -9.893) 10.113 26.701 ( 1.507 1.462 -9.893) 10.113 26.822 ( -1.507 -6.543 -13.762) 15.313 26.822 ( -1.507 6.543 -13.762) 15.313 28.865 ( 2.607 -8.964 15.256) 17.886 28.865 ( 2.607 8.964 15.256) 17.886 29.100 ( -3.332 -16.224 11.768) 20.317 29.100 ( -3.332 16.224 11.768) 20.317 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.768 ( 5.310 -9.206 9.666) 14.366 3.768 ( 5.310 9.206 9.666) 14.366 3.898 ( -7.764 -5.521 6.960) 11.798 3.898 ( -7.764 5.521 6.960) 11.798 4.369 ( 6.282 -21.295 12.641) 25.548 4.369 ( 6.282 21.295 12.641) 25.548 4.536 ( -11.222 -17.021 11.608) 23.461 4.536 ( -11.222 17.021 11.608) 23.461 5.360 ( 9.662 -6.432 1.984) 11.775 5.360 ( 9.662 6.432 1.984) 11.775 5.525 ( -8.074 -7.518 4.354) 11.861 5.525 ( -8.074 7.518 4.354) 11.861 6.147 ( 9.341 -11.200 -7.766) 16.523 6.147 ( 9.341 11.200 -7.766) 16.523 6.288 ( -5.424 -8.511 -8.671) 13.306 6.288 ( -5.424 8.511 -8.671) 13.306 6.622 ( 9.811 -6.595 -9.428) 15.121 6.622 ( 9.811 6.595 -9.428) 15.121 6.818 ( -11.048 -8.945 -8.025) 16.324 6.818 ( -11.048 8.945 -8.025) 16.324 7.183 ( 5.132 -9.579 9.648) 14.532 7.183 ( 5.132 9.579 9.648) 14.532 7.280 ( -4.816 -9.571 3.258) 11.199 7.280 ( -4.816 9.571 3.258) 11.199 7.873 ( 6.205 -5.338 -7.174) 10.884 7.873 ( 6.205 5.338 -7.174) 10.884 7.956 ( -2.120 -2.447 -3.347) 4.656 7.956 ( -2.120 2.447 -3.347) 4.656 8.351 ( 2.613 -10.646 -4.570) 11.876 8.351 ( 2.613 10.646 -4.570) 11.876 8.426 ( -6.080 -15.895 -5.862) 17.999 8.426 ( -6.080 15.895 -5.862) 17.999 8.708 ( 13.485 -7.974 -6.878) 17.110 8.708 ( 13.485 7.974 -6.878) 17.110 8.954 ( -12.338 -11.864 -6.692) 18.379 8.954 ( -12.338 11.864 -6.692) 18.379 9.699 ( 1.920 -3.612 -1.083) 4.231 9.699 ( 1.920 3.612 -1.083) 4.231 9.738 ( -2.389 -0.912 -2.454) 3.544 9.738 ( -2.389 0.912 -2.454) 3.544 10.042 ( 1.907 -9.237 -4.399) 10.407 10.042 ( 1.907 9.237 -4.399) 10.407 10.070 ( -1.164 -11.438 -4.216) 12.246 10.070 ( -1.164 11.438 -4.216) 12.246 12.011 ( 2.090 -4.378 0.672) 4.897 12.011 ( 2.090 4.378 0.672) 4.897 12.054 ( -2.522 -3.216 -0.351) 4.102 12.054 ( -2.522 3.216 -0.351) 4.102 12.928 ( 4.192 -1.777 8.603) 9.733 12.928 ( 4.192 1.777 8.603) 9.733 13.014 ( -4.998 -1.206 8.455) 9.895 13.014 ( -4.998 1.206 8.455) 9.895 13.822 ( 9.476 -1.336 8.891) 13.063 13.822 ( 9.476 1.336 8.891) 13.063 13.992 ( -8.780 -3.421 10.366) 14.009 13.992 ( -8.780 3.421 10.366) 14.009 14.758 ( 3.147 -2.740 -3.232) 5.278 14.758 ( 3.147 2.740 -3.232) 5.278 14.817 ( -3.169 -1.927 -3.950) 5.419 14.817 ( -3.169 1.927 -3.950) 5.419 15.794 ( 1.190 -6.737 -11.392) 13.288 15.794 ( 1.190 6.737 -11.392) 13.288 15.813 ( -0.863 -8.402 -11.614) 14.361 15.813 ( -0.863 8.402 -11.614) 14.361 16.876 ( 3.239 -2.566 -2.825) 5.006 16.876 ( 3.239 2.566 -2.825) 5.006 16.938 ( -3.334 -3.306 -2.692) 5.412 16.938 ( -3.334 3.306 -2.692) 5.412 24.175 ( 3.507 -0.167 1.810) 3.950 24.175 ( 3.507 0.167 1.810) 3.950 24.234 ( -2.835 -0.842 1.711) 3.416 24.234 ( -2.835 0.842 1.711) 3.416 25.088 ( 3.509 -2.195 3.955) 5.725 25.088 ( 3.509 2.195 3.955) 5.725 25.154 ( -3.557 -2.957 5.438) 7.139 25.154 ( -3.557 2.957 5.438) 7.139 26.738 ( 2.476 -3.062 -11.030) 11.712 26.738 ( 2.476 3.062 -11.030) 11.712 26.784 ( -2.475 -4.981 -12.509) 13.690 26.784 ( -2.475 4.981 -12.509) 13.690 28.931 ( 4.588 -11.384 14.250) 18.807 28.931 ( 4.588 11.384 14.250) 18.807 29.021 ( -5.034 -14.095 12.923) 19.774 29.021 ( -5.034 14.095 12.923) 19.774 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.569 ( 0.000 0.000 37.854) 37.854 3.580 ( 0.000 0.000 38.031) 38.031 3.658 ( 0.000 0.000 15.881) 15.881 3.981 ( 0.000 0.000 20.677) 20.677 4.471 ( 0.000 0.000 3.351) 3.351 4.595 ( 0.000 0.000 -0.622) 0.622 4.710 ( 0.000 0.000 -20.802) 20.802 4.777 ( 0.000 0.000 -5.966) 5.966 4.823 ( 0.000 0.000 -9.825) 9.825 4.926 ( 0.000 0.000 -15.010) 15.010 4.934 ( 0.000 0.000 -21.884) 21.884 4.988 ( 0.000 0.000 -24.213) 24.213 5.624 ( 0.000 0.000 1.455) 1.455 5.838 ( 0.000 0.000 -7.517) 7.517 6.052 ( 0.000 0.000 6.369) 6.369 6.242 ( 0.000 0.000 10.727) 10.727 6.429 ( 0.000 0.000 9.737) 9.737 6.565 ( 0.000 0.000 -12.423) 12.423 6.654 ( 0.000 0.000 -16.042) 16.042 6.745 ( 0.000 0.000 -8.860) 8.860 6.775 ( 0.000 0.000 5.032) 5.032 7.187 ( 0.000 0.000 1.298) 1.298 7.294 ( 0.000 0.000 -6.346) 6.346 7.358 ( 0.000 0.000 -5.873) 5.873 7.364 ( 0.000 0.000 3.059) 3.059 7.528 ( 0.000 0.000 -13.420) 13.420 7.926 ( 0.000 0.000 7.620) 7.620 7.969 ( 0.000 0.000 3.620) 3.620 8.076 ( 0.000 0.000 18.562) 18.562 8.309 ( 0.000 0.000 20.321) 20.321 8.568 ( 0.000 0.000 -2.482) 2.482 8.594 ( 0.000 0.000 4.826) 4.826 8.794 ( 0.000 0.000 -11.009) 11.009 9.053 ( 0.000 0.000 0.489) 0.489 9.093 ( 0.000 0.000 -1.974) 1.974 9.094 ( 0.000 0.000 -3.693) 3.693 9.201 ( 0.000 0.000 -1.376) 1.376 9.295 ( 0.000 0.000 -13.324) 13.324 10.021 ( 0.000 0.000 1.214) 1.214 10.059 ( 0.000 0.000 -1.907) 1.907 10.084 ( 0.000 0.000 -0.828) 0.828 10.119 ( 0.000 0.000 -5.073) 5.073 10.160 ( 0.000 0.000 -3.880) 3.880 10.515 ( 0.000 0.000 -13.694) 13.694 11.856 ( 0.000 0.000 4.694) 4.694 11.890 ( 0.000 0.000 3.620) 3.620 12.356 ( 0.000 0.000 0.792) 0.792 12.495 ( 0.000 0.000 -4.299) 4.299 12.972 ( 0.000 0.000 4.603) 4.603 13.015 ( 0.000 0.000 0.070) 0.070 13.078 ( 0.000 0.000 5.522) 5.522 13.136 ( 0.000 0.000 0.292) 0.292 13.379 ( 0.000 0.000 9.477) 9.477 13.636 ( 0.000 0.000 -1.320) 1.320 14.095 ( 0.000 0.000 5.039) 5.039 14.363 ( 0.000 0.000 -6.509) 6.509 14.469 ( 0.000 0.000 -0.397) 0.397 14.600 ( 0.000 0.000 -2.664) 2.664 14.888 ( 0.000 0.000 5.916) 5.916 14.929 ( 0.000 0.000 4.064) 4.064 15.421 ( 0.000 0.000 -2.813) 2.813 15.483 ( 0.000 0.000 -8.683) 8.683 16.178 ( 0.000 0.000 -3.011) 3.011 16.222 ( 0.000 0.000 -5.218) 5.218 16.501 ( 0.000 0.000 -4.567) 4.567 16.555 ( 0.000 0.000 -6.668) 6.668 17.275 ( 0.000 0.000 10.776) 10.776 17.701 ( 0.000 0.000 -8.388) 8.388 24.099 ( 0.000 0.000 0.709) 0.709 24.101 ( 0.000 0.000 0.800) 0.800 24.240 ( 0.000 0.000 4.781) 4.781 24.363 ( 0.000 0.000 -0.324) 0.324 25.156 ( 0.000 0.000 3.212) 3.212 25.217 ( 0.000 0.000 1.411) 1.411 25.573 ( 0.000 0.000 6.598) 6.598 25.691 ( 0.000 0.000 1.943) 1.943 25.799 ( 0.000 0.000 -3.159) 3.159 26.016 ( 0.000 0.000 3.051) 3.051 26.134 ( 0.000 0.000 -2.529) 2.529 26.152 ( 0.000 0.000 -19.933) 19.933 28.711 ( 0.000 0.000 7.980) 7.980 28.783 ( 0.000 0.000 4.772) 4.772 29.754 ( 0.000 0.000 16.069) 16.069 30.250 ( 0.000 0.000 -8.507) 8.507 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.572 ( -1.226 0.000 31.872) 31.896 3.603 ( -4.478 0.000 13.514) 14.237 3.617 ( 4.186 0.000 36.143) 36.385 3.977 ( -1.695 0.000 24.208) 24.267 4.321 ( -8.873 0.000 -6.180) 10.813 4.512 ( -8.354 0.000 -2.819) 8.817 4.551 ( -1.722 0.000 -4.150) 4.493 4.827 ( 0.088 0.000 -9.309) 9.309 4.902 ( -1.802 0.000 -13.487) 13.606 5.001 ( -1.951 0.000 -21.614) 21.702 5.111 ( 19.571 0.000 -16.492) 25.594 5.124 ( 15.626 0.000 -11.222) 19.238 5.636 ( 5.027 0.000 -1.300) 5.193 5.943 ( 7.621 0.000 -11.351) 13.672 6.081 ( 1.821 0.000 6.307) 6.564 6.238 ( 1.345 0.000 7.050) 7.177 6.405 ( -2.483 0.000 12.054) 12.307 6.503 ( -5.336 0.000 -9.499) 10.895 6.638 ( -2.550 0.000 -12.934) 13.183 6.718 ( -5.133 0.000 10.185) 11.406 6.776 ( 1.765 0.000 -9.695) 9.854 7.185 ( 0.015 0.000 -0.719) 0.719 7.214 ( -8.870 0.000 -1.979) 9.089 7.260 ( -7.605 0.000 -4.650) 8.914 7.324 ( -3.379 0.000 -5.737) 6.658 7.428 ( -9.591 0.000 -14.201) 17.136 7.931 ( 0.507 0.000 6.876) 6.895 7.966 ( -0.334 0.000 3.838) 3.852 8.128 ( 5.852 0.000 17.142) 18.114 8.369 ( 3.686 0.000 20.595) 20.922 8.582 ( 1.505 0.000 -3.259) 3.590 8.663 ( 6.783 0.000 3.811) 7.780 8.753 ( -3.794 0.000 -9.264) 10.011 9.028 ( -5.113 0.000 2.978) 5.917 9.091 ( 3.233 0.000 -0.527) 3.276 9.114 ( 2.013 0.000 -1.680) 2.622 9.281 ( 6.770 0.000 -8.697) 11.021 9.359 ( 5.750 0.000 -8.149) 9.974 9.948 ( -4.036 0.000 4.625) 6.139 10.047 ( -3.726 0.000 -4.032) 5.490 10.087 ( 0.378 0.000 -1.217) 1.274 10.150 ( -1.078 0.000 -3.719) 3.872 10.178 ( 5.492 0.000 -8.931) 10.485 10.483 ( -3.541 0.000 -14.894) 15.309 11.859 ( 0.303 0.000 4.600) 4.610 11.886 ( -0.382 0.000 3.731) 3.751 12.362 ( 0.684 0.000 0.325) 0.758 12.469 ( -2.583 0.000 -3.572) 4.408 12.981 ( 0.901 0.000 4.573) 4.661 13.021 ( 0.632 0.000 0.323) 0.709 13.072 ( -0.548 0.000 5.204) 5.233 13.125 ( -1.126 0.000 0.393) 1.193 13.440 ( 6.522 0.000 9.730) 11.714 13.690 ( 4.965 0.000 0.367) 4.979 14.068 ( -2.606 0.000 3.929) 4.715 14.320 ( -5.050 0.000 -5.492) 7.461 14.458 ( -0.587 0.000 -1.781) 1.875 14.563 ( -3.568 0.000 -3.062) 4.702 14.892 ( 0.445 0.000 5.737) 5.754 14.925 ( -0.387 0.000 4.240) 4.258 15.422 ( 0.167 0.000 -3.412) 3.416 15.472 ( -1.109 0.000 -8.078) 8.154 16.182 ( 0.477 0.000 -3.226) 3.261 16.218 ( -0.420 0.000 -5.011) 5.028 16.525 ( 2.618 0.000 -4.209) 4.957 16.586 ( 2.621 0.000 -6.690) 7.185 17.287 ( 1.665 0.000 9.652) 9.794 17.637 ( -6.606 0.000 -6.036) 8.949 24.119 ( 1.926 0.000 0.872) 2.114 24.127 ( 2.658 0.000 0.657) 2.738 24.233 ( -0.663 0.000 4.480) 4.528 24.343 ( -2.218 0.000 -0.053) 2.219 25.172 ( 1.955 0.000 3.974) 4.429 25.256 ( 2.993 0.000 2.217) 3.725 25.591 ( 2.849 0.000 2.677) 3.909 25.699 ( 0.830 0.000 1.670) 1.865 25.784 ( -1.496 0.000 -2.170) 2.636 26.032 ( 1.597 0.000 2.018) 2.573 26.087 ( -6.948 0.000 -18.713) 19.961 26.125 ( -0.946 0.000 -2.209) 2.403 28.718 ( 0.747 0.000 7.924) 7.960 28.777 ( -0.662 0.000 5.373) 5.413 29.793 ( 4.304 0.000 13.703) 14.363 30.194 ( -5.856 0.000 -6.012) 8.393 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.517 ( -1.756 0.000 11.962) 12.090 3.539 ( -3.418 0.000 15.479) 15.852 3.730 ( 7.984 0.000 32.238) 33.212 3.884 ( -8.073 0.000 28.613) 29.730 4.279 ( 3.677 0.000 1.417) 3.940 4.386 ( -6.604 0.000 4.125) 7.787 4.609 ( 7.785 0.000 -5.938) 9.791 4.771 ( -7.767 0.000 -6.518) 10.140 4.888 ( 1.060 0.000 -14.068) 14.108 4.929 ( -3.618 0.000 -16.778) 17.164 5.351 ( 9.364 0.000 -13.244) 16.220 5.392 ( 7.104 0.000 -14.450) 16.102 5.813 ( 12.320 0.000 -10.128) 15.949 5.991 ( -4.616 0.000 -16.425) 17.061 6.119 ( 5.060 0.000 10.192) 11.379 6.250 ( -5.227 0.000 2.148) 5.651 6.404 ( 5.614 0.000 15.905) 16.866 6.456 ( 2.263 0.000 -3.496) 4.165 6.554 ( -6.339 0.000 -7.353) 9.708 6.562 ( -10.739 0.000 17.419) 20.463 6.848 ( 7.735 0.000 -7.030) 10.452 7.044 ( -11.514 0.000 -4.352) 12.309 7.164 ( 0.326 0.000 -12.108) 12.113 7.200 ( 1.931 0.000 -4.027) 4.466 7.252 ( -8.206 0.000 -16.652) 18.564 7.254 ( -3.823 0.000 -5.448) 6.655 7.943 ( 0.797 0.000 5.511) 5.569 7.957 ( -0.667 0.000 4.453) 4.503 8.262 ( 7.871 0.000 16.441) 18.228 8.373 ( -3.456 0.000 17.611) 17.947 8.621 ( 2.785 0.000 -5.018) 5.739 8.681 ( -3.804 0.000 -7.032) 7.995 8.800 ( 7.636 0.000 6.191) 9.830 8.926 ( -6.261 0.000 6.838) 9.271 9.140 ( 1.749 0.000 -1.010) 2.020 9.147 ( 1.049 0.000 -1.254) 1.635 9.406 ( 5.719 0.000 -7.188) 9.185 9.443 ( 2.057 0.000 -5.849) 6.200 9.911 ( 0.381 0.000 3.082) 3.106 9.962 ( -4.670 0.000 -1.534) 4.915 10.100 ( 1.084 0.000 -2.180) 2.434 10.125 ( -1.526 0.000 -3.156) 3.506 10.283 ( 6.076 0.000 -15.288) 16.451 10.394 ( -5.911 0.000 -16.799) 17.808 11.867 ( 0.530 0.000 4.345) 4.377 11.877 ( -0.579 0.000 4.013) 4.055 12.381 ( 1.492 0.000 -0.728) 1.660 12.419 ( -2.609 0.000 -2.091) 3.343 13.002 ( 1.393 0.000 4.341) 4.559 13.024 ( -0.714 0.000 2.838) 2.926 13.072 ( 0.915 0.000 2.519) 2.680 13.098 ( -1.681 0.000 0.804) 1.863 13.595 ( 9.675 0.000 9.946) 13.875 13.732 ( -3.128 0.000 7.403) 8.036 14.057 ( 3.881 0.000 -2.104) 4.414 14.190 ( -8.610 0.000 -4.372) 9.657 14.462 ( 1.018 0.000 -3.394) 3.544 14.498 ( -3.049 0.000 -3.675) 4.776 14.903 ( 0.688 0.000 5.271) 5.316 14.916 ( -0.653 0.000 4.700) 4.745 15.429 ( 0.736 0.000 -4.850) 4.906 15.449 ( -1.318 0.000 -6.590) 6.721 16.194 ( 0.743 0.000 -3.784) 3.856 16.207 ( -0.708 0.000 -4.465) 4.521 16.583 ( 3.172 0.000 -4.343) 5.378 16.616 ( -0.002 0.000 -5.697) 5.697 17.352 ( 5.770 0.000 5.643) 8.071 17.489 ( -8.783 0.000 -0.480) 8.797 24.158 ( 2.062 0.000 1.388) 2.485 24.175 ( 1.197 0.000 0.747) 1.411 24.229 ( 1.418 0.000 3.132) 3.438 24.287 ( -3.692 0.000 0.778) 3.773 25.223 ( 3.334 0.000 5.296) 6.258 25.273 ( -1.470 0.000 5.303) 5.503 25.709 ( 10.109 0.000 -7.473) 12.571 25.720 ( 1.526 0.000 0.854) 1.749 25.752 ( -1.880 0.000 -0.483) 1.941 25.915 ( -11.410 0.000 -14.833) 18.714 26.066 ( 2.051 0.000 0.213) 2.062 26.101 ( -1.707 0.000 -1.273) 2.129 28.736 ( 1.264 0.000 7.560) 7.665 28.760 ( -1.219 0.000 6.613) 6.725 29.904 ( 7.705 0.000 7.653) 10.860 30.057 ( -8.646 0.000 0.227) 8.649 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.581 ( 0.000 2.405 36.850) 36.928 3.660 ( 0.000 5.952 22.669) 23.437 3.717 ( 0.000 6.997 26.647) 27.550 4.132 ( 0.000 12.636 16.258) 20.591 4.445 ( 0.000 -1.875 2.071) 2.794 4.641 ( 0.000 3.465 -1.569) 3.804 4.698 ( 0.000 -0.277 -21.141) 21.142 4.804 ( 0.000 4.187 -0.708) 4.247 4.913 ( 0.000 -1.667 -21.478) 21.542 4.948 ( 0.000 10.337 -6.558) 12.242 5.055 ( 0.000 11.808 -13.666) 18.060 5.063 ( 0.000 7.689 -17.690) 19.289 5.618 ( 0.000 -0.426 3.737) 3.761 5.839 ( 0.000 0.345 -2.441) 2.465 6.055 ( 0.000 0.138 1.240) 1.248 6.286 ( 0.000 2.253 4.085) 4.665 6.424 ( 0.000 -0.494 6.929) 6.946 6.540 ( 0.000 -1.962 -11.952) 12.112 6.640 ( 0.000 1.134 -12.596) 12.647 6.757 ( 0.000 0.956 -10.369) 10.413 6.858 ( 0.000 5.915 0.957) 5.992 7.152 ( 0.000 -0.837 7.340) 7.388 7.162 ( 0.000 -10.014 -7.343) 12.418 7.399 ( 0.000 1.564 -0.884) 1.797 7.459 ( 0.000 8.330 0.028) 8.330 7.570 ( 0.000 3.274 -12.752) 13.165 7.909 ( 0.000 -3.700 3.815) 5.314 7.911 ( 0.000 -2.226 6.588) 6.954 8.044 ( 0.000 -3.001 16.354) 16.627 8.353 ( 0.000 3.341 11.984) 12.441 8.381 ( 0.000 -8.320 1.329) 8.426 8.724 ( 0.000 3.523 1.820) 3.965 8.777 ( 0.000 -2.852 -8.055) 8.545 8.937 ( 0.000 -7.362 1.665) 7.548 9.097 ( 0.000 1.532 -3.999) 4.283 9.144 ( 0.000 1.651 -9.722) 9.861 9.290 ( 0.000 1.742 -4.847) 5.150 9.359 ( 0.000 11.265 -1.235) 11.333 9.911 ( 0.000 -8.819 3.354) 9.435 9.969 ( 0.000 -7.567 0.433) 7.580 10.058 ( 0.000 -3.123 -3.020) 4.345 10.064 ( 0.000 -3.762 -5.832) 6.941 10.208 ( 0.000 1.110 -4.142) 4.288 10.530 ( 0.000 0.472 -14.501) 14.508 11.889 ( 0.000 2.866 3.383) 4.434 11.891 ( 0.000 0.134 3.729) 3.731 12.308 ( 0.000 -4.412 1.874) 4.793 12.435 ( 0.000 -6.180 -3.623) 7.164 12.972 ( 0.000 0.518 4.101) 4.134 12.994 ( 0.000 -1.648 0.740) 1.807 13.144 ( 0.000 5.831 4.907) 7.621 13.159 ( 0.000 2.708 2.076) 3.412 13.431 ( 0.000 4.658 8.096) 9.341 13.634 ( 0.000 -0.074 -0.168) 0.184 14.127 ( 0.000 2.970 5.334) 6.105 14.394 ( 0.000 2.911 -6.503) 7.124 14.461 ( 0.000 -0.400 -0.833) 0.924 14.592 ( 0.000 -0.597 -3.441) 3.492 14.893 ( 0.000 0.127 5.900) 5.901 14.916 ( 0.000 -1.266 4.564) 4.737 15.426 ( 0.000 0.482 -3.040) 3.078 15.480 ( 0.000 -0.183 -7.914) 7.917 16.086 ( 0.000 -7.924 -3.412) 8.628 16.156 ( 0.000 -6.060 -6.653) 8.999 16.558 ( 0.000 4.517 -4.258) 6.208 16.597 ( 0.000 3.590 -5.828) 6.845 17.217 ( 0.000 -5.491 9.329) 10.825 17.584 ( 0.000 -10.934 -6.790) 12.870 24.102 ( 0.000 0.281 0.690) 0.745 24.103 ( 0.000 0.231 0.816) 0.848 24.239 ( 0.000 0.079 4.312) 4.312 24.357 ( 0.000 -0.626 -0.462) 0.778 25.133 ( 0.000 -2.052 2.778) 3.454 25.171 ( 0.000 -3.789 1.651) 4.133 25.542 ( 0.000 -2.979 6.931) 7.544 25.750 ( 0.000 -0.409 0.911) 0.998 25.907 ( 0.000 10.118 -3.586) 10.735 25.940 ( 0.000 3.052 -2.106) 3.708 26.215 ( 0.000 7.410 -3.065) 8.018 26.307 ( 0.000 10.087 -14.101) 17.337 28.741 ( 0.000 3.161 7.772) 8.390 28.796 ( 0.000 1.446 5.334) 5.527 29.699 ( 0.000 -5.438 15.664) 16.581 30.158 ( 0.000 -9.019 -6.835) 11.317 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.576 ( -1.038 1.996 30.872) 30.954 3.623 ( -5.062 2.689 11.840) 13.154 3.748 ( 5.148 10.538 34.412) 36.356 4.092 ( -4.039 9.290 17.239) 19.995 4.313 ( -8.383 -0.669 -4.802) 9.684 4.523 ( -9.515 2.378 -0.089) 9.808 4.642 ( 1.737 8.287 -2.975) 8.975 4.928 ( -0.094 8.442 -7.511) 11.300 5.002 ( -1.728 8.106 -12.321) 14.849 5.052 ( 8.223 3.274 -17.657) 19.752 5.130 ( 16.995 2.684 -15.469) 23.137 5.146 ( 7.773 5.622 -9.036) 13.178 5.605 ( 2.968 -2.780 1.249) 4.254 5.906 ( 4.788 -2.759 -5.428) 7.746 6.073 ( 0.355 -1.630 -0.033) 1.668 6.290 ( 1.338 3.566 1.921) 4.265 6.375 ( -10.588 -4.419 0.093) 11.473 6.468 ( 0.649 -1.432 -1.522) 2.189 6.564 ( -6.671 -0.047 -8.077) 10.476 6.787 ( 2.708 1.315 -10.860) 11.269 6.897 ( -0.150 9.393 5.636) 10.955 7.078 ( -6.009 -4.781 3.928) 8.625 7.187 ( 2.772 -1.774 -9.157) 9.731 7.307 ( -6.984 4.511 -0.004) 8.314 7.419 ( -5.731 6.613 -3.493) 9.422 7.527 ( -4.016 7.233 -12.572) 15.050 7.904 ( 0.335 -3.720 4.802) 6.083 7.923 ( 0.165 -1.636 3.690) 4.040 8.107 ( 6.457 -2.888 17.316) 18.705 8.363 ( 1.047 -0.881 12.755) 12.828 8.457 ( 6.544 -6.123 1.823) 9.145 8.681 ( -2.874 -0.960 -3.822) 4.878 8.800 ( 0.710 1.610 -2.772) 3.283 8.947 ( 0.385 -6.762 1.062) 6.856 9.092 ( 0.164 -0.177 -4.638) 4.644 9.164 ( 1.732 4.008 -2.695) 5.131 9.334 ( 4.694 0.124 -7.196) 8.592 9.396 ( 3.168 8.140 -2.239) 9.018 9.854 ( -3.735 -8.002 4.273) 9.810 9.963 ( -2.156 -8.193 -0.735) 8.504 10.036 ( -1.612 -4.743 -5.447) 7.400 10.062 ( -0.558 -3.273 -3.730) 4.993 10.253 ( 4.327 1.703 -6.127) 7.692 10.501 ( -3.068 0.693 -14.635) 14.969 11.889 ( 0.140 2.054 3.481) 4.045 11.894 ( 0.221 1.342 3.485) 3.741 12.315 ( 0.773 -4.405 1.222) 4.637 12.414 ( -2.071 -5.587 -3.109) 6.721 12.977 ( 0.642 -0.050 4.026) 4.077 13.001 ( 0.696 -1.558 0.916) 1.937 13.130 ( -1.289 5.062 4.847) 7.126 13.147 ( -1.179 2.752 2.191) 3.710 13.493 ( 6.433 4.795 8.211) 11.480 13.686 ( 4.947 -0.238 1.130) 5.080 14.096 ( -3.088 2.590 4.045) 5.710 14.330 ( -6.847 0.897 -4.923) 8.480 14.465 ( 0.750 0.877 -1.973) 2.286 14.572 ( -2.080 1.261 -3.778) 4.494 14.896 ( 0.320 -0.215 5.605) 5.618 14.914 ( -0.271 -1.000 4.684) 4.798 15.427 ( 0.188 0.518 -3.519) 3.561 15.471 ( -0.932 -0.028 -7.413) 7.471 16.095 ( 0.986 -7.638 -3.784) 8.581 16.151 ( -0.542 -6.185 -6.366) 8.893 16.574 ( 1.973 4.032 -3.757) 5.854 16.626 ( 2.378 3.424 -5.969) 7.281 17.226 ( 1.331 -5.755 8.356) 10.233 17.529 ( -5.713 -10.128 -4.911) 12.623 24.122 ( 1.998 0.365 0.815) 2.188 24.129 ( 2.652 0.220 0.706) 2.753 24.233 ( -0.568 0.142 4.048) 4.090 24.337 ( -2.080 -0.496 -0.174) 2.146 25.148 ( 1.834 -2.182 3.473) 4.493 25.206 ( 2.962 -4.057 2.042) 5.423 25.538 ( 0.162 -3.959 4.595) 6.068 25.736 ( -1.981 -3.544 -0.069) 4.061 25.892 ( -0.172 11.140 -2.516) 11.422 25.962 ( 1.172 5.059 -4.138) 6.640 26.210 ( -0.496 7.703 -3.030) 8.292 26.276 ( -3.133 10.836 -11.870) 16.374 28.746 ( 0.519 2.932 7.789) 8.338 28.792 ( -0.512 1.599 5.833) 6.070 29.736 ( 3.987 -5.724 13.469) 15.168 30.106 ( -5.400 -8.602 -4.596) 11.148 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.535 ( -2.121 2.180 12.739) 13.097 3.544 ( -2.804 1.533 13.712) 14.080 3.870 ( 7.636 12.166 30.034) 33.292 4.002 ( -6.266 9.988 24.458) 27.152 4.255 ( 2.577 -2.195 0.106) 3.386 4.364 ( -7.945 -1.004 5.692) 9.825 4.728 ( 6.993 10.919 -3.283) 13.375 4.866 ( -7.004 9.270 -3.820) 12.230 4.995 ( 1.399 9.679 -12.023) 15.499 5.038 ( -3.164 10.149 -14.377) 17.881 5.348 ( 9.394 -0.326 -10.497) 14.091 5.387 ( 6.932 -0.027 -13.066) 14.791 5.763 ( 12.643 -4.265 -8.713) 15.936 5.946 ( -3.226 -3.729 -15.884) 16.632 6.059 ( 0.212 -6.010 3.233) 6.828 6.141 ( -10.311 -9.953 1.151) 14.378 6.360 ( 3.769 -0.879 1.444) 4.131 6.435 ( -5.343 -4.136 -5.441) 8.676 6.551 ( 6.699 6.578 7.691) 12.136 6.723 ( -10.556 7.546 7.944) 15.215 6.909 ( 4.977 6.147 -2.541) 8.307 6.998 ( -3.848 -2.110 -1.078) 4.519 7.211 ( -2.323 4.134 -4.284) 6.390 7.231 ( -1.779 2.662 -9.339) 9.873 7.334 ( 1.605 10.997 -8.598) 14.051 7.432 ( -6.266 10.946 -11.950) 17.375 7.913 ( 0.532 -3.260 3.849) 5.072 7.921 ( -0.294 -2.186 3.491) 4.129 8.246 ( 7.856 -2.199 17.256) 19.088 8.352 ( -3.136 -2.024 15.772) 16.208 8.568 ( 4.869 -4.658 -1.580) 6.920 8.632 ( -2.724 -2.854 -5.266) 6.580 8.823 ( 2.846 0.118 0.760) 2.948 8.901 ( -4.754 -2.793 2.692) 6.136 9.138 ( 3.657 -1.298 -2.598) 4.670 9.179 ( -0.534 2.638 -1.528) 3.095 9.421 ( 3.622 0.177 -5.871) 6.900 9.443 ( 1.232 2.313 -3.394) 4.288 9.827 ( 1.354 -7.748 2.693) 8.314 9.892 ( -4.803 -7.088 0.159) 8.563 10.022 ( 0.299 -5.820 -6.090) 8.429 10.042 ( -1.493 -4.359 -4.729) 6.603 10.340 ( 4.979 2.028 -10.276) 11.597 10.429 ( -4.683 1.442 -13.671) 14.522 11.893 ( 0.264 2.098 3.379) 3.986 11.896 ( -0.018 1.979 3.335) 3.878 12.336 ( 1.545 -4.410 -0.234) 4.679 12.371 ( -2.359 -4.723 -1.817) 5.583 12.995 ( 1.209 -0.784 3.512) 3.796 13.010 ( -0.078 -1.404 1.905) 2.368 13.111 ( -0.374 3.842 4.090) 5.624 13.122 ( -1.338 2.876 2.682) 4.154 13.640 ( 8.772 4.228 8.366) 12.838 13.747 ( -0.912 1.392 6.272) 6.489 14.062 ( 1.802 0.712 -1.143) 2.249 14.177 ( -8.946 -0.950 -3.582) 9.684 14.488 ( 1.779 2.626 -3.088) 4.427 14.527 ( -2.488 3.077 -3.770) 5.466 14.902 ( 0.325 -0.592 5.150) 5.194 14.908 ( -0.323 -0.708 4.880) 4.941 15.435 ( 0.668 0.513 -4.710) 4.784 15.451 ( -1.119 0.306 -6.173) 6.281 16.116 ( 1.210 -7.054 -4.642) 8.531 16.137 ( -0.983 -6.531 -5.608) 8.664 16.622 ( 2.763 3.320 -3.764) 5.729 16.652 ( -0.097 3.104 -5.045) 5.925 17.281 ( 4.984 -6.679 4.848) 9.641 17.401 ( -7.652 -8.330 -0.371) 11.317 24.162 ( 2.070 0.478 1.279) 2.480 24.179 ( 1.376 0.365 0.700) 1.586 24.230 ( 1.263 0.059 2.896) 3.160 24.285 ( -3.538 -0.227 0.673) 3.609 25.195 ( 2.986 -2.511 4.644) 6.065 25.235 ( -0.580 -3.365 4.411) 5.578 25.576 ( 4.364 -6.892 -0.823) 8.198 25.671 ( -5.062 -7.344 -1.879) 9.116 25.916 ( 2.533 12.155 -3.868) 13.005 25.960 ( -1.601 8.454 -5.747) 10.347 26.202 ( -0.085 8.879 -3.388) 9.504 26.220 ( -2.296 10.909 -6.402) 12.856 28.760 ( 0.974 2.444 7.593) 8.036 28.778 ( -0.977 1.965 6.859) 7.201 29.838 ( 7.142 -6.514 7.871) 12.466 29.980 ( -8.000 -7.602 1.057) 11.086 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.691 ( 0.000 8.794 33.251) 34.394 3.783 ( 0.000 6.799 11.118) 13.032 3.904 ( 0.000 10.606 26.116) 28.188 4.322 ( 0.000 2.574 4.712) 5.369 4.425 ( 0.000 0.527 -2.619) 2.672 4.675 ( 0.000 -0.418 -2.101) 2.142 4.756 ( 0.000 7.719 -14.978) 16.850 4.841 ( 0.000 -2.519 -6.385) 6.864 5.019 ( 0.000 13.726 -0.233) 13.728 5.108 ( 0.000 5.375 5.819) 7.922 5.312 ( 0.000 15.159 -9.724) 18.010 5.321 ( 0.000 12.470 -12.136) 17.400 5.619 ( 0.000 1.242 5.770) 5.902 5.870 ( 0.000 3.383 5.369) 6.346 6.053 ( 0.000 0.038 -6.257) 6.257 6.281 ( 0.000 -1.669 -6.931) 7.129 6.404 ( 0.000 -2.097 3.624) 4.187 6.509 ( 0.000 -1.143 -12.230) 12.283 6.714 ( 0.000 5.615 -12.799) 13.976 6.716 ( 0.000 -8.059 -12.546) 14.912 6.964 ( 0.000 5.494 -6.172) 8.263 7.011 ( 0.000 -0.664 -2.548) 2.633 7.231 ( 0.000 8.088 17.529) 19.305 7.423 ( 0.000 0.957 -1.704) 1.954 7.612 ( 0.000 0.539 -8.741) 8.758 7.657 ( 0.000 8.391 -9.699) 12.825 7.824 ( 0.000 -3.084 11.775) 12.172 7.889 ( 0.000 1.857 0.551) 1.937 7.968 ( 0.000 -4.574 9.797) 10.812 8.332 ( 0.000 4.488 4.149) 6.112 8.390 ( 0.000 -0.970 4.763) 4.861 8.668 ( 0.000 -7.820 -4.550) 9.047 8.700 ( 0.000 -5.500 -0.794) 5.557 8.804 ( 0.000 -6.407 5.172) 8.234 9.056 ( 0.000 -7.130 -15.319) 16.897 9.178 ( 0.000 4.537 -6.965) 8.312 9.406 ( 0.000 7.776 4.688) 9.080 9.583 ( 0.000 10.785 -1.421) 10.878 9.734 ( 0.000 -8.341 3.517) 9.052 9.819 ( 0.000 -6.110 0.476) 6.128 9.972 ( 0.000 -5.359 -2.273) 5.821 9.988 ( 0.000 -3.314 -3.965) 5.168 10.165 ( 0.000 -5.566 -4.693) 7.280 10.477 ( 0.000 -7.135 -15.036) 16.642 11.898 ( 0.000 0.665 3.542) 3.604 11.950 ( 0.000 3.082 0.386) 3.107 12.204 ( 0.000 -5.783 1.738) 6.039 12.275 ( 0.000 -8.966 -2.661) 9.353 12.975 ( 0.000 0.223 3.467) 3.474 13.007 ( 0.000 2.763 4.075) 4.924 13.230 ( 0.000 3.738 4.684) 5.993 13.261 ( 0.000 4.838 5.535) 7.352 13.541 ( 0.000 6.212 5.968) 8.615 13.642 ( 0.000 1.262 1.571) 2.015 14.196 ( 0.000 3.791 6.204) 7.271 14.458 ( 0.000 1.824 -3.764) 4.183 14.481 ( 0.000 3.957 -3.492) 5.278 14.589 ( 0.000 0.381 -4.193) 4.210 14.878 ( 0.000 -1.878 5.551) 5.860 14.883 ( 0.000 -1.900 4.589) 4.967 15.439 ( 0.000 0.894 -4.063) 4.160 15.482 ( 0.000 0.500 -6.591) 6.610 15.909 ( 0.000 -9.400 -4.301) 10.337 16.003 ( 0.000 -9.241 -8.824) 12.778 16.645 ( 0.000 4.011 -3.606) 5.394 16.673 ( 0.000 3.771 -4.634) 5.975 17.086 ( 0.000 -7.093 5.744) 9.127 17.327 ( 0.000 -13.712 -4.244) 14.354 24.109 ( 0.000 0.401 0.676) 0.786 24.109 ( 0.000 0.323 0.874) 0.931 24.250 ( 0.000 1.054 3.027) 3.205 24.341 ( 0.000 -0.847 -0.561) 1.016 25.090 ( 0.000 -2.046 2.211) 3.013 25.102 ( 0.000 -2.646 1.921) 3.270 25.466 ( 0.000 -4.422 7.214) 8.462 25.622 ( 0.000 -8.484 1.874) 8.688 26.153 ( 0.000 13.728 -4.667) 14.500 26.169 ( 0.000 14.697 -3.961) 15.221 26.383 ( 0.000 8.627 -4.121) 9.560 26.488 ( 0.000 7.696 -13.006) 15.113 28.839 ( 0.000 6.939 7.105) 9.931 28.846 ( 0.000 3.818 6.853) 7.845 29.550 ( 0.000 -9.355 14.555) 17.302 29.917 ( 0.000 -14.788 -3.006) 15.090 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.665 ( -2.778 7.073 26.342) 27.416 3.716 ( -6.056 6.476 9.009) 12.640 3.967 ( 6.769 10.762 26.378) 29.282 4.220 ( -7.208 1.785 3.063) 8.032 4.301 ( -8.231 -0.325 -1.896) 8.453 4.639 ( -10.403 8.928 5.640) 14.824 4.824 ( 9.530 8.132 -0.364) 12.533 4.986 ( 12.315 -5.107 -8.015) 15.556 5.093 ( 2.560 6.510 0.444) 7.010 5.216 ( 12.710 9.922 -4.582) 16.763 5.267 ( -0.123 9.202 -10.495) 13.958 5.372 ( -2.276 12.432 -6.824) 14.363 5.582 ( 2.817 4.301 0.124) 5.143 5.873 ( -0.381 0.294 2.333) 2.382 6.018 ( -4.308 -3.076 -5.707) 7.784 6.277 ( -7.568 -2.169 -6.533) 10.230 6.305 ( -7.729 -3.066 -15.670) 17.739 6.464 ( 1.850 1.043 -1.670) 2.702 6.659 ( -4.786 4.019 -4.285) 7.578 6.771 ( 4.907 -1.163 -8.921) 10.248 6.949 ( 4.660 2.752 -1.113) 5.525 7.141 ( -2.263 2.501 4.624) 5.723 7.232 ( 5.774 8.965 4.336) 11.512 7.375 ( -3.583 2.595 -1.709) 4.743 7.585 ( -2.709 3.513 -6.058) 7.508 7.636 ( -2.027 8.501 -9.772) 13.110 7.863 ( 2.737 -2.041 4.267) 5.465 7.887 ( -0.105 0.803 0.339) 0.878 8.027 ( 6.479 -4.084 14.135) 16.077 8.342 ( 0.321 1.440 6.603) 6.765 8.418 ( 3.134 -0.119 3.963) 5.054 8.609 ( -2.933 -6.026 -2.624) 7.197 8.777 ( 4.084 -5.268 -4.651) 8.128 8.789 ( -0.732 -7.822 2.372) 8.206 9.028 ( -2.341 -7.936 -10.601) 13.448 9.208 ( 1.893 1.926 -6.962) 7.467 9.409 ( 0.882 6.788 3.006) 7.476 9.578 ( -1.047 9.234 -1.493) 9.412 9.699 ( -2.766 -6.846 3.216) 8.054 9.793 ( -2.462 -6.935 -0.331) 7.367 9.957 ( -1.347 -3.666 -1.961) 4.371 9.981 ( -0.739 -4.163 -3.934) 5.775 10.216 ( 4.745 -5.476 -5.283) 8.968 10.452 ( -2.596 -6.810 -13.913) 15.707 11.907 ( 1.015 0.951 3.150) 3.443 11.951 ( 0.006 2.972 0.586) 3.029 12.209 ( 0.567 -5.954 1.141) 6.088 12.267 ( -0.826 -8.388 -2.424) 8.770 12.976 ( 0.224 0.119 3.634) 3.643 13.004 ( -0.145 2.165 3.747) 4.330 13.211 ( -1.801 3.283 4.799) 6.087 13.237 ( -2.267 4.265 5.372) 7.224 13.608 ( 6.766 6.583 5.673) 11.013 13.693 ( 5.054 1.360 2.256) 5.700 14.155 ( -3.982 3.145 4.694) 6.912 14.357 ( -9.538 1.835 -4.065) 10.529 14.499 ( 2.748 2.643 -0.819) 3.900 14.624 ( 1.377 3.850 -5.318) 6.708 14.857 ( -0.696 -3.223 6.128) 6.959 14.897 ( 0.178 -1.339 4.074) 4.292 15.442 ( 0.315 1.015 -4.238) 4.369 15.476 ( -0.563 0.706 -6.302) 6.367 15.921 ( 1.204 -9.493 -4.927) 10.763 15.995 ( -0.820 -9.328 -8.517) 12.658 16.655 ( 1.409 3.929 -3.047) 5.168 16.697 ( 1.959 3.504 -4.870) 6.311 17.088 ( 0.577 -7.483 5.177) 9.118 17.290 ( -3.840 -12.784 -3.220) 13.731 24.132 ( 2.218 0.501 0.764) 2.399 24.135 ( 2.682 0.372 0.816) 2.828 24.244 ( -0.606 0.981 2.877) 3.099 24.325 ( -1.771 -0.686 -0.278) 1.920 25.102 ( 1.655 -2.089 2.836) 3.892 25.133 ( 2.718 -2.838 1.926) 4.377 25.448 ( -1.504 -4.969 5.870) 7.836 25.590 ( -3.419 -8.560 1.248) 9.302 26.160 ( 0.921 14.109 -4.572) 14.860 26.182 ( 1.020 13.993 -4.291) 14.672 26.383 ( 0.101 8.836 -4.411) 9.876 26.469 ( -1.991 8.277 -11.765) 14.522 28.835 ( -0.173 5.820 7.461) 9.465 28.849 ( 0.031 4.875 6.918) 8.463 29.579 ( 3.160 -9.831 12.795) 16.443 29.876 ( -4.313 -14.194 -1.337) 14.895 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.612 ( -2.028 5.928 13.380) 14.774 3.621 ( -3.283 6.238 8.119) 10.752 4.123 ( 5.585 10.321 17.246) 20.860 4.149 ( 0.769 3.977 15.184) 15.715 4.199 ( 0.702 -3.494 0.021) 3.563 4.408 ( -14.198 6.712 15.839) 22.305 4.988 ( 8.589 13.496 -0.026) 15.998 5.101 ( -1.988 11.283 3.900) 12.102 5.135 ( 3.204 -0.894 -2.695) 4.282 5.212 ( -6.242 3.382 -5.497) 8.979 5.386 ( 8.188 7.494 -8.850) 14.196 5.435 ( 5.345 6.019 -10.864) 13.521 5.739 ( 11.796 6.189 -5.852) 14.550 5.875 ( 1.483 -4.066 -5.935) 7.345 5.914 ( -6.252 -7.218 -5.733) 11.138 6.009 ( -13.904 1.497 -7.800) 16.012 6.307 ( 1.574 -4.425 -13.649) 14.434 6.384 ( -6.927 -2.512 -12.930) 14.882 6.708 ( 7.741 8.384 8.217) 14.062 6.831 ( -2.386 3.677 -0.403) 4.402 7.015 ( 2.564 3.566 4.070) 5.988 7.062 ( -2.602 7.087 7.242) 10.461 7.286 ( 1.198 4.872 -0.428) 5.035 7.339 ( -2.618 6.301 -3.412) 7.629 7.558 ( 1.225 8.663 -8.676) 12.321 7.599 ( -2.257 5.732 -11.351) 12.915 7.884 ( 0.311 1.785 0.737) 1.956 7.890 ( -0.079 -0.078 -0.074) 0.134 8.179 ( 9.055 -3.477 16.322) 18.987 8.309 ( -4.558 -1.470 12.974) 13.830 8.495 ( 4.787 -2.198 1.171) 5.396 8.565 ( -2.662 -3.998 -2.169) 5.270 8.775 ( 0.428 -5.752 -2.922) 6.466 8.807 ( -2.000 -6.489 -6.009) 9.067 9.051 ( 6.084 -8.509 -5.229) 11.694 9.178 ( -5.674 -3.606 -5.343) 8.588 9.460 ( 4.310 4.824 -0.440) 6.484 9.535 ( -3.554 5.974 -1.042) 7.029 9.682 ( 1.512 -5.179 1.799) 5.688 9.738 ( -3.649 -6.133 0.066) 7.137 9.942 ( 0.128 -2.763 -3.053) 4.120 9.960 ( -1.443 -3.743 -3.847) 5.558 10.308 ( 4.985 -5.547 -7.350) 10.471 10.390 ( -4.080 -6.067 -10.789) 13.033 11.929 ( 1.232 1.666 2.226) 3.041 11.946 ( -0.580 2.480 1.243) 2.834 12.224 ( 1.115 -6.375 -0.269) 6.478 12.247 ( -1.290 -7.219 -1.632) 7.512 12.987 ( 0.925 0.323 3.799) 3.923 13.001 ( -0.436 1.100 3.534) 3.727 13.182 ( -0.753 2.632 4.931) 5.640 13.195 ( -1.942 3.092 4.961) 6.159 13.747 ( 6.999 6.481 5.323) 10.924 13.787 ( 3.443 2.964 4.333) 6.278 14.089 ( -1.299 1.810 1.125) 2.496 14.173 ( -9.422 0.931 -1.939) 9.664 14.558 ( 3.489 4.183 -1.436) 5.633 14.614 ( -2.277 5.244 -3.530) 6.719 14.863 ( 1.157 -3.116 5.048) 6.044 14.887 ( -1.158 -1.851 3.988) 4.546 15.450 ( 0.640 1.181 -4.788) 4.973 15.463 ( -0.773 1.071 -5.591) 5.745 15.947 ( 1.590 -9.582 -6.276) 11.564 15.975 ( -1.390 -9.501 -7.611) 12.253 16.692 ( 2.223 3.546 -2.936) 5.112 16.718 ( -0.177 3.332 -4.063) 5.258 17.121 ( 3.295 -8.726 2.834) 9.748 17.203 ( -5.265 -10.698 -0.577) 11.937 24.176 ( 2.288 0.842 1.087) 2.669 24.190 ( 2.116 0.715 0.563) 2.303 24.233 ( 0.296 0.375 2.341) 2.389 24.279 ( -3.185 -0.342 0.512) 3.244 25.144 ( 2.597 -2.133 3.760) 5.043 25.171 ( 0.445 -2.513 3.348) 4.210 25.441 ( 1.650 -6.884 2.174) 7.406 25.509 ( -5.000 -8.349 0.416) 9.740 26.183 ( 1.266 13.830 -4.774) 14.686 26.194 ( 0.094 13.570 -4.690) 14.358 26.392 ( 1.106 9.320 -5.745) 11.004 26.426 ( -2.434 9.253 -8.699) 12.931 28.837 ( 0.345 5.395 7.689) 9.400 28.845 ( -0.444 5.194 7.383) 9.037 29.661 ( 5.723 -11.092 8.320) 15.000 29.775 ( -6.420 -12.739 2.971) 14.571 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.901 ( 0.000 10.998 25.228) 27.521 3.914 ( 0.000 6.235 9.333) 11.224 4.115 ( 0.000 10.248 11.864) 15.677 4.288 ( 0.000 -2.743 4.312) 5.111 4.409 ( 0.000 -2.722 -7.155) 7.655 4.584 ( 0.000 -9.068 8.620) 12.511 4.855 ( 0.000 5.123 -1.214) 5.265 4.972 ( 0.000 12.173 -8.688) 14.955 5.146 ( 0.000 -2.258 13.851) 14.034 5.273 ( 0.000 8.471 3.394) 9.126 5.430 ( 0.000 0.113 -5.618) 5.619 5.520 ( 0.000 4.314 -5.606) 7.074 5.714 ( 0.000 7.730 -2.262) 8.054 5.952 ( 0.000 1.882 5.705) 6.008 6.094 ( 0.000 4.424 -9.173) 10.184 6.244 ( 0.000 -2.429 -13.490) 13.707 6.360 ( 0.000 -1.626 4.825) 5.092 6.410 ( 0.000 -8.648 -6.654) 10.912 6.651 ( 0.000 7.503 -10.433) 12.851 6.869 ( 0.000 10.022 -12.562) 16.070 7.062 ( 0.000 3.260 -8.043) 8.679 7.109 ( 0.000 7.579 -4.603) 8.867 7.406 ( 0.000 8.677 11.414) 14.338 7.413 ( 0.000 -3.288 -4.160) 5.302 7.548 ( 0.000 -11.630 -3.192) 12.060 7.595 ( 0.000 -1.836 -6.797) 7.041 7.887 ( 0.000 -1.828 4.400) 4.765 7.951 ( 0.000 2.786 -1.230) 3.045 8.026 ( 0.000 13.755 7.423) 15.630 8.298 ( 0.000 -6.730 7.504) 10.080 8.501 ( 0.000 -8.067 -1.493) 8.204 8.523 ( 0.000 3.311 2.533) 4.169 8.559 ( 0.000 0.336 4.194) 4.208 8.711 ( 0.000 1.437 -1.584) 2.139 8.866 ( 0.000 -11.207 -7.591) 13.536 9.280 ( 0.000 0.988 -12.939) 12.977 9.532 ( 0.000 3.603 1.443) 3.882 9.612 ( 0.000 0.031 4.081) 4.081 9.752 ( 0.000 2.020 -1.046) 2.274 9.761 ( 0.000 2.772 -2.568) 3.779 9.862 ( 0.000 -4.797 0.006) 4.797 9.955 ( 0.000 0.056 -2.123) 2.124 10.017 ( 0.000 -8.060 -4.543) 9.252 10.245 ( 0.000 -15.190 -12.533) 19.693 11.924 ( 0.000 2.197 2.358) 3.223 12.005 ( 0.000 2.409 -2.154) 3.232 12.089 ( 0.000 -5.722 0.100) 5.723 12.124 ( 0.000 -5.751 -2.542) 6.288 13.005 ( 0.000 2.575 6.653) 7.134 13.058 ( 0.000 1.731 5.519) 5.784 13.282 ( 0.000 1.507 6.266) 6.444 13.311 ( 0.000 0.489 6.841) 6.859 13.660 ( 0.000 5.182 4.229) 6.689 13.687 ( 0.000 2.813 2.555) 3.800 14.282 ( 0.000 5.102 7.662) 9.205 14.458 ( 0.000 -1.808 2.069) 2.748 14.589 ( 0.000 5.523 -4.299) 6.999 14.603 ( 0.000 1.100 -3.006) 3.201 14.825 ( 0.000 -2.792 2.813) 3.964 14.850 ( 0.000 -1.485 2.058) 2.538 15.472 ( 0.000 2.885 -6.713) 7.307 15.507 ( 0.000 2.136 -6.549) 6.889 15.736 ( 0.000 -7.703 -5.145) 9.263 15.803 ( 0.000 -10.545 -9.562) 14.235 16.714 ( 0.000 2.963 -2.560) 3.916 16.738 ( 0.000 2.665 -3.236) 4.192 16.968 ( 0.000 -4.179 1.428) 4.417 17.088 ( 0.000 -9.861 -3.077) 10.330 24.115 ( 0.000 0.244 0.898) 0.931 24.116 ( 0.000 0.244 0.714) 0.754 24.277 ( 0.000 1.551 1.561) 2.201 24.325 ( 0.000 -0.874 -0.253) 0.910 25.063 ( 0.000 -0.550 1.926) 2.003 25.072 ( 0.000 -0.658 1.694) 1.818 25.387 ( 0.000 -2.924 7.162) 7.736 25.468 ( 0.000 -6.738 4.188) 7.934 26.407 ( 0.000 11.134 -6.372) 12.828 26.423 ( 0.000 10.023 -5.294) 11.335 26.521 ( 0.000 4.709 -5.284) 7.078 26.591 ( 0.000 2.387 -11.654) 11.896 28.953 ( 0.000 7.043 8.826) 11.292 29.016 ( 0.000 10.820 5.865) 12.307 29.349 ( 0.000 -10.528 12.953) 16.692 29.603 ( 0.000 -16.406 1.000) 16.436 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.835 ( -5.505 9.042 16.880) 19.925 3.859 ( -5.116 7.523 8.069) 12.160 4.131 ( 0.494 2.626 6.601) 7.122 4.197 ( -7.308 -1.958 2.096) 7.851 4.319 ( -2.352 4.907 10.430) 11.764 4.795 ( 7.547 -6.425 2.206) 10.154 4.819 ( -5.185 2.983 10.803) 12.349 4.985 ( 8.795 6.988 -5.720) 12.606 5.114 ( -3.256 -4.295 12.105) 13.251 5.301 ( 0.882 -3.235 -5.147) 6.143 5.448 ( 6.757 10.516 -3.916) 13.099 5.578 ( 1.349 9.318 -2.859) 9.839 5.745 ( 4.341 5.018 -4.220) 7.864 5.924 ( -2.815 1.780 -1.319) 3.582 6.035 ( -4.750 7.254 -4.170) 9.621 6.221 ( -2.168 -4.422 -16.209) 16.941 6.291 ( -6.626 1.601 -8.854) 11.174 6.532 ( 9.048 0.217 1.429) 9.163 6.575 ( -4.254 3.519 -5.180) 7.571 6.903 ( 0.871 6.699 -7.600) 10.169 7.051 ( 3.171 6.103 -4.121) 8.017 7.166 ( 0.800 1.952 -1.187) 2.421 7.366 ( -3.143 -1.732 -0.379) 3.609 7.428 ( -0.247 2.540 -2.147) 3.335 7.520 ( 2.781 -2.597 -2.162) 4.376 7.719 ( 8.715 -3.059 -5.759) 10.885 7.915 ( -0.521 3.653 1.016) 3.827 7.976 ( 1.169 4.210 -0.828) 4.447 8.019 ( 3.392 9.280 11.995) 15.540 8.332 ( 2.573 -3.538 7.275) 8.489 8.467 ( -1.163 -7.332 -0.199) 7.427 8.528 ( -1.542 9.915 3.901) 10.766 8.574 ( 1.826 -10.223 -1.592) 10.506 8.702 ( 0.037 -1.903 -2.760) 3.353 8.818 ( -4.736 -10.837 -6.658) 13.572 9.227 ( -6.420 -4.025 -11.062) 13.409 9.537 ( 1.208 5.960 0.528) 6.104 9.617 ( 0.686 1.097 3.255) 3.503 9.720 ( -3.537 1.800 -2.115) 4.497 9.739 ( -1.611 2.813 -1.115) 3.428 9.873 ( 1.012 -3.607 -0.497) 3.779 9.945 ( -1.067 0.197 -2.176) 2.432 10.063 ( 4.205 -8.774 -4.746) 10.825 10.232 ( -1.349 -14.342 -11.265) 18.287 11.935 ( 1.151 2.070 2.059) 3.138 12.003 ( -0.345 2.273 -1.676) 2.846 12.092 ( 0.421 -5.674 -0.110) 5.691 12.123 ( -0.143 -5.661 -2.271) 6.101 13.003 ( 0.118 2.507 6.209) 6.697 13.053 ( -0.332 1.961 5.015) 5.395 13.249 ( -3.286 0.630 6.181) 7.029 13.277 ( -3.347 -0.019 6.378) 7.203 13.733 ( 7.390 5.266 4.078) 9.949 13.746 ( 6.021 3.678 3.024) 7.676 14.224 ( -5.525 4.058 6.176) 9.227 14.375 ( -8.814 -1.034 0.472) 8.887 14.575 ( 2.778 5.101 -0.583) 5.838 14.694 ( 4.453 2.102 -4.093) 6.403 14.796 ( -2.182 -2.026 3.904) 4.910 14.856 ( -0.129 -2.580 1.912) 3.214 15.478 ( 0.618 3.088 -6.483) 7.208 15.506 ( -0.089 2.481 -6.382) 6.847 15.742 ( 0.651 -8.195 -5.917) 10.129 15.795 ( -0.755 -10.440 -9.440) 14.095 16.726 ( 1.425 3.226 -2.204) 4.159 16.760 ( 1.911 2.693 -3.552) 4.850 16.960 ( -0.569 -4.846 1.442) 5.088 17.066 ( -2.348 -9.370 -2.629) 10.011 24.140 ( 2.532 0.346 0.833) 2.688 24.142 ( 2.703 0.267 0.862) 2.850 24.269 ( -0.896 1.401 1.536) 2.264 24.311 ( -1.480 -0.748 -0.044) 1.659 25.079 ( 1.898 -0.196 2.405) 3.070 25.099 ( 2.727 -0.772 1.673) 3.291 25.359 ( -2.795 -3.437 6.269) 7.676 25.435 ( -3.484 -6.819 3.537) 8.435 26.412 ( 0.644 10.837 -6.269) 12.536 26.430 ( 0.533 9.947 -5.339) 11.302 26.523 ( 0.362 4.768 -5.602) 7.365 26.583 ( -0.939 2.873 -10.778) 11.193 28.957 ( 0.497 7.500 8.736) 11.525 29.011 ( -0.600 10.575 6.208) 12.278 29.366 ( 2.002 -11.246 11.771) 16.402 29.574 ( -3.107 -15.865 2.084) 16.300 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( -1.710 8.769 8.307) 12.200 3.777 ( -3.053 9.008 5.993) 11.242 4.089 ( -1.881 -5.435 1.380) 5.915 4.111 ( -3.667 -5.446 0.806) 6.615 4.373 ( 8.252 12.600 20.195) 25.194 4.578 ( -13.391 9.491 15.464) 22.551 4.951 ( 4.554 -14.370 7.206) 16.708 5.021 ( -3.855 -11.536 4.772) 13.065 5.213 ( 12.091 8.221 1.224) 14.673 5.383 ( -0.580 8.037 1.083) 8.130 5.467 ( 3.635 0.450 -6.507) 7.467 5.629 ( -4.308 9.054 -5.579) 11.475 5.766 ( 4.517 -1.779 -1.867) 5.202 5.893 ( -5.293 4.121 -8.578) 10.890 6.018 ( 6.448 11.191 -8.419) 15.418 6.156 ( -7.085 2.094 -13.073) 15.016 6.242 ( 4.624 6.009 -12.720) 14.809 6.395 ( -10.440 9.893 -9.378) 17.170 6.762 ( 10.673 -4.018 6.555) 13.154 6.894 ( -3.280 0.066 1.486) 3.602 7.106 ( 2.209 5.222 -1.453) 5.853 7.143 ( -2.078 3.420 1.358) 4.226 7.343 ( 1.025 -2.263 -1.603) 2.956 7.386 ( -3.020 -4.258 -4.909) 7.166 7.641 ( 8.498 7.633 -2.627) 11.721 7.790 ( -6.025 10.744 -5.529) 13.502 7.897 ( 4.459 -0.440 0.535) 4.513 7.963 ( -1.830 4.151 0.175) 4.540 8.166 ( 9.219 2.947 10.997) 14.650 8.308 ( -5.593 0.691 11.402) 12.719 8.500 ( 1.334 -0.826 -1.620) 2.255 8.512 ( 1.211 3.159 -1.720) 3.795 8.576 ( 1.292 -12.915 -3.154) 13.357 8.678 ( -6.400 -5.142 -6.903) 10.726 8.828 ( 9.912 -12.202 -4.230) 16.280 9.049 ( -12.423 -9.463 -7.670) 17.398 9.582 ( 3.432 6.788 -0.513) 7.624 9.635 ( -0.069 2.859 0.515) 2.906 9.660 ( -1.557 2.886 -0.691) 3.351 9.695 ( -2.970 1.181 -0.382) 3.219 9.894 ( 1.367 -1.413 -1.610) 2.541 9.921 ( -1.488 -0.040 -2.192) 2.650 10.140 ( 3.870 -10.383 -5.884) 12.547 10.197 ( -2.481 -12.388 -8.361) 15.150 11.962 ( 1.654 1.881 1.125) 2.746 11.989 ( -1.210 1.953 -0.324) 2.320 12.104 ( 0.783 -5.536 -0.778) 5.645 12.117 ( -0.566 -5.541 -1.592) 5.793 13.021 ( 1.779 3.054 5.322) 6.388 13.048 ( -0.630 3.256 4.543) 5.625 13.192 ( -1.767 -1.624 5.951) 6.417 13.211 ( -3.250 -1.444 5.688) 6.709 13.872 ( 6.811 5.552 4.101) 9.696 13.887 ( 7.183 6.937 3.825) 10.693 14.120 ( -3.945 1.046 3.849) 5.610 14.194 ( -9.932 -0.103 1.032) 9.986 14.643 ( 4.124 4.491 0.412) 6.112 14.711 ( -2.821 4.165 -1.594) 5.277 14.796 ( 2.504 -3.227 2.699) 4.895 14.838 ( -1.795 -2.882 1.679) 3.788 15.491 ( 0.753 3.346 -6.116) 7.012 15.502 ( -0.411 3.113 -6.096) 6.857 15.758 ( 1.038 -9.220 -7.537) 11.954 15.778 ( -1.124 -10.048 -8.854) 13.439 16.761 ( 2.082 3.518 -2.173) 4.629 16.783 ( 0.056 3.467 -3.192) 4.713 16.964 ( 1.446 -6.824 0.579) 6.999 17.012 ( -3.322 -8.274 -1.361) 9.019 24.193 ( 2.866 0.785 0.981) 3.129 24.202 ( 3.311 0.407 0.692) 3.407 24.245 ( -1.550 0.745 1.478) 2.268 24.271 ( -2.871 -0.475 0.503) 2.953 25.127 ( 3.018 0.572 3.305) 4.512 25.150 ( 1.595 0.427 2.762) 3.218 25.312 ( -1.006 -5.804 3.661) 6.936 25.355 ( -4.627 -7.016 2.386) 8.737 26.427 ( 0.804 10.257 -5.995) 11.907 26.435 ( -0.039 9.878 -5.547) 11.329 26.536 ( 1.063 4.657 -6.727) 8.250 26.560 ( -1.452 3.912 -8.737) 9.682 28.972 ( 1.106 8.567 8.233) 11.933 28.994 ( -1.208 9.754 7.209) 12.189 29.421 ( 3.950 -12.806 8.651) 15.951 29.501 ( -4.593 -14.496 4.955) 15.993 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.008 ( 0.000 -1.771 10.507) 10.656 4.008 ( 0.000 1.771 10.507) 10.656 4.271 ( 0.000 -3.758 0.769) 3.836 4.271 ( 0.000 3.758 0.769) 3.836 4.389 ( 0.000 -6.636 12.274) 13.953 4.389 ( 0.000 6.636 12.274) 13.953 5.009 ( 0.000 -8.800 9.194) 12.726 5.009 ( 0.000 8.800 9.194) 12.726 5.214 ( 0.000 -10.088 -4.512) 11.051 5.214 ( 0.000 10.088 -4.512) 11.051 5.506 ( 0.000 -4.552 -1.519) 4.799 5.506 ( 0.000 4.552 -1.519) 4.799 5.875 ( 0.000 -7.994 -4.556) 9.201 5.875 ( 0.000 7.994 -4.556) 9.201 6.177 ( 0.000 -4.061 -14.419) 14.980 6.177 ( 0.000 4.061 -14.419) 14.980 6.340 ( 0.000 -0.342 6.885) 6.894 6.340 ( 0.000 0.342 6.885) 6.894 6.888 ( 0.000 -11.066 -8.957) 14.237 6.888 ( 0.000 11.066 -8.957) 14.237 7.187 ( 0.000 -7.075 -7.856) 10.573 7.187 ( 0.000 7.075 -7.856) 10.573 7.337 ( 0.000 -4.698 -5.559) 7.278 7.337 ( 0.000 4.698 -5.559) 7.278 7.546 ( 0.000 -3.990 -1.231) 4.175 7.546 ( 0.000 3.990 -1.231) 4.175 7.923 ( 0.000 -4.653 4.628) 6.563 7.923 ( 0.000 4.653 4.628) 6.563 8.210 ( 0.000 -4.094 6.992) 8.102 8.210 ( 0.000 4.094 6.992) 8.102 8.411 ( 0.000 -1.093 0.630) 1.261 8.411 ( 0.000 1.093 0.630) 1.261 8.672 ( 0.000 -7.008 2.978) 7.614 8.672 ( 0.000 7.008 2.978) 7.614 9.025 ( 0.000 -21.270 -7.971) 22.715 9.025 ( 0.000 21.270 -7.971) 22.715 9.692 ( 0.000 -8.919 -8.210) 12.123 9.692 ( 0.000 8.919 -8.210) 12.123 9.713 ( 0.000 -6.215 3.833) 7.302 9.713 ( 0.000 6.215 3.833) 7.302 9.888 ( 0.000 -4.695 -3.791) 6.034 9.888 ( 0.000 4.695 -3.791) 6.034 9.998 ( 0.000 -6.173 -4.082) 7.400 9.998 ( 0.000 6.173 -4.082) 7.400 11.987 ( 0.000 -4.252 0.512) 4.283 11.987 ( 0.000 4.252 0.512) 4.283 12.049 ( 0.000 -2.370 -2.803) 3.670 12.049 ( 0.000 2.370 -2.803) 3.670 13.056 ( 0.000 -1.885 7.285) 7.525 13.056 ( 0.000 1.885 7.285) 7.525 13.303 ( 0.000 -0.851 6.521) 6.576 13.303 ( 0.000 0.851 6.521) 6.576 13.719 ( 0.000 -0.429 3.482) 3.508 13.719 ( 0.000 0.429 3.482) 3.508 14.387 ( 0.000 -5.042 7.089) 8.699 14.387 ( 0.000 5.042 7.089) 8.699 14.633 ( 0.000 -1.213 -1.453) 1.893 14.633 ( 0.000 1.213 -1.453) 1.893 14.815 ( 0.000 -1.823 -0.866) 2.018 14.815 ( 0.000 1.823 -0.866) 2.018 15.543 ( 0.000 -1.316 -9.767) 9.855 15.543 ( 0.000 1.316 -9.767) 9.855 15.644 ( 0.000 -1.733 -5.535) 5.800 15.644 ( 0.000 1.733 -5.535) 5.800 16.757 ( 0.000 -1.051 -1.762) 2.051 16.757 ( 0.000 1.051 -1.762) 2.051 16.954 ( 0.000 -3.355 -2.231) 4.029 16.954 ( 0.000 3.355 -2.231) 4.029 24.118 ( 0.000 -0.043 0.814) 0.815 24.118 ( 0.000 0.043 0.814) 0.815 24.305 ( 0.000 -1.204 0.455) 1.287 24.305 ( 0.000 1.204 0.455) 1.287 25.064 ( 0.000 -0.346 1.595) 1.632 25.064 ( 0.000 0.346 1.595) 1.632 25.376 ( 0.000 -2.159 6.209) 6.574 25.376 ( 0.000 2.159 6.209) 6.574 26.541 ( 0.000 -1.229 -4.640) 4.800 26.541 ( 0.000 1.229 -4.640) 4.800 26.573 ( 0.000 -3.710 -10.121) 10.779 26.573 ( 0.000 3.710 -10.121) 10.779 29.114 ( 0.000 -8.106 10.071) 12.927 29.114 ( 0.000 8.106 10.071) 12.927 29.300 ( 0.000 -12.995 4.841) 13.868 29.300 ( 0.000 12.995 4.841) 13.868 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -4.664 -1.385 7.558) 8.988 3.954 ( -4.664 1.385 7.558) 8.988 4.132 ( -7.934 -2.988 3.198) 9.061 4.132 ( -7.934 2.988 3.198) 9.061 4.537 ( 7.732 -14.085 12.769) 20.524 4.537 ( 7.732 14.085 12.769) 20.524 4.962 ( -8.269 -7.379 9.140) 14.366 4.962 ( -8.269 7.379 9.140) 14.366 5.170 ( 3.772 -8.475 -3.200) 9.813 5.170 ( 3.772 8.475 -3.200) 9.813 5.613 ( 6.899 -5.254 -2.479) 9.020 5.613 ( 6.899 5.254 -2.479) 9.020 5.869 ( -1.608 -7.298 -4.390) 8.667 5.869 ( -1.608 7.298 -4.390) 8.667 6.130 ( -3.134 -3.837 -16.469) 17.198 6.130 ( -3.134 3.837 -16.469) 17.198 6.413 ( 6.894 -7.866 6.783) 12.466 6.413 ( 6.894 7.866 6.783) 12.466 6.839 ( -4.931 -12.934 -5.667) 14.958 6.839 ( -4.931 12.934 -5.667) 14.958 7.204 ( 1.337 -6.579 -6.347) 9.239 7.204 ( 1.337 6.579 -6.347) 9.239 7.298 ( -3.025 -3.942 -6.360) 8.071 7.298 ( -3.025 3.942 -6.360) 8.071 7.635 ( 8.430 -5.927 -0.361) 10.312 7.635 ( 8.430 5.927 -0.361) 10.312 7.974 ( 3.623 -3.135 3.263) 5.796 7.974 ( 3.623 3.135 3.263) 5.796 8.235 ( 3.261 -8.719 4.642) 10.402 8.235 ( 3.261 8.719 4.642) 10.402 8.407 ( -0.324 -4.847 0.007) 4.857 8.407 ( -0.324 4.847 0.007) 4.857 8.620 ( -4.319 -3.996 3.101) 6.652 8.620 ( -4.319 3.996 3.101) 6.652 8.970 ( -6.161 -18.640 -7.703) 21.089 8.970 ( -6.161 18.640 -7.703) 21.089 9.683 ( -0.533 -6.074 -6.397) 8.838 9.683 ( -0.533 6.074 -6.397) 8.838 9.711 ( -0.423 -5.180 2.840) 5.923 9.711 ( -0.423 5.180 2.840) 5.923 9.910 ( 2.121 -6.262 -4.107) 7.783 9.910 ( 2.121 6.262 -4.107) 7.783 9.994 ( -0.468 -6.465 -3.914) 7.571 9.994 ( -0.468 6.465 -3.914) 7.571 11.995 ( 0.775 -4.053 0.389) 4.145 11.995 ( 0.775 4.053 0.389) 4.145 12.046 ( -0.353 -2.532 -2.332) 3.460 12.046 ( -0.353 2.532 -2.332) 3.460 13.054 ( 0.305 -1.899 6.656) 6.929 13.054 ( 0.305 1.899 6.656) 6.929 13.260 ( -4.323 -1.013 6.146) 7.582 13.260 ( -4.323 1.013 6.146) 7.582 13.791 ( 7.411 -0.372 3.743) 8.311 13.791 ( 7.411 0.372 3.743) 8.311 14.312 ( -7.278 -4.574 5.702) 10.315 14.312 ( -7.278 4.574 5.702) 10.315 14.671 ( 3.347 -3.815 -0.164) 5.078 14.671 ( 3.347 3.815 -0.164) 5.078 14.806 ( -1.029 -2.212 -0.525) 2.496 14.806 ( -1.029 2.212 -0.525) 2.496 15.554 ( 1.190 -1.057 -9.417) 9.551 15.554 ( 1.190 1.057 -9.417) 9.551 15.636 ( -0.879 -1.413 -6.002) 6.229 15.636 ( -0.879 1.413 -6.002) 6.229 16.778 ( 2.146 -1.495 -1.695) 3.116 16.778 ( 2.146 1.495 -1.695) 3.116 16.936 ( -1.886 -3.215 -2.082) 4.269 16.936 ( -1.886 3.215 -2.082) 4.269 24.144 ( 2.695 -0.052 0.868) 2.832 24.144 ( 2.695 0.053 0.868) 2.832 24.294 ( -1.218 -1.071 0.553) 1.713 24.294 ( -1.218 1.071 0.553) 1.713 25.088 ( 2.633 -0.719 1.788) 3.263 25.088 ( 2.633 0.719 1.788) 3.263 25.342 ( -3.625 -2.101 5.500) 6.914 25.342 ( -3.625 2.101 5.500) 6.914 26.545 ( 0.457 -1.462 -5.160) 5.383 26.545 ( 0.457 1.462 -5.160) 5.383 26.573 ( -0.078 -3.356 -9.300) 9.887 26.573 ( -0.078 3.356 -9.300) 9.887 29.129 ( 1.596 -8.617 9.594) 12.994 29.129 ( 1.596 8.617 9.594) 12.994 29.279 ( -2.182 -12.547 5.365) 13.819 29.279 ( -2.182 12.547 5.365) 13.819 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.912 ( 1.229 -2.093 4.085) 4.752 3.912 ( 1.229 2.093 4.085) 4.752 3.996 ( -7.072 -2.405 3.130) 8.099 3.996 ( -7.072 2.405 3.130) 8.099 4.647 ( 5.948 -15.260 13.393) 21.158 4.647 ( 5.948 15.260 13.393) 21.158 4.783 ( -9.272 -11.563 10.649) 18.251 4.783 ( -9.272 11.563 10.649) 18.251 5.351 ( 13.247 -5.896 -1.328) 14.560 5.351 ( 13.247 5.896 -1.328) 14.560 5.581 ( -10.419 -6.847 0.615) 12.482 5.581 ( -10.419 6.847 0.615) 12.482 5.921 ( 7.952 -7.854 -11.765) 16.227 5.921 ( 7.952 7.854 -11.765) 16.227 6.058 ( -5.858 -4.953 -14.078) 16.032 6.058 ( -5.858 4.953 -14.078) 16.032 6.565 ( 9.223 -15.832 4.198) 18.797 6.565 ( 9.223 15.832 4.198) 18.797 6.722 ( -7.782 -16.255 -0.320) 18.024 6.722 ( -7.782 16.255 -0.320) 18.024 7.226 ( 1.161 -4.553 -4.586) 6.566 7.226 ( 1.161 4.553 -4.586) 6.566 7.253 ( -1.919 -3.815 -5.835) 7.231 7.253 ( -1.919 3.815 -5.835) 7.231 7.813 ( 10.385 -6.802 0.391) 12.421 7.813 ( 10.385 6.802 0.391) 12.421 7.967 ( -5.233 -4.418 1.868) 7.099 7.967 ( -5.233 4.418 1.868) 7.099 8.315 ( 4.261 -11.562 2.251) 12.527 8.315 ( 4.261 11.562 2.251) 12.527 8.383 ( -3.103 -7.786 0.808) 8.420 8.383 ( -3.103 7.786 0.808) 8.420 8.621 ( 6.904 -8.400 -1.049) 10.924 8.621 ( 6.904 8.400 -1.049) 10.924 8.808 ( -11.136 -13.763 -6.216) 18.763 8.808 ( -11.136 13.763 -6.216) 18.763 9.682 ( 0.458 -1.614 -3.067) 3.497 9.682 ( 0.458 1.614 -3.067) 3.497 9.697 ( -0.980 -2.685 0.326) 2.877 9.697 ( -0.980 2.685 0.326) 2.877 9.950 ( 2.081 -7.415 -3.993) 8.675 9.950 ( 2.081 7.415 -3.993) 8.675 9.980 ( -1.142 -7.188 -3.772) 8.198 9.980 ( -1.142 7.188 -3.772) 8.198 12.013 ( 1.206 -3.520 -0.141) 3.724 12.013 ( 1.206 3.520 -0.141) 3.724 12.034 ( -0.965 -2.934 -1.199) 3.313 12.034 ( -0.965 2.934 -1.199) 3.313 13.084 ( 3.205 -1.768 5.704) 6.778 13.084 ( 3.205 1.768 5.704) 6.778 13.166 ( -5.464 -1.403 5.555) 7.918 13.166 ( -5.464 1.403 5.555) 7.918 13.959 ( 10.523 -1.403 4.151) 11.399 13.959 ( 10.523 1.403 4.151) 11.399 14.150 ( -10.175 -3.038 4.632) 11.585 14.150 ( -10.175 3.038 4.632) 11.585 14.731 ( 3.041 -3.961 0.505) 5.019 14.731 ( 3.041 3.961 0.505) 5.019 14.778 ( -2.068 -3.075 0.157) 3.709 14.778 ( -2.068 3.075 0.157) 3.709 15.582 ( 1.766 -0.447 -8.451) 8.645 15.582 ( 1.766 0.447 -8.451) 8.645 15.614 ( -1.580 -0.658 -7.151) 7.353 15.614 ( -1.580 0.658 -7.151) 7.353 16.829 ( 3.323 -2.219 -1.640) 4.319 16.829 ( 3.323 2.219 -1.640) 4.319 16.890 ( -3.161 -2.819 -1.793) 4.599 16.890 ( -3.161 2.819 -1.793) 4.599 24.203 ( 3.484 -0.268 0.909) 3.611 24.203 ( 3.484 0.268 0.909) 3.611 24.260 ( -2.569 -0.702 0.772) 2.773 24.260 ( -2.569 0.702 0.772) 2.773 25.157 ( 4.918 -1.318 2.521) 5.681 25.157 ( 4.918 1.318 2.521) 5.681 25.255 ( -5.536 -1.835 3.927) 7.031 25.255 ( -5.536 1.835 3.927) 7.031 26.557 ( 0.713 -1.793 -6.270) 6.560 26.557 ( 0.713 1.793 -6.270) 6.560 26.568 ( -0.476 -2.514 -7.709) 8.123 26.568 ( -0.476 2.514 -7.709) 8.123 29.170 ( 2.891 -9.887 8.324) 13.244 29.170 ( 2.891 9.887 8.324) 13.244 29.227 ( -3.253 -11.372 6.710) 13.599 29.227 ( -3.253 11.372 6.710) 13.599 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.100 ( 0.000 0.000 -23.691) 23.691 4.100 ( 0.000 0.000 23.691) 23.691 4.252 ( 0.000 0.000 -13.998) 13.998 4.252 ( 0.000 0.000 13.998) 13.998 4.315 ( 0.000 0.000 -30.725) 30.725 4.315 ( 0.000 0.000 30.725) 30.725 4.488 ( 0.000 0.000 -3.249) 3.249 4.488 ( 0.000 0.000 3.249) 3.249 4.679 ( 0.000 0.000 -7.139) 7.139 4.679 ( 0.000 0.000 7.139) 7.139 4.748 ( 0.000 0.000 -1.246) 1.246 4.748 ( 0.000 0.000 1.246) 1.246 5.714 ( 0.000 0.000 -5.503) 5.503 5.714 ( 0.000 0.000 5.503) 5.503 6.197 ( 0.000 0.000 -6.941) 6.941 6.197 ( 0.000 0.000 6.941) 6.941 6.440 ( 0.000 0.000 -2.164) 2.164 6.440 ( 0.000 0.000 2.164) 2.164 6.563 ( 0.000 0.000 -7.112) 7.112 6.563 ( 0.000 0.000 7.112) 7.112 7.073 ( 0.000 0.000 -14.438) 14.438 7.073 ( 0.000 0.000 14.438) 14.438 7.253 ( 0.000 0.000 -4.279) 4.279 7.253 ( 0.000 0.000 4.279) 4.279 7.397 ( 0.000 0.000 -1.334) 1.334 7.397 ( 0.000 0.000 1.334) 1.334 8.010 ( 0.000 0.000 -0.394) 0.394 8.010 ( 0.000 0.000 0.394) 0.394 8.571 ( 0.000 0.000 -3.739) 3.739 8.571 ( 0.000 0.000 3.739) 3.739 8.608 ( 0.000 0.000 -6.235) 6.235 8.608 ( 0.000 0.000 6.235) 6.235 8.691 ( 0.000 0.000 -22.390) 22.390 8.691 ( 0.000 0.000 22.390) 22.390 9.066 ( 0.000 0.000 -0.802) 0.802 9.066 ( 0.000 0.000 0.802) 0.802 9.185 ( 0.000 0.000 -0.103) 0.103 9.185 ( 0.000 0.000 0.103) 0.103 10.035 ( 0.000 0.000 -0.492) 0.492 10.035 ( 0.000 0.000 0.492) 0.492 10.097 ( 0.000 0.000 -1.982) 1.982 10.097 ( 0.000 0.000 1.982) 1.982 10.217 ( 0.000 0.000 -13.585) 13.585 10.217 ( 0.000 0.000 13.585) 13.585 11.918 ( 0.000 0.000 -0.952) 0.952 11.918 ( 0.000 0.000 0.952) 0.952 12.401 ( 0.000 0.000 -3.799) 3.799 12.401 ( 0.000 0.000 3.799) 3.799 13.013 ( 0.000 0.000 -0.378) 0.378 13.013 ( 0.000 0.000 0.378) 0.378 13.140 ( 0.000 0.000 -0.739) 0.739 13.140 ( 0.000 0.000 0.739) 0.739 13.544 ( 0.000 0.000 -6.481) 6.481 13.544 ( 0.000 0.000 6.481) 6.481 14.219 ( 0.000 0.000 -6.776) 6.776 14.219 ( 0.000 0.000 6.776) 6.776 14.533 ( 0.000 0.000 -4.031) 4.031 14.533 ( 0.000 0.000 4.031) 4.031 14.966 ( 0.000 0.000 -1.013) 1.013 14.966 ( 0.000 0.000 1.013) 1.013 15.390 ( 0.000 0.000 -0.722) 0.722 15.390 ( 0.000 0.000 0.722) 0.722 16.153 ( 0.000 0.000 -1.031) 1.031 16.153 ( 0.000 0.000 1.031) 1.031 16.466 ( 0.000 0.000 -1.430) 1.430 16.466 ( 0.000 0.000 1.430) 1.430 17.501 ( 0.000 0.000 -10.597) 10.597 17.501 ( 0.000 0.000 10.597) 10.597 24.108 ( 0.000 0.000 -0.085) 0.085 24.108 ( 0.000 0.000 0.085) 0.085 24.325 ( 0.000 0.000 -3.188) 3.188 24.325 ( 0.000 0.000 3.188) 3.188 25.209 ( 0.000 0.000 -1.750) 1.750 25.209 ( 0.000 0.000 1.750) 1.750 25.738 ( 0.000 0.000 -2.622) 2.622 25.738 ( 0.000 0.000 2.622) 2.622 25.794 ( 0.000 0.000 -14.319) 14.319 25.794 ( 0.000 0.000 14.319) 14.319 26.078 ( 0.000 0.000 -2.888) 2.888 26.078 ( 0.000 0.000 2.888) 2.888 28.815 ( 0.000 0.000 -1.819) 1.819 28.815 ( 0.000 0.000 1.819) 1.819 30.041 ( 0.000 0.000 -11.786) 11.786 30.041 ( 0.000 0.000 11.786) 11.786 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.881 ( -16.721 0.000 -10.486) 19.737 3.881 ( -16.721 0.000 10.486) 19.737 4.262 ( 0.911 0.000 -22.366) 22.385 4.262 ( 0.911 0.000 22.366) 22.385 4.351 ( 4.650 0.000 -17.499) 18.106 4.351 ( 4.650 0.000 17.499) 18.106 4.490 ( 0.215 0.000 -23.739) 23.740 4.490 ( 0.215 0.000 23.739) 23.740 4.743 ( -0.459 0.000 -1.569) 1.635 4.743 ( -0.459 0.000 1.569) 1.635 4.923 ( 17.896 0.000 -5.244) 18.648 4.923 ( 17.896 0.000 5.244) 18.648 5.725 ( 1.097 0.000 -8.844) 8.911 5.725 ( 1.097 0.000 8.844) 8.911 6.200 ( 0.658 0.000 -5.302) 5.343 6.200 ( 0.658 0.000 5.302) 5.343 6.442 ( 0.240 0.000 -4.196) 4.203 6.442 ( 0.240 0.000 4.196) 4.203 6.577 ( 1.865 0.000 -7.677) 7.900 6.577 ( 1.865 0.000 7.677) 7.900 7.028 ( -4.295 0.000 -14.055) 14.697 7.028 ( -4.295 0.000 14.055) 14.697 7.226 ( -2.616 0.000 -3.691) 4.525 7.226 ( -2.616 0.000 3.691) 4.525 7.269 ( -12.751 0.000 -3.457) 13.211 7.269 ( -12.751 0.000 3.457) 13.211 8.009 ( -0.087 0.000 -0.438) 0.447 8.009 ( -0.087 0.000 0.438) 0.447 8.514 ( -1.566 0.000 -11.164) 11.273 8.514 ( -1.566 0.000 11.164) 11.273 8.598 ( -0.954 0.000 -4.806) 4.900 8.598 ( -0.954 0.000 4.806) 4.900 8.876 ( 13.809 0.000 -19.385) 23.801 8.876 ( 13.809 0.000 19.385) 23.801 9.093 ( 2.506 0.000 -0.494) 2.554 9.093 ( 2.506 0.000 0.494) 2.554 9.202 ( 1.537 0.000 -7.533) 7.688 9.202 ( 1.537 0.000 7.533) 7.688 10.013 ( -2.199 0.000 -0.682) 2.302 10.013 ( -2.199 0.000 0.682) 2.302 10.092 ( -0.479 0.000 -1.642) 1.710 10.092 ( -0.479 0.000 1.642) 1.710 10.183 ( -3.420 0.000 -11.950) 12.429 10.183 ( -3.420 0.000 11.950) 12.429 11.918 ( -0.029 0.000 -0.770) 0.771 11.918 ( -0.029 0.000 0.770) 0.771 12.393 ( -0.781 0.000 -2.902) 3.005 12.393 ( -0.781 0.000 2.902) 3.005 13.020 ( 0.763 0.000 -0.367) 0.846 13.020 ( 0.763 0.000 0.367) 0.846 13.132 ( -0.832 0.000 -0.657) 1.060 13.132 ( -0.832 0.000 0.657) 1.060 13.610 ( 6.880 0.000 -6.600) 9.534 13.610 ( 6.880 0.000 6.600) 9.534 14.183 ( -4.126 0.000 -6.717) 7.883 14.183 ( -4.126 0.000 6.717) 7.883 14.501 ( -2.895 0.000 -3.419) 4.480 14.501 ( -2.895 0.000 3.419) 4.480 14.966 ( 0.026 0.000 -0.819) 0.819 14.966 ( 0.026 0.000 0.819) 0.819 15.385 ( -0.520 0.000 -0.619) 0.808 15.385 ( -0.520 0.000 0.619) 0.808 16.153 ( 0.025 0.000 -0.834) 0.834 16.153 ( 0.025 0.000 0.834) 0.834 16.496 ( 2.885 0.000 -1.607) 3.302 16.496 ( 2.885 0.000 1.607) 3.302 17.481 ( -1.951 0.000 -8.720) 8.936 17.481 ( -1.951 0.000 8.720) 8.936 24.131 ( 2.320 0.000 -0.245) 2.333 24.131 ( 2.320 0.000 0.245) 2.333 24.312 ( -1.448 0.000 -2.826) 3.176 24.312 ( -1.448 0.000 2.826) 3.176 25.243 ( 3.574 0.000 -2.643) 4.446 25.243 ( 3.574 0.000 2.643) 4.446 25.738 ( -0.022 0.000 -2.119) 2.119 25.738 ( -0.022 0.000 2.119) 2.119 25.758 ( -3.691 0.000 -12.665) 13.192 25.758 ( -3.691 0.000 12.665) 13.192 26.078 ( 0.015 0.000 -2.334) 2.334 26.078 ( 0.015 0.000 2.334) 2.334 28.818 ( 0.325 0.000 -1.522) 1.556 28.818 ( 0.325 0.000 1.522) 1.556 30.033 ( -0.766 0.000 -9.560) 9.591 30.033 ( -0.766 0.000 9.560) 9.591 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.649 ( -7.176 0.000 -2.901) 7.740 3.649 ( -7.176 0.000 2.901) 7.740 4.277 ( 0.581 0.000 -13.620) 13.632 4.277 ( 0.581 0.000 13.620) 13.632 4.438 ( 3.436 0.000 -6.201) 7.089 4.438 ( 3.436 0.000 6.201) 7.089 4.494 ( 0.122 0.000 -15.925) 15.926 4.494 ( 0.122 0.000 15.925) 15.926 4.735 ( -0.299 0.000 -0.943) 0.989 4.735 ( -0.299 0.000 0.943) 0.989 5.161 ( 6.867 0.000 -2.550) 7.326 5.161 ( 6.867 0.000 2.550) 7.326 5.745 ( 0.737 0.000 -5.123) 5.176 5.745 ( 0.737 0.000 5.123) 5.176 6.225 ( 1.599 0.000 -2.859) 3.276 6.225 ( 1.599 0.000 2.859) 3.276 6.446 ( 0.149 0.000 -2.645) 2.649 6.446 ( 0.149 0.000 2.645) 2.649 6.647 ( 5.692 0.000 -7.860) 9.705 6.647 ( 5.692 0.000 7.860) 9.705 6.936 ( -6.469 0.000 -12.645) 14.204 6.936 ( -6.469 0.000 12.645) 14.204 7.031 ( -8.828 0.000 -2.238) 9.107 7.031 ( -8.828 0.000 2.238) 9.107 7.181 ( -1.665 0.000 -1.579) 2.294 7.181 ( -1.665 0.000 1.579) 2.294 8.008 ( -0.028 0.000 -0.219) 0.221 8.008 ( -0.028 0.000 0.219) 0.221 8.514 ( 0.530 0.000 -4.423) 4.455 8.514 ( 0.530 0.000 4.423) 4.455 8.583 ( -0.509 0.000 -1.723) 1.797 8.583 ( -0.509 0.000 1.723) 1.797 9.096 ( 8.854 0.000 -16.119) 18.390 9.096 ( 8.854 0.000 16.119) 18.390 9.134 ( 1.452 0.000 -0.169) 1.462 9.134 ( 1.452 0.000 0.169) 1.462 9.216 ( -0.788 0.000 -12.280) 12.305 9.216 ( -0.788 0.000 12.280) 12.305 9.972 ( -1.680 0.000 -0.840) 1.879 9.972 ( -1.680 0.000 0.840) 1.879 10.084 ( -0.311 0.000 -0.652) 0.722 10.084 ( -0.311 0.000 0.652) 0.722 10.122 ( -2.384 0.000 -5.318) 5.828 10.122 ( -2.384 0.000 5.318) 5.828 11.917 ( -0.018 0.000 -0.294) 0.295 11.917 ( -0.018 0.000 0.294) 0.295 12.380 ( -0.462 0.000 -1.013) 1.113 12.380 ( -0.462 0.000 1.013) 1.113 13.035 ( 0.662 0.000 -0.214) 0.696 13.035 ( 0.662 0.000 0.214) 0.696 13.116 ( -0.705 0.000 -0.324) 0.776 13.116 ( -0.705 0.000 0.324) 0.776 13.757 ( 7.453 0.000 -4.889) 8.914 13.757 ( 7.453 0.000 4.889) 8.914 14.077 ( -6.165 0.000 -4.819) 7.825 14.077 ( -6.165 0.000 4.819) 7.825 14.458 ( -1.378 0.000 -1.290) 1.887 14.458 ( -1.378 0.000 1.290) 1.887 14.967 ( 0.016 0.000 -0.313) 0.313 14.967 ( 0.016 0.000 0.313) 0.313 15.376 ( -0.304 0.000 -0.249) 0.393 15.376 ( -0.304 0.000 0.249) 0.393 16.153 ( 0.016 0.000 -0.318) 0.319 16.153 ( 0.016 0.000 0.318) 0.319 16.545 ( 1.835 0.000 -0.854) 2.024 16.545 ( 1.835 0.000 0.854) 2.024 17.447 ( -1.301 0.000 -3.446) 3.684 17.447 ( -1.301 0.000 3.446) 3.684 24.178 ( 2.204 0.000 -0.478) 2.255 24.178 ( 2.204 0.000 0.478) 2.255 24.279 ( -1.676 0.000 -1.507) 2.254 24.279 ( -1.676 0.000 1.507) 2.254 25.315 ( 3.137 0.000 -2.334) 3.910 25.315 ( 3.137 0.000 2.334) 3.910 25.685 ( -3.200 0.000 -6.130) 6.915 25.685 ( -3.200 0.000 6.130) 6.915 25.738 ( -0.013 0.000 -0.808) 0.808 25.738 ( -0.013 0.000 0.808) 0.808 26.078 ( 0.009 0.000 -0.890) 0.890 26.078 ( 0.009 0.000 0.890) 0.890 28.824 ( 0.205 0.000 -0.613) 0.646 28.824 ( 0.205 0.000 0.613) 0.646 30.020 ( -0.477 0.000 -3.668) 3.699 30.020 ( -0.477 0.000 3.668) 3.699 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.089 ( 0.000 -0.178 -21.982) 21.983 4.089 ( 0.000 -0.178 21.982) 21.983 4.235 ( 0.000 -0.310 -4.897) 4.906 4.235 ( 0.000 -0.310 4.897) 4.906 4.409 ( 0.000 7.379 -9.067) 11.690 4.409 ( 0.000 7.379 9.067) 11.690 4.485 ( 0.000 -0.660 -6.025) 6.061 4.485 ( 0.000 -0.660 6.025) 6.061 4.826 ( 0.000 14.787 -2.451) 14.988 4.826 ( 0.000 14.787 2.451) 14.988 4.889 ( 0.000 12.848 -2.057) 13.011 4.889 ( 0.000 12.848 2.057) 13.011 5.739 ( 0.000 2.427 -6.337) 6.786 5.739 ( 0.000 2.427 6.337) 6.786 6.159 ( 0.000 -3.944 -7.660) 8.616 6.159 ( 0.000 -3.944 7.660) 8.616 6.435 ( 0.000 0.152 -2.582) 2.587 6.435 ( 0.000 0.152 2.582) 2.587 6.562 ( 0.000 -0.395 -6.692) 6.704 6.562 ( 0.000 -0.395 6.692) 6.704 7.007 ( 0.000 -4.747 -7.888) 9.207 7.007 ( 0.000 -4.747 7.888) 9.207 7.337 ( 0.000 6.089 -9.244) 11.069 7.337 ( 0.000 6.089 9.244) 11.069 7.425 ( 0.000 2.996 -2.102) 3.660 7.425 ( 0.000 2.996 2.102) 3.660 7.959 ( 0.000 -4.563 -0.662) 4.611 7.959 ( 0.000 -4.563 0.662) 4.611 8.441 ( 0.000 -6.334 -3.617) 7.294 8.441 ( 0.000 -6.334 3.617) 7.294 8.606 ( 0.000 -1.624 -26.352) 26.402 8.606 ( 0.000 -1.624 26.352) 26.402 8.748 ( 0.000 0.471 -3.810) 3.839 8.748 ( 0.000 0.471 3.810) 3.839 9.018 ( 0.000 -1.907 -5.279) 5.613 9.018 ( 0.000 -1.907 5.279) 5.613 9.318 ( 0.000 10.218 -2.974) 10.642 9.318 ( 0.000 10.218 2.974) 10.642 9.970 ( 0.000 -8.045 -0.383) 8.054 9.970 ( 0.000 -8.045 0.383) 8.054 10.022 ( 0.000 -3.471 -1.646) 3.841 10.022 ( 0.000 -3.471 1.646) 3.841 10.247 ( 0.000 0.577 -10.062) 10.078 10.247 ( 0.000 0.577 10.062) 10.078 11.928 ( 0.000 0.849 -0.185) 0.869 11.928 ( 0.000 0.849 0.185) 0.869 12.357 ( 0.000 -4.587 -3.210) 5.599 12.357 ( 0.000 -4.587 3.210) 5.599 13.004 ( 0.000 -0.230 -0.065) 0.239 13.004 ( 0.000 -0.230 0.065) 0.239 13.190 ( 0.000 4.773 -0.169) 4.776 13.190 ( 0.000 4.773 0.169) 4.776 13.570 ( 0.000 2.411 -5.194) 5.726 13.570 ( 0.000 2.411 5.194) 5.726 14.252 ( 0.000 3.149 -6.646) 7.354 14.252 ( 0.000 3.149 6.646) 7.354 14.514 ( 0.000 -1.392 -4.022) 4.256 14.514 ( 0.000 -1.392 4.022) 4.256 14.966 ( 0.000 -0.219 -0.459) 0.508 14.966 ( 0.000 -0.219 0.459) 0.508 15.395 ( 0.000 0.399 -0.746) 0.846 15.395 ( 0.000 0.399 0.746) 0.846 16.064 ( 0.000 -7.813 -1.721) 8.000 16.064 ( 0.000 -7.813 1.721) 8.000 16.522 ( 0.000 4.522 -1.009) 4.633 16.522 ( 0.000 4.522 1.009) 4.633 17.414 ( 0.000 -8.245 -9.227) 12.374 17.414 ( 0.000 -8.245 9.227) 12.374 24.111 ( 0.000 0.254 -0.076) 0.265 24.111 ( 0.000 0.254 0.076) 0.265 24.318 ( 0.000 -0.597 -3.066) 3.124 24.318 ( 0.000 -0.597 3.066) 3.124 25.174 ( 0.000 -2.928 -1.077) 3.120 25.174 ( 0.000 -2.928 1.077) 3.120 25.714 ( 0.000 -4.985 -7.157) 8.722 25.714 ( 0.000 -4.985 7.157) 8.722 25.864 ( 0.000 10.005 -0.879) 10.044 25.864 ( 0.000 10.005 0.879) 10.044 26.175 ( 0.000 8.149 -0.154) 8.150 26.175 ( 0.000 8.149 0.154) 8.150 28.839 ( 0.000 2.477 -1.392) 2.842 28.839 ( 0.000 2.477 1.392) 2.842 29.974 ( 0.000 -6.626 -10.960) 12.807 29.974 ( 0.000 -6.626 10.960) 12.807 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.883 ( -15.785 0.642 -8.922) 18.143 3.883 ( -15.785 0.642 8.922) 18.143 4.235 ( 0.521 -1.651 -4.658) 4.970 4.235 ( 0.521 -1.651 4.658) 4.970 4.417 ( 4.040 5.116 -12.279) 13.902 4.417 ( 4.040 5.116 12.279) 13.902 4.622 ( 4.898 11.079 -11.353) 16.602 4.622 ( 4.898 11.079 11.353) 16.602 4.864 ( 0.443 11.588 -2.346) 11.832 4.864 ( 0.443 11.588 2.346) 11.832 4.984 ( 12.706 7.264 -4.393) 15.281 4.984 ( 12.706 7.264 4.393) 15.281 5.725 ( -1.329 -0.027 -9.338) 9.432 5.725 ( -1.329 -0.027 9.338) 9.432 6.157 ( -0.378 -4.599 -6.587) 8.043 6.157 ( -0.378 -4.599 6.587) 8.043 6.382 ( -4.817 -4.394 -3.717) 7.505 6.382 ( -4.817 -4.394 3.717) 7.505 6.596 ( 3.848 1.612 -6.464) 7.694 6.596 ( 3.848 1.612 6.464) 7.694 7.025 ( 1.627 -0.717 -6.661) 6.895 7.025 ( 1.627 -0.717 6.661) 6.895 7.268 ( -7.754 6.097 -9.936) 14.001 7.268 ( -7.754 6.097 9.936) 14.001 7.360 ( -5.707 6.327 -4.168) 9.486 7.360 ( -5.707 6.327 4.168) 9.486 7.960 ( 0.100 -4.262 -0.578) 4.303 7.960 ( 0.100 -4.262 0.578) 4.303 8.465 ( 2.470 -4.266 -3.275) 5.918 8.465 ( 2.470 -4.266 3.275) 5.918 8.573 ( -2.016 -1.515 -12.918) 13.162 8.573 ( -2.016 -1.515 12.918) 13.162 8.849 ( 8.550 -3.860 -11.817) 15.088 8.849 ( 8.550 -3.860 11.817) 15.088 9.052 ( 3.174 -1.989 -5.659) 6.786 9.052 ( 3.174 -1.989 5.659) 6.786 9.323 ( 0.411 9.298 -4.362) 10.278 9.323 ( 0.411 9.298 4.362) 10.278 9.935 ( -3.079 -9.053 -2.161) 9.803 9.935 ( -3.079 -9.053 2.161) 9.803 10.004 ( -2.160 -3.111 -2.889) 4.764 10.004 ( -2.160 -3.111 2.889) 4.764 10.245 ( -0.122 1.967 -7.231) 7.495 10.245 ( -0.122 1.967 7.231) 7.495 11.929 ( 0.133 1.001 -0.200) 1.029 11.929 ( 0.133 1.001 0.200) 1.029 12.350 ( -0.711 -4.471 -2.497) 5.171 12.350 ( -0.711 -4.471 2.497) 5.171 13.010 ( 0.662 -0.433 -0.190) 0.814 13.010 ( 0.662 -0.433 0.190) 0.814 13.178 ( -1.141 4.440 -0.186) 4.588 13.178 ( -1.141 4.440 0.186) 4.588 13.633 ( 6.550 2.181 -5.183) 8.632 13.633 ( 6.550 2.181 5.183) 8.632 14.206 ( -5.133 2.064 -6.223) 8.327 14.206 ( -5.133 2.064 6.223) 8.327 14.500 ( -1.244 0.333 -3.434) 3.667 14.500 ( -1.244 0.333 3.434) 3.667 14.966 ( -0.087 -0.337 -0.355) 0.497 14.966 ( -0.087 -0.337 0.355) 0.497 15.391 ( -0.388 0.537 -0.616) 0.904 15.391 ( -0.388 0.537 0.616) 0.904 16.065 ( 0.165 -7.800 -1.344) 7.917 16.065 ( 0.165 -7.800 1.344) 7.917 16.547 ( 2.449 4.202 -1.340) 5.045 16.547 ( 2.449 4.202 1.340) 5.045 17.396 ( -1.810 -8.098 -7.614) 11.262 17.396 ( -1.810 -8.098 7.614) 11.262 24.134 ( 2.347 0.288 -0.212) 2.374 24.134 ( 2.347 0.288 0.212) 2.374 24.306 ( -1.306 -0.475 -2.712) 3.047 24.306 ( -1.306 -0.475 2.712) 3.047 25.205 ( 3.163 -3.260 -1.769) 4.875 25.205 ( 3.163 -3.260 1.769) 4.875 25.675 ( -3.829 -5.016 -6.762) 9.249 25.675 ( -3.829 -5.016 6.762) 9.249 25.873 ( 0.760 10.360 -1.886) 10.558 25.873 ( 0.760 10.360 1.886) 10.558 26.171 ( -0.372 8.012 -0.153) 8.022 26.171 ( -0.372 8.012 0.153) 8.022 28.842 ( 0.271 2.423 -1.185) 2.711 28.842 ( 0.271 2.423 1.185) 2.711 29.967 ( -0.728 -6.588 -8.892) 11.091 29.967 ( -0.728 -6.588 8.892) 11.091 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.664 ( -6.768 1.704 -2.445) 7.395 3.664 ( -6.768 1.704 2.445) 7.395 4.247 ( 0.518 -2.389 -3.833) 4.546 4.247 ( 0.518 -2.389 3.833) 4.546 4.507 ( 4.424 4.113 -12.741) 14.100 4.507 ( 4.424 4.113 12.741) 14.100 4.645 ( -1.060 15.814 -13.382) 20.743 4.645 ( -1.060 15.814 13.382) 20.743 4.868 ( 0.259 12.788 -0.989) 12.828 4.868 ( 0.259 12.788 0.989) 12.828 5.188 ( 6.771 2.802 -1.928) 7.577 5.188 ( 6.771 2.802 1.928) 7.577 5.703 ( -0.861 -3.511 -5.005) 6.174 5.703 ( -0.861 -3.511 5.005) 6.174 6.150 ( -0.060 -7.055 -3.716) 7.974 6.150 ( -0.060 -7.055 3.716) 7.974 6.307 ( -2.603 -9.887 -2.473) 10.518 6.307 ( -2.603 -9.887 2.473) 10.518 6.697 ( 6.235 3.620 -5.628) 9.146 6.697 ( 6.235 3.620 5.628) 9.146 7.011 ( -5.713 4.776 -4.983) 8.960 7.011 ( -5.713 4.776 4.983) 8.960 7.146 ( -0.757 10.983 -5.499) 12.306 7.146 ( -0.757 10.983 5.499) 12.306 7.258 ( -4.895 7.027 -4.472) 9.661 7.258 ( -4.895 7.027 4.472) 9.661 7.961 ( 0.040 -3.973 -0.220) 3.979 7.961 ( 0.040 -3.973 0.220) 3.979 8.513 ( 2.315 -2.490 -3.879) 5.158 8.513 ( 2.315 -2.490 3.879) 5.158 8.545 ( -1.297 -1.114 -6.472) 6.694 8.545 ( -1.297 -1.114 6.472) 6.694 8.987 ( 5.020 -8.519 -8.341) 12.936 8.987 ( 5.020 -8.519 8.341) 12.936 9.107 ( 2.211 -2.540 -5.958) 6.844 9.107 ( 2.211 -2.540 5.958) 6.844 9.324 ( -0.310 7.645 -3.788) 8.538 9.324 ( -0.310 7.645 3.788) 8.538 9.886 ( -1.705 -10.741 -2.242) 11.104 9.886 ( -1.705 -10.741 2.242) 11.104 9.958 ( -2.000 -1.774 -2.163) 3.439 9.958 ( -2.000 -1.774 2.163) 3.439 10.244 ( 0.001 3.918 -2.294) 4.540 10.244 ( 0.001 3.918 2.294) 4.540 11.932 ( 0.092 1.264 -0.101) 1.272 11.932 ( 0.092 1.264 0.101) 1.272 12.338 ( -0.436 -4.321 -0.895) 4.434 12.338 ( -0.436 -4.321 0.895) 4.434 13.023 ( 0.577 -0.706 -0.142) 0.923 13.023 ( 0.577 -0.706 0.142) 0.923 13.158 ( -0.826 3.962 -0.116) 4.049 13.158 ( -0.826 3.962 0.117) 4.049 13.772 ( 7.029 1.462 -3.724) 8.088 13.772 ( 7.029 1.462 3.724) 8.088 14.086 ( -6.439 1.032 -3.942) 7.620 14.086 ( -6.439 1.032 3.942) 7.620 14.482 ( -0.519 2.665 -1.306) 3.013 14.482 ( -0.519 2.665 1.306) 3.013 14.964 ( -0.062 -0.551 -0.127) 0.569 14.964 ( -0.062 -0.551 0.127) 0.569 15.384 ( -0.228 0.749 -0.240) 0.819 15.384 ( -0.228 0.749 0.240) 0.819 16.068 ( 0.089 -7.771 -0.490) 7.786 16.068 ( 0.089 -7.771 0.490) 7.786 16.590 ( 1.596 3.709 -0.771) 4.111 16.590 ( 1.596 3.709 0.771) 4.111 17.364 ( -1.216 -7.862 -3.027) 8.512 17.364 ( -1.216 -7.862 3.027) 8.512 24.181 ( 2.234 0.354 -0.449) 2.306 24.181 ( 2.234 0.354 0.449) 2.306 24.276 ( -1.602 -0.286 -1.450) 2.180 24.276 ( -1.602 -0.286 1.450) 2.180 25.268 ( 2.842 -3.856 -1.606) 5.052 25.268 ( 2.842 -3.856 1.606) 5.052 25.602 ( -3.137 -5.189 -3.575) 7.039 25.602 ( -3.137 -5.189 3.575) 7.039 25.884 ( 0.363 11.173 -0.937) 11.218 25.884 ( 0.363 11.173 0.937) 11.218 26.165 ( -0.231 7.734 -0.130) 7.738 26.165 ( -0.231 7.734 0.130) 7.738 28.846 ( 0.172 2.336 -0.489) 2.392 28.846 ( 0.172 2.336 0.489) 2.392 29.954 ( -0.453 -6.527 -3.413) 7.379 29.954 ( -0.453 -6.527 3.413) 7.379 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.108 ( 0.000 1.849 -18.722) 18.813 4.108 ( 0.000 1.849 18.722) 18.813 4.243 ( 0.000 0.609 -6.159) 6.189 4.243 ( 0.000 0.609 6.159) 6.189 4.464 ( 0.000 0.349 -11.531) 11.536 4.464 ( 0.000 0.349 11.531) 11.536 4.595 ( 0.000 10.458 -2.456) 10.743 4.595 ( 0.000 10.458 2.456) 10.743 5.162 ( 0.000 15.568 -1.791) 15.671 5.162 ( 0.000 15.568 1.791) 15.671 5.196 ( 0.000 16.777 -2.911) 17.028 5.196 ( 0.000 16.777 2.911) 17.028 5.799 ( 0.000 3.301 -9.749) 10.293 5.799 ( 0.000 3.301 9.749) 10.293 6.056 ( 0.000 -5.495 -8.218) 9.886 6.056 ( 0.000 -5.495 8.218) 9.886 6.446 ( 0.000 -0.184 -2.099) 2.107 6.446 ( 0.000 -0.184 2.099) 2.107 6.535 ( 0.000 -1.339 -1.250) 1.832 6.535 ( 0.000 -1.339 1.250) 1.832 6.955 ( 0.000 0.831 -2.547) 2.679 6.955 ( 0.000 0.831 2.547) 2.679 7.429 ( 0.000 2.198 -2.212) 3.119 7.429 ( 0.000 2.198 2.212) 3.119 7.494 ( 0.000 2.882 -1.866) 3.433 7.494 ( 0.000 2.882 1.866) 3.433 7.892 ( 0.000 -0.485 -0.628) 0.794 7.892 ( 0.000 -0.485 0.628) 0.794 8.346 ( 0.000 -3.940 -9.131) 9.945 8.346 ( 0.000 -3.940 9.131) 9.945 8.598 ( 0.000 1.859 -22.131) 22.209 8.598 ( 0.000 1.859 22.131) 22.209 8.678 ( 0.000 -6.139 -1.289) 6.273 8.678 ( 0.000 -6.139 1.289) 6.273 8.984 ( 0.000 -2.910 -10.586) 10.979 8.984 ( 0.000 -2.910 10.586) 10.979 9.525 ( 0.000 9.776 -4.816) 10.898 9.525 ( 0.000 9.776 4.816) 10.898 9.794 ( 0.000 -8.089 -2.125) 8.363 9.794 ( 0.000 -8.089 2.125) 8.363 9.960 ( 0.000 -2.966 -0.054) 2.967 9.960 ( 0.000 -2.966 0.054) 2.967 10.194 ( 0.000 -6.382 -9.258) 11.244 10.194 ( 0.000 -6.382 9.258) 11.244 11.946 ( 0.000 0.920 -1.090) 1.427 11.946 ( 0.000 0.920 1.090) 1.427 12.230 ( 0.000 -7.643 -1.393) 7.768 12.230 ( 0.000 -7.643 1.393) 7.768 13.028 ( 0.000 2.756 -1.309) 3.051 13.028 ( 0.000 2.756 1.309) 3.051 13.300 ( 0.000 5.439 -1.335) 5.600 13.300 ( 0.000 5.439 1.335) 5.600 13.630 ( 0.000 3.600 -2.551) 4.413 13.630 ( 0.000 3.600 2.551) 4.413 14.328 ( 0.000 4.371 -6.617) 7.930 14.328 ( 0.000 4.370 6.617) 7.930 14.505 ( 0.000 0.889 -3.465) 3.577 14.505 ( 0.000 0.889 3.465) 3.577 14.946 ( 0.000 -2.066 -0.307) 2.089 14.946 ( 0.000 -2.066 0.307) 2.089 15.404 ( 0.000 0.482 -1.090) 1.192 15.404 ( 0.000 0.482 1.090) 1.192 15.881 ( 0.000 -10.171 -2.235) 10.414 15.881 ( 0.000 -10.171 2.235) 10.414 16.613 ( 0.000 4.465 -0.734) 4.525 16.613 ( 0.000 4.465 0.734) 4.525 17.214 ( 0.000 -10.986 -6.221) 12.626 17.214 ( 0.000 -10.986 6.221) 12.626 24.117 ( 0.000 0.382 -0.046) 0.384 24.117 ( 0.000 0.382 0.046) 0.384 24.308 ( 0.000 -0.294 -2.425) 2.443 24.308 ( 0.000 -0.294 2.425) 2.443 25.117 ( 0.000 -2.430 -0.396) 2.462 25.117 ( 0.000 -2.430 0.396) 2.462 25.601 ( 0.000 -5.975 -4.481) 7.469 25.601 ( 0.000 -5.975 4.481) 7.469 26.109 ( 0.000 13.411 -0.922) 13.443 26.109 ( 0.000 13.411 0.922) 13.443 26.344 ( 0.000 8.151 -1.302) 8.254 26.344 ( 0.000 8.151 1.302) 8.254 28.917 ( 0.000 5.610 -0.191) 5.613 28.917 ( 0.000 5.610 0.191) 5.613 29.793 ( 0.000 -11.317 -8.864) 14.375 29.793 ( 0.000 -11.317 8.864) 14.375 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.920 ( -14.253 3.157 -6.648) 16.041 3.920 ( -14.253 3.157 6.648) 16.041 4.207 ( -1.568 -1.288 -2.578) 3.280 4.207 ( -1.568 -1.288 2.578) 3.280 4.522 ( 4.422 5.393 -17.696) 19.021 4.522 ( 4.422 5.393 17.696) 19.021 4.808 ( 15.507 7.240 -3.733) 17.516 4.808 ( 15.507 7.240 3.733) 17.516 5.164 ( 0.252 16.370 -3.510) 16.744 5.164 ( 0.252 16.370 3.510) 16.744 5.211 ( 1.543 12.870 -6.714) 14.598 5.211 ( 1.543 12.870 6.714) 14.598 5.737 ( -4.626 2.386 -11.702) 12.808 5.737 ( -4.626 2.386 11.702) 12.808 6.035 ( -2.596 -6.716 -8.210) 10.920 6.035 ( -2.596 -6.716 8.210) 10.920 6.307 ( -10.486 -2.318 -8.783) 13.874 6.307 ( -10.486 -2.318 8.783) 13.874 6.642 ( 8.327 2.984 -3.180) 9.400 6.642 ( 8.327 2.984 3.180) 9.400 7.030 ( 5.980 1.828 -6.371) 8.926 7.030 ( 5.980 1.828 6.371) 8.926 7.398 ( -3.147 3.200 -1.137) 4.630 7.398 ( -3.147 3.200 1.137) 4.630 7.470 ( -2.421 5.653 -2.098) 6.497 7.470 ( -2.421 5.653 2.098) 6.497 7.897 ( 0.381 -0.486 -0.501) 0.795 7.897 ( 0.381 -0.486 0.501) 0.795 8.378 ( 3.109 -4.161 -8.022) 9.557 8.378 ( 3.109 -4.161 8.022) 9.557 8.563 ( -2.011 0.819 -15.109) 15.264 8.563 ( -2.011 0.819 15.109) 15.264 8.727 ( 3.777 -7.698 -7.197) 11.195 8.727 ( 3.777 -7.698 7.197) 11.195 8.998 ( 1.165 -4.349 -10.304) 11.244 8.998 ( 1.165 -4.349 10.304) 11.244 9.511 ( -1.538 8.875 -5.167) 10.384 9.511 ( -1.538 8.875 5.167) 10.384 9.759 ( -3.045 -7.225 -2.383) 8.195 9.759 ( -3.045 -7.225 2.383) 8.195 9.948 ( -1.383 -2.727 -0.561) 3.109 9.948 ( -1.383 -2.727 0.561) 3.109 10.212 ( 1.654 -5.660 -6.548) 8.812 10.212 ( 1.654 -5.660 6.548) 8.812 11.950 ( 0.428 1.031 -0.911) 1.441 11.950 ( 0.428 1.031 0.911) 1.441 12.227 ( -0.320 -7.360 -1.154) 7.457 12.227 ( -0.320 -7.360 1.154) 7.457 13.026 ( -0.030 2.246 -1.089) 2.496 13.026 ( -0.030 2.246 1.089) 2.496 13.279 ( -2.047 4.790 -1.112) 5.326 13.279 ( -2.047 4.790 1.112) 5.326 13.691 ( 6.149 3.644 -2.227) 7.487 13.691 ( 6.149 3.644 2.227) 7.487 14.256 ( -6.848 3.073 -5.143) 9.098 14.256 ( -6.848 3.073 5.143) 9.098 14.533 ( 2.187 3.148 -3.535) 5.214 14.533 ( 2.187 3.148 3.535) 5.214 14.941 ( -0.497 -2.361 -1.003) 2.613 14.941 ( -0.497 -2.361 1.003) 2.613 15.404 ( -0.021 0.743 -0.865) 1.141 15.404 ( -0.021 0.743 0.865) 1.141 15.881 ( -0.021 -10.359 -1.770) 10.509 15.881 ( -0.021 -10.359 1.770) 10.509 16.633 ( 1.929 4.239 -1.067) 4.778 16.633 ( 1.929 4.239 1.067) 4.778 17.199 ( -1.448 -10.779 -5.191) 12.051 17.199 ( -1.448 -10.779 5.191) 12.051 24.141 ( 2.465 0.464 -0.146) 2.512 24.141 ( 2.465 0.464 0.146) 2.512 24.298 ( -1.108 -0.224 -2.151) 2.430 24.298 ( -1.108 -0.224 2.151) 2.430 25.142 ( 2.624 -2.613 -0.916) 3.815 25.142 ( 2.624 -2.613 0.916) 3.815 25.564 ( -3.820 -6.000 -4.111) 8.215 25.564 ( -3.820 -6.000 4.111) 8.215 26.119 ( 0.983 13.353 -0.971) 13.424 26.119 ( 0.983 13.353 0.971) 13.424 26.341 ( -0.357 8.276 -1.087) 8.355 26.341 ( -0.357 8.276 1.087) 8.355 28.919 ( 0.149 5.545 -0.370) 5.559 28.919 ( 0.149 5.545 0.370) 5.559 29.787 ( -0.645 -11.275 -7.200) 13.393 29.787 ( -0.645 -11.275 7.200) 13.393 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -5.940 4.646 -1.710) 7.733 3.725 ( -5.940 4.646 1.710) 7.733 4.191 ( -0.366 -3.375 -0.759) 3.479 4.191 ( -0.366 -3.375 0.759) 3.479 4.598 ( 3.076 5.115 -10.431) 12.018 4.598 ( 3.076 5.115 10.431) 12.018 4.973 ( 2.096 13.217 -8.297) 15.745 4.973 ( 2.096 13.217 8.297) 15.745 5.170 ( 0.249 14.105 -1.874) 14.231 5.170 ( 0.249 14.105 1.874) 14.231 5.272 ( 4.673 5.472 -0.768) 7.237 5.272 ( 4.673 5.472 0.768) 7.237 5.683 ( -1.661 5.149 -4.174) 6.833 5.683 ( -1.661 5.149 4.174) 6.833 5.998 ( 0.188 -6.672 -8.272) 10.629 5.998 ( 0.188 -6.672 8.272) 10.629 6.135 ( -7.422 -6.483 -8.020) 12.705 6.135 ( -7.422 -6.483 8.020) 12.705 6.779 ( 5.150 4.608 -2.302) 7.284 6.779 ( 5.150 4.608 2.302) 7.284 7.107 ( 1.852 4.184 -3.631) 5.841 7.107 ( 1.852 4.184 3.631) 5.841 7.344 ( -1.786 4.563 -0.866) 4.976 7.344 ( -1.786 4.563 0.866) 4.976 7.422 ( -2.191 10.910 -1.220) 11.194 7.422 ( -2.191 10.910 1.220) 11.194 7.901 ( 0.038 -0.737 -0.095) 0.744 7.901 ( 0.038 -0.737 0.095) 0.744 8.432 ( 1.960 -3.327 -3.605) 5.282 8.432 ( 1.960 -3.327 3.605) 5.282 8.546 ( -0.128 -0.565 -6.431) 6.457 8.546 ( -0.128 -0.565 6.431) 6.457 8.789 ( 2.446 -11.278 -5.263) 12.684 8.789 ( 2.446 -11.278 5.263) 12.684 9.012 ( 0.236 -7.373 -7.109) 10.245 9.012 ( 0.236 -7.373 7.109) 10.245 9.478 ( -1.535 7.473 -3.172) 8.262 9.478 ( -1.535 7.473 3.172) 8.262 9.714 ( -1.460 -5.543 -1.551) 5.938 9.714 ( -1.460 -5.543 1.551) 5.938 9.922 ( -0.997 -1.855 -0.511) 2.167 9.922 ( -0.997 -1.855 0.511) 2.167 10.238 ( 0.925 -4.700 -2.093) 5.227 10.238 ( 0.925 -4.700 2.093) 5.227 11.957 ( 0.288 1.212 -0.367) 1.299 11.957 ( 0.288 1.212 0.367) 1.299 12.221 ( -0.219 -6.903 -0.459) 6.922 12.221 ( -0.219 -6.903 0.459) 6.922 13.029 ( 0.263 1.633 -0.471) 1.720 13.029 ( 0.263 1.633 0.471) 1.720 13.243 ( -1.415 3.620 -0.474) 3.916 13.243 ( -1.415 3.620 0.474) 3.916 13.818 ( 6.243 3.485 -1.284) 7.265 13.818 ( 6.243 3.485 1.284) 7.265 14.122 ( -6.352 2.647 -2.361) 7.275 14.122 ( -6.352 2.647 2.361) 7.275 14.564 ( 0.956 5.352 -1.541) 5.650 14.564 ( 0.956 5.352 1.541) 5.650 14.932 ( -0.362 -2.931 -0.634) 3.021 14.932 ( -0.362 -2.931 0.634) 3.021 15.403 ( -0.008 1.160 -0.324) 1.205 15.403 ( -0.008 1.160 0.324) 1.205 15.881 ( -0.012 -10.651 -0.656) 10.672 15.881 ( -0.012 -10.651 0.656) 10.672 16.667 ( 1.291 3.896 -0.648) 4.155 16.667 ( 1.291 3.896 0.648) 4.155 17.174 ( -1.001 -10.459 -2.110) 10.716 17.174 ( -1.001 -10.459 2.110) 10.716 24.192 ( 2.453 0.705 -0.386) 2.581 24.192 ( 2.453 0.705 0.386) 2.581 24.271 ( -1.621 -0.209 -1.203) 2.029 24.271 ( -1.621 -0.209 1.203) 2.029 25.197 ( 2.541 -2.784 -0.914) 3.879 25.197 ( 2.541 -2.784 0.914) 3.879 25.489 ( -3.244 -6.227 -2.140) 7.340 25.489 ( -3.244 -6.227 2.140) 7.340 26.136 ( 0.623 13.333 -0.466) 13.356 26.136 ( 0.623 13.333 0.466) 13.356 26.334 ( -0.267 8.455 -0.435) 8.470 26.334 ( -0.267 8.455 0.435) 8.470 28.921 ( 0.097 5.441 -0.221) 5.446 28.921 ( 0.097 5.441 0.221) 5.446 29.776 ( -0.403 -11.206 -2.769) 11.550 29.776 ( -0.403 -11.206 2.769) 11.550 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.149 ( 0.000 2.189 -13.576) 13.751 4.149 ( 0.000 2.189 13.576) 13.751 4.234 ( 0.000 -1.574 -3.954) 4.256 4.234 ( 0.000 -1.574 3.954) 4.256 4.505 ( 0.000 3.231 -13.182) 13.572 4.505 ( 0.000 3.231 13.182) 13.572 4.834 ( 0.000 13.806 -2.822) 14.092 4.834 ( 0.000 13.806 2.822) 14.092 5.311 ( 0.000 -2.324 -2.889) 3.707 5.311 ( 0.000 -2.324 2.889) 3.707 5.471 ( 0.000 10.475 -6.267) 12.207 5.471 ( 0.000 10.475 6.267) 12.207 5.832 ( 0.000 -1.182 -11.484) 11.545 5.832 ( 0.000 -1.182 11.484) 11.545 5.981 ( 0.000 -1.935 -7.023) 7.285 5.981 ( 0.000 -1.935 7.023) 7.285 6.422 ( 0.000 -0.516 -2.077) 2.140 6.422 ( 0.000 -0.516 2.077) 2.140 6.612 ( 0.000 10.225 -9.944) 14.262 6.612 ( 0.000 10.225 9.944) 14.262 7.030 ( 0.000 5.042 -2.662) 5.701 7.030 ( 0.000 5.042 2.662) 5.701 7.379 ( 0.000 -7.328 -3.027) 7.929 7.379 ( 0.000 -7.328 3.027) 7.929 7.529 ( 0.000 0.724 -0.637) 0.964 7.529 ( 0.000 0.724 0.637) 0.964 7.929 ( 0.000 2.328 -1.046) 2.552 7.929 ( 0.000 2.328 1.046) 2.552 8.316 ( 0.000 1.918 -7.273) 7.522 8.316 ( 0.000 1.918 7.273) 7.522 8.528 ( 0.000 -7.540 -1.797) 7.751 8.528 ( 0.000 -7.540 1.797) 7.751 8.686 ( 0.000 4.406 -9.309) 10.299 8.686 ( 0.000 4.406 9.309) 10.299 8.913 ( 0.000 -1.983 -18.771) 18.876 8.913 ( 0.000 -1.983 18.771) 18.876 9.644 ( 0.000 -2.975 -7.791) 8.340 9.644 ( 0.000 -2.975 7.791) 8.340 9.700 ( 0.000 2.844 -3.559) 4.556 9.700 ( 0.000 2.844 3.559) 4.556 9.910 ( 0.000 -2.596 -2.900) 3.892 9.910 ( 0.000 -2.596 2.900) 3.892 10.021 ( 0.000 -8.792 -6.468) 10.915 10.021 ( 0.000 -8.792 6.468) 10.915 11.967 ( 0.000 1.370 -1.795) 2.258 11.967 ( 0.000 1.370 1.795) 2.258 12.089 ( 0.000 -5.978 -0.566) 6.004 12.089 ( 0.000 -5.978 0.566) 6.004 13.095 ( 0.000 3.378 -1.633) 3.752 13.095 ( 0.000 3.378 1.633) 3.752 13.369 ( 0.000 1.286 -1.219) 1.772 13.369 ( 0.000 1.286 1.219) 1.772 13.708 ( 0.000 3.924 -0.573) 3.966 13.708 ( 0.000 3.924 0.573) 3.966 14.418 ( 0.000 4.002 -5.259) 6.608 14.418 ( 0.000 4.002 5.259) 6.608 14.551 ( 0.000 3.867 -1.303) 4.081 14.551 ( 0.000 3.867 1.303) 4.081 14.885 ( 0.000 -3.971 -0.340) 3.986 14.885 ( 0.000 -3.971 0.340) 3.986 15.414 ( 0.000 0.652 -1.692) 1.813 15.414 ( 0.000 0.652 1.692) 1.813 15.687 ( 0.000 -8.686 -1.130) 8.759 15.687 ( 0.000 -8.686 1.130) 8.759 16.694 ( 0.000 3.641 -0.721) 3.711 16.694 ( 0.000 3.641 0.721) 3.711 17.019 ( 0.000 -8.071 -3.239) 8.696 17.019 ( 0.000 -8.071 3.239) 8.696 24.124 ( 0.000 0.261 -0.008) 0.261 24.124 ( 0.000 0.261 0.008) 0.261 24.307 ( 0.000 0.115 -1.274) 1.279 24.307 ( 0.000 0.115 1.274) 1.279 25.086 ( 0.000 -0.771 -0.255) 0.813 25.086 ( 0.000 -0.771 0.255) 0.813 25.495 ( 0.000 -4.374 -2.209) 4.900 25.495 ( 0.000 -4.374 2.209) 4.900 26.345 ( 0.000 9.732 -1.101) 9.794 26.345 ( 0.000 9.732 1.101) 9.794 26.468 ( 0.000 3.926 -0.707) 3.990 26.468 ( 0.000 3.926 0.707) 3.990 29.062 ( 0.000 9.050 -1.538) 9.180 29.062 ( 0.000 9.050 1.538) 9.180 29.549 ( 0.000 -12.962 -6.222) 14.379 29.549 ( 0.000 -12.962 6.222) 14.379 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.995 ( -11.611 3.962 -4.683) 13.132 3.995 ( -11.611 3.962 4.683) 13.132 4.177 ( -3.956 -1.825 -0.448) 4.379 4.177 ( -3.956 -1.825 0.448) 4.379 4.633 ( 6.860 5.814 -14.885) 17.390 4.633 ( 6.860 5.814 14.885) 17.390 4.934 ( 9.894 5.654 -2.437) 11.653 4.934 ( 9.894 5.654 2.437) 11.653 5.266 ( -3.702 -4.265 -1.411) 5.821 5.266 ( -3.702 -4.265 1.411) 5.821 5.487 ( 1.102 12.956 -7.369) 14.946 5.487 ( 1.102 12.956 7.369) 14.946 5.820 ( -0.709 2.550 -10.840) 11.158 5.820 ( -0.709 2.550 10.840) 11.158 5.919 ( -4.412 -4.937 -8.066) 10.436 5.919 ( -4.412 -4.937 8.066) 10.436 6.377 ( -6.404 10.583 -8.797) 15.179 6.377 ( -6.404 10.583 8.797) 15.179 6.699 ( 9.379 3.088 -9.930) 14.004 6.699 ( 9.379 3.088 9.930) 14.004 7.089 ( 4.795 3.086 -5.364) 7.828 7.089 ( 4.795 3.086 5.364) 7.828 7.329 ( -3.888 -7.993 -3.286) 9.476 7.329 ( -3.888 -7.993 3.286) 9.476 7.588 ( 4.992 4.346 -4.868) 8.216 7.588 ( 4.992 4.346 4.868) 8.216 7.943 ( 0.864 3.541 -1.692) 4.018 7.943 ( 0.864 3.541 1.692) 4.018 8.333 ( 2.262 0.340 -7.804) 8.132 8.333 ( 2.262 0.340 7.804) 8.132 8.529 ( 0.304 -7.559 -3.578) 8.368 8.529 ( 0.304 -7.559 3.578) 8.368 8.639 ( -4.562 1.852 -7.086) 8.629 8.639 ( -4.562 1.852 7.086) 8.629 8.901 ( -1.755 -3.713 -17.272) 17.753 8.901 ( -1.755 -3.713 17.272) 17.753 9.624 ( -1.728 -0.379 -6.498) 6.735 9.624 ( -1.728 -0.379 6.498) 6.735 9.690 ( -0.925 2.272 -3.149) 3.992 9.690 ( -0.925 2.272 3.149) 3.992 9.904 ( -0.604 -1.809 -2.479) 3.128 9.904 ( -0.604 -1.809 2.479) 3.128 10.045 ( 2.211 -9.373 -4.550) 10.651 10.045 ( 2.211 -9.373 4.550) 10.651 11.972 ( 0.461 1.320 -1.511) 2.059 11.972 ( 0.461 1.320 1.511) 2.059 12.091 ( 0.185 -5.776 -0.547) 5.805 12.091 ( 0.185 -5.776 0.547) 5.805 13.086 ( -0.565 3.264 -1.500) 3.636 13.086 ( -0.565 3.264 1.500) 3.636 13.332 ( -3.606 0.479 -1.110) 3.803 13.332 ( -3.606 0.479 1.110) 3.803 13.775 ( 6.799 4.477 -0.235) 8.144 13.775 ( 6.799 4.477 0.235) 8.144 14.326 ( -7.813 3.534 -3.913) 9.426 14.326 ( -7.813 3.534 3.913) 9.426 14.611 ( 4.319 4.423 -3.359) 7.036 14.611 ( 4.319 4.423 3.359) 7.036 14.875 ( -0.997 -4.011 -1.574) 4.423 14.875 ( -0.997 -4.011 1.574) 4.423 15.421 ( 0.677 1.164 -1.367) 1.919 15.421 ( 0.677 1.164 1.367) 1.919 15.682 ( -0.538 -9.087 -0.895) 9.147 15.682 ( -0.538 -9.087 0.895) 9.147 16.711 ( 1.736 3.682 -0.899) 4.168 16.711 ( 1.736 3.682 0.899) 4.168 17.007 ( -1.244 -8.102 -2.803) 8.663 17.007 ( -1.244 -8.102 2.803) 8.663 24.150 ( 2.652 0.339 -0.078) 2.675 24.150 ( 2.652 0.339 0.078) 2.675 24.298 ( -1.077 0.108 -1.140) 1.572 24.298 ( -1.077 0.108 1.140) 1.572 25.110 ( 2.625 -0.680 -0.574) 2.772 25.110 ( 2.625 -0.680 0.574) 2.772 25.455 ( -4.160 -4.587 -2.080) 6.532 25.455 ( -4.160 -4.587 2.080) 6.532 26.354 ( 0.817 9.615 -1.027) 9.705 26.354 ( 0.817 9.615 1.027) 9.705 26.468 ( -0.058 4.094 -0.740) 4.161 26.468 ( -0.058 4.094 0.740) 4.161 29.063 ( 0.088 9.079 -1.312) 9.173 29.063 ( 0.088 9.079 1.312) 9.173 29.542 ( -0.618 -13.003 -5.082) 13.974 29.542 ( -0.618 -13.003 5.082) 13.975 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.843 ( -4.426 6.901 -1.246) 8.292 3.843 ( -4.426 6.901 1.246) 8.292 4.112 ( -2.460 -4.743 -0.582) 5.374 4.112 ( -2.460 -4.743 0.582) 5.374 4.710 ( 2.164 6.395 -8.093) 10.540 4.710 ( 2.164 6.395 8.093) 10.540 5.037 ( -0.156 -5.990 -3.391) 6.884 5.037 ( -0.156 -5.990 3.391) 6.884 5.300 ( 8.675 3.287 -5.470) 10.770 5.300 ( 8.675 3.287 5.470) 10.770 5.456 ( -5.674 10.817 -7.164) 14.161 5.456 ( -5.674 10.817 7.164) 14.161 5.794 ( -1.665 -0.408 -0.536) 1.796 5.794 ( -1.665 -0.408 0.536) 1.796 5.916 ( 3.499 -4.149 -5.640) 7.828 5.916 ( 3.499 -4.149 5.640) 7.828 6.241 ( -6.516 21.527 -6.229) 23.338 6.241 ( -6.516 21.527 6.229) 23.338 6.853 ( 5.429 1.348 -3.748) 6.733 6.853 ( 5.429 1.348 3.748) 6.733 7.154 ( 2.035 0.544 -3.827) 4.368 7.154 ( 2.035 0.544 3.827) 4.368 7.271 ( -2.081 -8.935 -2.673) 9.556 7.271 ( -2.081 -8.935 2.673) 9.556 7.673 ( 3.443 12.170 -4.242) 13.340 7.673 ( 3.443 12.170 4.242) 13.340 7.939 ( -0.976 3.258 -2.175) 4.038 7.939 ( -0.976 3.258 2.175) 4.038 8.406 ( 5.484 -1.095 -6.891) 8.875 8.406 ( 5.484 -1.095 6.891) 8.875 8.511 ( -4.620 -3.555 -3.082) 6.594 8.511 ( -4.620 -3.555 3.082) 6.594 8.576 ( 0.015 -6.521 -0.788) 6.568 8.576 ( 0.015 -6.521 0.788) 6.568 8.853 ( -2.590 -7.544 -9.165) 12.150 8.853 ( -2.590 -7.544 9.165) 12.150 9.600 ( -0.745 4.394 -2.679) 5.200 9.600 ( -0.745 4.394 2.679) 5.200 9.673 ( -0.665 0.743 -1.356) 1.683 9.673 ( -0.665 0.743 1.356) 1.683 9.894 ( -0.345 -0.708 -0.902) 1.198 9.894 ( -0.345 -0.708 0.902) 1.198 10.080 ( 1.189 -9.949 -1.468) 10.126 10.080 ( 1.189 -9.949 1.468) 10.126 11.980 ( 0.292 1.218 -0.614) 1.395 11.980 ( 0.292 1.218 0.614) 1.395 12.094 ( 0.113 -5.426 -0.256) 5.434 12.094 ( 0.113 -5.426 0.256) 5.434 13.086 ( 0.396 3.787 -0.793) 3.889 13.086 ( 0.396 3.787 0.793) 3.889 13.265 ( -2.768 -1.436 -0.611) 3.178 13.265 ( -2.768 -1.436 0.611) 3.178 13.918 ( 7.454 6.214 -0.465) 9.715 13.918 ( 7.454 6.213 0.465) 9.715 14.177 ( -7.410 2.215 -1.922) 7.970 14.177 ( -7.410 2.215 1.922) 7.970 14.673 ( 2.074 5.213 -1.905) 5.925 14.673 ( 2.074 5.213 1.905) 5.925 14.855 ( -0.895 -4.335 -1.259) 4.602 14.855 ( -0.895 -4.335 1.259) 4.602 15.433 ( 0.444 2.103 -0.528) 2.214 15.433 ( 0.444 2.103 0.528) 2.214 15.672 ( -0.358 -9.862 -0.330) 9.874 15.672 ( -0.358 -9.862 0.330) 9.874 16.743 ( 1.267 3.958 -0.572) 4.195 16.743 ( 1.267 3.958 0.572) 4.195 16.984 ( -0.966 -8.359 -1.246) 8.506 16.984 ( -0.966 -8.359 1.246) 8.506 24.206 ( 3.022 0.644 -0.271) 3.102 24.206 ( 3.022 0.644 0.271) 3.102 24.268 ( -2.044 -0.071 -0.714) 2.166 24.268 ( -2.044 -0.071 0.714) 2.166 25.171 ( 3.274 0.170 -0.698) 3.352 25.171 ( 3.274 0.170 0.698) 3.352 25.368 ( -4.215 -5.651 -1.270) 7.163 25.368 ( -4.215 -5.651 1.270) 7.163 26.368 ( 0.550 9.443 -0.481) 9.471 26.368 ( 0.550 9.443 0.481) 9.471 26.466 ( -0.094 4.359 -0.384) 4.377 26.466 ( -0.094 4.359 0.384) 4.377 29.065 ( 0.062 9.135 -0.545) 9.152 29.065 ( 0.062 9.135 0.545) 9.152 29.532 ( -0.389 -13.079 -1.973) 13.233 29.532 ( -0.389 -13.079 1.973) 13.233 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( 0.000 -0.000 0.000) 0.000 4.187 ( 0.000 0.000 0.000) 0.000 4.200 ( 0.000 -0.000 -0.000) 0.000 4.200 ( 0.000 0.000 -0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 4.545 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 -0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.147 ( 0.000 -0.000 0.000) 0.000 5.147 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 -0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.801 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 5.962 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 -0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 7.081 ( 0.000 -0.000 0.000) 0.000 7.081 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.242 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.533 ( 0.000 0.000 0.000) 0.000 7.955 ( 0.000 -0.000 0.000) 0.000 7.955 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.434 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 -0.000 0.000) 0.000 8.935 ( 0.000 0.000 -0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.560 ( 0.000 0.000 0.000) 0.000 9.775 ( 0.000 -0.000 0.000) 0.000 9.775 ( 0.000 0.000 0.000) 0.000 9.834 ( 0.000 -0.000 -0.000) 0.000 9.834 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 9.952 ( 0.000 0.000 0.000) 0.000 12.003 ( 0.000 -0.000 -0.000) 0.000 12.003 ( 0.000 -0.000 0.000) 0.000 12.007 ( 0.000 0.000 -0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 13.374 ( 0.000 0.000 0.000) 0.000 13.374 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 13.754 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 14.456 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.620 ( 0.000 0.000 0.000) 0.000 14.823 ( 0.000 -0.000 0.000) 0.000 14.823 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 0.000) 0.000 15.425 ( 0.000 0.000 -0.000) 0.000 15.588 ( 0.000 -0.000 0.000) 0.000 15.588 ( 0.000 -0.000 0.000) 0.000 16.739 ( 0.000 0.000 0.000) 0.000 16.739 ( 0.000 0.000 0.000) 0.000 16.929 ( 0.000 0.000 0.000) 0.000 16.929 ( 0.000 0.000 0.000) 0.000 24.126 ( 0.000 0.000 0.000) 0.000 24.126 ( 0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 0.000) 0.000 24.309 ( 0.000 0.000 0.000) 0.000 25.080 ( 0.000 0.000 0.000) 0.000 25.080 ( 0.000 0.000 0.000) 0.000 25.448 ( 0.000 0.000 0.000) 0.000 25.448 ( 0.000 0.000 0.000) 0.000 26.458 ( 0.000 0.000 0.000) 0.000 26.458 ( 0.000 0.000 0.000) 0.000 26.494 ( 0.000 -0.000 0.000) 0.000 26.494 ( 0.000 -0.000 0.000) 0.000 29.227 ( 0.000 -0.000 0.000) 0.000 29.227 ( 0.000 0.000 0.000) 0.000 29.343 ( 0.000 -0.000 0.000) 0.000 29.343 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.045 ( -9.277 0.000 0.000) 9.277 4.045 ( -9.277 0.000 0.000) 9.277 4.150 ( -5.446 -0.000 0.000) 5.446 4.150 ( -5.446 0.000 0.000) 5.446 4.708 ( 11.040 0.000 0.000) 11.040 4.708 ( 11.040 0.000 0.000) 11.040 5.005 ( -7.715 0.000 0.000) 7.715 5.005 ( -7.715 0.000 0.000) 7.715 5.180 ( 4.637 0.000 0.000) 4.637 5.180 ( 4.637 0.000 0.000) 4.637 5.641 ( 6.122 0.000 -0.000) 6.122 5.641 ( 6.122 0.000 0.000) 6.122 5.812 ( -7.180 0.000 0.000) 7.180 5.812 ( -7.180 0.000 0.000) 7.180 5.864 ( -1.799 0.000 0.000) 1.799 5.864 ( -1.799 0.000 0.000) 1.799 6.528 ( 8.930 0.000 0.000) 8.930 6.528 ( 8.930 0.000 0.000) 8.930 6.780 ( -2.474 0.000 0.000) 2.474 6.780 ( -2.474 0.000 0.000) 2.474 7.088 ( 0.935 0.000 0.000) 0.935 7.088 ( 0.935 0.000 0.000) 0.935 7.220 ( -1.901 0.000 0.000) 1.901 7.220 ( -1.901 0.000 0.000) 1.901 7.628 ( 9.165 0.000 0.000) 9.165 7.628 ( 9.165 0.000 0.000) 9.165 7.987 ( 2.481 -0.000 0.000) 2.481 7.987 ( 2.481 0.000 0.000) 2.481 8.353 ( -0.209 -0.000 0.000) 0.209 8.353 ( -0.209 0.000 0.000) 0.209 8.423 ( -1.073 0.000 0.000) 1.073 8.423 ( -1.073 0.000 0.000) 1.073 8.670 ( -4.232 -0.000 0.000) 4.232 8.670 ( -4.232 0.000 0.000) 4.232 8.878 ( -6.022 0.000 -0.000) 6.022 8.878 ( -6.022 0.000 0.000) 6.022 9.583 ( 2.360 0.000 0.000) 2.360 9.583 ( 2.360 0.000 0.000) 2.360 9.753 ( -2.265 0.000 0.000) 2.265 9.753 ( -2.265 0.000 0.000) 2.265 9.858 ( 2.349 -0.000 -0.000) 2.349 9.858 ( 2.349 0.000 0.000) 2.349 9.950 ( -0.255 -0.000 0.000) 0.255 9.950 ( -0.255 0.000 0.000) 0.255 12.007 ( 0.358 -0.000 -0.000) 0.358 12.007 ( 0.358 -0.000 0.000) 0.358 12.011 ( 0.401 0.000 -0.000) 0.401 12.011 ( 0.401 0.000 0.000) 0.401 13.126 ( -0.294 0.000 0.000) 0.294 13.126 ( -0.294 0.000 0.000) 0.294 13.327 ( -4.745 0.000 0.000) 4.745 13.327 ( -4.745 0.000 0.000) 4.745 13.828 ( 7.611 0.000 0.000) 7.611 13.828 ( 7.611 0.000 0.000) 7.611 14.365 ( -8.120 0.000 0.000) 8.120 14.365 ( -8.120 0.000 0.000) 8.120 14.676 ( 4.254 0.000 0.000) 4.254 14.676 ( 4.254 0.000 0.000) 4.254 14.816 ( -0.872 -0.000 0.000) 0.872 14.816 ( -0.872 0.000 0.000) 0.872 15.442 ( 1.807 0.000 0.000) 1.807 15.442 ( 1.807 0.000 0.000) 1.807 15.574 ( -1.549 -0.000 0.000) 1.549 15.574 ( -1.549 -0.000 0.000) 1.549 16.760 ( 2.199 0.000 0.000) 2.199 16.760 ( 2.199 0.000 0.000) 2.199 16.913 ( -1.700 -0.000 0.000) 1.700 16.913 ( -1.700 0.000 0.000) 1.700 24.153 ( 2.747 0.000 0.000) 2.747 24.153 ( 2.747 0.000 0.000) 2.747 24.299 ( -1.105 0.000 0.000) 1.105 24.299 ( -1.105 0.000 0.000) 1.105 25.106 ( 2.894 0.000 0.000) 2.894 25.106 ( 2.894 0.000 0.000) 2.894 25.405 ( -4.548 0.000 0.000) 4.548 25.405 ( -4.548 0.000 0.000) 4.548 26.466 ( 0.748 0.000 0.000) 0.748 26.466 ( 0.748 0.000 0.000) 0.748 26.496 ( 0.064 -0.000 0.000) 0.064 26.496 ( 0.064 -0.000 0.000) 0.064 29.236 ( 0.904 -0.000 0.000) 0.904 29.236 ( 0.904 0.000 0.000) 0.904 29.329 ( -1.445 -0.000 0.000) 1.445 29.329 ( -1.445 0.000 0.000) 1.445 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.954 ( -0.162 -0.000 0.000) 0.162 3.954 ( -0.162 0.000 0.000) 0.162 4.026 ( -6.971 -0.000 0.000) 6.971 4.026 ( -6.971 0.000 0.000) 6.971 4.837 ( 3.602 0.000 0.000) 3.602 4.837 ( 3.602 0.000 0.000) 3.602 4.893 ( -4.043 0.000 0.000) 4.043 4.893 ( -4.043 0.000 0.000) 4.043 5.339 ( 12.318 0.000 0.000) 12.318 5.339 ( 12.318 0.000 0.000) 12.318 5.585 ( -14.023 0.000 0.000) 14.023 5.585 ( -14.023 0.000 0.000) 14.023 5.770 ( 7.006 0.000 0.000) 7.006 5.770 ( 7.006 0.000 0.000) 7.006 5.860 ( -2.378 0.000 0.000) 2.378 5.860 ( -2.378 -0.000 0.000) 2.378 6.665 ( 5.344 0.000 0.000) 5.344 6.665 ( 5.344 0.000 0.000) 5.344 6.731 ( -2.767 0.000 -0.000) 2.767 6.731 ( -2.767 0.000 0.000) 2.767 7.123 ( 2.876 -0.000 0.000) 2.876 7.123 ( 2.876 0.000 0.000) 2.876 7.178 ( -2.800 0.000 0.000) 2.800 7.178 ( -2.800 0.000 0.000) 2.800 7.819 ( 10.900 -0.000 0.000) 10.900 7.819 ( 10.900 0.000 0.000) 10.900 7.976 ( -5.073 -0.000 0.000) 5.073 7.976 ( -5.073 0.000 0.000) 5.073 8.371 ( 1.994 -0.000 0.000) 1.994 8.371 ( 1.994 0.000 0.000) 1.994 8.401 ( -1.295 0.000 0.000) 1.295 8.401 ( -1.295 0.000 0.000) 1.295 8.630 ( 1.647 -0.000 -0.000) 1.647 8.630 ( 1.647 -0.000 0.000) 1.647 8.737 ( -8.525 0.000 0.000) 8.525 8.737 ( -8.525 0.000 0.000) 8.525 9.637 ( 3.426 0.000 0.000) 3.426 9.637 ( 3.426 0.000 0.000) 3.426 9.700 ( -3.395 0.000 0.000) 3.395 9.700 ( -3.395 0.000 0.000) 3.395 9.904 ( 2.415 -0.000 0.000) 2.415 9.904 ( 2.415 0.000 0.000) 2.415 9.938 ( -1.228 -0.000 0.000) 1.228 9.938 ( -1.228 0.000 0.000) 1.228 12.014 ( 0.354 -0.000 0.000) 0.354 12.014 ( 0.354 -0.000 0.000) 0.354 12.017 ( 0.118 0.000 0.000) 0.118 12.017 ( 0.118 0.000 0.000) 0.118 13.145 ( 2.833 0.000 0.000) 2.833 13.145 ( 2.833 0.000 0.000) 2.833 13.226 ( -5.694 -0.000 0.000) 5.694 13.226 ( -5.694 0.000 0.000) 5.694 14.000 ( 10.665 0.000 0.000) 10.665 14.000 ( 10.665 0.000 0.000) 10.665 14.194 ( -10.426 0.000 0.000) 10.426 14.194 ( -10.426 0.000 0.000) 10.426 14.745 ( 3.197 0.000 0.000) 3.197 14.745 ( 3.197 0.000 0.000) 3.197 14.791 ( -1.907 -0.000 0.000) 1.907 14.791 ( -1.907 -0.000 0.000) 1.907 15.485 ( 2.758 0.000 0.000) 2.758 15.485 ( 2.758 0.000 0.000) 2.758 15.535 ( -2.605 -0.000 0.000) 2.605 15.535 ( -2.605 -0.000 0.000) 2.605 16.812 ( 3.277 0.000 0.000) 3.277 16.812 ( 3.277 0.000 0.000) 3.277 16.870 ( -2.969 -0.000 0.000) 2.969 16.870 ( -2.969 -0.000 0.000) 2.969 24.213 ( 3.455 0.000 0.000) 3.455 24.213 ( 3.455 0.000 0.000) 3.455 24.268 ( -2.431 -0.000 0.000) 2.431 24.268 ( -2.431 0.000 0.000) 2.431 25.184 ( 5.614 0.000 0.000) 5.614 25.184 ( 5.614 0.000 0.000) 5.614 25.299 ( -6.635 0.000 0.000) 6.635 25.299 ( -6.635 0.000 0.000) 6.635 26.481 ( 0.871 0.000 0.000) 0.871 26.481 ( 0.871 0.000 0.000) 0.871 26.493 ( -0.379 -0.000 0.000) 0.379 26.493 ( -0.379 -0.000 0.000) 0.379 29.260 ( 1.752 -0.000 0.000) 1.752 29.260 ( 1.752 0.000 0.000) 1.752 29.296 ( -2.086 -0.000 0.000) 2.086 29.296 ( -2.086 0.000 0.000) 2.086 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/33600 10.0 4989.368 2984.126 923.407 0.000 0.000 -0.000 3/33600 20.0 2121.028 2060.950 1612.322 0.000 0.000 -0.000 3/33600 30.0 693.088 788.020 771.276 0.000 0.000 -0.000 3/33600 40.0 270.409 343.606 343.593 0.000 0.000 -0.000 3/33600 50.0 132.028 178.188 177.709 0.000 0.000 -0.000 3/33600 60.0 77.091 107.767 106.865 0.000 0.000 -0.000 3/33600 70.0 51.088 72.981 71.912 0.000 0.000 -0.000 3/33600 80.0 36.949 53.527 52.437 0.000 0.000 -0.000 3/33600 90.0 28.413 41.551 40.514 0.000 0.000 -0.000 3/33600 100.0 22.840 33.623 32.669 0.000 0.000 -0.000 3/33600 110.0 18.978 28.073 27.210 0.000 0.000 -0.000 3/33600 120.0 16.175 24.015 23.239 0.000 0.000 -0.000 3/33600 130.0 14.065 20.942 20.245 0.000 0.000 -0.000 3/33600 140.0 12.428 18.549 17.922 0.000 0.000 -0.000 3/33600 150.0 11.127 16.640 16.076 0.000 0.000 -0.000 3/33600 160.0 10.072 15.088 14.578 0.000 0.000 -0.000 3/33600 170.0 9.200 13.803 13.341 0.000 0.000 -0.000 3/33600 180.0 8.470 12.726 12.306 0.000 0.000 -0.000 3/33600 190.0 7.850 11.810 11.427 0.000 0.000 -0.000 3/33600 200.0 7.317 11.023 10.674 0.000 0.000 -0.000 3/33600 210.0 6.855 10.340 10.021 0.000 0.000 -0.000 3/33600 220.0 6.451 9.742 9.450 0.000 0.000 -0.000 3/33600 230.0 6.094 9.214 8.948 0.000 0.000 -0.000 3/33600 240.0 5.777 8.746 8.502 0.000 0.000 -0.000 3/33600 250.0 5.494 8.327 8.103 0.000 0.000 -0.000 3/33600 260.0 5.239 7.950 7.746 0.000 0.000 -0.000 3/33600 270.0 5.008 7.609 7.422 0.000 0.000 -0.000 3/33600 280.0 4.799 7.300 7.129 0.000 0.000 -0.000 3/33600 290.0 4.607 7.017 6.861 0.000 0.000 -0.000 3/33600 300.0 4.432 6.758 6.616 0.000 0.000 -0.000 3/33600 310.0 4.270 6.519 6.391 0.000 0.000 -0.000 3/33600 320.0 4.121 6.299 6.182 0.000 0.000 -0.000 3/33600 330.0 3.983 6.095 5.989 0.000 0.000 -0.000 3/33600 340.0 3.854 5.905 5.810 0.000 0.000 -0.000 3/33600 350.0 3.734 5.728 5.642 0.000 0.000 -0.000 3/33600 360.0 3.622 5.562 5.486 0.000 0.000 -0.000 3/33600 370.0 3.517 5.407 5.339 0.000 0.000 -0.000 3/33600 380.0 3.419 5.261 5.201 0.000 0.000 -0.000 3/33600 390.0 3.326 5.123 5.071 0.000 0.000 -0.000 3/33600 400.0 3.238 4.994 4.948 0.000 0.000 -0.000 3/33600 410.0 3.156 4.871 4.832 0.000 0.000 -0.000 3/33600 420.0 3.077 4.755 4.721 0.000 0.000 -0.000 3/33600 430.0 3.003 4.644 4.616 0.000 0.000 -0.000 3/33600 440.0 2.932 4.539 4.517 0.000 0.000 -0.000 3/33600 450.0 2.865 4.439 4.422 0.000 0.000 -0.000 3/33600 460.0 2.801 4.344 4.331 0.000 0.000 -0.000 3/33600 470.0 2.740 4.253 4.244 0.000 0.000 -0.000 3/33600 480.0 2.682 4.166 4.161 0.000 0.000 -0.000 3/33600 490.0 2.626 4.083 4.082 0.000 0.000 -0.000 3/33600 500.0 2.573 4.003 4.005 0.000 0.000 -0.000 3/33600 510.0 2.522 3.927 3.932 0.000 0.000 -0.000 3/33600 520.0 2.473 3.853 3.861 0.000 0.000 -0.000 3/33600 530.0 2.426 3.783 3.793 0.000 0.000 -0.000 3/33600 540.0 2.381 3.715 3.728 0.000 0.000 -0.000 3/33600 550.0 2.337 3.649 3.665 0.000 0.000 -0.000 3/33600 560.0 2.295 3.586 3.604 0.000 0.000 -0.000 3/33600 570.0 2.255 3.525 3.546 0.000 0.000 -0.000 3/33600 580.0 2.216 3.467 3.489 0.000 0.000 -0.000 3/33600 590.0 2.179 3.410 3.434 0.000 0.000 -0.000 3/33600 600.0 2.142 3.355 3.381 0.000 0.000 -0.000 3/33600 610.0 2.107 3.302 3.329 0.000 0.000 -0.000 3/33600 620.0 2.073 3.251 3.279 0.000 0.000 -0.000 3/33600 630.0 2.041 3.201 3.231 0.000 0.000 -0.000 3/33600 640.0 2.009 3.153 3.184 0.000 0.000 -0.000 3/33600 650.0 1.978 3.106 3.139 0.000 0.000 -0.000 3/33600 660.0 1.948 3.061 3.095 0.000 0.000 -0.000 3/33600 670.0 1.919 3.017 3.052 0.000 0.000 -0.000 3/33600 680.0 1.891 2.974 3.010 0.000 0.000 -0.000 3/33600 690.0 1.864 2.933 2.969 0.000 0.000 -0.000 3/33600 700.0 1.838 2.892 2.930 0.000 0.000 -0.000 3/33600 710.0 1.812 2.853 2.891 0.000 0.000 -0.000 3/33600 720.0 1.787 2.815 2.854 0.000 0.000 -0.000 3/33600 730.0 1.763 2.778 2.817 0.000 0.000 -0.000 3/33600 740.0 1.739 2.742 2.782 0.000 0.000 -0.000 3/33600 750.0 1.716 2.707 2.747 0.000 0.000 -0.000 3/33600 760.0 1.694 2.672 2.713 0.000 0.000 -0.000 3/33600 770.0 1.672 2.639 2.681 0.000 0.000 -0.000 3/33600 780.0 1.651 2.606 2.648 0.000 0.000 -0.000 3/33600 790.0 1.630 2.574 2.617 0.000 0.000 -0.000 3/33600 800.0 1.610 2.543 2.586 0.000 0.000 -0.000 3/33600 810.0 1.590 2.513 2.556 0.000 0.000 -0.000 3/33600 820.0 1.571 2.484 2.527 0.000 0.000 -0.000 3/33600 830.0 1.553 2.455 2.499 0.000 0.000 -0.000 3/33600 840.0 1.534 2.427 2.471 0.000 0.000 -0.000 3/33600 850.0 1.516 2.399 2.443 0.000 0.000 -0.000 3/33600 860.0 1.499 2.372 2.417 0.000 0.000 -0.000 3/33600 870.0 1.482 2.346 2.390 0.000 0.000 -0.000 3/33600 880.0 1.465 2.320 2.365 0.000 0.000 -0.000 3/33600 890.0 1.449 2.295 2.340 0.000 0.000 -0.000 3/33600 900.0 1.433 2.270 2.315 0.000 0.000 -0.000 3/33600 910.0 1.418 2.246 2.291 0.000 0.000 -0.000 3/33600 920.0 1.402 2.223 2.268 0.000 0.000 -0.000 3/33600 930.0 1.387 2.199 2.245 0.000 0.000 -0.000 3/33600 940.0 1.373 2.177 2.222 0.000 0.000 -0.000 3/33600 950.0 1.359 2.155 2.200 0.000 0.000 -0.000 3/33600 960.0 1.345 2.133 2.178 0.000 0.000 -0.000 3/33600 970.0 1.331 2.112 2.157 0.000 0.000 -0.000 3/33600 980.0 1.317 2.091 2.136 0.000 0.000 -0.000 3/33600 990.0 1.304 2.070 2.116 0.000 0.000 -0.000 3/33600 1000.0 1.291 2.050 2.096 0.000 0.000 -0.000 3/33600 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:51:30]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|