----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 03:08:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947566505147063 -3.443226175000000 0.000000000000000 b 5.947566505147063 3.443226175000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): *1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 *2 Ca 0.15945403218397 0.66926022616782 0.50063085495556 40.078 3 Ca 0.33073977383218 0.84054596781603 0.99936914504444 40.078 4 Ca 0.66926022616782 0.15945403218397 0.00063085495556 40.078 5 Ca 0.84054596781603 0.33073977383218 0.49936914504444 40.078 6 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 *7 Ge 0.31064549862466 0.41845521024807 0.75456704215236 72.640 *8 Ge 0.85605919646347 0.14394080353653 0.75000000000000 72.640 9 Ge 0.41845521024806 0.31064549862466 0.25456704215235 72.640 10 Ge 0.58154478975194 0.68935450137534 0.74543295784764 72.640 11 Ge 0.14394080353653 0.85605919646347 0.25000000000000 72.640 12 Ge 0.68935450137534 0.58154478975194 0.24543295784764 72.640 *13 O 0.16600638580123 0.36741697401418 0.59945847575606 15.999 *14 O 0.27980460771086 0.47114043969006 0.91396307667229 15.999 *15 O 0.58256045548403 0.16775988836098 0.75151707052391 15.999 16 O 0.36741697401418 0.16600638580123 0.09945847575606 15.999 17 O 0.47114043969006 0.27980460771086 0.41396307667229 15.999 *18 O 0.89192999161095 0.00051536617593 0.59390142802425 15.999 *19 O 0.33277328227003 0.66722671772997 0.75000000000000 15.999 20 O 0.99948463382407 0.10807000838905 0.90609857197575 15.999 21 O 0.16775988836098 0.58256045548403 0.25151707052391 15.999 22 O 0.83224011163902 0.41743954451597 0.74848292947609 15.999 23 O 0.00051536617593 0.89192999161095 0.09390142802425 15.999 24 O 0.66722671772997 0.33277328227003 0.25000000000000 15.999 25 O 0.10807000838905 0.99948463382407 0.40609857197575 15.999 26 O 0.52885956030994 0.72019539228914 0.58603692332771 15.999 27 O 0.63258302598581 0.83399361419877 0.90054152424394 15.999 28 O 0.41743954451597 0.83224011163902 0.24848292947609 15.999 29 O 0.72019539228914 0.52885956030994 0.08603692332771 15.999 30 O 0.83399361419877 0.63258302598581 0.40054152424394 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 11.895133010294126 0.000000000000000 0.000000000000000 b 0.000000000000000 6.886452350000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): *1 Ca 0.75000000000000 0.25000000000000 0.50000000000000 40.078 > 1 *2 Ca 0.41435712917590 0.25490309699193 0.50063085495556 40.078 > 2 3 Ca 0.58564287082411 0.25490309699193 0.99936914504444 40.078 > 3 4 Ca 0.41435712917590 0.74509690300807 0.00063085495556 40.078 > 4 5 Ca 0.58564287082411 0.74509690300807 0.49936914504444 40.078 > 5 6 Ca 0.75000000000000 0.75000000000000 0.00000000000000 40.078 > 6 7 Ca 0.25000000000000 0.75000000000000 0.50000000000000 40.078 > 1 8 Ca 0.91435712917589 0.75490309699193 0.50063085495556 40.078 > 2 9 Ca 0.08564287082411 0.75490309699193 0.99936914504444 40.078 > 3 10 Ca 0.91435712917589 0.24509690300807 0.00063085495556 40.078 > 4 11 Ca 0.08564287082411 0.24509690300807 0.49936914504444 40.078 > 5 12 Ca 0.25000000000000 0.25000000000000 0.00000000000000 40.078 > 6 *13 Ge 0.36455035443636 0.05390485581170 0.75456704215236 72.640 > 7 *14 Ge 0.50000000000000 0.64394080353653 0.75000000000000 72.640 > 8 15 Ge 0.36455035443636 0.94609514418830 0.25456704215235 72.640 > 9 16 Ge 0.63544964556364 0.05390485581170 0.74543295784764 72.640 > 10 17 Ge 0.50000000000000 0.35605919646347 0.25000000000000 72.640 > 11 18 Ge 0.63544964556364 0.94609514418830 0.24543295784764 72.640 > 12 19 Ge 0.86455035443636 0.55390485581170 0.75456704215236 72.640 > 7 20 Ge 0.00000000000000 0.14394080353653 0.75000000000000 72.640 > 8 21 Ge 0.86455035443636 0.44609514418830 0.25456704215235 72.640 > 9 22 Ge 0.13544964556364 0.55390485581170 0.74543295784764 72.640 > 10 23 Ge 0.00000000000000 0.85605919646347 0.25000000000000 72.640 > 11 24 Ge 0.13544964556364 0.44609514418830 0.24543295784764 72.640 > 12 *25 O 0.26671167990771 0.10070529410648 0.59945847575606 15.999 > 13 *26 O 0.37547252370046 0.09566791598960 0.91396307667229 15.999 > 14 *27 O 0.37516017192251 0.79259971643847 0.75151707052391 15.999 > 15 28 O 0.26671167990771 0.89929470589352 0.09945847575606 15.999 > 16 29 O 0.37547252370046 0.90433208401040 0.41396307667229 15.999 > 17 *30 O 0.44622267889344 0.55429268728249 0.59390142802425 15.999 > 18 *31 O 0.50000000000000 0.16722671772997 0.75000000000000 15.999 > 19 32 O 0.55377732110656 0.55429268728249 0.90609857197575 15.999 > 20 33 O 0.37516017192251 0.20740028356153 0.25151707052391 15.999 > 21 34 O 0.62483982807749 0.79259971643847 0.74848292947609 15.999 > 22 35 O 0.44622267889344 0.44570731271751 0.09390142802425 15.999 > 23 36 O 0.50000000000000 0.83277328227003 0.25000000000000 15.999 > 24 37 O 0.55377732110656 0.44570731271751 0.40609857197575 15.999 > 25 38 O 0.62452747629954 0.09566791598960 0.58603692332771 15.999 > 26 39 O 0.73328832009229 0.10070529410648 0.90054152424394 15.999 > 27 40 O 0.62483982807749 0.20740028356153 0.24848292947609 15.999 > 28 41 O 0.62452747629954 0.90433208401040 0.08603692332771 15.999 > 29 42 O 0.73328832009229 0.89929470589352 0.40054152424394 15.999 > 30 43 O 0.76671167990771 0.60070529410648 0.59945847575606 15.999 > 13 44 O 0.87547252370046 0.59566791598960 0.91396307667229 15.999 > 14 45 O 0.87516017192251 0.29259971643847 0.75151707052391 15.999 > 15 46 O 0.76671167990771 0.39929470589352 0.09945847575606 15.999 > 16 47 O 0.87547252370046 0.40433208401040 0.41396307667229 15.999 > 17 48 O 0.94622267889344 0.05429268728249 0.59390142802425 15.999 > 18 49 O 0.00000000000000 0.66722671772997 0.75000000000000 15.999 > 19 50 O 0.05377732110656 0.05429268728249 0.90609857197575 15.999 > 20 51 O 0.87516017192251 0.70740028356153 0.25151707052391 15.999 > 21 52 O 0.12483982807749 0.29259971643847 0.74848292947609 15.999 > 22 53 O 0.94622267889344 0.94570731271751 0.09390142802425 15.999 > 23 54 O 0.00000000000000 0.33277328227003 0.25000000000000 15.999 > 24 55 O 0.05377732110656 0.94570731271751 0.40609857197575 15.999 > 25 56 O 0.12452747629954 0.59566791598960 0.58603692332771 15.999 > 26 57 O 0.23328832009229 0.60070529410648 0.90054152424394 15.999 > 27 58 O 0.12483982807749 0.70740028356153 0.24848292947609 15.999 > 28 59 O 0.12452747629954 0.40433208401040 0.08603692332771 15.999 > 29 60 O 0.23328832009229 0.39929470589352 0.40054152424394 15.999 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.895133010294126 0.000000000000000 0.000000000000000 b 0.000000000000000 13.772904700000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): *1 Ca 0.75000000000000 0.12500000000000 0.50000000000000 40.078 > 1 2 Ca 0.75000000000000 0.62500000000000 0.50000000000000 40.078 > 1 *3 Ca 0.41435712917590 0.12745154849596 0.50063085495556 40.078 > 2 4 Ca 0.41435712917590 0.62745154849596 0.50063085495556 40.078 > 2 5 Ca 0.58564287082411 0.12745154849596 0.99936914504444 40.078 > 3 6 Ca 0.58564287082411 0.62745154849596 0.99936914504444 40.078 > 3 7 Ca 0.41435712917590 0.37254845150404 0.00063085495556 40.078 > 4 8 Ca 0.41435712917590 0.87254845150404 0.00063085495556 40.078 > 4 9 Ca 0.58564287082411 0.37254845150404 0.49936914504444 40.078 > 5 10 Ca 0.58564287082411 0.87254845150404 0.49936914504444 40.078 > 5 11 Ca 0.75000000000000 0.37500000000000 0.00000000000000 40.078 > 6 12 Ca 0.75000000000000 0.87500000000000 0.00000000000000 40.078 > 6 13 Ca 0.25000000000000 0.37500000000000 0.50000000000000 40.078 > 1 14 Ca 0.25000000000000 0.87500000000000 0.50000000000000 40.078 > 1 15 Ca 0.91435712917589 0.37745154849596 0.50063085495556 40.078 > 2 16 Ca 0.91435712917589 0.87745154849596 0.50063085495556 40.078 > 2 17 Ca 0.08564287082411 0.37745154849596 0.99936914504444 40.078 > 3 18 Ca 0.08564287082411 0.87745154849596 0.99936914504444 40.078 > 3 19 Ca 0.91435712917589 0.12254845150404 0.00063085495556 40.078 > 4 20 Ca 0.91435712917589 0.62254845150404 0.00063085495556 40.078 > 4 21 Ca 0.08564287082411 0.12254845150404 0.49936914504444 40.078 > 5 22 Ca 0.08564287082411 0.62254845150404 0.49936914504444 40.078 > 5 23 Ca 0.25000000000000 0.12500000000000 0.00000000000000 40.078 > 6 24 Ca 0.25000000000000 0.62500000000000 0.00000000000000 40.078 > 6 *25 Ge 0.36455035443636 0.02695242790585 0.75456704215236 72.640 > 7 26 Ge 0.36455035443636 0.52695242790585 0.75456704215236 72.640 > 7 *27 Ge 0.50000000000000 0.32197040176827 0.75000000000000 72.640 > 8 28 Ge 0.50000000000000 0.82197040176827 0.75000000000000 72.640 > 8 29 Ge 0.36455035443636 0.47304757209415 0.25456704215235 72.640 > 9 30 Ge 0.36455035443636 0.97304757209415 0.25456704215235 72.640 > 9 31 Ge 0.63544964556364 0.02695242790585 0.74543295784764 72.640 > 10 32 Ge 0.63544964556364 0.52695242790585 0.74543295784764 72.640 > 10 33 Ge 0.50000000000000 0.17802959823173 0.25000000000000 72.640 > 11 34 Ge 0.50000000000000 0.67802959823173 0.25000000000000 72.640 > 11 35 Ge 0.63544964556364 0.47304757209415 0.24543295784764 72.640 > 12 36 Ge 0.63544964556364 0.97304757209415 0.24543295784764 72.640 > 12 37 Ge 0.86455035443636 0.27695242790585 0.75456704215236 72.640 > 7 38 Ge 0.86455035443636 0.77695242790585 0.75456704215236 72.640 > 7 39 Ge 0.00000000000000 0.07197040176827 0.75000000000000 72.640 > 8 40 Ge 0.00000000000000 0.57197040176827 0.75000000000000 72.640 > 8 41 Ge 0.86455035443636 0.22304757209415 0.25456704215235 72.640 > 9 42 Ge 0.86455035443636 0.72304757209415 0.25456704215235 72.640 > 9 43 Ge 0.13544964556364 0.27695242790585 0.74543295784764 72.640 > 10 44 Ge 0.13544964556364 0.77695242790585 0.74543295784764 72.640 > 10 45 Ge 0.00000000000000 0.42802959823173 0.25000000000000 72.640 > 11 46 Ge 0.00000000000000 0.92802959823173 0.25000000000000 72.640 > 11 47 Ge 0.13544964556364 0.22304757209415 0.24543295784764 72.640 > 12 48 Ge 0.13544964556364 0.72304757209415 0.24543295784764 72.640 > 12 *49 O 0.26671167990771 0.05035264705324 0.59945847575606 15.999 > 13 50 O 0.26671167990771 0.55035264705324 0.59945847575606 15.999 > 13 *51 O 0.37547252370046 0.04783395799480 0.91396307667229 15.999 > 14 52 O 0.37547252370046 0.54783395799480 0.91396307667229 15.999 > 14 *53 O 0.37516017192251 0.39629985821924 0.75151707052391 15.999 > 15 54 O 0.37516017192251 0.89629985821924 0.75151707052391 15.999 > 15 55 O 0.26671167990771 0.44964735294676 0.09945847575606 15.999 > 16 56 O 0.26671167990771 0.94964735294676 0.09945847575606 15.999 > 16 57 O 0.37547252370046 0.45216604200520 0.41396307667229 15.999 > 17 58 O 0.37547252370046 0.95216604200520 0.41396307667229 15.999 > 17 *59 O 0.44622267889344 0.27714634364124 0.59390142802425 15.999 > 18 60 O 0.44622267889344 0.77714634364124 0.59390142802425 15.999 > 18 *61 O 0.50000000000000 0.08361335886498 0.75000000000000 15.999 > 19 62 O 0.50000000000000 0.58361335886498 0.75000000000000 15.999 > 19 63 O 0.55377732110656 0.27714634364124 0.90609857197575 15.999 > 20 64 O 0.55377732110656 0.77714634364124 0.90609857197575 15.999 > 20 65 O 0.37516017192251 0.10370014178076 0.25151707052391 15.999 > 21 66 O 0.37516017192251 0.60370014178076 0.25151707052391 15.999 > 21 67 O 0.62483982807749 0.39629985821924 0.74848292947609 15.999 > 22 68 O 0.62483982807749 0.89629985821924 0.74848292947609 15.999 > 22 69 O 0.44622267889344 0.22285365635876 0.09390142802425 15.999 > 23 70 O 0.44622267889344 0.72285365635876 0.09390142802425 15.999 > 23 71 O 0.50000000000000 0.41638664113502 0.25000000000000 15.999 > 24 72 O 0.50000000000000 0.91638664113502 0.25000000000000 15.999 > 24 73 O 0.55377732110656 0.22285365635876 0.40609857197575 15.999 > 25 74 O 0.55377732110656 0.72285365635876 0.40609857197575 15.999 > 25 75 O 0.62452747629954 0.04783395799480 0.58603692332771 15.999 > 26 76 O 0.62452747629954 0.54783395799480 0.58603692332771 15.999 > 26 77 O 0.73328832009229 0.05035264705324 0.90054152424394 15.999 > 27 78 O 0.73328832009229 0.55035264705324 0.90054152424394 15.999 > 27 79 O 0.62483982807749 0.10370014178076 0.24848292947609 15.999 > 28 80 O 0.62483982807749 0.60370014178076 0.24848292947609 15.999 > 28 81 O 0.62452747629954 0.45216604200520 0.08603692332771 15.999 > 29 82 O 0.62452747629954 0.95216604200520 0.08603692332771 15.999 > 29 83 O 0.73328832009229 0.44964735294676 0.40054152424394 15.999 > 30 84 O 0.73328832009229 0.94964735294676 0.40054152424394 15.999 > 30 85 O 0.76671167990771 0.30035264705324 0.59945847575606 15.999 > 13 86 O 0.76671167990771 0.80035264705324 0.59945847575606 15.999 > 13 87 O 0.87547252370046 0.29783395799480 0.91396307667229 15.999 > 14 88 O 0.87547252370046 0.79783395799480 0.91396307667229 15.999 > 14 89 O 0.87516017192251 0.14629985821924 0.75151707052391 15.999 > 15 90 O 0.87516017192251 0.64629985821924 0.75151707052391 15.999 > 15 91 O 0.76671167990771 0.19964735294676 0.09945847575606 15.999 > 16 92 O 0.76671167990771 0.69964735294676 0.09945847575606 15.999 > 16 93 O 0.87547252370046 0.20216604200520 0.41396307667229 15.999 > 17 94 O 0.87547252370046 0.70216604200520 0.41396307667229 15.999 > 17 95 O 0.94622267889344 0.02714634364124 0.59390142802425 15.999 > 18 96 O 0.94622267889344 0.52714634364124 0.59390142802425 15.999 > 18 97 O 0.00000000000000 0.33361335886498 0.75000000000000 15.999 > 19 98 O 0.00000000000000 0.83361335886498 0.75000000000000 15.999 > 19 99 O 0.05377732110656 0.02714634364124 0.90609857197575 15.999 > 20 100 O 0.05377732110656 0.52714634364124 0.90609857197575 15.999 > 20 101 O 0.87516017192251 0.35370014178076 0.25151707052391 15.999 > 21 102 O 0.87516017192251 0.85370014178076 0.25151707052391 15.999 > 21 103 O 0.12483982807749 0.14629985821924 0.74848292947609 15.999 > 22 104 O 0.12483982807749 0.64629985821924 0.74848292947609 15.999 > 22 105 O 0.94622267889344 0.47285365635876 0.09390142802425 15.999 > 23 106 O 0.94622267889344 0.97285365635876 0.09390142802425 15.999 > 23 107 O 0.00000000000000 0.16638664113502 0.25000000000000 15.999 > 24 108 O 0.00000000000000 0.66638664113502 0.25000000000000 15.999 > 24 109 O 0.05377732110656 0.47285365635876 0.40609857197575 15.999 > 25 110 O 0.05377732110656 0.97285365635876 0.40609857197575 15.999 > 25 111 O 0.12452747629954 0.29783395799480 0.58603692332771 15.999 > 26 112 O 0.12452747629954 0.79783395799480 0.58603692332771 15.999 > 26 113 O 0.23328832009229 0.30035264705324 0.90054152424394 15.999 > 27 114 O 0.23328832009229 0.80035264705324 0.90054152424394 15.999 > 27 115 O 0.12483982807749 0.35370014178076 0.24848292947609 15.999 > 28 116 O 0.12483982807749 0.85370014178076 0.24848292947609 15.999 > 28 117 O 0.12452747629954 0.20216604200520 0.08603692332771 15.999 > 29 118 O 0.12452747629954 0.70216604200520 0.08603692332771 15.999 > 29 119 O 0.23328832009229 0.19964735294676 0.40054152424394 15.999 > 30 120 O 0.23328832009229 0.69964735294676 0.40054152424394 15.999 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1499925 0.0000000 0.0149495 0.0000000 3.1490662 0.0000000 0.0149477 0.0000000 3.4955750 -------------------------- Born effective charges -------------------------- 1 Ca 2.6371938 0.2827550 0.0957420 0.2915269 2.2705684 0.0409834 -0.1306825 -0.1011035 2.5228030 2 Ca 2.3454676 -0.1460737 -0.0035003 -0.1482867 2.5197614 -0.0176056 0.1021927 0.0524880 2.5517825 3 Ca 2.3454676 0.1460737 -0.0035003 0.1482867 2.5197614 0.0176056 0.1021927 -0.0524880 2.5517825 4 Ca 2.3454676 0.1460737 -0.0035003 0.1482867 2.5197614 0.0176056 0.1021927 -0.0524880 2.5517825 5 Ca 2.3454676 -0.1460737 -0.0035003 -0.1482867 2.5197614 -0.0176056 0.1021927 0.0524880 2.5517825 6 Ca 2.6371938 -0.2827550 0.0957420 -0.2915269 2.2705684 -0.0409834 -0.1306825 0.1011035 2.5228030 7 Ge 2.9532369 -0.0943734 -0.0224309 -0.0907996 2.8451732 -0.0037170 -0.0004532 -0.0076945 3.1245092 8 Ge 2.7752763 0.0000000 0.0092003 0.0000000 3.0165644 -0.0000000 0.0083821 0.0000000 3.0981826 9 Ge 2.9532369 0.0943734 -0.0224309 0.0907996 2.8451732 0.0037170 -0.0004532 0.0076945 3.1245092 10 Ge 2.9532369 0.0943734 -0.0224309 0.0907996 2.8451732 0.0037170 -0.0004532 0.0076945 3.1245092 11 Ge 2.7752763 0.0000000 0.0092003 0.0000000 3.0165644 -0.0000000 0.0083821 0.0000000 3.0981826 12 Ge 2.9532369 -0.0943734 -0.0224309 -0.0907996 2.8451732 -0.0037170 -0.0004532 -0.0076945 3.1245092 13 O -1.8126227 0.2656444 -0.5089382 0.2057045 -1.5284751 0.2920026 -0.2925140 0.1724438 -2.0390748 14 O -1.7842244 0.2144640 0.4844224 0.2133772 -1.5429561 -0.2827932 0.2684819 -0.1585365 -2.1560505 15 O -1.6596001 0.5956952 0.0087968 0.5931940 -2.3436541 -0.0116323 0.0014668 -0.0136944 -1.5008785 16 O -1.8126227 -0.2656444 -0.5089382 -0.2057045 -1.5284751 -0.2920026 -0.2925140 -0.1724438 -2.0390748 17 O -1.7842244 -0.2144640 0.4844224 -0.2133772 -1.5429561 0.2827932 0.2684819 0.1585365 -2.1560505 18 O -1.4093527 -0.0306063 -0.0270650 0.0210506 -1.9371361 -0.5574096 -0.0238186 -0.3276318 -2.0417562 19 O -2.6782792 0.0000000 0.0324882 0.0000000 -1.3125590 -0.0000000 0.0115892 0.0000000 -1.4980490 20 O -1.4093527 0.0306063 -0.0270650 -0.0210506 -1.9371361 0.5574096 -0.0238186 0.3276318 -2.0417562 21 O -1.6596001 -0.5956952 0.0087968 -0.5931940 -2.3436541 0.0116323 0.0014668 0.0136944 -1.5008785 22 O -1.6596001 -0.5956952 0.0087968 -0.5931940 -2.3436541 0.0116323 0.0014668 0.0136944 -1.5008785 23 O -1.4093527 0.0306063 -0.0270650 -0.0210506 -1.9371361 0.5574096 -0.0238186 0.3276318 -2.0417562 24 O -2.6782792 0.0000000 0.0324882 0.0000000 -1.3125590 -0.0000000 0.0115892 0.0000000 -1.4980490 25 O -1.4093527 -0.0306063 -0.0270650 0.0210506 -1.9371361 -0.5574096 -0.0238186 -0.3276318 -2.0417562 26 O -1.7842244 -0.2144640 0.4844224 -0.2133772 -1.5429561 0.2827932 0.2684819 0.1585365 -2.1560505 27 O -1.8126227 -0.2656444 -0.5089382 -0.2057045 -1.5284751 -0.2920026 -0.2925140 -0.1724438 -2.0390748 28 O -1.6596001 0.5956952 0.0087968 0.5931940 -2.3436541 -0.0116323 0.0014668 -0.0136944 -1.5008785 29 O -1.7842244 0.2144640 0.4844224 0.2133772 -1.5429561 -0.2827932 0.2684819 -0.1585365 -2.1560505 30 O -1.8126227 0.2656444 -0.5089382 0.2057045 -1.5284751 0.2920026 -0.2925140 0.1724438 -2.0390748 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.193 Solver_block: 200 / 960 - Time: 1.136 Solver_block: 300 / 960 - Time: 1.121 Solver_block: 400 / 960 - Time: 1.139 Solver_block: 500 / 960 - Time: 1.118 Solver_block: 600 / 960 - Time: 1.131 Solver_block: 700 / 960 - Time: 1.127 Solver_block: 800 / 960 - Time: 1.131 Solver_block: 900 / 960 - Time: 1.120 Solver_block: 960 / 960 - Time: 0.749 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 11.252 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 360/360 Permutation basis: 19854/19854 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4202 Number of blocks in projector: 4202 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: 918 Use submatrix version of eigh solver. (1) Block: 500 / 918 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 918 / 918 (1) 405 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 886 Use submatrix version of eigh solver. (1) Block: 500 / 886 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 886 / 886 (1) 376 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 504 Use submatrix version of eigh solver. (1) Block: 504 / 504 (2) Block: 250 / 504 (2) 241 eigenvectors found. (2) Block: 504 / 504 (2) 245 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 495 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4202, 4130), data: False |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (504, 495), data: False |-- (504, 495), data: False |-- (504, 9), data: (504, 18) @ (18, 9) |-- (254, 245), data: True |-- (250, 241), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (886, 872), data: False |-- (886, 10), data: (886, 24) @ (24, 10) |-- (386, 376), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (918, 901), data: False |-- (918, 13), data: (918, 30) @ (30, 13) |-- (418, 405), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 03:09:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:09:14]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947566505147063 -3.443226175000000 0.000000000000000 b 5.947566505147063 3.443226175000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.15945403218397 0.66926022616782 0.50063085495556 40.078 3 Ca 0.33073977383218 0.84054596781603 0.99936914504444 40.078 4 Ca 0.66926022616782 0.15945403218397 0.00063085495556 40.078 5 Ca 0.84054596781603 0.33073977383218 0.49936914504444 40.078 6 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 7 Ge 0.31064549862466 0.41845521024807 0.75456704215236 72.640 8 Ge 0.85605919646347 0.14394080353653 0.75000000000000 72.640 9 Ge 0.41845521024806 0.31064549862466 0.25456704215235 72.640 10 Ge 0.58154478975194 0.68935450137534 0.74543295784764 72.640 11 Ge 0.14394080353653 0.85605919646347 0.25000000000000 72.640 12 Ge 0.68935450137534 0.58154478975194 0.24543295784764 72.640 13 O 0.16600638580123 0.36741697401418 0.59945847575606 15.999 14 O 0.27980460771086 0.47114043969006 0.91396307667229 15.999 15 O 0.58256045548403 0.16775988836098 0.75151707052391 15.999 16 O 0.36741697401418 0.16600638580123 0.09945847575606 15.999 17 O 0.47114043969006 0.27980460771086 0.41396307667229 15.999 18 O 0.89192999161095 0.00051536617593 0.59390142802425 15.999 19 O 0.33277328227003 0.66722671772997 0.75000000000000 15.999 20 O 0.99948463382407 0.10807000838905 0.90609857197575 15.999 21 O 0.16775988836098 0.58256045548403 0.25151707052391 15.999 22 O 0.83224011163902 0.41743954451597 0.74848292947609 15.999 23 O 0.00051536617593 0.89192999161095 0.09390142802425 15.999 24 O 0.66722671772997 0.33277328227003 0.25000000000000 15.999 25 O 0.10807000838905 0.99948463382407 0.40609857197575 15.999 26 O 0.52885956030994 0.72019539228914 0.58603692332771 15.999 27 O 0.63258302598581 0.83399361419877 0.90054152424394 15.999 28 O 0.41743954451597 0.83224011163902 0.24848292947609 15.999 29 O 0.72019539228914 0.52885956030994 0.08603692332771 15.999 30 O 0.83399361419877 0.63258302598581 0.40054152424394 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.895133010294126 0.000000000000000 0.000000000000000 b 0.000000000000000 13.772904700000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): 1 Ca 0.75000000000000 0.12500000000000 0.50000000000000 40.078 > 1 2 Ca 0.75000000000000 0.62500000000000 0.50000000000000 40.078 > 1 3 Ca 0.41435712917590 0.12745154849596 0.50063085495556 40.078 > 3 4 Ca 0.41435712917590 0.62745154849596 0.50063085495556 40.078 > 3 5 Ca 0.58564287082411 0.12745154849596 0.99936914504444 40.078 > 5 6 Ca 0.58564287082411 0.62745154849596 0.99936914504444 40.078 > 5 7 Ca 0.41435712917590 0.37254845150404 0.00063085495556 40.078 > 7 8 Ca 0.41435712917590 0.87254845150404 0.00063085495556 40.078 > 7 9 Ca 0.58564287082411 0.37254845150404 0.49936914504444 40.078 > 9 10 Ca 0.58564287082411 0.87254845150404 0.49936914504444 40.078 > 9 11 Ca 0.75000000000000 0.37500000000000 0.00000000000000 40.078 > 11 12 Ca 0.75000000000000 0.87500000000000 0.00000000000000 40.078 > 11 13 Ca 0.25000000000000 0.37500000000000 0.50000000000000 40.078 > 1 14 Ca 0.25000000000000 0.87500000000000 0.50000000000000 40.078 > 1 15 Ca 0.91435712917589 0.37745154849596 0.50063085495556 40.078 > 3 16 Ca 0.91435712917589 0.87745154849596 0.50063085495556 40.078 > 3 17 Ca 0.08564287082411 0.37745154849596 0.99936914504444 40.078 > 5 18 Ca 0.08564287082411 0.87745154849596 0.99936914504444 40.078 > 5 19 Ca 0.91435712917589 0.12254845150404 0.00063085495556 40.078 > 7 20 Ca 0.91435712917589 0.62254845150404 0.00063085495556 40.078 > 7 21 Ca 0.08564287082411 0.12254845150404 0.49936914504444 40.078 > 9 22 Ca 0.08564287082411 0.62254845150404 0.49936914504444 40.078 > 9 23 Ca 0.25000000000000 0.12500000000000 0.00000000000000 40.078 > 11 24 Ca 0.25000000000000 0.62500000000000 0.00000000000000 40.078 > 11 25 Ge 0.36455035443636 0.02695242790585 0.75456704215236 72.640 > 25 26 Ge 0.36455035443636 0.52695242790585 0.75456704215236 72.640 > 25 27 Ge 0.50000000000000 0.32197040176827 0.75000000000000 72.640 > 27 28 Ge 0.50000000000000 0.82197040176827 0.75000000000000 72.640 > 27 29 Ge 0.36455035443636 0.47304757209415 0.25456704215235 72.640 > 29 30 Ge 0.36455035443636 0.97304757209415 0.25456704215235 72.640 > 29 31 Ge 0.63544964556364 0.02695242790585 0.74543295784764 72.640 > 31 32 Ge 0.63544964556364 0.52695242790585 0.74543295784764 72.640 > 31 33 Ge 0.50000000000000 0.17802959823173 0.25000000000000 72.640 > 33 34 Ge 0.50000000000000 0.67802959823173 0.25000000000000 72.640 > 33 35 Ge 0.63544964556364 0.47304757209415 0.24543295784764 72.640 > 35 36 Ge 0.63544964556364 0.97304757209415 0.24543295784764 72.640 > 35 37 Ge 0.86455035443636 0.27695242790585 0.75456704215236 72.640 > 25 38 Ge 0.86455035443636 0.77695242790585 0.75456704215236 72.640 > 25 39 Ge 0.00000000000000 0.07197040176827 0.75000000000000 72.640 > 27 40 Ge 0.00000000000000 0.57197040176827 0.75000000000000 72.640 > 27 41 Ge 0.86455035443636 0.22304757209415 0.25456704215235 72.640 > 29 42 Ge 0.86455035443636 0.72304757209415 0.25456704215235 72.640 > 29 43 Ge 0.13544964556364 0.27695242790585 0.74543295784764 72.640 > 31 44 Ge 0.13544964556364 0.77695242790585 0.74543295784764 72.640 > 31 45 Ge 0.00000000000000 0.42802959823173 0.25000000000000 72.640 > 33 46 Ge 0.00000000000000 0.92802959823173 0.25000000000000 72.640 > 33 47 Ge 0.13544964556364 0.22304757209415 0.24543295784764 72.640 > 35 48 Ge 0.13544964556364 0.72304757209415 0.24543295784764 72.640 > 35 49 O 0.26671167990771 0.05035264705324 0.59945847575606 15.999 > 49 50 O 0.26671167990771 0.55035264705324 0.59945847575606 15.999 > 49 51 O 0.37547252370046 0.04783395799480 0.91396307667229 15.999 > 51 52 O 0.37547252370046 0.54783395799480 0.91396307667229 15.999 > 51 53 O 0.37516017192251 0.39629985821924 0.75151707052391 15.999 > 53 54 O 0.37516017192251 0.89629985821924 0.75151707052391 15.999 > 53 55 O 0.26671167990771 0.44964735294676 0.09945847575606 15.999 > 55 56 O 0.26671167990771 0.94964735294676 0.09945847575606 15.999 > 55 57 O 0.37547252370046 0.45216604200520 0.41396307667229 15.999 > 57 58 O 0.37547252370046 0.95216604200520 0.41396307667229 15.999 > 57 59 O 0.44622267889344 0.27714634364124 0.59390142802425 15.999 > 59 60 O 0.44622267889344 0.77714634364124 0.59390142802425 15.999 > 59 61 O 0.50000000000000 0.08361335886498 0.75000000000000 15.999 > 61 62 O 0.50000000000000 0.58361335886498 0.75000000000000 15.999 > 61 63 O 0.55377732110656 0.27714634364124 0.90609857197575 15.999 > 63 64 O 0.55377732110656 0.77714634364124 0.90609857197575 15.999 > 63 65 O 0.37516017192251 0.10370014178076 0.25151707052391 15.999 > 65 66 O 0.37516017192251 0.60370014178076 0.25151707052391 15.999 > 65 67 O 0.62483982807749 0.39629985821924 0.74848292947609 15.999 > 67 68 O 0.62483982807749 0.89629985821924 0.74848292947609 15.999 > 67 69 O 0.44622267889344 0.22285365635876 0.09390142802425 15.999 > 69 70 O 0.44622267889344 0.72285365635876 0.09390142802425 15.999 > 69 71 O 0.50000000000000 0.41638664113502 0.25000000000000 15.999 > 71 72 O 0.50000000000000 0.91638664113502 0.25000000000000 15.999 > 71 73 O 0.55377732110656 0.22285365635876 0.40609857197575 15.999 > 73 74 O 0.55377732110656 0.72285365635876 0.40609857197575 15.999 > 73 75 O 0.62452747629954 0.04783395799480 0.58603692332771 15.999 > 75 76 O 0.62452747629954 0.54783395799480 0.58603692332771 15.999 > 75 77 O 0.73328832009229 0.05035264705324 0.90054152424394 15.999 > 77 78 O 0.73328832009229 0.55035264705324 0.90054152424394 15.999 > 77 79 O 0.62483982807749 0.10370014178076 0.24848292947609 15.999 > 79 80 O 0.62483982807749 0.60370014178076 0.24848292947609 15.999 > 79 81 O 0.62452747629954 0.45216604200520 0.08603692332771 15.999 > 81 82 O 0.62452747629954 0.95216604200520 0.08603692332771 15.999 > 81 83 O 0.73328832009229 0.44964735294676 0.40054152424394 15.999 > 83 84 O 0.73328832009229 0.94964735294676 0.40054152424394 15.999 > 83 85 O 0.76671167990771 0.30035264705324 0.59945847575606 15.999 > 49 86 O 0.76671167990771 0.80035264705324 0.59945847575606 15.999 > 49 87 O 0.87547252370046 0.29783395799480 0.91396307667229 15.999 > 51 88 O 0.87547252370046 0.79783395799480 0.91396307667229 15.999 > 51 89 O 0.87516017192251 0.14629985821924 0.75151707052391 15.999 > 53 90 O 0.87516017192251 0.64629985821924 0.75151707052391 15.999 > 53 91 O 0.76671167990771 0.19964735294676 0.09945847575606 15.999 > 55 92 O 0.76671167990771 0.69964735294676 0.09945847575606 15.999 > 55 93 O 0.87547252370046 0.20216604200520 0.41396307667229 15.999 > 57 94 O 0.87547252370046 0.70216604200520 0.41396307667229 15.999 > 57 95 O 0.94622267889344 0.02714634364124 0.59390142802425 15.999 > 59 96 O 0.94622267889344 0.52714634364124 0.59390142802425 15.999 > 59 97 O 0.00000000000000 0.33361335886498 0.75000000000000 15.999 > 61 98 O 0.00000000000000 0.83361335886498 0.75000000000000 15.999 > 61 99 O 0.05377732110656 0.02714634364124 0.90609857197575 15.999 > 63 100 O 0.05377732110656 0.52714634364124 0.90609857197575 15.999 > 63 101 O 0.87516017192251 0.35370014178076 0.25151707052391 15.999 > 65 102 O 0.87516017192251 0.85370014178076 0.25151707052391 15.999 > 65 103 O 0.12483982807749 0.14629985821924 0.74848292947609 15.999 > 67 104 O 0.12483982807749 0.64629985821924 0.74848292947609 15.999 > 67 105 O 0.94622267889344 0.47285365635876 0.09390142802425 15.999 > 69 106 O 0.94622267889344 0.97285365635876 0.09390142802425 15.999 > 69 107 O 0.00000000000000 0.16638664113502 0.25000000000000 15.999 > 71 108 O 0.00000000000000 0.66638664113502 0.25000000000000 15.999 > 71 109 O 0.05377732110656 0.47285365635876 0.40609857197575 15.999 > 73 110 O 0.05377732110656 0.97285365635876 0.40609857197575 15.999 > 73 111 O 0.12452747629954 0.29783395799480 0.58603692332771 15.999 > 75 112 O 0.12452747629954 0.79783395799480 0.58603692332771 15.999 > 75 113 O 0.23328832009229 0.30035264705324 0.90054152424394 15.999 > 77 114 O 0.23328832009229 0.80035264705324 0.90054152424394 15.999 > 77 115 O 0.12483982807749 0.35370014178076 0.24848292947609 15.999 > 79 116 O 0.12483982807749 0.85370014178076 0.24848292947609 15.999 > 79 117 O 0.12452747629954 0.20216604200520 0.08603692332771 15.999 > 81 118 O 0.12452747629954 0.70216604200520 0.08603692332771 15.999 > 81 119 O 0.23328832009229 0.19964735294676 0.40054152424394 15.999 > 83 120 O 0.23328832009229 0.69964735294676 0.40054152424394 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1499925 0.0000000 0.0149495 0.0000000 3.1490662 0.0000000 0.0149477 0.0000000 3.4955750 -------------------------- Born effective charges -------------------------- 1 Ca 2.6371938 0.2827550 0.0957420 0.2915269 2.2705684 0.0409834 -0.1306825 -0.1011035 2.5228030 2 Ca 2.3454676 -0.1460737 -0.0035003 -0.1482867 2.5197614 -0.0176056 0.1021927 0.0524880 2.5517825 3 Ca 2.3454676 0.1460737 -0.0035003 0.1482867 2.5197614 0.0176056 0.1021927 -0.0524880 2.5517825 4 Ca 2.3454676 0.1460737 -0.0035003 0.1482867 2.5197614 0.0176056 0.1021927 -0.0524880 2.5517825 5 Ca 2.3454676 -0.1460737 -0.0035003 -0.1482867 2.5197614 -0.0176056 0.1021927 0.0524880 2.5517825 6 Ca 2.6371938 -0.2827550 0.0957420 -0.2915269 2.2705684 -0.0409834 -0.1306825 0.1011035 2.5228030 7 Ge 2.9532369 -0.0943734 -0.0224309 -0.0907996 2.8451732 -0.0037170 -0.0004532 -0.0076945 3.1245092 8 Ge 2.7752763 0.0000000 0.0092003 0.0000000 3.0165644 -0.0000000 0.0083821 0.0000000 3.0981826 9 Ge 2.9532369 0.0943734 -0.0224309 0.0907996 2.8451732 0.0037170 -0.0004532 0.0076945 3.1245092 10 Ge 2.9532369 0.0943734 -0.0224309 0.0907996 2.8451732 0.0037170 -0.0004532 0.0076945 3.1245092 11 Ge 2.7752763 0.0000000 0.0092003 0.0000000 3.0165644 -0.0000000 0.0083821 0.0000000 3.0981826 12 Ge 2.9532369 -0.0943734 -0.0224309 -0.0907996 2.8451732 -0.0037170 -0.0004532 -0.0076945 3.1245092 13 O -1.8126227 0.2656444 -0.5089382 0.2057045 -1.5284751 0.2920026 -0.2925140 0.1724438 -2.0390748 14 O -1.7842244 0.2144640 0.4844224 0.2133772 -1.5429561 -0.2827932 0.2684819 -0.1585365 -2.1560505 15 O -1.6596001 0.5956952 0.0087968 0.5931940 -2.3436541 -0.0116323 0.0014668 -0.0136944 -1.5008785 16 O -1.8126227 -0.2656444 -0.5089382 -0.2057045 -1.5284751 -0.2920026 -0.2925140 -0.1724438 -2.0390748 17 O -1.7842244 -0.2144640 0.4844224 -0.2133772 -1.5429561 0.2827932 0.2684819 0.1585365 -2.1560505 18 O -1.4093527 -0.0306063 -0.0270650 0.0210506 -1.9371361 -0.5574096 -0.0238186 -0.3276318 -2.0417562 19 O -2.6782792 0.0000000 0.0324882 0.0000000 -1.3125590 -0.0000000 0.0115892 0.0000000 -1.4980490 20 O -1.4093527 0.0306063 -0.0270650 -0.0210506 -1.9371361 0.5574096 -0.0238186 0.3276318 -2.0417562 21 O -1.6596001 -0.5956952 0.0087968 -0.5931940 -2.3436541 0.0116323 0.0014668 0.0136944 -1.5008785 22 O -1.6596001 -0.5956952 0.0087968 -0.5931940 -2.3436541 0.0116323 0.0014668 0.0136944 -1.5008785 23 O -1.4093527 0.0306063 -0.0270650 -0.0210506 -1.9371361 0.5574096 -0.0238186 0.3276318 -2.0417562 24 O -2.6782792 0.0000000 0.0324882 0.0000000 -1.3125590 -0.0000000 0.0115892 0.0000000 -1.4980490 25 O -1.4093527 -0.0306063 -0.0270650 0.0210506 -1.9371361 -0.5574096 -0.0238186 -0.3276318 -2.0417562 26 O -1.7842244 -0.2144640 0.4844224 -0.2133772 -1.5429561 0.2827932 0.2684819 0.1585365 -2.1560505 27 O -1.8126227 -0.2656444 -0.5089382 -0.2057045 -1.5284751 -0.2920026 -0.2925140 -0.1724438 -2.0390748 28 O -1.6596001 0.5956952 0.0087968 0.5931940 -2.3436541 -0.0116323 0.0014668 -0.0136944 -1.5008785 29 O -1.7842244 0.2144640 0.4844224 0.2133772 -1.5429561 -0.2827932 0.2684819 -0.1585365 -2.1560505 30 O -1.8126227 0.2656444 -0.5089382 0.2057045 -1.5284751 0.2920026 -0.2925140 0.1724438 -2.0390748 ---------------------------------------------------------------------------- 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 3, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 27, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 51, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 53, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 59, 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] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0035 0.0000 0.0094] [ 0.0035 0.0000 -0.0094] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:09:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 03:09:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.947566505147063 -3.443226175000000 0.000000000000000 b 5.947566505147063 3.443226175000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): 1 Ca 0.50000000000000 0.00000000000000 0.50000000000000 40.078 2 Ca 0.15945403218397 0.66926022616782 0.50063085495556 40.078 3 Ca 0.33073977383218 0.84054596781603 0.99936914504444 40.078 4 Ca 0.66926022616782 0.15945403218397 0.00063085495556 40.078 5 Ca 0.84054596781603 0.33073977383218 0.49936914504444 40.078 6 Ca 0.00000000000000 0.50000000000000 0.00000000000000 40.078 7 Ge 0.31064549862466 0.41845521024807 0.75456704215236 72.640 8 Ge 0.85605919646347 0.14394080353653 0.75000000000000 72.640 9 Ge 0.41845521024806 0.31064549862466 0.25456704215235 72.640 10 Ge 0.58154478975194 0.68935450137534 0.74543295784764 72.640 11 Ge 0.14394080353653 0.85605919646347 0.25000000000000 72.640 12 Ge 0.68935450137534 0.58154478975194 0.24543295784764 72.640 13 O 0.16600638580123 0.36741697401418 0.59945847575606 15.999 14 O 0.27980460771086 0.47114043969006 0.91396307667229 15.999 15 O 0.58256045548403 0.16775988836098 0.75151707052391 15.999 16 O 0.36741697401418 0.16600638580123 0.09945847575606 15.999 17 O 0.47114043969006 0.27980460771086 0.41396307667229 15.999 18 O 0.89192999161095 0.00051536617593 0.59390142802425 15.999 19 O 0.33277328227003 0.66722671772997 0.75000000000000 15.999 20 O 0.99948463382407 0.10807000838905 0.90609857197575 15.999 21 O 0.16775988836098 0.58256045548403 0.25151707052391 15.999 22 O 0.83224011163902 0.41743954451597 0.74848292947609 15.999 23 O 0.00051536617593 0.89192999161095 0.09390142802425 15.999 24 O 0.66722671772997 0.33277328227003 0.25000000000000 15.999 25 O 0.10807000838905 0.99948463382407 0.40609857197575 15.999 26 O 0.52885956030994 0.72019539228914 0.58603692332771 15.999 27 O 0.63258302598581 0.83399361419877 0.90054152424394 15.999 28 O 0.41743954451597 0.83224011163902 0.24848292947609 15.999 29 O 0.72019539228914 0.52885956030994 0.08603692332771 15.999 30 O 0.83399361419877 0.63258302598581 0.40054152424394 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.895133010294126 0.000000000000000 0.000000000000000 b 0.000000000000000 13.772904700000000 0.000000000000000 c -3.872676299262872 0.000000000000000 10.238370226478459 Atomic positions (fractional): 1 Ca 0.75000000000000 0.12500000000000 0.50000000000000 40.078 > 1 2 Ca 0.75000000000000 0.62500000000000 0.50000000000000 40.078 > 1 3 Ca 0.41435712917590 0.12745154849596 0.50063085495556 40.078 > 3 4 Ca 0.41435712917590 0.62745154849596 0.50063085495556 40.078 > 3 5 Ca 0.58564287082411 0.12745154849596 0.99936914504444 40.078 > 5 6 Ca 0.58564287082411 0.62745154849596 0.99936914504444 40.078 > 5 7 Ca 0.41435712917590 0.37254845150404 0.00063085495556 40.078 > 7 8 Ca 0.41435712917590 0.87254845150404 0.00063085495556 40.078 > 7 9 Ca 0.58564287082411 0.37254845150404 0.49936914504444 40.078 > 9 10 Ca 0.58564287082411 0.87254845150404 0.49936914504444 40.078 > 9 11 Ca 0.75000000000000 0.37500000000000 0.00000000000000 40.078 > 11 12 Ca 0.75000000000000 0.87500000000000 0.00000000000000 40.078 > 11 13 Ca 0.25000000000000 0.37500000000000 0.50000000000000 40.078 > 1 14 Ca 0.25000000000000 0.87500000000000 0.50000000000000 40.078 > 1 15 Ca 0.91435712917589 0.37745154849596 0.50063085495556 40.078 > 3 16 Ca 0.91435712917589 0.87745154849596 0.50063085495556 40.078 > 3 17 Ca 0.08564287082411 0.37745154849596 0.99936914504444 40.078 > 5 18 Ca 0.08564287082411 0.87745154849596 0.99936914504444 40.078 > 5 19 Ca 0.91435712917589 0.12254845150404 0.00063085495556 40.078 > 7 20 Ca 0.91435712917589 0.62254845150404 0.00063085495556 40.078 > 7 21 Ca 0.08564287082411 0.12254845150404 0.49936914504444 40.078 > 9 22 Ca 0.08564287082411 0.62254845150404 0.49936914504444 40.078 > 9 23 Ca 0.25000000000000 0.12500000000000 0.00000000000000 40.078 > 11 24 Ca 0.25000000000000 0.62500000000000 0.00000000000000 40.078 > 11 25 Ge 0.36455035443636 0.02695242790585 0.75456704215236 72.640 > 25 26 Ge 0.36455035443636 0.52695242790585 0.75456704215236 72.640 > 25 27 Ge 0.50000000000000 0.32197040176827 0.75000000000000 72.640 > 27 28 Ge 0.50000000000000 0.82197040176827 0.75000000000000 72.640 > 27 29 Ge 0.36455035443636 0.47304757209415 0.25456704215235 72.640 > 29 30 Ge 0.36455035443636 0.97304757209415 0.25456704215235 72.640 > 29 31 Ge 0.63544964556364 0.02695242790585 0.74543295784764 72.640 > 31 32 Ge 0.63544964556364 0.52695242790585 0.74543295784764 72.640 > 31 33 Ge 0.50000000000000 0.17802959823173 0.25000000000000 72.640 > 33 34 Ge 0.50000000000000 0.67802959823173 0.25000000000000 72.640 > 33 35 Ge 0.63544964556364 0.47304757209415 0.24543295784764 72.640 > 35 36 Ge 0.63544964556364 0.97304757209415 0.24543295784764 72.640 > 35 37 Ge 0.86455035443636 0.27695242790585 0.75456704215236 72.640 > 25 38 Ge 0.86455035443636 0.77695242790585 0.75456704215236 72.640 > 25 39 Ge 0.00000000000000 0.07197040176827 0.75000000000000 72.640 > 27 40 Ge 0.00000000000000 0.57197040176827 0.75000000000000 72.640 > 27 41 Ge 0.86455035443636 0.22304757209415 0.25456704215235 72.640 > 29 42 Ge 0.86455035443636 0.72304757209415 0.25456704215235 72.640 > 29 43 Ge 0.13544964556364 0.27695242790585 0.74543295784764 72.640 > 31 44 Ge 0.13544964556364 0.77695242790585 0.74543295784764 72.640 > 31 45 Ge 0.00000000000000 0.42802959823173 0.25000000000000 72.640 > 33 46 Ge 0.00000000000000 0.92802959823173 0.25000000000000 72.640 > 33 47 Ge 0.13544964556364 0.22304757209415 0.24543295784764 72.640 > 35 48 Ge 0.13544964556364 0.72304757209415 0.24543295784764 72.640 > 35 49 O 0.26671167990771 0.05035264705324 0.59945847575606 15.999 > 49 50 O 0.26671167990771 0.55035264705324 0.59945847575606 15.999 > 49 51 O 0.37547252370046 0.04783395799480 0.91396307667229 15.999 > 51 52 O 0.37547252370046 0.54783395799480 0.91396307667229 15.999 > 51 53 O 0.37516017192251 0.39629985821924 0.75151707052391 15.999 > 53 54 O 0.37516017192251 0.89629985821924 0.75151707052391 15.999 > 53 55 O 0.26671167990771 0.44964735294676 0.09945847575606 15.999 > 55 56 O 0.26671167990771 0.94964735294676 0.09945847575606 15.999 > 55 57 O 0.37547252370046 0.45216604200520 0.41396307667229 15.999 > 57 58 O 0.37547252370046 0.95216604200520 0.41396307667229 15.999 > 57 59 O 0.44622267889344 0.27714634364124 0.59390142802425 15.999 > 59 60 O 0.44622267889344 0.77714634364124 0.59390142802425 15.999 > 59 61 O 0.50000000000000 0.08361335886498 0.75000000000000 15.999 > 61 62 O 0.50000000000000 0.58361335886498 0.75000000000000 15.999 > 61 63 O 0.55377732110656 0.27714634364124 0.90609857197575 15.999 > 63 64 O 0.55377732110656 0.77714634364124 0.90609857197575 15.999 > 63 65 O 0.37516017192251 0.10370014178076 0.25151707052391 15.999 > 65 66 O 0.37516017192251 0.60370014178076 0.25151707052391 15.999 > 65 67 O 0.62483982807749 0.39629985821924 0.74848292947609 15.999 > 67 68 O 0.62483982807749 0.89629985821924 0.74848292947609 15.999 > 67 69 O 0.44622267889344 0.22285365635876 0.09390142802425 15.999 > 69 70 O 0.44622267889344 0.72285365635876 0.09390142802425 15.999 > 69 71 O 0.50000000000000 0.41638664113502 0.25000000000000 15.999 > 71 72 O 0.50000000000000 0.91638664113502 0.25000000000000 15.999 > 71 73 O 0.55377732110656 0.22285365635876 0.40609857197575 15.999 > 73 74 O 0.55377732110656 0.72285365635876 0.40609857197575 15.999 > 73 75 O 0.62452747629954 0.04783395799480 0.58603692332771 15.999 > 75 76 O 0.62452747629954 0.54783395799480 0.58603692332771 15.999 > 75 77 O 0.73328832009229 0.05035264705324 0.90054152424394 15.999 > 77 78 O 0.73328832009229 0.55035264705324 0.90054152424394 15.999 > 77 79 O 0.62483982807749 0.10370014178076 0.24848292947609 15.999 > 79 80 O 0.62483982807749 0.60370014178076 0.24848292947609 15.999 > 79 81 O 0.62452747629954 0.45216604200520 0.08603692332771 15.999 > 81 82 O 0.62452747629954 0.95216604200520 0.08603692332771 15.999 > 81 83 O 0.73328832009229 0.44964735294676 0.40054152424394 15.999 > 83 84 O 0.73328832009229 0.94964735294676 0.40054152424394 15.999 > 83 85 O 0.76671167990771 0.30035264705324 0.59945847575606 15.999 > 49 86 O 0.76671167990771 0.80035264705324 0.59945847575606 15.999 > 49 87 O 0.87547252370046 0.29783395799480 0.91396307667229 15.999 > 51 88 O 0.87547252370046 0.79783395799480 0.91396307667229 15.999 > 51 89 O 0.87516017192251 0.14629985821924 0.75151707052391 15.999 > 53 90 O 0.87516017192251 0.64629985821924 0.75151707052391 15.999 > 53 91 O 0.76671167990771 0.19964735294676 0.09945847575606 15.999 > 55 92 O 0.76671167990771 0.69964735294676 0.09945847575606 15.999 > 55 93 O 0.87547252370046 0.20216604200520 0.41396307667229 15.999 > 57 94 O 0.87547252370046 0.70216604200520 0.41396307667229 15.999 > 57 95 O 0.94622267889344 0.02714634364124 0.59390142802425 15.999 > 59 96 O 0.94622267889344 0.52714634364124 0.59390142802425 15.999 > 59 97 O 0.00000000000000 0.33361335886498 0.75000000000000 15.999 > 61 98 O 0.00000000000000 0.83361335886498 0.75000000000000 15.999 > 61 99 O 0.05377732110656 0.02714634364124 0.90609857197575 15.999 > 63 100 O 0.05377732110656 0.52714634364124 0.90609857197575 15.999 > 63 101 O 0.87516017192251 0.35370014178076 0.25151707052391 15.999 > 65 102 O 0.87516017192251 0.85370014178076 0.25151707052391 15.999 > 65 103 O 0.12483982807749 0.14629985821924 0.74848292947609 15.999 > 67 104 O 0.12483982807749 0.64629985821924 0.74848292947609 15.999 > 67 105 O 0.94622267889344 0.47285365635876 0.09390142802425 15.999 > 69 106 O 0.94622267889344 0.97285365635876 0.09390142802425 15.999 > 69 107 O 0.00000000000000 0.16638664113502 0.25000000000000 15.999 > 71 108 O 0.00000000000000 0.66638664113502 0.25000000000000 15.999 > 71 109 O 0.05377732110656 0.47285365635876 0.40609857197575 15.999 > 73 110 O 0.05377732110656 0.97285365635876 0.40609857197575 15.999 > 73 111 O 0.12452747629954 0.29783395799480 0.58603692332771 15.999 > 75 112 O 0.12452747629954 0.79783395799480 0.58603692332771 15.999 > 75 113 O 0.23328832009229 0.30035264705324 0.90054152424394 15.999 > 77 114 O 0.23328832009229 0.80035264705324 0.90054152424394 15.999 > 77 115 O 0.12483982807749 0.35370014178076 0.24848292947609 15.999 > 79 116 O 0.12483982807749 0.85370014178076 0.24848292947609 15.999 > 79 117 O 0.12452747629954 0.20216604200520 0.08603692332771 15.999 > 81 118 O 0.12452747629954 0.70216604200520 0.08603692332771 15.999 > 81 119 O 0.23328832009229 0.19964735294676 0.40054152424394 15.999 > 83 120 O 0.23328832009229 0.69964735294676 0.40054152424394 15.999 > 83 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1499925 0.0000000 0.0149495 0.0000000 3.1490662 0.0000000 0.0149477 0.0000000 3.4955750 -------------------------- Born effective charges -------------------------- 1 Ca 2.6371938 0.2827550 0.0957420 0.2915269 2.2705684 0.0409834 -0.1306825 -0.1011035 2.5228030 2 Ca 2.3454676 -0.1460737 -0.0035003 -0.1482867 2.5197614 -0.0176056 0.1021927 0.0524880 2.5517825 3 Ca 2.3454676 0.1460737 -0.0035003 0.1482867 2.5197614 0.0176056 0.1021927 -0.0524880 2.5517825 4 Ca 2.3454676 0.1460737 -0.0035003 0.1482867 2.5197614 0.0176056 0.1021927 -0.0524880 2.5517825 5 Ca 2.3454676 -0.1460737 -0.0035003 -0.1482867 2.5197614 -0.0176056 0.1021927 0.0524880 2.5517825 6 Ca 2.6371938 -0.2827550 0.0957420 -0.2915269 2.2705684 -0.0409834 -0.1306825 0.1011035 2.5228030 7 Ge 2.9532369 -0.0943734 -0.0224309 -0.0907996 2.8451732 -0.0037170 -0.0004532 -0.0076945 3.1245092 8 Ge 2.7752763 0.0000000 0.0092003 0.0000000 3.0165644 -0.0000000 0.0083821 0.0000000 3.0981826 9 Ge 2.9532369 0.0943734 -0.0224309 0.0907996 2.8451732 0.0037170 -0.0004532 0.0076945 3.1245092 10 Ge 2.9532369 0.0943734 -0.0224309 0.0907996 2.8451732 0.0037170 -0.0004532 0.0076945 3.1245092 11 Ge 2.7752763 0.0000000 0.0092003 0.0000000 3.0165644 -0.0000000 0.0083821 0.0000000 3.0981826 12 Ge 2.9532369 -0.0943734 -0.0224309 -0.0907996 2.8451732 -0.0037170 -0.0004532 -0.0076945 3.1245092 13 O -1.8126227 0.2656444 -0.5089382 0.2057045 -1.5284751 0.2920026 -0.2925140 0.1724438 -2.0390748 14 O -1.7842244 0.2144640 0.4844224 0.2133772 -1.5429561 -0.2827932 0.2684819 -0.1585365 -2.1560505 15 O -1.6596001 0.5956952 0.0087968 0.5931940 -2.3436541 -0.0116323 0.0014668 -0.0136944 -1.5008785 16 O -1.8126227 -0.2656444 -0.5089382 -0.2057045 -1.5284751 -0.2920026 -0.2925140 -0.1724438 -2.0390748 17 O -1.7842244 -0.2144640 0.4844224 -0.2133772 -1.5429561 0.2827932 0.2684819 0.1585365 -2.1560505 18 O -1.4093527 -0.0306063 -0.0270650 0.0210506 -1.9371361 -0.5574096 -0.0238186 -0.3276318 -2.0417562 19 O -2.6782792 0.0000000 0.0324882 0.0000000 -1.3125590 -0.0000000 0.0115892 0.0000000 -1.4980490 20 O -1.4093527 0.0306063 -0.0270650 -0.0210506 -1.9371361 0.5574096 -0.0238186 0.3276318 -2.0417562 21 O -1.6596001 -0.5956952 0.0087968 -0.5931940 -2.3436541 0.0116323 0.0014668 0.0136944 -1.5008785 22 O -1.6596001 -0.5956952 0.0087968 -0.5931940 -2.3436541 0.0116323 0.0014668 0.0136944 -1.5008785 23 O -1.4093527 0.0306063 -0.0270650 -0.0210506 -1.9371361 0.5574096 -0.0238186 0.3276318 -2.0417562 24 O -2.6782792 0.0000000 0.0324882 0.0000000 -1.3125590 -0.0000000 0.0115892 0.0000000 -1.4980490 25 O -1.4093527 -0.0306063 -0.0270650 0.0210506 -1.9371361 -0.5574096 -0.0238186 -0.3276318 -2.0417562 26 O -1.7842244 -0.2144640 0.4844224 -0.2133772 -1.5429561 0.2827932 0.2684819 0.1585365 -2.1560505 27 O -1.8126227 -0.2656444 -0.5089382 -0.2057045 -1.5284751 -0.2920026 -0.2925140 -0.1724438 -2.0390748 28 O -1.6596001 0.5956952 0.0087968 0.5931940 -2.3436541 -0.0116323 0.0014668 -0.0136944 -1.5008785 29 O -1.7842244 0.2144640 0.4844224 0.2133772 -1.5429561 -0.2827932 0.2684819 -0.1585365 -2.1560505 30 O -1.8126227 0.2656444 -0.5089382 0.2057045 -1.5284751 0.2920026 -0.2925140 0.1724438 -2.0390748 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xyx) 0.00000000 (xyx) 0.00000000 (xxy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/115) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.443 ( 0.000 0.000 0.000) 0.000 1.793 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 2.687 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.039 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.463 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.256 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.461 ( 0.000 0.000 0.000) 0.000 4.669 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 4.884 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 0.000) 0.000 5.115 ( 0.000 0.000 0.000) 0.000 5.208 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.484 ( 0.000 0.000 0.000) 0.000 5.565 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.252 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.483 ( 0.000 0.000 0.000) 0.000 6.534 ( 0.000 0.000 0.000) 0.000 7.274 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.731 ( 0.000 0.000 0.000) 0.000 7.772 ( 0.000 0.000 0.000) 0.000 7.841 ( 0.000 0.000 0.000) 0.000 7.863 ( 0.000 0.000 0.000) 0.000 7.979 ( 0.000 0.000 0.000) 0.000 8.063 ( 0.000 0.000 0.000) 0.000 8.161 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 9.061 ( 0.000 0.000 0.000) 0.000 9.206 ( 0.000 0.000 0.000) 0.000 9.491 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.610 ( 0.000 0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 9.867 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 11.376 ( 0.000 0.000 0.000) 0.000 11.447 ( 0.000 0.000 0.000) 0.000 11.851 ( 0.000 0.000 0.000) 0.000 11.919 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 13.622 ( 0.000 0.000 0.000) 0.000 13.660 ( 0.000 0.000 0.000) 0.000 14.628 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 14.703 ( 0.000 0.000 0.000) 0.000 20.917 ( 0.000 0.000 0.000) 0.000 21.097 ( 0.000 0.000 0.000) 0.000 21.217 ( 0.000 0.000 0.000) 0.000 21.313 ( 0.000 0.000 0.000) 0.000 22.018 ( 0.000 0.000 0.000) 0.000 22.020 ( 0.000 0.000 0.000) 0.000 23.395 ( 0.000 0.000 0.000) 0.000 23.639 ( 0.000 0.000 0.000) 0.000 23.715 ( 0.000 0.000 0.000) 0.000 24.166 ( 0.000 0.000 0.000) 0.000 24.313 ( 0.000 0.000 0.000) 0.000 24.468 ( 0.000 0.000 0.000) 0.000 24.563 ( 0.000 0.000 0.000) 0.000 24.708 ( 0.000 0.000 0.000) 0.000 24.720 ( 0.000 0.000 0.000) 0.000 24.799 ( 0.000 0.000 0.000) 0.000 24.842 ( 0.000 0.000 0.000) 0.000 26.389 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/115) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( 7.475 -24.449 6.598) 26.404 0.708 ( 18.737 -32.981 -9.492) 39.101 0.993 ( 23.063 -39.242 27.603) 53.233 1.653 ( -0.140 -14.329 -10.451) 17.736 1.820 ( 6.331 -4.577 1.314) 7.922 2.010 ( 3.864 -3.299 13.866) 14.767 2.583 ( -3.271 7.966 -0.151) 8.613 2.908 ( -6.376 2.197 -21.285) 22.328 3.083 ( -2.456 -2.563 6.058) 7.021 3.150 ( -5.519 1.924 -6.551) 8.779 3.257 ( -2.431 -2.582 -0.317) 3.560 3.348 ( -1.085 2.422 5.917) 6.485 3.527 ( 0.841 1.160 1.913) 2.390 3.739 ( -5.896 -4.678 2.481) 7.925 3.912 ( 0.962 17.804 -1.661) 17.908 3.954 ( 1.525 3.516 -2.484) 4.567 4.158 ( -2.767 1.036 -3.463) 4.552 4.175 ( -0.590 -0.295 -2.095) 2.197 4.292 ( 3.321 3.092 -5.232) 6.925 4.389 ( 0.281 -0.412 -8.459) 8.473 4.640 ( 3.043 13.858 -1.086) 14.229 4.693 ( 3.421 9.728 5.530) 11.701 4.773 ( 0.295 5.875 0.430) 5.898 4.923 ( -6.007 -13.622 2.493) 15.095 5.018 ( -0.752 -0.219 2.747) 2.856 5.091 ( 4.408 1.112 5.055) 6.799 5.234 ( -2.034 8.354 -3.322) 9.218 5.328 ( 4.210 -0.357 2.983) 5.172 5.354 ( 4.133 -12.295 -1.650) 13.076 5.489 ( 3.004 -2.975 5.628) 7.039 5.721 ( -7.327 -0.387 -1.746) 7.542 5.755 ( -4.218 4.710 2.256) 6.713 6.116 ( 5.649 3.410 -2.919) 7.216 6.262 ( -3.630 5.151 0.027) 6.301 6.371 ( 7.976 1.049 -1.637) 8.209 6.507 ( -3.593 -0.520 14.070) 14.531 6.720 ( 0.777 -9.450 0.761) 9.513 7.087 ( -10.058 7.672 -3.161) 13.040 7.353 ( -3.782 -3.259 2.234) 5.470 7.509 ( 2.314 4.428 7.961) 9.399 7.717 ( 1.308 6.617 0.095) 6.746 7.732 ( -0.812 3.466 1.533) 3.876 7.808 ( 3.179 6.974 -4.216) 8.747 7.873 ( -2.471 0.871 -1.944) 3.263 8.089 ( 0.802 -2.780 -0.261) 2.905 8.221 ( -2.434 -5.720 -2.485) 6.694 8.340 ( 4.613 -1.255 -3.006) 5.647 8.429 ( -12.029 -11.348 3.610) 16.927 8.687 ( -5.289 -0.587 1.204) 5.456 8.763 ( 4.184 -3.148 5.547) 7.628 8.893 ( 1.603 -3.070 0.843) 3.564 9.029 ( -2.090 2.110 -2.712) 4.022 9.047 ( -1.709 -7.625 2.697) 8.267 9.223 ( 1.556 -0.264 2.746) 3.167 9.529 ( 0.095 -3.011 1.228) 3.254 9.581 ( 4.102 1.041 1.804) 4.601 9.785 ( 2.651 2.880 -3.997) 5.595 9.804 ( 10.188 4.695 -4.826) 12.212 9.843 ( 1.547 3.630 1.952) 4.402 11.230 ( -7.140 3.034 -9.553) 12.306 11.408 ( 1.382 3.525 10.748) 11.396 11.703 ( -10.459 -3.097 -24.413) 26.739 11.810 ( -1.387 9.980 1.419) 10.175 11.924 ( 12.076 -5.687 -36.123) 38.510 12.078 ( -9.525 1.708 37.746) 38.967 12.691 ( 5.967 -14.289 0.917) 15.512 13.625 ( -0.037 -0.240 -0.086) 0.257 13.665 ( 0.296 -0.410 0.052) 0.509 14.653 ( 2.541 0.456 -0.220) 2.591 14.682 ( 1.166 -1.456 -0.227) 1.879 14.697 ( 2.945 -1.767 0.442) 3.463 15.334 ( -1.896 -0.802 -14.644) 14.788 20.971 ( 10.088 7.687 -3.638) 13.195 21.109 ( -0.366 -0.615 -1.264) 1.452 21.215 ( 2.115 0.773 3.111) 3.841 22.016 ( -0.043 0.235 -0.047) 0.243 22.020 ( -0.060 -0.038 0.040) 0.082 22.718 ( -9.851 -22.529 -98.512) 101.534 23.378 ( -2.050 1.145 1.465) 2.768 23.638 ( -0.771 0.209 -1.815) 1.983 24.063 ( 3.785 11.316 42.719) 44.354 24.313 ( -1.803 3.684 22.886) 23.251 24.358 ( 0.811 3.586 21.459) 21.771 24.448 ( -3.789 -0.922 -2.631) 4.704 24.594 ( 2.234 -0.139 7.253) 7.591 24.718 ( -0.853 -0.917 1.374) 1.859 24.751 ( 3.526 -1.574 1.993) 4.345 24.842 ( 0.224 -1.447 -1.150) 1.862 24.936 ( -1.946 0.437 10.977) 11.157 26.321 ( -3.743 6.032 -0.347) 7.108 ======================= Grid point 2 (3/115) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 8.567 -22.466 5.142) 24.588 1.333 ( 13.253 -29.256 -5.754) 32.629 1.673 ( 6.725 -3.182 6.162) 9.660 1.878 ( 14.595 -21.776 20.213) 33.103 2.104 ( 4.319 -20.816 -13.709) 25.296 2.327 ( 11.809 -18.840 21.879) 31.195 2.429 ( -3.568 6.286 -0.213) 7.231 2.680 ( -7.508 7.164 -24.253) 26.380 2.989 ( -3.858 8.276 -2.018) 9.351 3.112 ( -1.659 -2.650 -2.217) 3.833 3.222 ( -11.474 9.305 9.086) 17.343 3.296 ( -1.075 5.446 1.153) 5.670 3.338 ( -1.881 6.241 -10.269) 12.163 3.704 ( -9.417 0.118 3.253) 9.964 3.769 ( 6.044 3.928 -3.019) 7.815 3.917 ( -3.977 3.754 2.244) 5.912 4.138 ( 7.865 1.935 -6.212) 10.207 4.173 ( -2.505 0.453 -3.716) 4.504 4.254 ( -1.265 1.582 -1.876) 2.761 4.352 ( 0.751 12.341 -1.999) 12.524 4.442 ( 1.198 -3.934 2.953) 5.063 4.618 ( 1.673 4.442 2.001) 5.151 4.766 ( 9.658 8.888 9.330) 16.104 4.969 ( -5.876 5.387 -1.827) 8.178 5.013 ( -0.966 0.537 5.020) 5.140 5.079 ( -4.037 -2.412 6.907) 8.356 5.160 ( 5.121 -1.284 0.438) 5.298 5.357 ( 2.508 -0.239 0.111) 2.522 5.519 ( -4.826 -3.638 -2.547) 6.558 5.543 ( -5.916 7.033 -2.761) 9.596 5.648 ( 0.719 -4.305 3.031) 5.314 5.697 ( -0.629 -5.102 -5.024) 7.188 6.076 ( -0.610 3.132 -12.385) 12.790 6.156 ( 3.546 6.354 5.401) 9.062 6.426 ( 1.966 -0.567 6.053) 6.389 6.571 ( 3.599 -2.299 -7.840) 8.927 6.821 ( -5.604 -4.662 1.058) 7.366 6.942 ( -0.825 0.833 0.702) 1.366 7.296 ( -9.958 4.212 10.116) 14.807 7.369 ( -5.024 10.792 2.628) 12.191 7.581 ( -0.711 10.326 6.484) 12.214 7.657 ( -4.859 6.858 -4.403) 9.488 7.782 ( 2.922 -2.852 -2.752) 4.924 7.903 ( 9.341 -3.295 -4.161) 10.744 8.147 ( 0.901 -3.618 -2.087) 4.273 8.254 ( -0.934 -1.473 -3.891) 4.264 8.376 ( -2.181 -3.659 -4.147) 5.945 8.511 ( -1.281 -4.063 4.785) 6.406 8.658 ( -3.284 -0.005 1.817) 3.753 8.897 ( -1.879 -6.955 -1.571) 7.374 8.956 ( 1.127 1.442 -0.448) 1.884 9.000 ( 4.021 -4.353 1.914) 6.227 9.155 ( -1.639 -5.315 3.577) 6.613 9.268 ( 3.576 -1.276 4.072) 5.568 9.537 ( -0.355 2.276 1.104) 2.554 9.628 ( 0.785 -0.902 4.825) 4.971 9.745 ( 1.085 0.894 -5.196) 5.382 9.789 ( -1.021 1.171 0.527) 1.640 9.900 ( 10.139 -4.763 -2.681) 11.519 11.070 ( -6.493 5.074 -5.685) 10.012 11.346 ( -4.522 6.938 10.824) 13.629 11.566 ( -7.242 0.712 -14.422) 16.154 11.642 ( -0.264 9.601 0.924) 9.649 12.001 ( 11.664 -3.992 -28.235) 30.809 12.113 ( -6.288 -0.644 26.534) 27.277 12.987 ( 5.988 -13.446 1.599) 14.806 13.630 ( 0.114 -0.451 -0.213) 0.512 13.680 ( 0.576 -0.899 0.139) 1.076 14.674 ( 1.644 -0.528 -0.126) 1.731 14.729 ( 1.907 -2.628 -0.300) 3.261 14.769 ( 3.453 -2.800 0.967) 4.550 15.254 ( -3.148 2.955 -7.081) 8.293 20.913 ( 0.576 4.115 -3.405) 5.372 21.083 ( -0.495 1.723 -1.790) 2.533 21.283 ( 4.232 -2.978 5.886) 7.837 22.011 ( -0.061 0.260 -0.027) 0.268 22.019 ( -0.198 0.152 -0.077) 0.261 22.607 ( -4.702 -4.992 -49.885) 50.354 23.338 ( -2.915 1.405 1.951) 3.778 23.620 ( -0.339 0.783 -0.155) 0.867 24.072 ( 1.984 5.290 22.295) 23.000 24.319 ( -2.140 2.084 16.431) 16.700 24.382 ( 0.636 0.048 4.644) 4.688 24.425 ( -2.595 -2.278 -7.108) 7.902 24.641 ( 2.198 -0.053 5.831) 6.232 24.738 ( -0.551 -1.386 2.978) 3.330 24.823 ( 3.425 -1.657 1.019) 3.939 24.886 ( 3.412 -2.520 0.769) 4.311 24.954 ( -1.352 -1.463 2.995) 3.598 26.135 ( -6.400 10.249 -1.203) 12.143 ======================= Grid point 3 (4/115) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 7.988 -18.896 4.067) 20.915 1.786 ( 17.196 3.394 12.745) 21.671 1.854 ( 7.861 -24.903 -6.978) 27.031 2.176 ( -7.953 -3.835 -7.891) 11.842 2.264 ( -7.033 2.086 9.755) 12.206 2.356 ( -6.579 1.974 -11.724) 13.588 2.568 ( 5.695 -17.127 -2.093) 18.171 2.795 ( 6.076 2.205 0.969) 6.536 2.886 ( 5.442 -5.877 7.294) 10.833 2.929 ( -10.525 6.747 -2.025) 12.665 3.172 ( 4.199 1.625 -3.823) 5.907 3.181 ( 2.031 -2.705 -5.091) 6.113 3.326 ( 0.205 -3.043 5.437) 6.234 3.559 ( -9.941 5.923 -0.850) 11.603 3.756 ( 1.017 2.058 -3.930) 4.552 3.797 ( -2.613 7.825 3.215) 8.854 4.048 ( -7.444 7.246 0.406) 10.397 4.089 ( 1.646 3.769 -0.741) 4.179 4.242 ( 9.951 1.350 -1.683) 10.183 4.342 ( 0.957 -3.449 -4.927) 6.089 4.473 ( 0.139 0.159 1.913) 1.924 4.633 ( 5.137 11.901 7.330) 14.891 4.723 ( 1.480 -7.979 5.992) 10.088 4.888 ( -1.974 4.679 -0.019) 5.078 4.984 ( -3.203 6.047 10.863) 12.839 5.075 ( -0.879 0.173 2.075) 2.260 5.234 ( 2.978 -2.090 0.533) 3.677 5.336 ( -0.435 4.429 -2.370) 5.042 5.423 ( 1.696 -0.166 -1.707) 2.412 5.485 ( -3.996 -3.235 -8.031) 9.536 5.705 ( -5.860 -4.770 0.813) 7.600 5.807 ( 5.667 -2.421 0.969) 6.238 5.981 ( -3.307 0.639 -7.780) 8.477 6.070 ( -1.740 7.234 1.607) 7.612 6.458 ( -1.235 1.505 -7.419) 7.670 6.541 ( 2.159 -0.356 -1.972) 2.946 6.854 ( 1.755 0.844 -1.592) 2.515 7.008 ( -0.876 -8.972 -1.122) 9.085 7.131 ( -2.197 13.622 9.410) 16.701 7.191 ( -8.823 1.552 3.209) 9.516 7.418 ( -2.496 8.704 0.768) 9.087 7.491 ( -4.799 6.835 3.572) 9.083 7.842 ( 1.715 -2.613 -1.835) 3.624 8.039 ( 8.519 -1.360 -0.926) 8.676 8.215 ( 0.455 -5.648 -5.394) 7.823 8.237 ( -0.765 0.466 -2.634) 2.782 8.402 ( -1.669 -2.775 -1.249) 3.471 8.544 ( 0.585 2.220 3.366) 4.075 8.636 ( -1.715 -1.434 1.155) 2.516 8.871 ( -3.086 0.608 -4.730) 5.680 9.030 ( -1.739 -7.296 -3.452) 8.257 9.133 ( 6.107 -3.713 3.491) 7.954 9.219 ( -0.517 -3.183 2.740) 4.231 9.333 ( 2.307 0.021 4.918) 5.432 9.491 ( -1.152 2.519 1.900) 3.359 9.592 ( -3.507 3.133 0.249) 4.709 9.788 ( 1.735 -0.073 1.304) 2.172 9.808 ( 4.706 -5.190 -1.019) 7.080 10.095 ( 6.591 -8.328 0.248) 10.624 10.914 ( -3.126 6.168 -5.245) 8.679 11.200 ( -7.167 6.866 6.592) 11.915 11.457 ( -6.863 -0.903 -9.856) 12.044 11.510 ( 1.917 8.543 3.626) 9.476 12.067 ( 9.327 -2.793 -21.790) 23.866 12.156 ( -4.909 -0.671 19.849) 20.458 13.221 ( 3.924 -8.670 1.426) 9.623 13.639 ( 0.229 -0.465 -0.300) 0.598 13.704 ( 0.676 -1.138 0.185) 1.336 14.695 ( 1.173 -0.390 0.175) 1.249 14.797 ( 2.083 -3.482 -0.219) 4.064 14.847 ( 2.899 -2.223 1.497) 3.948 15.138 ( -3.691 4.499 -4.477) 7.343 20.835 ( -2.074 2.722 -2.880) 4.473 21.053 ( 0.643 1.344 -0.972) 1.779 21.411 ( 4.217 -4.568 6.800) 9.214 22.006 ( -0.181 0.193 -0.057) 0.270 22.011 ( -0.255 0.399 -0.442) 0.647 22.453 ( -3.501 1.344 -29.127) 29.368 23.299 ( -2.293 0.953 1.487) 2.894 23.608 ( -0.057 0.521 0.082) 0.530 24.083 ( 1.396 2.982 12.540) 12.965 24.318 ( -1.964 1.204 8.755) 9.053 24.401 ( 1.167 0.193 2.847) 3.083 24.423 ( -2.435 -3.059 -6.102) 7.247 24.678 ( 1.647 -0.203 3.567) 3.934 24.764 ( 0.021 -0.850 1.751) 1.946 24.871 ( 2.069 -1.166 -0.036) 2.375 24.967 ( -0.263 -1.318 3.632) 3.873 24.998 ( 4.104 -4.503 0.559) 6.118 25.885 ( -7.118 11.242 -2.297) 13.503 ======================= Grid point 4 (5/115) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 3.607 -8.863 1.000) 9.621 1.886 ( -0.839 3.577 -4.757) 6.011 2.031 ( 9.861 0.532 9.134) 13.452 2.144 ( -0.120 -0.072 -0.059) 0.152 2.273 ( 0.175 -8.112 -8.354) 11.646 2.384 ( -4.846 -4.529 1.025) 6.712 2.615 ( -10.663 -0.451 3.649) 11.279 2.765 ( 5.724 3.203 -2.188) 6.914 2.783 ( -1.707 1.798 -4.479) 5.120 3.014 ( -1.401 -0.954 5.956) 6.193 3.167 ( 2.291 -0.392 -2.574) 3.468 3.335 ( 2.957 -2.317 -6.549) 7.550 3.368 ( 0.781 1.765 0.903) 2.131 3.502 ( 3.003 -5.038 4.290) 7.267 3.674 ( 0.553 0.751 -6.511) 6.577 3.719 ( -4.077 2.402 5.364) 7.154 3.873 ( -5.067 5.661 2.901) 8.133 4.094 ( 2.017 0.194 1.298) 2.406 4.282 ( 3.384 0.651 0.278) 3.457 4.425 ( 0.906 -7.494 -6.458) 9.934 4.511 ( 5.553 3.079 4.100) 7.558 4.534 ( 2.005 1.695 -1.003) 2.811 4.712 ( -7.983 8.260 6.914) 13.408 4.850 ( 0.991 4.454 2.841) 5.375 4.938 ( -0.720 -6.341 -0.047) 6.382 5.063 ( -1.975 0.984 0.049) 2.208 5.257 ( 1.184 0.350 0.161) 1.245 5.337 ( 1.165 -2.162 2.759) 3.694 5.428 ( 1.887 1.203 -3.948) 4.538 5.504 ( 0.789 -1.492 -3.248) 3.660 5.742 ( -7.130 -8.331 -1.564) 11.077 5.818 ( 6.612 8.907 4.587) 12.004 5.917 ( -5.157 1.519 -3.966) 6.681 5.973 ( 1.014 1.520 0.399) 1.870 6.440 ( -2.904 -8.497 -12.014) 14.999 6.538 ( 1.658 6.948 7.138) 10.098 6.837 ( 1.766 1.054 -0.801) 2.207 6.945 ( -1.566 5.723 0.978) 6.014 7.121 ( -1.144 1.331 -0.038) 1.755 7.161 ( -4.129 -6.930 2.332) 8.397 7.300 ( 2.592 5.091 -0.579) 5.742 7.386 ( -2.776 2.810 2.928) 4.917 7.878 ( 0.550 -1.006 -0.763) 1.378 8.087 ( 2.199 0.316 -0.422) 2.261 8.212 ( -0.545 0.676 -0.922) 1.267 8.269 ( -0.126 -2.026 -1.903) 2.782 8.410 ( -1.205 -0.025 0.251) 1.231 8.529 ( 1.660 0.740 0.500) 1.885 8.672 ( 0.110 -1.734 1.278) 2.157 8.826 ( -1.460 0.290 -2.487) 2.899 9.107 ( -0.592 -4.043 -1.862) 4.491 9.224 ( 2.639 -0.939 1.562) 3.207 9.275 ( -0.124 -3.016 -0.203) 3.026 9.338 ( 1.305 2.022 1.915) 3.075 9.447 ( -1.515 2.223 2.093) 3.409 9.528 ( -1.618 0.846 -0.481) 1.889 9.813 ( 1.122 -0.430 0.266) 1.231 9.925 ( 2.225 -3.575 0.507) 4.241 10.246 ( 2.633 -3.697 1.120) 4.675 10.790 ( -1.063 3.866 -3.161) 5.105 11.081 ( -3.492 2.612 2.328) 4.943 11.400 ( -3.965 -1.293 -3.855) 5.679 11.435 ( 2.098 4.188 2.223) 5.185 12.106 ( 3.872 -1.084 -9.178) 10.020 12.179 ( -2.237 -0.173 8.409) 8.704 13.343 ( 1.305 -2.927 0.568) 3.255 13.645 ( 0.123 -0.189 -0.161) 0.277 13.724 ( 0.324 -0.557 0.088) 0.651 14.708 ( 0.462 -0.123 0.170) 0.507 14.874 ( 1.400 -3.797 -0.891) 4.144 14.896 ( 1.774 -0.090 2.484) 3.054 15.023 ( -2.837 3.618 -2.615) 5.289 20.781 ( -1.030 0.984 -1.125) 1.815 21.042 ( 0.357 0.437 -0.318) 0.647 21.529 ( 2.171 -2.657 3.958) 5.238 21.994 ( -0.401 0.430 -0.734) 0.940 22.006 ( 0.023 0.052 -0.003) 0.057 22.326 ( -1.640 1.595 -10.430) 10.678 23.278 ( -0.834 0.316 0.541) 1.043 23.602 ( 0.009 0.168 0.029) 0.171 24.089 ( 0.526 1.028 4.076) 4.236 24.311 ( -0.757 0.420 2.602) 2.742 24.416 ( 1.132 0.500 1.877) 2.248 24.428 ( -1.641 -1.742 -2.919) 3.775 24.702 ( 0.697 -0.218 1.411) 1.589 24.775 ( 0.093 -0.131 0.170) 0.234 24.898 ( 0.718 -0.447 0.050) 0.847 24.982 ( -0.365 -0.504 0.515) 0.809 25.121 ( 3.159 -3.765 2.096) 5.344 25.665 ( -4.164 6.431 -1.878) 7.888 ======================= Grid point 10 (6/115) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 24.826 -0.000 16.801) 29.976 0.649 ( 39.654 -0.000 -14.608) 42.260 1.114 ( 41.420 -0.000 43.807) 60.288 1.455 ( 7.990 -0.000 -13.947) 16.073 1.786 ( -0.510 0.000 -1.055) 1.171 2.159 ( 11.085 -0.000 21.612) 24.289 2.567 ( -7.474 0.000 0.549) 7.494 2.789 ( -8.740 0.000 -21.491) 23.201 3.061 ( -2.189 0.000 4.263) 4.792 3.117 ( -3.917 0.000 -13.990) 14.528 3.259 ( 13.326 -0.000 1.578) 13.420 3.301 ( -7.174 0.000 0.187) 7.176 3.558 ( -2.296 0.000 2.636) 3.496 3.632 ( -8.267 0.000 12.973) 15.383 3.976 ( 3.327 -0.000 -5.209) 6.181 4.075 ( -10.821 0.000 -1.712) 10.956 4.157 ( -0.540 0.000 1.128) 1.251 4.217 ( 6.855 -0.000 -18.443) 19.676 4.249 ( -5.023 0.000 -0.917) 5.106 4.368 ( -5.233 0.000 -8.763) 10.207 4.549 ( -4.601 0.000 -5.027) 6.815 4.824 ( 6.950 -0.000 3.056) 7.592 4.856 ( -2.343 0.000 -0.828) 2.485 4.898 ( -0.908 0.000 0.991) 1.344 5.067 ( 5.387 -0.000 5.403) 7.629 5.124 ( 1.748 -0.000 3.248) 3.689 5.179 ( -5.379 0.000 -4.995) 7.340 5.333 ( 7.075 -0.000 -3.523) 7.904 5.442 ( -1.053 0.000 -3.651) 3.800 5.445 ( -1.685 0.000 3.227) 3.640 5.639 ( -3.444 0.000 1.580) 3.789 5.792 ( -3.276 0.000 7.402) 8.095 6.205 ( -0.193 0.000 -8.291) 8.293 6.303 ( 4.839 -0.000 12.829) 13.712 6.393 ( -11.265 0.000 12.053) 16.498 6.622 ( -4.165 0.000 19.962) 20.392 6.624 ( 10.503 -0.000 -5.908) 12.051 6.972 ( -16.130 0.000 -11.923) 20.058 7.329 ( 0.714 -0.000 10.879) 10.902 7.584 ( -8.072 0.000 4.377) 9.182 7.758 ( -3.780 0.000 1.699) 4.144 7.831 ( -1.759 0.000 -5.841) 6.100 7.856 ( -1.758 0.000 -0.261) 1.778 7.918 ( 3.224 -0.000 3.696) 4.905 7.951 ( -4.107 0.000 -3.013) 5.094 8.115 ( 4.907 -0.000 -6.181) 7.892 8.323 ( 4.983 -0.000 14.720) 15.540 8.377 ( 4.442 -0.000 -2.605) 5.150 8.657 ( -2.382 0.000 5.678) 6.158 8.709 ( -4.019 0.000 3.797) 5.529 8.942 ( 7.791 -0.000 5.014) 9.265 8.949 ( 0.368 -0.000 0.116) 0.385 9.038 ( -1.769 0.000 -3.169) 3.630 9.232 ( 4.033 -0.000 -1.681) 4.369 9.500 ( 1.793 -0.000 -3.257) 3.718 9.600 ( -0.284 0.000 -0.251) 0.379 9.783 ( -0.533 0.000 -4.220) 4.254 9.825 ( -3.876 0.000 -1.156) 4.045 10.145 ( 1.403 -0.000 9.379) 9.484 11.230 ( -5.778 0.000 -12.652) 13.909 11.272 ( 8.182 -0.000 -45.801) 46.526 11.480 ( -5.051 0.000 13.845) 14.738 11.848 ( -9.293 0.000 13.793) 16.632 11.888 ( 13.008 -0.000 -32.718) 35.209 12.182 ( -3.231 0.000 23.937) 24.154 12.643 ( 12.383 -0.000 1.025) 12.425 13.621 ( 0.002 -0.000 -0.156) 0.156 13.666 ( 0.602 -0.000 0.127) 0.616 14.676 ( 1.498 -0.000 -0.649) 1.632 14.689 ( 2.590 -0.000 -0.348) 2.614 14.731 ( 2.784 -0.000 0.261) 2.796 15.236 ( 5.951 -0.000 -22.771) 23.536 21.056 ( -3.648 0.000 -0.977) 3.776 21.243 ( 1.356 -0.000 3.770) 4.006 21.306 ( 0.492 -0.000 -3.753) 3.785 22.005 ( 22.591 -0.000 -63.426) 67.329 22.018 ( -0.026 0.000 -0.136) 0.138 22.026 ( 10.529 -0.000 -30.523) 32.288 23.379 ( -2.234 0.000 1.369) 2.620 23.643 ( 0.269 -0.000 0.440) 0.516 24.106 ( -5.031 0.000 1.711) 5.314 24.381 ( 5.739 -0.000 0.252) 5.744 24.383 ( -1.296 0.000 -12.024) 12.093 24.598 ( -16.285 0.000 33.908) 37.616 24.647 ( -0.782 0.000 17.245) 17.262 24.743 ( 1.230 -0.000 0.623) 1.379 24.778 ( -0.823 0.000 14.661) 14.684 24.813 ( 2.012 -0.000 0.135) 2.017 25.008 ( -16.208 0.000 42.747) 45.716 26.315 ( -7.582 0.000 -0.712) 7.615 ======================= Grid point 11 (7/115) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 22.476 -7.723 13.979) 27.572 1.141 ( 27.996 -15.168 -3.620) 32.047 1.535 ( 14.653 -12.578 -6.018) 20.227 1.805 ( 6.521 -11.900 -0.829) 13.595 1.922 ( 19.212 -14.813 22.676) 33.207 2.341 ( 5.803 -2.657 22.046) 22.952 2.496 ( 3.031 3.582 2.121) 5.150 2.627 ( -4.713 2.407 -22.251) 22.872 2.978 ( -9.177 -1.961 -8.736) 12.821 3.092 ( -0.174 5.561 -3.532) 6.590 3.158 ( -8.680 -1.073 4.951) 10.051 3.324 ( -9.504 4.937 -8.947) 13.955 3.489 ( 2.317 8.137 9.853) 12.986 3.635 ( -12.032 -4.399 6.103) 14.191 3.844 ( -0.054 8.893 -4.348) 9.899 3.978 ( 2.030 3.212 -1.668) 4.150 4.124 ( -2.396 -0.280 0.963) 2.598 4.160 ( -1.994 1.308 -4.139) 4.777 4.285 ( 3.499 -1.226 -9.125) 9.850 4.348 ( -0.917 -5.867 -2.588) 6.478 4.517 ( -8.729 3.462 -7.785) 12.198 4.699 ( 1.789 7.805 3.546) 8.758 4.845 ( -4.037 -3.351 0.784) 5.305 4.970 ( 7.166 0.618 1.310) 7.311 5.056 ( -5.131 6.122 -0.308) 7.994 5.103 ( 3.033 1.206 5.099) 6.054 5.219 ( 4.329 -1.349 1.580) 4.802 5.350 ( 1.066 -3.564 -2.026) 4.235 5.431 ( 0.381 -1.161 0.048) 1.223 5.537 ( -2.153 -3.871 -5.753) 7.261 5.612 ( 3.813 -0.526 -0.010) 3.849 5.704 ( -5.853 9.875 8.427) 14.240 6.127 ( 3.283 4.246 -7.332) 9.086 6.283 ( -3.753 4.220 6.360) 8.506 6.466 ( -8.880 -4.471 9.591) 13.814 6.543 ( 7.320 2.528 2.334) 8.088 6.747 ( 3.080 -0.039 -1.648) 3.494 6.837 ( -9.658 -5.013 -6.584) 12.718 7.330 ( -6.306 6.451 8.009) 12.063 7.485 ( -1.481 2.664 3.103) 4.350 7.623 ( -11.201 5.068 -9.943) 15.812 7.693 ( -5.211 3.109 5.404) 8.125 7.836 ( 2.546 4.092 -1.346) 5.004 7.946 ( 8.189 0.469 3.810) 9.044 8.038 ( -3.414 -7.413 -3.553) 8.901 8.200 ( 5.114 -3.438 -5.642) 8.355 8.363 ( 3.881 1.419 0.184) 4.137 8.477 ( 1.179 -4.331 6.322) 7.754 8.645 ( 0.315 0.765 4.816) 4.887 8.766 ( -2.518 -5.568 0.196) 6.114 8.933 ( -6.162 -0.622 0.526) 6.216 9.018 ( 4.860 -0.855 2.358) 5.469 9.080 ( 2.507 -4.935 2.359) 6.017 9.289 ( 5.052 -1.540 0.193) 5.285 9.531 ( 0.340 -2.161 -3.095) 3.790 9.617 ( -0.683 -2.204 3.432) 4.136 9.757 ( -0.731 1.574 -4.945) 5.241 9.767 ( -0.952 0.493 -1.781) 2.078 10.077 ( 8.638 9.612 5.395) 14.004 11.061 ( -4.502 3.530 -6.748) 8.847 11.327 ( -9.871 -8.558 -21.406) 25.078 11.432 ( -5.202 4.331 8.962) 11.231 11.759 ( -6.037 4.130 1.377) 7.443 11.945 ( 9.966 -3.857 -19.220) 21.991 12.189 ( 0.350 4.166 16.524) 17.044 12.873 ( 11.116 -10.422 2.138) 15.387 13.624 ( 0.181 -0.316 -0.320) 0.485 13.677 ( 0.927 -0.411 0.191) 1.032 14.694 ( 2.359 -0.206 -0.665) 2.460 14.723 ( 3.236 -0.799 -0.023) 3.333 14.769 ( 3.798 -1.333 0.513) 4.057 15.215 ( -1.069 -0.270 -11.525) 11.577 20.980 ( -3.509 4.349 -1.582) 5.808 21.168 ( 5.368 8.490 -5.359) 11.385 21.294 ( 2.452 -2.064 5.840) 6.661 22.014 ( -0.109 0.203 -0.110) 0.255 22.018 ( -0.138 0.066 -0.108) 0.187 22.197 ( 6.515 -17.613 -56.961) 59.977 23.346 ( -3.209 1.481 2.906) 4.576 23.639 ( 0.496 1.027 0.466) 1.232 24.081 ( -4.305 -1.338 1.631) 4.794 24.340 ( -1.683 -1.384 -9.647) 9.890 24.427 ( 5.115 1.351 1.922) 5.628 24.529 ( -9.042 5.834 33.351) 35.044 24.691 ( 0.661 1.164 11.447) 11.525 24.735 ( 1.580 0.449 0.988) 1.917 24.833 ( 1.746 -1.131 3.207) 3.823 24.865 ( 3.096 -2.979 0.456) 4.321 24.972 ( -4.426 2.605 15.324) 16.161 26.180 ( -10.369 5.450 -1.671) 11.833 ======================= Grid point 12 (8/115) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( 17.655 -10.343 12.029) 23.736 1.573 ( 11.923 -17.318 -2.372) 21.159 1.852 ( 6.292 -10.478 -1.330) 12.294 1.999 ( 5.202 -13.364 -11.205) 18.199 2.218 ( 0.146 -0.798 4.351) 4.426 2.361 ( -4.270 7.966 -12.151) 15.144 2.503 ( 11.286 -3.455 9.632) 15.234 2.828 ( 11.093 -10.125 20.706) 25.579 2.908 ( -8.336 0.725 -12.927) 15.399 2.942 ( -2.530 7.543 3.156) 8.559 3.044 ( -2.871 -4.158 -0.579) 5.086 3.217 ( -6.341 -4.593 -3.660) 8.643 3.359 ( 2.064 11.058 3.787) 11.869 3.560 ( -10.609 1.781 2.705) 11.093 3.777 ( 2.473 4.469 -2.191) 5.558 3.898 ( -4.165 5.197 2.007) 6.956 4.070 ( -6.647 4.049 -1.291) 7.890 4.121 ( 0.711 -1.537 -3.631) 4.006 4.326 ( 0.568 4.756 -7.044) 8.518 4.356 ( 8.448 -0.902 -7.521) 11.347 4.439 ( -4.048 -3.092 5.004) 7.141 4.660 ( 0.310 -1.930 5.720) 6.045 4.830 ( -3.103 7.777 4.358) 9.440 4.944 ( -2.875 -4.253 -5.810) 7.753 4.981 ( 0.851 2.564 -0.188) 2.708 5.133 ( 3.742 5.215 5.690) 8.578 5.271 ( 3.636 0.518 1.464) 3.954 5.391 ( -4.848 4.334 -3.426) 7.350 5.419 ( 3.812 -2.292 0.181) 4.451 5.477 ( 0.033 5.263 5.448) 7.575 5.606 ( -1.828 -2.669 -2.495) 4.085 5.707 ( 0.468 -8.409 -1.606) 8.574 6.033 ( 3.882 8.530 -7.137) 11.780 6.164 ( -4.868 6.714 1.504) 8.429 6.450 ( -6.820 -4.095 9.962) 12.748 6.596 ( 2.584 9.240 -11.250) 14.786 6.762 ( -2.829 -12.323 5.622) 13.837 6.875 ( 0.802 -3.287 -5.355) 6.335 7.166 ( -8.110 5.302 -2.000) 9.893 7.333 ( -5.280 10.374 4.262) 12.396 7.475 ( -2.363 4.731 -2.637) 5.909 7.599 ( -5.884 6.076 8.439) 11.948 7.823 ( 2.042 -0.139 0.896) 2.235 8.054 ( -0.275 -3.053 0.239) 3.074 8.123 ( 5.967 -6.373 -3.746) 9.501 8.239 ( 4.116 0.431 -4.292) 5.962 8.395 ( 5.625 -0.260 -2.092) 6.007 8.558 ( -1.865 -4.183 3.409) 5.709 8.627 ( -0.105 4.228 2.298) 4.813 8.812 ( -0.743 -3.547 -4.410) 5.707 8.900 ( -5.596 -3.280 0.589) 6.513 9.104 ( 1.965 -3.985 2.218) 4.966 9.193 ( 1.763 -3.702 6.147) 7.389 9.364 ( 4.380 -1.363 1.921) 4.973 9.534 ( -0.197 0.535 -0.597) 0.825 9.603 ( -4.204 1.861 0.858) 4.677 9.724 ( -1.356 -2.562 -7.039) 7.613 9.820 ( 3.174 -1.971 6.305) 7.329 10.101 ( 10.339 -0.316 1.270) 10.421 10.959 ( -1.646 3.846 -3.692) 5.580 11.218 ( -11.965 1.753 -4.028) 12.746 11.345 ( -4.472 1.227 -4.623) 6.548 11.639 ( -4.303 5.571 3.450) 7.839 12.028 ( 7.698 -3.443 -15.335) 17.500 12.191 ( -0.408 2.037 12.381) 12.554 13.134 ( 7.527 -9.202 2.190) 12.088 13.632 ( 0.385 -0.490 -0.518) 0.810 13.698 ( 1.171 -0.783 0.268) 1.434 14.717 ( 2.505 0.240 -0.102) 2.518 14.773 ( 2.864 -1.821 0.071) 3.395 14.839 ( 3.101 -2.553 0.936) 4.125 15.142 ( -3.352 2.456 -6.268) 7.520 20.871 ( -2.082 4.524 -1.045) 5.088 21.099 ( 2.732 3.601 -3.636) 5.801 21.396 ( 3.118 -4.221 6.595) 8.428 22.007 ( -0.342 0.317 -0.322) 0.567 22.013 ( -0.066 0.280 -0.553) 0.624 22.254 ( -0.262 -7.903 -37.211) 38.042 23.303 ( -3.281 1.336 4.066) 5.393 23.627 ( 0.930 1.231 -0.073) 1.544 24.067 ( -3.944 -1.371 -1.277) 4.366 24.330 ( -1.632 -2.761 -6.571) 7.312 24.451 ( 1.539 1.304 7.259) 7.534 24.485 ( 0.180 7.122 22.493) 23.594 24.711 ( 1.307 0.871 5.747) 5.958 24.761 ( 1.131 -0.859 1.312) 1.933 24.873 ( 1.865 -0.931 0.433) 2.129 24.942 ( 0.085 -2.075 -0.031) 2.077 24.978 ( 1.450 -2.347 6.329) 6.904 25.952 ( -11.201 8.528 -3.145) 14.425 ======================= Grid point 13 (9/115) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 7.221 -8.523 -2.893) 11.539 1.872 ( 0.200 -5.810 -0.017) 5.813 1.948 ( 4.648 -8.065 -4.750) 10.451 2.080 ( -10.365 1.806 -15.941) 19.100 2.271 ( 11.389 -5.613 4.061) 13.330 2.367 ( 4.059 -4.935 19.902) 20.903 2.528 ( -3.717 4.765 -2.989) 6.742 2.811 ( -1.004 2.056 2.476) 3.372 2.877 ( 1.363 -0.498 -2.263) 2.688 2.940 ( 0.018 -3.424 -1.235) 3.640 3.198 ( -3.203 -1.451 -0.077) 3.517 3.263 ( 5.247 -0.366 -8.813) 10.264 3.408 ( 3.733 -8.952 5.671) 11.235 3.437 ( -0.913 1.127 5.071) 5.274 3.686 ( -1.830 5.900 -0.716) 6.219 3.743 ( -6.025 6.809 -1.517) 9.217 3.934 ( -5.774 4.314 6.984) 10.036 4.174 ( 4.312 -0.614 1.196) 4.516 4.267 ( -3.952 -0.424 -3.635) 5.386 4.379 ( 4.318 3.555 -3.675) 6.693 4.457 ( -0.955 -4.718 -1.213) 4.964 4.694 ( 2.772 7.694 0.376) 8.186 4.801 ( -2.108 -0.771 1.122) 2.509 4.862 ( -1.830 1.720 8.212) 8.587 4.987 ( -0.159 4.306 -5.296) 6.828 5.013 ( 2.043 2.737 -4.805) 5.895 5.290 ( 0.678 0.944 4.517) 4.664 5.327 ( -0.535 -1.140 2.512) 2.810 5.456 ( 2.943 2.717 -3.551) 5.353 5.513 ( 2.756 -3.650 3.904) 6.014 5.602 ( -1.310 -0.253 -1.578) 2.066 5.825 ( -4.438 -5.385 -2.601) 7.447 5.941 ( -3.258 2.318 1.574) 4.297 6.059 ( 5.758 2.186 -0.789) 6.209 6.358 ( -0.672 8.371 -7.717) 11.405 6.552 ( -5.231 -4.497 6.924) 9.774 6.863 ( -3.647 -3.931 -7.668) 9.357 6.944 ( -0.685 2.481 -6.825) 7.294 6.997 ( -6.755 -2.933 6.776) 10.007 7.211 ( 0.979 5.307 5.203) 7.497 7.386 ( 2.686 3.704 -5.260) 6.972 7.463 ( -4.289 7.358 8.111) 11.761 7.861 ( 1.392 -1.643 -0.095) 2.156 8.058 ( -3.459 -1.276 -1.541) 3.996 8.199 ( -0.744 -1.042 -1.670) 2.104 8.303 ( 7.917 -0.071 1.572) 8.072 8.426 ( 2.875 1.575 -0.607) 3.334 8.567 ( 0.861 2.301 -2.721) 3.666 8.621 ( -1.121 -4.296 1.923) 4.839 8.816 ( 0.858 -0.189 -1.572) 1.801 8.974 ( -2.114 -8.446 -1.522) 8.838 9.178 ( -0.883 -3.451 1.053) 3.715 9.251 ( -0.443 -0.790 4.417) 4.509 9.407 ( 3.067 1.531 0.486) 3.462 9.487 ( -2.268 3.296 1.635) 4.322 9.576 ( 3.964 1.047 -0.587) 4.142 9.745 ( -2.402 -4.585 -7.981) 9.513 9.892 ( -1.061 -2.510 9.507) 9.890 10.234 ( 6.968 -3.264 0.052) 7.695 10.864 ( 0.617 5.995 -2.428) 6.498 11.086 ( -6.243 1.742 0.664) 6.515 11.286 ( -4.242 -1.855 -6.982) 8.378 11.534 ( -3.269 4.401 4.902) 7.354 12.086 ( 5.156 -2.051 -11.081) 12.392 12.195 ( -1.677 1.148 8.723) 8.956 13.309 ( 4.062 -4.787 1.407) 6.434 13.641 ( 0.365 -0.391 -0.567) 0.780 13.722 ( 1.044 -0.614 0.242) 1.235 14.728 ( 1.774 0.890 0.206) 1.996 14.832 ( 1.597 -2.607 -0.340) 3.076 14.905 ( 2.164 -1.893 1.722) 3.351 15.042 ( -3.096 3.481 -3.524) 5.841 20.802 ( -0.242 2.391 0.748) 2.517 21.064 ( 1.209 1.819 -2.443) 3.277 21.509 ( 1.891 -3.414 3.809) 5.453 21.993 ( -0.361 0.376 -1.453) 1.543 22.008 ( 0.009 0.159 -0.093) 0.185 22.235 ( -1.139 -4.412 -18.996) 19.535 23.277 ( -2.241 0.368 3.740) 4.376 23.618 ( 1.185 1.037 -0.617) 1.691 24.037 ( -4.022 -1.134 -5.994) 7.307 24.344 ( -1.626 -2.585 -3.412) 4.579 24.449 ( 0.199 5.693 19.803) 20.606 24.481 ( 4.918 1.837 3.017) 6.055 24.725 ( 1.489 1.119 2.306) 2.964 24.782 ( 1.271 0.014 -0.306) 1.307 24.897 ( 0.645 -0.446 -0.142) 0.797 24.957 ( -1.212 -1.459 0.601) 1.990 25.083 ( 1.869 -4.741 3.104) 5.967 25.706 ( -9.069 7.191 -3.873) 12.205 ======================= Grid point 14 (10/115) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -12.085 -3.054 -19.397) 23.057 1.823 ( -1.511 3.618 -6.657) 7.726 1.933 ( 3.318 -1.401 5.823) 6.847 2.167 ( 5.638 -4.906 4.962) 8.971 2.422 ( 1.198 3.513 8.459) 9.237 2.466 ( 0.782 -2.328 3.473) 4.254 2.559 ( 2.200 -6.388 16.101) 17.461 2.805 ( 6.709 2.573 -6.524) 9.705 2.905 ( 3.845 0.595 3.326) 5.119 2.925 ( -3.854 -1.051 -8.379) 9.283 3.188 ( 1.564 2.827 -0.595) 3.285 3.312 ( 2.424 -3.086 -4.235) 5.773 3.377 ( -2.044 -0.894 0.264) 2.246 3.485 ( -4.937 4.033 -2.523) 6.856 3.629 ( -5.690 -1.629 4.386) 7.366 3.678 ( 2.608 -2.743 -5.004) 6.274 3.887 ( 0.021 0.900 7.409) 7.463 4.167 ( 0.932 7.042 3.532) 7.933 4.243 ( -4.442 -3.349 -3.169) 6.403 4.317 ( -5.209 0.569 -6.921) 8.681 4.511 ( -3.582 -0.076 0.659) 3.643 4.598 ( -3.847 9.120 4.040) 10.691 4.668 ( 5.247 -1.205 -5.854) 7.953 4.845 ( 5.083 2.354 -6.813) 8.820 5.021 ( 0.173 -0.419 1.611) 1.674 5.057 ( 8.395 -1.812 -0.100) 8.589 5.264 ( -2.021 3.232 2.877) 4.776 5.359 ( -2.230 1.152 4.155) 4.854 5.409 ( 0.321 0.863 -3.994) 4.099 5.568 ( 3.033 2.243 4.766) 6.078 5.624 ( -2.201 -6.877 -0.961) 7.285 5.826 ( -2.360 -3.166 -3.320) 5.159 5.901 ( -4.075 -0.827 4.385) 6.043 6.096 ( 9.088 8.166 6.802) 13.983 6.332 ( 0.398 -9.712 -10.759) 14.499 6.566 ( -4.881 0.062 10.165) 11.276 6.814 ( -6.155 -3.084 -8.958) 11.298 6.861 ( 2.109 2.133 -7.653) 8.219 7.071 ( -5.573 -4.464 10.942) 13.065 7.201 ( 3.361 0.516 5.002) 6.049 7.355 ( 2.977 6.227 -2.290) 7.272 7.373 ( 2.236 -0.329 -3.934) 4.537 7.885 ( 0.557 -0.083 -1.027) 1.171 8.033 ( -5.348 -0.773 1.511) 5.611 8.204 ( 0.340 -1.044 -0.105) 1.103 8.352 ( 4.759 2.291 3.687) 6.441 8.428 ( 2.403 -0.138 0.403) 2.441 8.517 ( -0.961 1.814 -3.581) 4.128 8.674 ( 0.280 -0.727 -0.859) 1.160 8.844 ( 2.517 -1.018 0.804) 2.832 9.068 ( -4.728 -6.208 1.100) 7.880 9.187 ( -2.505 0.339 -0.436) 2.565 9.275 ( 0.053 -0.648 1.666) 1.788 9.377 ( 2.385 2.646 -3.691) 5.129 9.453 ( 0.340 1.462 4.827) 5.054 9.598 ( 8.192 2.753 -3.750) 9.420 9.749 ( -4.449 -2.964 -7.022) 8.826 9.928 ( -5.692 -0.594 8.658) 10.378 10.283 ( 1.370 2.046 -2.167) 3.280 10.799 ( 1.801 2.002 3.528) 4.438 11.062 ( 0.906 -1.731 -2.542) 3.207 11.285 ( -3.000 -4.854 -5.164) 7.696 11.486 ( -0.683 1.154 5.294) 5.462 12.112 ( 0.035 -0.359 0.400) 0.539 12.180 ( -0.193 1.238 -1.333) 1.829 13.372 ( 1.304 0.524 0.338) 1.445 13.646 ( 0.136 -0.069 -0.308) 0.343 13.733 ( 0.458 0.351 0.090) 0.584 14.723 ( 1.001 1.257 0.112) 1.611 14.863 ( -1.324 -0.855 -2.063) 2.596 14.927 ( -0.814 2.998 1.485) 3.443 14.998 ( 1.699 -2.613 0.365) 3.138 20.796 ( 1.943 0.204 2.821) 3.431 21.043 ( 0.060 0.665 -1.584) 1.719 21.528 ( -1.767 1.641 -3.685) 4.403 21.992 ( 0.401 -0.517 0.183) 0.679 22.006 ( -0.038 0.064 -0.004) 0.075 22.285 ( 0.931 -6.916 -0.445) 6.992 23.276 ( -0.715 -0.562 2.992) 3.127 23.612 ( 1.220 0.727 -0.850) 1.655 23.989 ( -4.382 -1.448 -10.901) 11.838 24.350 ( -1.391 -0.754 -0.700) 1.730 24.440 ( 3.066 4.295 11.674) 12.812 24.510 ( 4.535 1.918 4.492) 6.665 24.711 ( 0.332 1.968 -1.363) 2.417 24.784 ( 0.812 0.624 -0.494) 1.137 24.897 ( -0.508 0.320 -0.683) 0.910 24.972 ( -0.808 -1.256 0.054) 1.495 25.124 ( -3.631 1.076 -0.814) 3.874 25.600 ( -1.328 -3.351 -0.786) 3.690 ======================= Grid point 15 (11/115) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -20.739 -2.713 -21.402) 29.926 1.669 ( 0.424 14.604 -0.617) 14.623 2.180 ( 6.649 -3.896 15.100) 16.953 2.241 ( 0.569 7.677 0.628) 7.723 2.292 ( 6.501 2.489 16.952) 18.325 2.532 ( 7.008 5.570 -0.940) 9.001 2.674 ( -4.526 -2.140 3.861) 6.323 2.769 ( 7.433 3.406 -10.968) 13.680 2.846 ( -4.226 1.222 -11.242) 12.072 2.978 ( 2.839 -0.950 4.030) 5.020 3.167 ( -3.511 2.435 -1.015) 4.392 3.248 ( -2.081 7.098 13.394) 15.301 3.294 ( -7.752 2.523 -4.916) 9.519 3.525 ( 4.334 -7.744 2.434) 9.202 3.691 ( 1.129 -1.915 -9.032) 9.301 3.707 ( 0.977 -8.955 5.287) 10.445 3.977 ( 1.817 -6.100 2.618) 6.883 4.055 ( -1.870 1.517 -5.344) 5.862 4.203 ( -0.514 3.725 -3.335) 5.026 4.286 ( -9.374 -7.817 -5.720) 13.480 4.412 ( -5.497 2.723 6.347) 8.827 4.510 ( -2.312 2.025 -2.310) 3.845 4.758 ( 2.657 -3.002 0.459) 4.035 4.913 ( 11.361 -1.370 -13.272) 17.524 4.966 ( -0.464 7.423 0.312) 7.444 5.046 ( -0.173 1.945 -3.039) 3.612 5.242 ( -1.552 0.492 0.958) 1.890 5.304 ( -3.648 0.373 4.723) 5.979 5.420 ( 2.158 -1.200 2.978) 3.869 5.588 ( 3.437 1.014 2.303) 4.260 5.724 ( -1.684 -5.428 1.494) 5.876 5.843 ( 2.477 2.492 0.163) 3.518 5.931 ( -3.834 -6.864 1.535) 8.011 6.085 ( 7.042 4.455 5.437) 9.949 6.420 ( -5.454 -4.170 -2.194) 7.208 6.579 ( 1.145 -0.135 10.795) 10.856 6.816 ( 0.706 -1.280 -6.502) 6.664 6.897 ( 1.150 -12.210 -9.853) 15.732 7.100 ( -5.696 2.379 7.436) 9.665 7.212 ( -0.017 0.168 4.453) 4.456 7.344 ( 9.591 -1.520 -11.280) 14.884 7.436 ( 3.236 -5.442 1.186) 6.441 7.863 ( -1.657 1.799 -0.220) 2.456 7.986 ( -6.988 0.728 3.103) 7.680 8.236 ( 1.105 -1.434 0.431) 1.860 8.326 ( -0.512 5.678 4.494) 7.259 8.476 ( 5.061 0.088 0.507) 5.087 8.511 ( 4.148 -1.849 -2.854) 5.364 8.645 ( -1.705 1.281 -1.991) 2.918 8.888 ( 0.058 -1.628 3.092) 3.495 9.070 ( -7.767 -1.415 -1.175) 7.982 9.151 ( 1.739 3.667 2.426) 4.729 9.256 ( -2.066 2.623 3.445) 4.798 9.341 ( 2.441 3.442 -6.038) 7.366 9.487 ( 3.250 -1.556 0.974) 3.733 9.615 ( 7.048 1.961 -4.363) 8.518 9.714 ( -5.029 -1.784 -7.352) 9.085 9.859 ( -7.204 4.021 8.001) 11.493 10.190 ( -2.096 7.693 -1.400) 8.096 10.870 ( 3.356 -4.913 6.191) 8.587 11.125 ( 2.913 -5.424 -7.067) 9.373 11.341 ( -2.992 -6.746 -1.787) 7.593 11.529 ( 3.895 -2.348 5.004) 6.762 12.099 ( -9.255 1.998 23.748) 25.566 12.145 ( 6.356 1.033 -23.143) 24.022 13.319 ( -0.772 6.239 -0.502) 6.307 13.644 ( -0.051 0.277 0.014) 0.282 13.720 ( -0.096 1.304 -0.043) 1.308 14.711 ( 0.931 1.426 0.281) 1.727 14.819 ( -2.975 2.002 -2.128) 4.170 14.866 ( -1.198 3.383 0.575) 3.635 15.099 ( 2.676 -5.404 2.293) 6.451 20.843 ( 3.090 -1.048 3.930) 5.108 21.036 ( -0.376 -0.777 -0.766) 1.154 21.423 ( -3.759 4.842 -6.208) 8.724 22.005 ( 0.075 -0.113 -0.024) 0.138 22.007 ( 0.295 -0.484 0.330) 0.656 22.465 ( 2.765 -9.674 12.996) 16.436 23.302 ( 0.815 -1.196 2.842) 3.189 23.612 ( 1.238 0.302 -0.630) 1.421 23.925 ( -5.019 -1.995 -16.205) 17.081 24.341 ( -0.715 0.279 -0.300) 0.824 24.444 ( 4.323 3.655 6.284) 8.458 24.530 ( 4.303 3.355 6.180) 8.244 24.664 ( -1.271 1.759 -4.163) 4.695 24.772 ( 0.003 0.887 -1.814) 2.019 24.872 ( -1.549 1.225 -0.566) 2.054 24.970 ( -1.453 1.157 -2.926) 3.466 25.020 ( -4.378 2.998 -0.182) 5.310 25.751 ( 3.181 -11.633 1.256) 12.126 ======================= Grid point 16 (12/115) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -7.289 9.943 -4.938) 13.281 1.462 ( -3.864 1.171 -4.680) 6.181 1.822 ( -1.256 30.930 9.605) 32.412 2.213 ( -2.830 27.158 -11.036) 29.451 2.350 ( 0.900 -1.185 -0.011) 1.488 2.429 ( -0.523 15.013 -6.205) 16.253 2.573 ( -2.729 20.815 3.841) 21.342 2.699 ( 7.258 -8.039 17.629) 20.690 2.873 ( 0.076 -10.549 0.472) 10.560 3.042 ( 7.696 -7.423 -14.821) 18.275 3.109 ( -5.565 -4.557 5.789) 9.233 3.222 ( -7.176 -5.229 -1.599) 9.022 3.329 ( 5.626 -1.929 9.031) 10.813 3.641 ( -3.550 -4.307 -1.589) 5.803 3.805 ( 11.660 -6.128 -1.428) 13.249 3.882 ( 3.264 -3.126 0.905) 4.610 3.987 ( -8.253 -5.709 1.731) 10.183 4.140 ( -0.566 -3.917 2.063) 4.463 4.185 ( 3.712 -5.896 -0.838) 7.017 4.307 ( -6.300 -5.315 -5.042) 9.663 4.394 ( -2.873 -3.927 -2.125) 5.309 4.457 ( -2.917 1.344 -2.113) 3.845 4.729 ( 1.641 6.892 1.406) 7.223 4.879 ( -0.828 -2.795 -0.115) 2.918 4.940 ( -2.765 -2.673 -6.519) 7.569 5.096 ( 5.031 0.102 -2.316) 5.540 5.209 ( 0.212 0.103 -1.782) 1.797 5.307 ( -3.066 -2.686 1.201) 4.250 5.518 ( 4.553 -2.608 7.273) 8.968 5.618 ( 3.539 -2.409 -2.858) 5.148 5.734 ( -0.018 4.970 3.691) 6.191 5.790 ( 1.059 6.258 0.536) 6.370 6.008 ( -2.819 -5.597 -2.850) 6.884 6.101 ( 1.024 1.012 6.041) 6.210 6.390 ( -3.566 -0.533 -2.551) 4.417 6.656 ( 2.508 -0.447 12.363) 12.623 6.853 ( 1.623 -3.501 -5.511) 6.727 6.926 ( -3.566 7.778 -3.328) 9.181 7.147 ( 2.338 -15.900 -2.975) 16.344 7.324 ( 2.797 -7.698 4.951) 9.571 7.414 ( 4.558 -4.031 -14.003) 15.268 7.591 ( 2.479 -7.097 4.383) 8.702 7.802 ( -3.186 2.630 0.967) 4.243 7.901 ( -5.507 3.197 3.033) 7.053 8.216 ( -0.484 5.772 0.007) 5.793 8.273 ( -0.198 -0.813 3.112) 3.222 8.476 ( 1.572 5.080 0.811) 5.379 8.596 ( 8.534 -1.095 -1.292) 8.700 8.649 ( 1.318 -2.867 -0.424) 3.183 8.884 ( -8.923 -0.307 0.238) 8.931 9.005 ( 0.595 3.436 2.027) 4.033 9.091 ( 1.428 6.709 -0.608) 6.886 9.200 ( -1.526 2.492 2.286) 3.710 9.271 ( -0.563 3.637 -5.496) 6.614 9.528 ( 3.685 0.665 -0.650) 3.800 9.612 ( -1.832 0.905 -4.266) 4.730 9.705 ( 0.114 -3.917 -3.276) 5.108 9.779 ( -3.233 1.828 6.215) 7.240 10.009 ( -2.616 10.976 0.563) 11.297 11.041 ( 4.852 -8.166 6.857) 11.715 11.216 ( 0.360 -6.829 -10.009) 12.122 11.433 ( -2.804 -8.490 0.994) 8.996 11.653 ( 5.900 -4.509 3.547) 8.230 12.046 ( -10.931 3.370 26.063) 28.462 12.106 ( 7.342 1.263 -24.646) 25.747 13.157 ( -1.717 11.824 -0.635) 11.965 13.637 ( -0.058 0.464 0.081) 0.475 13.695 ( -0.204 1.427 -0.059) 1.443 14.695 ( 1.105 2.050 0.636) 2.414 14.750 ( -2.608 2.173 -1.246) 3.616 14.795 ( -1.340 3.836 0.032) 4.063 15.221 ( 1.850 -5.706 2.253) 6.407 20.892 ( 1.093 -0.662 2.445) 2.759 21.069 ( 1.391 -2.907 0.979) 3.368 21.286 ( -3.553 5.012 -4.496) 7.613 22.007 ( 0.006 -0.206 -0.008) 0.206 22.017 ( 0.166 -0.283 0.073) 0.336 22.714 ( 3.115 -10.242 18.783) 21.620 23.347 ( 1.804 -1.377 3.477) 4.152 23.626 ( 1.820 -0.428 1.568) 2.440 23.841 ( -5.934 -2.018 -21.754) 22.639 24.328 ( -0.076 0.526 -0.935) 1.075 24.434 ( 4.257 4.778 1.147) 6.501 24.524 ( 1.738 3.754 8.599) 9.542 24.610 ( -1.323 0.990 -6.464) 6.672 24.744 ( -0.853 0.673 -3.149) 3.331 24.826 ( -1.962 2.254 -0.164) 2.993 24.891 ( -2.396 2.353 -1.165) 3.555 24.985 ( 0.057 1.404 0.212) 1.421 25.989 ( 2.629 -13.015 0.705) 13.296 ======================= Grid point 17 (13/115) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.908 ( -0.000 25.190 -0.000) 25.190 1.260 ( -0.000 36.070 -0.000) 36.070 1.544 ( -0.000 43.451 -0.000) 43.451 1.591 ( 0.000 -12.055 0.000) 12.055 2.102 ( -0.000 28.648 -0.000) 28.648 2.149 ( -0.000 14.530 -0.000) 14.530 2.457 ( 0.000 -7.322 0.000) 7.322 2.955 ( 0.000 -7.146 0.000) 7.146 3.015 ( 0.000 -5.292 0.000) 5.292 3.111 ( 0.000 -5.594 0.000) 5.594 3.264 ( 0.000 -5.469 0.000) 5.469 3.310 ( 0.000 -4.610 0.000) 4.610 3.433 ( 0.000 -11.326 0.000) 11.326 3.648 ( 0.000 -3.710 0.000) 3.710 3.848 ( -0.000 6.171 -0.000) 6.171 3.954 ( 0.000 -0.483 0.000) 0.483 4.045 ( 0.000 -11.049 0.000) 11.049 4.256 ( 0.000 -0.925 0.000) 0.925 4.282 ( -0.000 5.158 -0.000) 5.158 4.374 ( 0.000 -17.591 0.000) 17.591 4.420 ( -0.000 0.423 -0.000) 0.423 4.437 ( 0.000 -8.431 0.000) 8.431 4.711 ( 0.000 -2.836 0.000) 2.836 4.958 ( 0.000 -3.554 0.000) 3.554 5.023 ( 0.000 -11.037 0.000) 11.037 5.097 ( 0.000 -2.137 0.000) 2.137 5.154 ( -0.000 8.123 -0.000) 8.123 5.317 ( -0.000 1.793 -0.000) 1.793 5.583 ( -0.000 4.508 -0.000) 4.508 5.586 ( -0.000 11.880 -0.000) 11.880 5.654 ( -0.000 0.385 -0.000) 0.385 5.755 ( 0.000 -4.981 0.000) 4.981 6.040 ( 0.000 -2.678 0.000) 2.678 6.155 ( 0.000 -6.137 0.000) 6.137 6.376 ( -0.000 0.617 -0.000) 0.617 6.586 ( -0.000 10.145 -0.000) 10.145 6.836 ( -0.000 4.185 -0.000) 4.185 6.962 ( 0.000 -10.723 0.000) 10.723 7.384 ( 0.000 -10.257 0.000) 10.257 7.414 ( -0.000 0.745 -0.000) 0.745 7.550 ( 0.000 -13.733 0.000) 13.733 7.678 ( 0.000 -2.166 0.000) 2.166 7.750 ( -0.000 1.546 -0.000) 1.546 7.861 ( 0.000 -1.382 0.000) 1.382 8.137 ( -0.000 3.745 -0.000) 3.745 8.295 ( 0.000 -0.851 0.000) 0.851 8.373 ( -0.000 7.569 -0.000) 7.569 8.656 ( -0.000 3.824 -0.000) 3.824 8.697 ( 0.000 -1.046 0.000) 1.046 8.760 ( -0.000 4.313 -0.000) 4.313 8.969 ( -0.000 7.657 -0.000) 7.657 8.993 ( 0.000 -0.752 0.000) 0.752 9.180 ( -0.000 5.920 -0.000) 5.920 9.185 ( 0.000 -0.894 0.000) 0.894 9.547 ( 0.000 -0.672 0.000) 0.672 9.563 ( -0.000 1.957 -0.000) 1.957 9.770 ( 0.000 -2.030 0.000) 2.030 9.775 ( 0.000 -1.160 0.000) 1.160 9.830 ( -0.000 7.043 -0.000) 7.043 11.242 ( 0.000 -8.465 0.000) 8.465 11.268 ( 0.000 -4.204 0.000) 4.204 11.583 ( 0.000 -11.791 0.000) 11.791 11.771 ( 0.000 -4.485 0.000) 4.485 11.987 ( -0.000 2.854 -0.000) 2.854 12.071 ( -0.000 1.665 -0.000) 1.665 12.918 ( -0.000 15.792 -0.000) 15.792 13.630 ( -0.000 0.404 -0.000) 0.404 13.674 ( -0.000 0.938 -0.000) 0.938 14.664 ( -0.000 2.272 -0.000) 2.272 14.704 ( -0.000 1.778 -0.000) 1.778 14.727 ( -0.000 3.454 -0.000) 3.454 15.321 ( 0.000 -4.660 0.000) 4.660 20.905 ( 0.000 -0.366 0.000) 0.366 21.146 ( 0.000 -3.859 0.000) 3.859 21.176 ( -0.000 4.441 -0.000) 4.441 22.011 ( 0.000 -0.293 0.000) 0.293 22.021 ( 0.000 -0.061 0.000) 0.061 22.950 ( 0.000 -9.987 0.000) 9.987 23.389 ( 0.000 -0.929 0.000) 0.929 23.691 ( 0.000 -3.288 0.000) 3.288 23.734 ( -0.000 1.173 -0.000) 1.173 24.319 ( -0.000 0.367 -0.000) 0.367 24.367 ( -0.000 5.493 -0.000) 5.493 24.506 ( -0.000 2.342 -0.000) 2.342 24.570 ( -0.000 0.602 -0.000) 0.602 24.726 ( -0.000 0.265 -0.000) 0.265 24.771 ( -0.000 2.934 -0.000) 2.934 24.854 ( -0.000 0.993 -0.000) 0.993 24.956 ( -0.000 2.190 -0.000) 2.190 26.200 ( 0.000 -10.815 0.000) 10.815 ======================= Grid point 20 (14/115) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( 23.885 -0.000 4.389) 24.285 1.263 ( 35.204 -0.000 -10.734) 36.804 1.581 ( 12.647 -0.000 -2.983) 12.994 1.742 ( -0.397 0.000 -0.691) 0.796 2.158 ( 34.788 -0.000 39.407) 52.565 2.392 ( -6.517 0.000 12.983) 14.527 2.506 ( -4.057 0.000 -20.479) 20.876 2.647 ( 15.007 -0.000 11.483) 18.897 2.815 ( -11.910 0.000 -26.083) 28.674 3.036 ( -4.602 0.000 5.003) 6.798 3.145 ( -6.900 0.000 -6.004) 9.147 3.309 ( -17.066 0.000 14.237) 22.225 3.414 ( -8.737 0.000 -2.932) 9.215 3.656 ( 4.286 -0.000 7.252) 8.424 3.938 ( -0.689 0.000 -3.116) 3.191 3.993 ( -4.765 0.000 2.775) 5.514 4.079 ( -8.019 0.000 0.407) 8.030 4.162 ( -6.700 0.000 0.357) 6.709 4.217 ( 0.089 -0.000 -5.203) 5.204 4.231 ( 4.975 -0.000 -8.050) 9.463 4.469 ( 4.682 -0.000 -9.773) 10.837 4.768 ( -5.541 0.000 -1.960) 5.878 4.864 ( -3.647 0.000 -2.387) 4.358 4.881 ( -5.875 0.000 -7.842) 9.799 5.106 ( 5.778 -0.000 2.736) 6.393 5.189 ( 0.604 -0.000 6.106) 6.136 5.252 ( 11.875 -0.000 5.512) 13.092 5.289 ( 0.468 -0.000 -9.448) 9.460 5.455 ( -2.524 0.000 -3.960) 4.696 5.465 ( 1.619 -0.000 -4.648) 4.922 5.713 ( 8.335 -0.000 8.379) 11.819 5.788 ( -3.487 0.000 8.178) 8.890 6.170 ( -16.965 0.000 11.331) 20.402 6.172 ( 3.321 -0.000 -9.233) 9.812 6.413 ( -6.750 0.000 11.692) 13.500 6.606 ( -13.138 0.000 -10.343) 16.721 6.697 ( 2.026 -0.000 8.900) 9.128 6.803 ( 10.005 -0.000 -7.097) 12.267 7.351 ( -10.467 0.000 -5.510) 11.829 7.491 ( 6.471 -0.000 11.177) 12.915 7.530 ( -11.639 0.000 -9.730) 15.171 7.719 ( -11.183 0.000 3.126) 11.611 7.828 ( 1.710 -0.000 1.005) 1.983 7.914 ( 1.630 -0.000 -6.144) 6.357 8.091 ( 4.693 -0.000 9.741) 10.813 8.218 ( 10.139 -0.000 -6.468) 12.027 8.381 ( -1.335 0.000 -2.965) 3.252 8.492 ( 0.921 -0.000 13.850) 13.881 8.696 ( 0.888 -0.000 3.949) 4.047 8.714 ( 4.329 -0.000 0.965) 4.435 8.860 ( -7.348 0.000 -2.000) 7.615 9.050 ( 3.983 -0.000 -2.981) 4.974 9.078 ( 2.212 -0.000 6.990) 7.332 9.329 ( 6.204 -0.000 -1.117) 6.304 9.495 ( 0.800 -0.000 -5.923) 5.977 9.597 ( -2.302 0.000 3.344) 4.059 9.715 ( -6.632 0.000 -1.263) 6.751 9.793 ( 5.704 -0.000 -2.381) 6.181 10.243 ( 2.076 -0.000 8.086) 8.349 11.061 ( -3.776 0.000 -6.660) 7.656 11.065 ( -4.192 0.000 -20.917) 21.333 11.451 ( -6.444 0.000 9.141) 11.184 11.702 ( -9.983 0.000 0.713) 10.008 11.947 ( 10.299 -0.000 -16.342) 19.316 12.299 ( 1.470 -0.000 12.079) 12.168 12.908 ( 13.239 -0.000 2.094) 13.404 13.622 ( 0.361 -0.000 -0.444) 0.573 13.684 ( 1.218 -0.000 0.210) 1.236 14.709 ( 2.538 -0.000 -0.876) 2.685 14.746 ( 3.142 -0.000 0.196) 3.148 14.803 ( 4.509 -0.000 0.488) 4.536 15.167 ( -0.861 0.000 -9.861) 9.899 20.970 ( -4.392 0.000 -0.251) 4.400 21.272 ( 0.138 -0.000 -7.605) 7.606 21.319 ( 2.341 -0.000 7.742) 8.088 21.948 ( 13.768 -0.000 -48.028) 49.962 22.015 ( -0.109 0.000 -0.198) 0.226 22.017 ( -0.193 0.000 -0.145) 0.242 23.336 ( -3.531 0.000 2.195) 4.158 23.656 ( 0.588 -0.000 1.035) 1.191 24.041 ( -2.985 0.000 1.784) 3.477 24.279 ( -1.732 0.000 -8.626) 8.798 24.514 ( 7.145 -0.000 3.199) 7.828 24.540 ( -8.657 0.000 16.101) 18.281 24.753 ( 0.195 -0.000 -0.861) 0.882 24.753 ( 0.556 -0.000 12.612) 12.624 24.861 ( 2.325 -0.000 4.514) 5.077 24.872 ( 2.863 -0.000 1.414) 3.193 25.007 ( -7.267 0.000 19.018) 20.360 26.104 ( -13.393 0.000 -2.637) 13.650 ======================= Grid point 21 (15/115) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.398 ( 20.455 -6.886 3.383) 21.846 1.584 ( 15.316 1.909 3.339) 15.792 1.746 ( 17.080 -10.441 -8.890) 21.903 1.807 ( 4.976 -8.717 -4.080) 10.835 2.295 ( -1.408 7.199 -7.545) 10.523 2.382 ( -5.366 3.018 -4.146) 7.422 2.630 ( 1.492 -9.963 4.589) 11.070 2.655 ( 6.772 -1.938 2.331) 7.419 2.922 ( 15.146 -6.918 20.132) 26.125 2.990 ( -8.740 2.683 -13.273) 16.117 3.045 ( -8.622 2.913 7.955) 12.087 3.100 ( -3.884 3.614 5.892) 7.929 3.405 ( -13.122 -5.221 3.779) 14.619 3.564 ( -1.421 10.754 0.934) 10.888 3.882 ( -7.144 4.245 3.904) 9.181 3.952 ( 2.304 4.025 1.404) 4.845 4.029 ( -2.938 -1.693 0.039) 3.391 4.085 ( -3.934 0.520 -0.974) 4.086 4.276 ( 1.152 -5.187 -5.108) 7.371 4.311 ( -1.717 -5.249 -0.916) 5.598 4.466 ( 8.747 3.747 -9.361) 13.348 4.684 ( -6.510 4.803 -0.848) 8.135 4.773 ( 0.993 -6.287 -3.610) 7.317 4.891 ( -3.754 -1.990 -6.256) 7.562 5.090 ( 3.397 6.796 1.043) 7.669 5.231 ( 1.813 0.188 4.130) 4.514 5.288 ( 3.406 -1.014 -5.518) 6.563 5.392 ( 5.378 -1.342 3.793) 6.717 5.408 ( -2.638 2.248 -10.248) 10.818 5.479 ( 0.288 -3.708 -0.434) 3.745 5.681 ( -1.929 8.567 9.303) 12.793 5.739 ( 6.419 6.866 5.366) 10.823 6.124 ( -7.948 -4.840 2.354) 9.599 6.171 ( -3.322 4.487 -1.411) 5.759 6.344 ( -9.202 0.478 5.417) 10.689 6.498 ( -7.961 -6.752 -7.383) 12.786 6.753 ( 0.420 2.491 5.269) 5.843 6.850 ( 5.365 -2.376 -1.387) 6.030 7.185 ( -8.241 7.229 -5.306) 12.179 7.370 ( -2.175 3.589 -12.333) 13.027 7.558 ( -1.415 4.238 6.560) 7.938 7.614 ( -5.500 0.541 5.817) 8.023 7.861 ( 3.109 0.214 0.410) 3.143 7.957 ( -2.067 -4.530 -0.538) 5.008 8.137 ( 4.168 0.432 6.460) 7.700 8.292 ( 8.177 0.234 -4.736) 9.452 8.384 ( -0.134 -3.849 -3.333) 5.094 8.534 ( 1.312 0.238 5.937) 6.085 8.692 ( -1.322 2.607 -0.878) 3.052 8.785 ( 6.320 -1.222 2.022) 6.747 8.801 ( -7.543 -1.699 2.564) 8.146 9.088 ( 3.375 -1.384 -1.656) 4.006 9.157 ( 1.033 -4.696 6.597) 8.164 9.388 ( 4.648 -1.222 -0.506) 4.832 9.493 ( -1.382 -1.862 -4.797) 5.328 9.583 ( -4.003 0.343 0.884) 4.114 9.649 ( -5.359 -0.917 -1.061) 5.539 9.861 ( 6.163 -0.702 2.768) 6.793 10.238 ( 5.800 4.589 3.522) 8.192 10.967 ( -2.075 -0.259 -8.204) 8.466 11.046 ( -5.792 -3.274 -9.344) 11.471 11.370 ( -5.943 4.841 4.282) 8.780 11.619 ( -9.289 -0.248 1.546) 9.420 12.005 ( 7.702 -2.182 -11.545) 14.049 12.303 ( 2.057 4.947 8.314) 9.891 13.091 ( 9.644 -6.576 2.267) 11.891 13.627 ( 0.520 -0.316 -0.633) 0.878 13.701 ( 1.430 -0.426 0.246) 1.512 14.735 ( 2.577 -0.370 -0.767) 2.714 14.784 ( 2.427 -0.991 0.871) 2.762 14.850 ( 4.520 -0.376 0.487) 4.562 15.116 ( -2.783 0.818 -6.336) 6.969 20.910 ( -3.055 2.718 1.050) 4.222 21.182 ( 1.506 5.591 -8.321) 10.137 21.395 ( 2.926 -2.465 9.157) 9.924 21.987 ( 4.855 -7.148 -33.790) 34.877 22.010 ( -0.155 0.022 -0.361) 0.393 22.019 ( 0.002 -1.456 -2.844) 3.195 23.302 ( -3.532 0.850 2.952) 4.681 23.657 ( 0.922 1.040 0.752) 1.580 24.024 ( -2.321 0.072 0.434) 2.362 24.254 ( -1.340 -2.058 -6.341) 6.800 24.504 ( -2.974 1.233 10.336) 10.826 24.606 ( 4.712 0.162 7.281) 8.674 24.754 ( 0.689 -0.457 -0.533) 0.983 24.783 ( -0.139 1.785 11.916) 12.050 24.891 ( 2.473 0.281 1.953) 3.164 24.922 ( 2.078 -1.869 0.586) 2.856 24.990 ( -3.137 1.052 10.127) 10.654 25.923 ( -14.440 4.291 -4.194) 15.638 ======================= Grid point 22 (16/115) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.603 ( 5.136 2.754 -1.946) 6.144 1.753 ( 10.381 -14.513 5.328) 18.622 1.862 ( 1.123 -2.753 1.496) 3.328 2.031 ( -1.969 3.419 -19.429) 19.825 2.215 ( 14.104 -9.890 -10.925) 20.399 2.425 ( 4.784 -2.977 19.300) 20.106 2.595 ( -5.059 -1.046 -11.975) 13.042 2.726 ( -9.535 3.140 -6.859) 12.158 2.846 ( 0.071 1.718 6.228) 6.461 2.967 ( 0.331 -3.710 6.177) 7.213 3.076 ( -3.366 -0.335 3.283) 4.714 3.318 ( 6.517 -5.393 6.746) 10.820 3.356 ( -5.530 -0.309 2.410) 6.040 3.439 ( 3.182 1.323 1.146) 3.631 3.741 ( -9.385 5.124 4.735) 11.695 3.872 ( -1.698 4.743 0.395) 5.053 3.972 ( 2.006 7.237 1.065) 7.585 4.109 ( -2.372 -2.710 3.652) 5.129 4.286 ( -2.756 0.455 1.067) 2.991 4.352 ( -0.838 -3.300 -5.201) 6.216 4.473 ( 6.147 2.263 -7.514) 9.968 4.680 ( -0.807 -8.855 3.506) 9.558 4.833 ( 1.536 2.726 -6.280) 7.016 4.898 ( 2.476 2.588 3.201) 4.804 5.006 ( 4.270 2.512 -4.149) 6.462 5.182 ( 1.125 10.033 -4.520) 11.061 5.288 ( -3.124 -0.274 1.454) 3.457 5.313 ( -1.317 -1.021 1.203) 2.056 5.432 ( -0.265 -2.099 -2.923) 3.609 5.552 ( -0.207 -1.958 5.260) 5.616 5.648 ( 4.814 2.578 1.849) 5.765 5.715 ( 1.599 0.671 1.394) 2.225 5.982 ( -7.001 8.427 -1.856) 11.112 6.113 ( 3.138 0.991 -8.442) 9.061 6.331 ( -13.179 -6.134 12.359) 19.080 6.525 ( -0.743 -1.637 -8.395) 8.586 6.705 ( -2.969 -0.363 2.688) 4.021 6.938 ( -10.157 7.322 -7.086) 14.387 6.982 ( 3.763 -4.880 5.313) 8.137 7.304 ( 4.946 4.260 -6.661) 9.326 7.462 ( -0.440 4.130 -1.419) 4.389 7.560 ( -4.155 5.787 8.739) 11.275 7.869 ( 1.543 0.941 2.749) 3.290 7.997 ( -1.450 -2.494 -1.633) 3.315 8.174 ( -0.099 -0.690 0.113) 0.706 8.364 ( 4.382 -1.672 1.360) 4.884 8.491 ( 7.056 -4.643 -2.739) 8.880 8.525 ( -0.727 1.312 1.489) 2.114 8.623 ( -0.736 3.675 -2.621) 4.574 8.790 ( -4.265 -3.914 0.803) 5.844 8.870 ( 4.479 -1.934 2.890) 5.671 9.138 ( 1.818 -2.070 -1.176) 2.995 9.247 ( -0.490 -2.035 4.924) 5.351 9.441 ( 2.767 -0.769 -0.506) 2.916 9.502 ( -2.755 0.380 -1.677) 3.248 9.528 ( -4.694 -4.540 -0.274) 6.536 9.652 ( -0.283 -2.400 -2.891) 3.768 9.908 ( 0.507 1.176 6.453) 6.579 10.275 ( 7.144 -0.084 0.010) 7.145 10.924 ( -3.347 0.340 -4.947) 5.983 11.021 ( -0.441 -0.566 -3.193) 3.272 11.257 ( -3.250 3.386 -1.131) 4.828 11.535 ( -8.924 1.204 3.919) 9.821 12.064 ( 5.032 -2.029 -8.687) 10.242 12.262 ( 0.889 4.499 5.930) 7.497 13.274 ( 5.512 -5.740 1.741) 8.147 13.636 ( 0.469 -0.421 -0.750) 0.980 13.724 ( 1.362 -0.599 0.257) 1.510 14.756 ( 1.931 0.284 -0.446) 2.002 14.821 ( 1.336 -0.908 0.961) 1.880 14.903 ( 3.280 -1.337 0.527) 3.581 15.047 ( -2.944 1.998 -3.456) 4.960 20.852 ( -0.390 2.866 3.006) 4.172 21.096 ( 0.581 2.943 -7.103) 7.711 21.500 ( 2.791 -2.508 7.455) 8.347 21.984 ( 0.340 -0.705 -7.722) 7.762 22.010 ( 0.067 0.010 -0.604) 0.608 22.056 ( -0.470 -6.734 -16.358) 17.696 23.272 ( -2.763 0.404 3.418) 4.413 23.648 ( 1.255 1.374 -0.121) 1.865 23.988 ( -2.486 1.028 -2.902) 3.958 24.273 ( -0.857 -3.229 -3.122) 4.573 24.512 ( -1.504 -0.205 9.098) 9.224 24.636 ( 4.853 4.707 8.493) 10.855 24.783 ( 2.171 -1.488 -1.926) 3.261 24.789 ( 1.187 2.338 8.068) 8.484 24.902 ( 0.191 0.901 2.204) 2.388 24.938 ( 0.188 0.141 -1.219) 1.242 25.034 ( 0.220 -3.885 4.393) 5.868 25.691 ( -12.678 5.476 -5.399) 14.828 ======================= Grid point 23 (17/115) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( -5.919 6.608 -13.419) 16.086 1.850 ( 2.121 -0.089 -2.797) 3.511 1.940 ( 2.346 -4.398 3.336) 5.998 2.107 ( 7.669 -10.811 7.051) 15.013 2.398 ( -0.850 -3.376 -1.996) 4.013 2.512 ( 5.713 2.993 -4.391) 7.803 2.615 ( 1.421 -5.373 13.704) 14.788 2.657 ( -7.569 -6.832 -6.710) 12.206 2.845 ( 0.703 -0.704 0.459) 1.096 3.043 ( -0.213 3.878 6.011) 7.156 3.105 ( 1.678 -9.516 -4.174) 10.526 3.303 ( -3.851 -0.286 -3.091) 4.946 3.345 ( 4.946 1.718 -0.973) 5.325 3.522 ( -1.069 -1.280 -1.191) 2.049 3.614 ( -4.198 2.078 0.569) 4.719 3.762 ( 3.514 10.771 2.087) 11.520 3.877 ( -7.227 2.401 4.757) 8.979 4.118 ( -4.815 -1.469 1.469) 5.244 4.291 ( 0.992 0.744 8.944) 9.029 4.323 ( -0.661 2.502 -9.992) 10.322 4.498 ( 4.628 0.243 -2.702) 5.365 4.693 ( -4.631 9.942 -3.983) 11.669 4.745 ( -0.910 6.322 -1.172) 6.494 4.869 ( 3.431 -4.405 1.986) 5.926 5.069 ( 5.017 3.521 -0.999) 6.211 5.097 ( 9.420 -2.127 -0.976) 9.706 5.296 ( -3.679 0.412 1.971) 4.194 5.345 ( -1.085 -3.228 7.940) 8.640 5.426 ( 1.489 1.655 -8.247) 8.542 5.576 ( 1.278 -0.988 4.756) 5.022 5.649 ( 2.440 2.334 0.980) 3.516 5.729 ( -4.289 -0.412 -0.787) 4.380 5.827 ( -6.035 -0.571 -1.277) 6.195 6.164 ( 6.849 -5.627 -10.326) 13.609 6.309 ( -6.301 1.526 7.031) 9.564 6.512 ( -1.444 -0.042 5.209) 5.406 6.687 ( -6.372 -1.189 -9.281) 11.321 6.777 ( -6.490 -2.032 -2.394) 7.210 7.101 ( 3.752 -1.356 9.522) 10.324 7.259 ( 1.885 2.169 -0.118) 2.876 7.407 ( 1.872 4.831 -4.278) 6.719 7.458 ( 0.327 4.400 2.619) 5.131 7.887 ( 1.523 -0.179 -0.335) 1.570 7.992 ( -2.812 0.127 -0.134) 2.818 8.187 ( 0.060 -1.367 0.245) 1.390 8.413 ( 1.278 -0.389 3.728) 3.960 8.466 ( 0.236 2.974 -0.074) 2.984 8.550 ( 2.841 3.238 -4.020) 5.892 8.649 ( 3.163 -4.367 0.517) 5.417 8.814 ( -3.802 -2.596 -1.147) 4.745 8.955 ( 0.528 -3.689 3.104) 4.850 9.172 ( 1.176 -1.160 -1.946) 2.553 9.277 ( 2.070 -1.108 1.671) 2.882 9.419 ( -0.226 2.659 -2.728) 3.816 9.488 ( -0.616 -0.357 3.885) 3.950 9.590 ( -5.287 -6.446 -4.258) 9.362 9.691 ( 5.629 -0.614 -3.600) 6.710 9.894 ( -5.024 0.767 8.103) 9.566 10.320 ( 2.958 0.990 -2.149) 3.788 10.878 ( -0.358 2.104 3.584) 4.171 11.015 ( -0.247 -0.426 -4.964) 4.988 11.221 ( 2.088 -0.561 -3.419) 4.045 11.464 ( -7.470 -1.001 4.872) 8.974 12.101 ( 2.577 -1.181 -5.435) 6.130 12.218 ( -0.506 3.446 3.550) 4.973 13.380 ( 2.477 -2.079 0.852) 3.344 13.643 ( 0.242 -0.302 -0.574) 0.693 13.742 ( 0.854 -0.052 0.165) 0.871 14.757 ( 1.191 1.213 -0.095) 1.703 14.840 ( -0.372 -0.344 -0.387) 0.638 14.953 ( 1.186 -0.805 1.545) 2.107 14.985 ( -0.706 1.047 -1.653) 2.080 20.841 ( 2.139 1.156 4.804) 5.384 21.040 ( -1.035 1.006 -5.723) 5.903 21.541 ( 0.454 1.801 0.408) 1.901 21.987 ( 0.681 -0.702 -0.605) 1.150 22.008 ( -0.004 0.133 -0.066) 0.149 22.132 ( -0.530 -9.720 -7.436) 12.250 23.266 ( -1.478 -0.704 2.978) 3.399 23.638 ( 1.257 1.213 -0.696) 1.880 23.927 ( -2.648 1.578 -5.445) 6.257 24.307 ( -0.677 -2.470 -1.190) 2.824 24.535 ( -0.760 0.290 8.720) 8.758 24.634 ( 6.031 4.491 6.306) 9.814 24.774 ( 1.839 4.208 2.644) 5.299 24.804 ( 2.160 0.684 -2.589) 3.441 24.893 ( -0.865 0.152 0.290) 0.925 24.942 ( -0.354 -1.106 0.082) 1.164 25.086 ( -3.453 -1.280 0.665) 3.742 25.528 ( -5.952 -0.442 -3.403) 6.870 ======================= Grid point 24 (18/115) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.252 ( -10.603 7.773 -14.048) 19.241 1.859 ( 2.074 6.091 -1.124) 6.532 2.182 ( 12.596 -10.350 16.046) 22.875 2.267 ( 0.547 -0.290 5.317) 5.353 2.398 ( -3.366 -4.125 4.541) 6.997 2.542 ( -2.170 -7.320 -14.074) 16.011 2.695 ( -4.072 -6.860 -4.292) 9.059 2.739 ( 4.568 2.599 12.253) 13.333 2.820 ( 0.755 3.406 -6.446) 7.329 3.011 ( 2.122 3.941 5.686) 7.236 3.208 ( -2.239 -2.369 -5.407) 6.313 3.243 ( -0.909 5.224 -5.005) 7.291 3.355 ( -1.635 -0.444 0.122) 1.698 3.532 ( 6.801 2.298 3.677) 8.066 3.597 ( -1.402 -3.167 -1.173) 3.657 3.653 ( 0.243 1.070 4.137) 4.280 3.846 ( -7.110 -8.281 -3.181) 11.369 4.032 ( -6.201 5.297 -2.978) 8.682 4.239 ( 0.689 5.303 0.977) 5.436 4.294 ( 5.897 4.448 -1.294) 7.499 4.440 ( -8.407 8.667 5.652) 13.332 4.505 ( -1.197 -0.253 -5.565) 5.698 4.740 ( 3.318 -2.849 0.176) 4.376 4.971 ( 10.424 -0.736 -8.368) 13.387 5.017 ( -1.720 4.188 2.948) 5.403 5.202 ( 1.039 8.171 -1.362) 8.349 5.229 ( 0.588 -1.965 2.081) 2.922 5.320 ( -4.713 6.868 5.497) 9.980 5.436 ( 4.795 -3.914 0.264) 6.196 5.597 ( 0.108 0.561 -4.982) 5.014 5.662 ( 0.848 -2.100 5.192) 5.665 5.763 ( -2.258 -8.666 0.511) 8.970 5.827 ( -3.932 -3.406 0.860) 5.273 6.253 ( 2.297 4.431 4.453) 6.689 6.293 ( 1.578 -6.073 -6.590) 9.100 6.563 ( -0.305 -4.655 7.909) 9.182 6.660 ( -4.228 -7.149 -5.717) 10.083 6.758 ( -4.332 -3.033 -6.828) 8.637 7.158 ( 3.619 2.737 11.641) 12.494 7.259 ( -0.362 2.075 -1.907) 2.842 7.374 ( 1.078 -3.062 0.493) 3.283 7.408 ( 3.064 3.569 -4.757) 6.690 7.884 ( 1.651 1.945 -3.355) 4.215 7.955 ( -4.796 0.383 3.857) 6.167 8.219 ( 0.884 -1.720 0.053) 1.934 8.397 ( -2.008 3.273 1.241) 4.036 8.474 ( 1.734 -3.303 1.324) 3.959 8.555 ( 6.973 1.229 -1.160) 7.175 8.669 ( 0.115 3.305 -2.623) 4.221 8.810 ( -6.945 -4.228 0.637) 8.156 9.002 ( -1.047 -1.588 1.977) 2.743 9.195 ( 1.604 -0.428 -0.219) 1.675 9.315 ( 2.818 2.072 2.396) 4.240 9.377 ( 0.133 1.598 -3.697) 4.030 9.506 ( 1.365 -0.906 3.631) 3.984 9.597 ( -5.115 -3.151 -5.085) 7.871 9.726 ( 8.950 3.283 -7.028) 11.844 9.847 ( -8.946 0.486 8.894) 12.624 10.278 ( 0.021 4.893 -1.432) 5.098 10.883 ( 2.827 0.661 5.810) 6.495 11.019 ( -2.231 -4.864 -6.007) 8.045 11.256 ( 1.718 -2.062 -1.636) 3.143 11.488 ( -1.702 -5.392 3.056) 6.427 12.114 ( -0.883 -0.187 2.499) 2.657 12.164 ( 0.508 3.315 -3.044) 4.529 13.392 ( 0.548 2.640 0.093) 2.698 13.646 ( 0.050 -0.029 -0.173) 0.183 13.740 ( 0.229 0.978 0.038) 1.005 14.747 ( 1.220 1.178 0.332) 1.728 14.815 ( -1.746 1.620 -1.287) 2.708 14.917 ( -0.548 3.229 0.431) 3.303 15.039 ( 1.254 -4.559 0.646) 4.772 20.881 ( 3.270 -0.116 4.955) 5.938 21.004 ( -2.056 -0.720 -4.169) 4.704 21.467 ( -1.154 5.432 -2.531) 6.103 22.002 ( 0.331 -0.542 0.158) 0.655 22.005 ( -0.028 0.062 0.010) 0.069 22.314 ( 0.727 -13.137 1.638) 13.258 23.288 ( -0.241 -1.834 2.157) 2.841 23.629 ( 0.950 0.720 -0.594) 1.332 23.854 ( -2.335 1.995 -5.904) 6.655 24.326 ( -0.492 -0.955 -0.399) 1.146 24.547 ( 0.475 1.433 6.882) 7.045 24.650 ( 6.117 3.009 2.209) 7.166 24.707 ( 0.430 5.724 0.973) 5.822 24.782 ( -0.627 1.938 -3.076) 3.689 24.877 ( -0.705 0.869 -0.507) 1.229 24.960 ( -0.011 -0.362 -0.723) 0.808 25.012 ( -5.251 2.078 -1.140) 5.761 25.593 ( 0.215 -9.711 0.025) 9.713 ======================= Grid point 25 (19/115) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 0.000 -3.530 0.000) 3.530 1.680 ( -0.000 15.722 -0.000) 15.722 2.229 ( -0.000 9.204 -0.000) 9.204 2.348 ( -0.000 6.214 -0.000) 6.214 2.458 ( -0.000 1.604 -0.000) 1.604 2.635 ( 0.000 -9.015 0.000) 9.015 2.661 ( -0.000 10.086 -0.000) 10.086 2.698 ( 0.000 -2.121 0.000) 2.121 2.805 ( -0.000 2.811 -0.000) 2.811 3.000 ( 0.000 -2.564 0.000) 2.564 3.084 ( -0.000 7.744 -0.000) 7.744 3.131 ( -0.000 4.511 -0.000) 4.511 3.352 ( 0.000 -0.422 0.000) 0.422 3.568 ( 0.000 -2.604 0.000) 2.604 3.686 ( 0.000 -9.720 0.000) 9.720 3.800 ( 0.000 -11.178 0.000) 11.178 3.910 ( -0.000 3.006 -0.000) 3.006 4.010 ( 0.000 -15.397 0.000) 15.397 4.161 ( -0.000 0.838 -0.000) 0.838 4.218 ( -0.000 9.581 -0.000) 9.581 4.370 ( 0.000 -2.901 0.000) 2.901 4.474 ( -0.000 2.584 -0.000) 2.584 4.841 ( 0.000 -5.414 0.000) 5.414 4.878 ( -0.000 6.801 -0.000) 6.801 4.981 ( -0.000 14.514 -0.000) 14.514 5.109 ( 0.000 -6.578 0.000) 6.578 5.183 ( -0.000 5.122 -0.000) 5.122 5.275 ( 0.000 -0.829 0.000) 0.829 5.551 ( 0.000 -2.094 0.000) 2.094 5.558 ( 0.000 -1.318 0.000) 1.318 5.736 ( 0.000 -3.957 0.000) 3.957 5.851 ( 0.000 -0.567 0.000) 0.567 5.893 ( 0.000 -7.236 0.000) 7.236 6.196 ( -0.000 6.276 -0.000) 6.276 6.340 ( 0.000 -2.152 0.000) 2.152 6.629 ( 0.000 -3.103 0.000) 3.103 6.781 ( 0.000 -5.149 0.000) 5.149 6.864 ( 0.000 -17.427 0.000) 17.427 7.100 ( -0.000 12.087 -0.000) 12.087 7.224 ( 0.000 -3.938 0.000) 3.938 7.392 ( 0.000 -0.784 0.000) 0.784 7.492 ( 0.000 -7.798 0.000) 7.798 7.837 ( -0.000 3.267 -0.000) 3.267 7.922 ( -0.000 1.837 -0.000) 1.837 8.253 ( 0.000 -1.734 0.000) 1.734 8.315 ( -0.000 5.848 -0.000) 5.848 8.562 ( 0.000 -4.710 0.000) 4.710 8.577 ( -0.000 5.471 -0.000) 5.471 8.614 ( 0.000 -3.372 0.000) 3.372 8.824 ( 0.000 -1.665 0.000) 1.665 9.019 ( 0.000 -0.944 0.000) 0.944 9.185 ( -0.000 3.581 -0.000) 3.581 9.294 ( -0.000 2.455 -0.000) 2.455 9.299 ( -0.000 6.074 -0.000) 6.074 9.566 ( 0.000 -0.953 0.000) 0.953 9.587 ( 0.000 -2.138 0.000) 2.138 9.684 ( -0.000 3.945 -0.000) 3.945 9.802 ( -0.000 1.555 -0.000) 1.555 10.162 ( -0.000 8.826 -0.000) 8.826 10.953 ( 0.000 -5.984 0.000) 5.984 11.091 ( 0.000 -6.262 0.000) 6.262 11.315 ( 0.000 -5.040 0.000) 5.040 11.591 ( 0.000 -6.342 0.000) 6.342 12.101 ( -0.000 3.775 -0.000) 3.775 12.112 ( -0.000 0.554 -0.000) 0.554 13.310 ( -0.000 7.638 -0.000) 7.638 13.644 ( -0.000 0.294 -0.000) 0.294 13.719 ( -0.000 1.584 -0.000) 1.584 14.744 ( -0.000 0.704 -0.000) 0.704 14.758 ( -0.000 3.101 -0.000) 3.101 14.856 ( -0.000 3.998 -0.000) 3.998 15.135 ( 0.000 -6.043 0.000) 6.043 20.906 ( -0.000 0.403 -0.000) 0.403 21.019 ( 0.000 -3.295 0.000) 3.295 21.356 ( -0.000 6.284 -0.000) 6.284 22.005 ( 0.000 -0.062 0.000) 0.062 22.012 ( 0.000 -0.462 0.000) 0.462 22.548 ( 0.000 -13.974 0.000) 13.974 23.329 ( 0.000 -2.431 0.000) 2.431 23.630 ( 0.000 -0.354 0.000) 0.354 23.790 ( -0.000 2.307 -0.000) 2.307 24.329 ( -0.000 0.026 -0.000) 0.026 24.536 ( -0.000 2.945 -0.000) 2.945 24.614 ( -0.000 4.149 -0.000) 4.149 24.636 ( -0.000 4.821 -0.000) 4.821 24.736 ( -0.000 0.674 -0.000) 0.674 24.851 ( -0.000 1.769 -0.000) 1.769 24.916 ( -0.000 2.693 -0.000) 2.693 24.994 ( 0.000 -0.268 0.000) 0.268 25.787 ( 0.000 -13.058 0.000) 13.058 ======================= Grid point 30 (20/115) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 19.724 -0.000 -10.589) 22.387 1.727 ( 2.289 -0.000 4.308) 4.878 1.788 ( 22.446 -0.000 -10.360) 24.721 1.870 ( 11.480 -0.000 10.956) 15.869 2.296 ( -17.694 0.000 -25.440) 30.988 2.347 ( 2.042 -0.000 -13.284) 13.440 2.356 ( -3.741 0.000 10.125) 10.794 2.835 ( 0.042 -0.000 -0.774) 0.775 2.935 ( 3.125 -0.000 -0.108) 3.127 3.009 ( 9.244 -0.000 7.857) 12.132 3.051 ( -18.108 0.000 13.089) 22.343 3.145 ( 9.731 -0.000 18.479) 20.885 3.288 ( -3.745 0.000 6.729) 7.701 3.612 ( -7.580 0.000 -1.294) 7.689 3.855 ( -13.688 0.000 10.588) 17.305 3.894 ( -5.507 0.000 -6.347) 8.403 4.043 ( -5.094 0.000 7.130) 8.763 4.108 ( 13.544 -0.000 2.020) 13.694 4.238 ( 1.766 -0.000 -4.688) 5.010 4.276 ( 3.188 -0.000 -1.823) 3.672 4.548 ( 1.553 -0.000 -9.311) 9.440 4.632 ( -6.572 0.000 -1.845) 6.826 4.743 ( 7.451 -0.000 -11.426) 13.641 4.790 ( 1.327 -0.000 -5.448) 5.607 5.206 ( -2.806 0.000 6.699) 7.263 5.208 ( 1.891 -0.000 -2.193) 2.895 5.291 ( 2.706 -0.000 -5.414) 6.053 5.371 ( 1.135 -0.000 -5.600) 5.714 5.407 ( -1.872 0.000 -8.927) 9.121 5.530 ( 7.578 -0.000 5.026) 9.093 5.771 ( -3.821 0.000 7.530) 8.444 5.916 ( 4.467 -0.000 5.800) 7.321 5.950 ( -12.306 0.000 13.551) 18.305 6.154 ( -1.092 0.000 -7.873) 7.949 6.303 ( -9.128 0.000 7.178) 11.612 6.332 ( -5.814 0.000 -10.752) 12.223 6.815 ( 3.816 -0.000 7.612) 8.515 6.819 ( -5.031 0.000 -0.758) 5.088 7.156 ( -9.837 0.000 -5.712) 11.375 7.386 ( 9.493 -0.000 -13.983) 16.901 7.519 ( -11.100 0.000 0.389) 11.107 7.638 ( 2.356 -0.000 3.816) 4.485 7.887 ( 3.389 -0.000 2.315) 4.104 7.943 ( 4.573 -0.000 -0.028) 4.573 8.183 ( -3.192 0.000 10.075) 10.569 8.329 ( -0.837 0.000 -2.751) 2.875 8.348 ( 5.073 -0.000 -3.431) 6.124 8.563 ( 0.158 -0.000 7.730) 7.731 8.711 ( -3.672 0.000 -3.962) 5.402 8.713 ( -0.022 0.000 -0.507) 0.507 8.874 ( 6.816 -0.000 7.179) 9.899 9.104 ( 3.966 -0.000 -3.770) 5.472 9.137 ( -0.850 0.000 6.736) 6.789 9.409 ( 2.660 -0.000 -0.924) 2.817 9.445 ( -0.833 0.000 -6.978) 7.027 9.566 ( -1.969 0.000 1.947) 2.769 9.575 ( -7.230 0.000 -0.266) 7.235 9.923 ( 5.338 -0.000 3.526) 6.397 10.331 ( 3.056 -0.000 3.031) 4.304 10.846 ( -5.358 0.000 -13.875) 14.874 11.022 ( 2.766 -0.000 -1.556) 3.174 11.375 ( -6.977 0.000 5.126) 8.657 11.522 ( -8.524 0.000 -0.643) 8.548 12.021 ( 6.638 -0.000 -8.408) 10.712 12.394 ( 1.679 -0.000 5.945) 6.178 13.130 ( 8.536 -0.000 1.874) 8.739 13.628 ( 0.578 -0.000 -0.687) 0.898 13.712 ( 1.455 -0.000 0.199) 1.469 14.755 ( 2.739 -0.000 -0.561) 2.795 14.796 ( 1.687 -0.000 0.805) 1.869 14.896 ( 4.492 -0.000 0.680) 4.544 15.075 ( -3.072 0.000 -4.912) 5.793 20.909 ( -2.446 0.000 1.848) 3.065 21.206 ( -0.637 0.000 -9.253) 9.275 21.436 ( 2.461 -0.000 12.101) 12.349 21.848 ( 6.137 -0.000 -32.547) 33.120 22.011 ( -0.171 0.000 -0.162) 0.236 22.012 ( -0.319 0.000 0.200) 0.376 23.285 ( -3.210 0.000 2.000) 3.782 23.678 ( 0.733 -0.000 1.261) 1.459 24.019 ( -0.846 0.000 1.547) 1.763 24.201 ( -1.140 0.000 -5.633) 5.747 24.503 ( -4.532 0.000 8.139) 9.316 24.690 ( 8.015 -0.000 4.305) 9.098 24.751 ( 0.974 -0.000 -1.235) 1.573 24.841 ( -0.028 0.000 10.440) 10.440 24.922 ( 2.521 -0.000 -0.377) 2.550 24.927 ( 1.542 -0.000 3.261) 3.607 25.006 ( -3.614 0.000 9.401) 10.072 25.796 ( -15.756 0.000 -5.593) 16.719 ======================= Grid point 31 (21/115) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( 12.089 -3.464 -5.931) 13.904 1.728 ( 3.231 2.040 5.884) 7.015 1.902 ( 0.718 2.920 -1.736) 3.472 1.974 ( 5.676 -2.153 -8.775) 10.670 2.141 ( -1.834 -8.865 -16.326) 18.668 2.372 ( -0.394 -2.694 -1.976) 3.364 2.470 ( 8.347 -5.905 8.476) 13.281 2.718 ( -6.719 4.960 -13.500) 15.874 2.909 ( -1.398 3.460 4.371) 5.747 2.943 ( -6.690 0.607 11.709) 13.499 3.097 ( 1.774 -1.698 1.255) 2.757 3.229 ( -8.916 -3.142 5.100) 10.742 3.417 ( 12.123 -0.474 14.973) 19.271 3.503 ( -2.470 4.272 -3.146) 5.852 3.743 ( -13.318 1.828 9.776) 16.622 3.831 ( -1.260 2.669 -3.459) 4.547 4.057 ( -0.898 -2.483 9.158) 9.531 4.210 ( 3.365 4.129 -4.813) 7.179 4.228 ( 3.852 1.241 2.629) 4.826 4.326 ( 3.656 -1.870 -1.905) 4.527 4.475 ( -1.823 -1.238 -7.114) 7.448 4.588 ( -1.649 -2.646 2.701) 4.125 4.831 ( 8.604 -2.202 -10.237) 13.552 4.906 ( 7.648 -7.822 -3.104) 11.372 5.107 ( -1.170 7.484 -3.927) 8.532 5.225 ( -4.594 -0.659 5.000) 6.822 5.272 ( -2.250 2.180 -2.975) 4.320 5.319 ( 1.630 1.982 -9.951) 10.277 5.452 ( -0.265 -4.940 -1.710) 5.234 5.475 ( 0.175 5.667 4.263) 7.094 5.763 ( 0.530 3.612 5.127) 6.294 5.864 ( -0.384 9.805 6.393) 11.711 5.946 ( -6.128 -5.669 2.456) 8.702 6.089 ( -3.918 1.907 -6.053) 7.458 6.230 ( -6.041 1.782 4.692) 7.854 6.375 ( 0.734 -8.868 -5.294) 10.354 6.738 ( -4.070 2.676 1.590) 5.124 6.934 ( 2.955 -5.870 6.121) 8.981 6.964 ( -8.643 8.638 -4.869) 13.154 7.391 ( -0.042 3.309 -4.950) 5.954 7.467 ( 3.652 -1.016 -7.582) 8.477 7.637 ( -0.248 3.015 4.018) 5.030 7.946 ( 1.469 4.336 4.261) 6.254 7.956 ( 3.837 -2.013 0.142) 4.336 8.167 ( -4.399 0.440 4.426) 6.256 8.318 ( -0.959 -2.966 -2.763) 4.165 8.428 ( 2.302 -6.326 0.684) 6.766 8.603 ( 3.255 1.256 1.184) 3.684 8.664 ( 0.746 2.120 -1.970) 2.989 8.705 ( -2.382 -0.884 0.833) 2.673 8.945 ( 5.350 1.582 5.647) 7.938 9.129 ( 2.562 -0.898 -2.846) 3.933 9.194 ( -1.297 -4.842 4.563) 6.779 9.414 ( -3.093 -0.535 -4.390) 5.396 9.435 ( 1.168 -1.640 -0.806) 2.169 9.492 ( -4.772 1.383 -0.343) 4.980 9.599 ( -0.122 -3.465 0.644) 3.526 9.963 ( 1.776 1.467 3.707) 4.364 10.347 ( 3.977 1.739 0.607) 4.383 10.796 ( -5.153 -3.998 -8.394) 10.630 11.061 ( 6.058 -0.059 -0.687) 6.097 11.284 ( -5.390 3.879 1.803) 6.881 11.462 ( -7.918 -0.673 1.132) 8.026 12.058 ( 4.162 -1.025 -5.386) 6.883 12.377 ( 1.285 5.169 3.628) 6.445 13.244 ( 5.056 -4.507 1.401) 6.917 13.632 ( 0.434 -0.231 -0.664) 0.827 13.729 ( 1.209 -0.418 0.170) 1.290 14.776 ( 2.106 0.183 -0.356) 2.144 14.819 ( 0.746 -0.850 0.841) 1.410 14.932 ( 3.385 0.305 0.506) 3.436 15.028 ( -2.811 0.515 -2.885) 4.061 20.892 ( -0.763 1.014 3.535) 3.756 21.124 ( -0.536 4.112 -8.596) 9.544 21.529 ( 2.691 -2.111 13.201) 13.637 21.837 ( 1.950 -5.822 -25.778) 26.499 22.004 ( -0.307 0.286 0.046) 0.423 22.013 ( -0.197 -0.070 0.065) 0.218 23.263 ( -2.347 0.251 1.820) 2.980 23.679 ( 0.743 1.026 0.685) 1.440 23.998 ( -0.743 2.202 -0.165) 2.330 24.204 ( -0.576 -3.002 -2.874) 4.195 24.503 ( -2.405 -1.249 5.393) 6.035 24.755 ( 0.497 -1.921 -0.475) 2.040 24.767 ( 5.422 2.837 3.888) 7.250 24.868 ( 2.717 0.905 6.931) 7.500 24.934 ( 1.164 0.620 0.019) 1.319 24.958 ( 0.675 1.386 3.124) 3.483 25.004 ( -0.815 -1.148 5.309) 5.493 25.608 ( -14.106 2.505 -6.578) 15.764 ======================= Grid point 32 (22/115) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 1.231 12.017 0.221) 12.081 1.811 ( 1.137 -4.143 -0.916) 4.393 1.898 ( 4.397 -5.131 4.471) 8.103 2.059 ( 6.643 -6.416 -1.870) 9.423 2.217 ( -12.003 -11.799 -16.168) 23.338 2.400 ( 0.418 -0.168 -1.001) 1.097 2.612 ( 1.575 -1.446 -5.534) 5.932 2.658 ( 5.313 -2.605 6.973) 9.146 2.831 ( -3.823 2.230 3.747) 5.799 2.999 ( 4.739 -3.506 5.108) 7.800 3.119 ( -2.019 -1.378 0.073) 2.446 3.243 ( -2.513 -3.611 4.939) 6.615 3.411 ( -2.472 3.466 -5.686) 7.103 3.500 ( 6.350 1.391 0.168) 6.502 3.631 ( -8.647 2.752 10.070) 13.556 3.740 ( -5.531 2.490 -5.248) 8.021 4.106 ( -0.705 1.467 2.776) 3.218 4.118 ( 5.371 13.648 2.270) 14.842 4.247 ( 1.476 -5.900 0.998) 6.163 4.331 ( -1.564 1.965 -3.547) 4.346 4.519 ( 2.884 -4.357 -0.879) 5.298 4.730 ( 3.472 -6.427 4.106) 8.380 4.858 ( 1.458 7.973 -1.997) 8.347 4.877 ( -2.056 7.222 -5.417) 9.259 5.080 ( 0.936 -5.219 -0.610) 5.337 5.180 ( 1.584 2.031 0.738) 2.679 5.267 ( 3.530 -2.041 -3.697) 5.504 5.296 ( -3.062 -1.817 3.287) 4.846 5.437 ( 3.225 1.287 -1.841) 3.930 5.544 ( -2.780 -3.523 2.555) 5.164 5.671 ( -4.017 0.315 -1.734) 4.387 5.743 ( 1.457 6.779 0.756) 6.975 5.906 ( 0.560 10.675 -0.531) 10.703 6.071 ( -2.460 -7.150 -3.260) 8.234 6.206 ( -5.048 -3.528 4.708) 7.752 6.498 ( 1.130 -5.816 -2.386) 6.387 6.667 ( -1.891 4.617 -0.101) 4.990 6.748 ( -4.700 6.017 -2.028) 7.900 7.086 ( 2.610 -6.525 5.447) 8.891 7.301 ( -2.506 3.312 -1.839) 4.542 7.493 ( 6.794 1.607 -8.706) 11.159 7.552 ( -3.004 7.723 6.725) 10.672 7.912 ( 0.631 1.484 3.265) 3.642 7.987 ( 0.762 1.154 -2.178) 2.579 8.155 ( -1.500 -2.135 1.141) 2.848 8.377 ( -0.924 -4.639 0.094) 4.731 8.539 ( -0.558 5.561 1.965) 5.925 8.558 ( 2.214 -5.363 -3.993) 7.043 8.658 ( 4.175 1.312 2.506) 5.043 8.731 ( -2.634 -2.287 -0.739) 3.566 8.966 ( 2.405 1.126 2.236) 3.472 9.157 ( 1.238 -1.303 -2.000) 2.689 9.274 ( 1.972 -3.767 1.610) 4.547 9.388 ( -6.504 -3.155 -1.029) 7.302 9.444 ( -0.876 0.619 -2.100) 2.358 9.487 ( 0.172 -3.410 1.093) 3.585 9.670 ( 1.414 -4.059 -0.031) 4.298 9.933 ( -0.693 3.792 2.662) 4.685 10.355 ( 2.094 1.136 -0.982) 2.577 10.813 ( -2.849 -5.112 -1.621) 6.073 11.083 ( 3.515 5.076 -1.238) 6.297 11.236 ( 2.997 -1.640 -0.843) 3.519 11.385 ( -8.830 0.928 2.581) 9.246 12.088 ( 1.792 -1.047 -2.907) 3.572 12.302 ( 0.388 5.620 1.829) 5.923 13.354 ( 1.954 -4.086 0.676) 4.579 13.638 ( 0.176 -0.327 -0.423) 0.563 13.746 ( 0.640 -0.422 0.104) 0.774 14.781 ( 0.838 0.835 -0.210) 1.201 14.835 ( 0.002 -0.335 0.355) 0.488 14.957 ( 1.771 -0.389 0.375) 1.852 14.989 ( -1.428 0.935 -1.054) 2.006 20.895 ( 1.154 0.657 5.185) 5.353 21.030 ( -1.228 2.847 -7.096) 7.744 21.594 ( 1.629 1.954 5.285) 5.866 21.908 ( 0.412 -10.463 -10.285) 14.678 21.999 ( -0.585 -0.327 -0.250) 0.716 22.011 ( -0.200 0.076 0.078) 0.227 23.252 ( -1.121 -0.336 1.290) 1.741 23.666 ( 0.571 1.386 -0.016) 1.499 23.942 ( -0.784 3.178 -1.406) 3.562 24.250 ( -0.206 -3.520 -0.751) 3.605 24.530 ( -0.777 -1.831 2.997) 3.597 24.758 ( 2.129 3.299 4.192) 5.743 24.792 ( 0.106 -2.054 -0.253) 2.073 24.894 ( 5.325 4.333 -1.802) 7.098 24.912 ( -0.931 2.802 3.166) 4.329 24.944 ( 1.728 -0.197 2.169) 2.780 25.037 ( -2.788 -0.936 1.602) 3.350 25.450 ( -7.250 0.338 -4.353) 8.463 ======================= Grid point 33 (23/115) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.402 ( -0.000 17.251 -0.000) 17.251 1.881 ( 0.000 -3.023 0.000) 3.023 2.138 ( 0.000 -12.332 0.000) 12.332 2.236 ( 0.000 -10.503 0.000) 10.503 2.256 ( 0.000 -8.529 0.000) 8.529 2.361 ( -0.000 2.537 -0.000) 2.537 2.637 ( -0.000 2.388 -0.000) 2.388 2.709 ( 0.000 -5.739 0.000) 5.739 2.866 ( 0.000 -3.391 0.000) 3.391 3.110 ( 0.000 -5.153 0.000) 5.153 3.120 ( -0.000 2.762 -0.000) 2.762 3.293 ( -0.000 1.077 -0.000) 1.077 3.305 ( 0.000 -0.013 0.000) 0.013 3.533 ( -0.000 0.339 -0.000) 0.339 3.628 ( -0.000 2.901 -0.000) 2.901 3.645 ( 0.000 -6.793 0.000) 6.793 3.885 ( -0.000 17.846 -0.000) 17.846 4.072 ( -0.000 2.794 -0.000) 2.794 4.265 ( -0.000 1.405 -0.000) 1.405 4.384 ( 0.000 -6.642 0.000) 6.642 4.556 ( -0.000 4.890 -0.000) 4.890 4.572 ( -0.000 17.194 -0.000) 17.194 4.738 ( -0.000 2.191 -0.000) 2.191 4.937 ( 0.000 -6.206 0.000) 6.206 5.127 ( -0.000 3.892 -0.000) 3.892 5.201 ( 0.000 -2.763 0.000) 2.763 5.250 ( -0.000 2.698 -0.000) 2.698 5.357 ( 0.000 -5.613 0.000) 5.613 5.429 ( -0.000 2.256 -0.000) 2.256 5.611 ( 0.000 -7.390 0.000) 7.390 5.669 ( -0.000 6.345 -0.000) 6.345 5.677 ( -0.000 1.820 -0.000) 1.820 5.755 ( 0.000 -0.132 0.000) 0.132 6.189 ( 0.000 -7.651 0.000) 7.651 6.252 ( 0.000 -3.802 0.000) 3.802 6.549 ( -0.000 3.921 -0.000) 3.921 6.569 ( 0.000 -2.803 0.000) 2.803 6.697 ( 0.000 -0.145 0.000) 0.145 7.203 ( 0.000 -4.104 0.000) 4.104 7.259 ( -0.000 0.145 -0.000) 0.145 7.403 ( -0.000 7.680 -0.000) 7.680 7.480 ( -0.000 3.067 -0.000) 3.067 7.926 ( 0.000 -0.926 0.000) 0.926 7.937 ( -0.000 3.158 -0.000) 3.158 8.195 ( 0.000 -2.189 0.000) 2.189 8.414 ( 0.000 -0.187 0.000) 0.187 8.462 ( -0.000 1.889 -0.000) 1.889 8.652 ( -0.000 4.036 -0.000) 4.036 8.671 ( 0.000 -6.615 0.000) 6.615 8.704 ( -0.000 0.929 -0.000) 0.929 8.984 ( 0.000 -1.119 0.000) 1.119 9.182 ( 0.000 -1.512 0.000) 1.512 9.357 ( 0.000 -1.057 0.000) 1.057 9.380 ( 0.000 -0.604 0.000) 0.604 9.447 ( 0.000 -3.888 0.000) 3.888 9.538 ( 0.000 -2.074 0.000) 2.074 9.749 ( 0.000 -4.396 0.000) 4.396 9.859 ( -0.000 5.091 -0.000) 5.091 10.335 ( -0.000 2.420 -0.000) 2.420 10.891 ( 0.000 -5.947 0.000) 5.947 10.988 ( -0.000 6.505 -0.000) 6.505 11.277 ( -0.000 2.676 -0.000) 2.676 11.372 ( 0.000 -7.083 0.000) 7.083 12.106 ( 0.000 -0.770 0.000) 0.770 12.226 ( -0.000 4.398 -0.000) 4.398 13.407 ( 0.000 -1.150 0.000) 1.150 13.643 ( 0.000 -0.286 0.000) 0.286 13.752 ( -0.000 0.202 -0.000) 0.202 14.769 ( -0.000 0.955 -0.000) 0.955 14.830 ( -0.000 0.986 -0.000) 0.986 14.957 ( -0.000 1.995 -0.000) 1.995 14.989 ( 0.000 -2.383 0.000) 2.383 20.917 ( -0.000 0.021 -0.000) 0.021 20.971 ( -0.000 0.855 -0.000) 0.855 21.546 ( -0.000 4.925 -0.000) 4.925 21.997 ( 0.000 -0.277 0.000) 0.277 22.007 ( -0.000 0.175 -0.000) 0.175 22.098 ( 0.000 -13.429 0.000) 13.429 23.263 ( 0.000 -1.329 0.000) 1.329 23.648 ( -0.000 1.171 -0.000) 1.171 23.881 ( -0.000 3.234 -0.000) 3.234 24.297 ( 0.000 -2.353 0.000) 2.353 24.557 ( 0.000 -0.965 0.000) 0.965 24.731 ( -0.000 2.749 -0.000) 2.749 24.803 ( -0.000 2.187 -0.000) 2.187 24.825 ( -0.000 5.066 -0.000) 5.066 24.883 ( -0.000 0.982 -0.000) 0.982 24.978 ( -0.000 0.983 -0.000) 0.983 24.987 ( -0.000 0.662 -0.000) 0.662 25.461 ( 0.000 -5.818 0.000) 5.818 ======================= Grid point 40 (24/115) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 12.308 -0.000 -7.788) 14.565 1.793 ( 1.476 -0.000 10.440) 10.544 1.879 ( -8.115 0.000 -10.841) 13.542 1.913 ( 1.338 -0.000 -16.524) 16.578 1.982 ( -4.529 0.000 3.124) 5.502 2.488 ( 4.619 -0.000 10.854) 11.796 2.488 ( 12.487 -0.000 5.222) 13.535 2.698 ( -2.306 0.000 -13.073) 13.274 2.893 ( -5.745 0.000 12.658) 13.901 2.939 ( -0.491 0.000 -0.150) 0.514 3.050 ( -2.359 0.000 -10.309) 10.576 3.148 ( -7.430 0.000 5.011) 8.962 3.493 ( -3.401 0.000 -0.233) 3.409 3.569 ( 7.234 -0.000 6.067) 9.441 3.658 ( -9.250 0.000 5.326) 10.674 3.927 ( 6.165 -0.000 4.704) 7.755 4.025 ( -2.981 0.000 6.396) 7.056 4.214 ( 2.111 -0.000 -3.906) 4.439 4.318 ( 1.394 -0.000 2.022) 2.456 4.366 ( 7.220 -0.000 0.809) 7.265 4.403 ( -5.124 0.000 -6.191) 8.037 4.557 ( -0.685 0.000 3.444) 3.512 4.802 ( 1.254 -0.000 -4.866) 5.025 4.938 ( 12.880 -0.000 -7.757) 15.035 5.137 ( -2.834 0.000 -5.347) 6.052 5.208 ( -1.507 0.000 8.359) 8.493 5.270 ( -1.092 0.000 -1.621) 1.954 5.299 ( -1.513 0.000 -10.998) 11.101 5.384 ( -2.110 0.000 0.896) 2.292 5.579 ( 1.334 -0.000 1.750) 2.201 5.773 ( -1.056 0.000 5.574) 5.673 5.801 ( -8.911 0.000 4.138) 9.825 6.022 ( -3.340 0.000 -7.047) 7.798 6.066 ( 3.936 -0.000 4.814) 6.218 6.248 ( -1.009 0.000 2.023) 2.260 6.260 ( 0.260 -0.000 -2.621) 2.634 6.721 ( -3.269 0.000 -0.145) 3.272 6.931 ( 2.923 -0.000 5.002) 5.794 6.971 ( -4.764 0.000 -2.479) 5.370 7.334 ( -6.496 0.000 -2.042) 6.809 7.514 ( 7.672 -0.000 -6.419) 10.003 7.665 ( 0.246 -0.000 0.036) 0.249 7.983 ( 5.297 -0.000 0.514) 5.322 8.058 ( 5.654 -0.000 1.342) 5.811 8.123 ( -7.099 0.000 4.784) 8.560 8.302 ( -5.617 0.000 -0.561) 5.645 8.320 ( 0.151 -0.000 -0.171) 0.228 8.636 ( 2.557 -0.000 1.759) 3.104 8.681 ( 0.701 -0.000 -0.649) 0.955 8.709 ( 0.337 -0.000 -0.962) 1.020 9.022 ( 3.159 -0.000 4.972) 5.891 9.134 ( 1.773 -0.000 -3.237) 3.690 9.148 ( -1.321 0.000 3.139) 3.406 9.393 ( 0.089 -0.000 -3.815) 3.816 9.423 ( 0.118 -0.000 -0.570) 0.582 9.462 ( -4.318 0.000 0.568) 4.355 9.563 ( 0.090 -0.000 0.639) 0.645 10.000 ( 1.016 -0.000 1.881) 2.138 10.392 ( 1.682 -0.000 0.718) 1.829 10.696 ( -2.548 0.000 -5.494) 6.056 11.114 ( 6.342 -0.000 -0.204) 6.345 11.268 ( -6.759 0.000 1.958) 7.036 11.403 ( -3.313 0.000 -0.313) 3.327 12.067 ( 2.294 -0.000 -2.609) 3.474 12.443 ( 0.637 -0.000 1.802) 1.911 13.246 ( 2.820 -0.000 0.731) 2.913 13.632 ( 0.254 -0.000 -0.392) 0.467 13.735 ( 0.701 -0.000 0.082) 0.706 14.796 ( 1.518 -0.000 -0.066) 1.519 14.820 ( 0.445 -0.000 0.454) 0.636 14.963 ( 1.851 -0.000 0.372) 1.888 14.999 ( -1.922 0.000 -1.651) 2.534 20.901 ( -0.387 0.000 2.111) 2.147 21.136 ( -0.648 0.000 -5.137) 5.178 21.575 ( 1.234 -0.000 16.829) 16.874 21.721 ( 1.570 -0.000 -23.227) 23.280 22.008 ( -0.087 0.000 -0.059) 0.105 22.008 ( -0.153 0.000 0.097) 0.181 23.252 ( -1.295 0.000 0.802) 1.523 23.696 ( 0.349 -0.000 0.583) 0.680 24.021 ( -0.051 0.000 0.639) 0.641 24.160 ( -0.380 0.000 -1.996) 2.031 24.485 ( -1.429 0.000 2.561) 2.932 24.740 ( 0.085 -0.000 -0.281) 0.293 24.848 ( 3.576 -0.000 -0.322) 3.590 24.894 ( -0.315 0.000 5.005) 5.014 24.950 ( 1.255 -0.000 -1.652) 2.075 25.005 ( -1.126 0.000 2.942) 3.150 25.022 ( 5.241 -0.000 6.997) 8.742 25.479 ( -11.411 0.000 -6.213) 12.993 ======================= Grid point 41 (25/115) ======================= q-point: (-0.44 -0.56 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( -0.000 0.555 -0.000) 0.555 1.843 ( -0.000 3.063 -0.000) 3.063 1.880 ( 0.000 -3.294 0.000) 3.294 1.907 ( 0.000 -7.520 0.000) 7.520 2.004 ( 0.000 -4.981 0.000) 4.981 2.452 ( -0.000 5.044 -0.000) 5.044 2.589 ( -0.000 2.447 -0.000) 2.447 2.652 ( 0.000 -4.169 0.000) 4.169 2.895 ( -0.000 4.868 -0.000) 4.868 2.999 ( 0.000 -7.131 0.000) 7.131 3.025 ( 0.000 -2.675 0.000) 2.675 3.137 ( 0.000 -3.630 0.000) 3.630 3.458 ( -0.000 2.788 -0.000) 2.788 3.597 ( -0.000 2.074 -0.000) 2.074 3.600 ( -0.000 1.752 -0.000) 1.752 3.830 ( -0.000 9.672 -0.000) 9.672 4.137 ( 0.000 -7.367 0.000) 7.367 4.167 ( -0.000 4.758 -0.000) 4.758 4.327 ( -0.000 6.014 -0.000) 6.014 4.346 ( -0.000 1.500 -0.000) 1.500 4.421 ( 0.000 -6.307 0.000) 6.307 4.630 ( 0.000 -7.169 0.000) 7.169 4.882 ( 0.000 -8.119 0.000) 8.119 4.967 ( -0.000 3.452 -0.000) 3.452 5.048 ( -0.000 6.584 -0.000) 6.584 5.217 ( -0.000 1.296 -0.000) 1.296 5.260 ( 0.000 -0.240 0.000) 0.240 5.260 ( 0.000 -0.605 0.000) 0.605 5.420 ( 0.000 -5.004 0.000) 5.004 5.544 ( -0.000 3.609 -0.000) 3.609 5.697 ( -0.000 6.263 -0.000) 6.263 5.848 ( 0.000 -2.555 0.000) 2.555 5.970 ( -0.000 5.745 -0.000) 5.745 6.019 ( 0.000 -0.606 0.000) 0.606 6.194 ( -0.000 4.691 -0.000) 4.691 6.378 ( 0.000 -9.081 0.000) 9.081 6.697 ( -0.000 1.070 -0.000) 1.070 6.859 ( -0.000 8.834 -0.000) 8.834 7.005 ( 0.000 -5.543 0.000) 5.543 7.307 ( -0.000 0.019 -0.000) 0.019 7.531 ( -0.000 0.938 -0.000) 0.938 7.647 ( -0.000 3.111 -0.000) 3.111 7.991 ( -0.000 7.413 -0.000) 7.413 8.013 ( -0.000 0.840 -0.000) 0.840 8.109 ( 0.000 -1.868 0.000) 1.868 8.292 ( 0.000 -4.017 0.000) 4.017 8.435 ( 0.000 -9.031 0.000) 9.031 8.636 ( -0.000 3.918 -0.000) 3.918 8.688 ( 0.000 -0.466 0.000) 0.466 8.695 ( 0.000 -0.263 0.000) 0.263 9.024 ( -0.000 2.721 -0.000) 2.721 9.141 ( 0.000 -0.819 0.000) 0.819 9.191 ( 0.000 -5.068 0.000) 5.068 9.359 ( -0.000 2.084 -0.000) 2.084 9.441 ( -0.000 0.071 -0.000) 0.071 9.441 ( 0.000 -2.270 0.000) 2.270 9.608 ( 0.000 -4.168 0.000) 4.168 9.989 ( -0.000 2.360 -0.000) 2.360 10.386 ( -0.000 1.481 -0.000) 1.481 10.714 ( 0.000 -4.364 0.000) 4.364 11.184 ( 0.000 -3.475 0.000) 3.475 11.188 ( -0.000 4.506 -0.000) 4.506 11.379 ( -0.000 1.407 -0.000) 1.407 12.078 ( 0.000 -0.622 0.000) 0.622 12.401 ( -0.000 5.234 -0.000) 5.234 13.296 ( 0.000 -3.912 0.000) 3.912 13.634 ( 0.000 -0.173 0.000) 0.173 13.742 ( 0.000 -0.403 0.000) 0.403 14.798 ( -0.000 0.633 -0.000) 0.633 14.828 ( 0.000 -0.562 0.000) 0.562 14.969 ( -0.000 0.305 -0.000) 0.305 14.986 ( -0.000 0.144 -0.000) 0.144 20.907 ( 0.000 -0.374 0.000) 0.374 21.078 ( -0.000 4.575 -0.000) 4.575 21.652 ( -0.000 1.564 -0.000) 1.564 21.715 ( 0.000 -8.942 0.000) 8.942 22.001 ( -0.000 0.416 -0.000) 0.416 22.011 ( 0.000 -0.066 0.000) 0.066 23.246 ( -0.000 0.041 -0.000) 0.041 23.690 ( -0.000 1.030 -0.000) 1.030 23.990 ( -0.000 3.151 -0.000) 3.151 24.189 ( 0.000 -3.479 0.000) 3.479 24.499 ( 0.000 -1.805 0.000) 1.805 24.755 ( 0.000 -1.808 0.000) 1.808 24.826 ( -0.000 3.036 -0.000) 3.036 24.936 ( 0.000 -2.675 0.000) 2.675 24.943 ( -0.000 1.165 -0.000) 1.165 24.979 ( -0.000 2.998 -0.000) 2.998 25.053 ( -0.000 2.009 -0.000) 2.009 25.400 ( -0.000 0.276 -0.000) 0.276 ======================= Grid point 83 (26/115) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 3.841 -0.000 38.502) 38.693 0.774 ( -7.759 0.000 39.055) 39.818 1.231 ( -7.617 0.000 -10.201) 12.731 1.250 ( 4.706 -0.000 62.414) 62.591 1.828 ( -2.295 0.000 1.019) 2.511 2.181 ( 9.887 -0.000 15.080) 18.032 2.572 ( -5.972 0.000 -25.131) 25.830 2.870 ( -3.096 0.000 -18.333) 18.592 2.913 ( 2.473 -0.000 14.325) 14.537 2.938 ( 5.879 -0.000 -18.186) 19.113 3.064 ( 0.349 -0.000 -2.383) 2.409 3.352 ( -4.271 0.000 -3.596) 5.583 3.667 ( 2.088 -0.000 10.401) 10.608 3.765 ( -0.904 0.000 0.217) 0.930 3.766 ( 3.272 -0.000 5.894) 6.741 4.132 ( 7.700 -0.000 -20.568) 21.963 4.146 ( 1.171 -0.000 0.680) 1.354 4.211 ( -10.701 0.000 -0.518) 10.713 4.248 ( -8.659 0.000 -2.992) 9.161 4.309 ( -4.722 0.000 -6.004) 7.639 4.634 ( -1.959 0.000 -0.666) 2.069 4.807 ( 4.494 -0.000 -3.781) 5.873 4.846 ( -4.568 0.000 1.478) 4.801 4.974 ( -3.593 0.000 -2.477) 4.364 5.033 ( 3.339 -0.000 2.707) 4.299 5.038 ( 5.975 -0.000 0.963) 6.052 5.198 ( 0.946 -0.000 0.454) 1.050 5.315 ( 0.185 -0.000 6.573) 6.575 5.413 ( 7.842 -0.000 -0.221) 7.845 5.452 ( -3.542 0.000 -1.500) 3.847 5.602 ( -9.281 0.000 2.486) 9.608 5.734 ( 9.043 -0.000 -6.019) 10.863 6.225 ( -8.214 0.000 -2.002) 8.454 6.323 ( 8.891 -0.000 4.917) 10.161 6.461 ( 11.708 -0.000 0.923) 11.745 6.587 ( -9.483 0.000 4.718) 10.592 7.037 ( 4.775 -0.000 -7.945) 9.269 7.136 ( -15.054 0.000 -10.418) 18.307 7.632 ( 12.905 -0.000 8.961) 15.710 7.702 ( -1.816 0.000 0.976) 2.062 7.801 ( 1.119 -0.000 2.712) 2.934 7.957 ( -3.237 0.000 -1.434) 3.541 7.971 ( 0.583 -0.000 0.697) 0.909 7.977 ( -3.332 0.000 2.776) 4.337 7.997 ( -12.205 0.000 10.714) 16.241 8.127 ( -3.932 0.000 -1.471) 4.198 8.246 ( 3.893 -0.000 -5.257) 6.541 8.577 ( -5.676 0.000 9.190) 10.802 8.750 ( -2.702 0.000 0.097) 2.704 8.799 ( 11.750 -0.000 4.136) 12.457 8.838 ( 33.437 -0.000 -7.396) 34.246 9.021 ( 16.087 -0.000 0.233) 16.089 9.036 ( 8.097 -0.000 -4.464) 9.247 9.117 ( 0.999 -0.000 -7.216) 7.285 9.385 ( -26.985 0.000 -5.276) 27.496 9.539 ( 0.153 -0.000 -5.063) 5.065 9.672 ( -10.095 0.000 4.816) 11.185 9.865 ( -3.736 0.000 0.613) 3.786 9.944 ( -9.173 0.000 7.936) 12.130 10.169 ( 4.686 -0.000 8.087) 9.346 11.148 ( 0.151 -0.000 -10.532) 10.534 11.626 ( -4.030 0.000 -15.245) 15.769 11.698 ( 1.841 -0.000 13.579) 13.703 12.044 ( 0.441 -0.000 4.100) 4.123 12.508 ( 0.664 -0.000 0.079) 0.669 12.509 ( -6.019 0.000 -0.000) 6.019 13.627 ( -0.281 0.000 0.407) 0.495 13.657 ( 0.320 -0.000 -0.302) 0.440 14.626 ( 1.328 -0.000 -0.105) 1.333 14.659 ( -0.321 0.000 -0.618) 0.697 14.672 ( 0.161 -0.000 0.629) 0.649 14.700 ( 0.323 -0.000 -0.228) 0.396 20.941 ( -9.717 0.000 1.093) 9.778 21.074 ( -0.336 0.000 -2.141) 2.167 21.233 ( 3.877 -0.000 1.479) 4.150 21.312 ( -3.515 0.000 -0.236) 3.523 22.018 ( -0.143 0.000 -0.003) 0.143 22.020 ( 0.113 -0.000 -0.036) 0.119 23.421 ( -0.783 0.000 2.526) 2.644 23.618 ( 1.116 -0.000 -2.128) 2.403 24.182 ( 3.475 -0.000 1.466) 3.772 24.277 ( 2.202 -0.000 -0.918) 2.386 24.330 ( -3.391 0.000 1.849) 3.862 24.533 ( 3.838 -0.000 -2.883) 4.801 24.716 ( 0.444 -0.000 0.740) 0.863 24.730 ( 1.314 -0.000 0.937) 1.614 24.793 ( -0.237 0.000 -0.471) 0.527 24.834 ( -1.608 0.000 -0.766) 1.781 26.304 ( 4.408 -0.000 0.839) 4.487 26.380 ( -0.134 0.000 -0.937) 0.947 ======================= Grid point 84 (27/115) ======================= q-point: ( 0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.836 ( 0.278 -11.030 21.240) 23.935 0.971 ( 13.138 -1.498 31.478) 34.142 1.372 ( -5.566 -20.326 -2.790) 21.258 1.797 ( 3.843 -11.395 15.375) 19.520 1.938 ( 14.641 -16.885 31.087) 38.287 2.345 ( 7.371 -1.460 9.244) 11.913 2.405 ( -1.072 0.685 -17.532) 17.578 2.712 ( -3.625 7.564 -2.512) 8.755 2.869 ( 0.969 -0.747 -16.595) 16.640 2.943 ( -4.534 1.970 -5.985) 7.762 3.227 ( 8.712 -2.140 -6.344) 10.988 3.307 ( -5.173 -2.974 -1.820) 6.238 3.596 ( -5.962 5.684 -0.980) 8.295 3.761 ( -0.733 1.331 1.632) 2.230 3.876 ( 4.504 -0.339 -3.608) 5.781 3.907 ( -0.892 8.771 -2.850) 9.266 4.059 ( -6.297 5.640 -5.360) 10.009 4.178 ( 0.929 1.585 -1.521) 2.385 4.224 ( -1.767 -3.810 1.919) 4.618 4.368 ( 0.669 -8.583 0.445) 8.621 4.586 ( -8.786 7.688 -7.706) 13.989 4.677 ( 6.269 9.472 1.497) 11.457 4.889 ( 2.310 0.878 6.919) 7.347 4.947 ( -3.482 -6.336 -1.760) 7.441 5.074 ( 3.654 -0.809 1.622) 4.079 5.131 ( 5.223 -2.930 0.393) 6.002 5.225 ( -8.685 5.243 -0.302) 10.149 5.313 ( 4.273 3.700 2.863) 6.336 5.363 ( 5.235 -3.371 0.361) 6.237 5.497 ( -2.441 -5.955 -6.995) 9.505 5.590 ( -6.430 -4.624 0.125) 7.921 5.761 ( 7.637 3.939 -4.263) 9.592 6.068 ( -10.946 11.245 -2.257) 15.855 6.341 ( 4.059 2.821 -1.652) 5.212 6.388 ( 5.538 5.108 8.156) 11.104 6.816 ( -0.041 -11.210 7.988) 13.765 6.905 ( -8.939 12.546 3.231) 15.740 6.984 ( -11.743 4.620 -0.212) 12.621 7.362 ( 7.729 12.209 1.887) 14.572 7.649 ( -10.835 4.730 3.959) 12.468 7.733 ( -9.737 9.646 -3.869) 14.242 7.747 ( 8.789 8.871 4.728) 13.353 7.818 ( -3.886 3.328 4.540) 6.840 7.948 ( -3.199 1.708 3.967) 5.375 8.002 ( 4.917 -1.944 -2.816) 5.991 8.176 ( -6.712 -5.925 -1.169) 9.029 8.292 ( 0.380 -3.718 0.407) 3.759 8.599 ( -4.342 -1.785 9.451) 10.552 8.715 ( 0.716 1.457 0.700) 1.767 8.839 ( -1.254 -0.947 1.088) 1.911 8.922 ( 4.754 -2.619 0.435) 5.445 8.962 ( 1.537 1.718 -2.486) 3.390 9.066 ( 4.185 -8.140 0.416) 9.162 9.255 ( -3.449 -6.172 -0.031) 7.070 9.469 ( 7.016 -0.602 -4.254) 8.227 9.662 ( -3.918 -10.445 0.090) 11.156 9.666 ( 13.526 8.345 -4.283) 16.460 9.824 ( -6.081 1.863 2.529) 6.844 9.943 ( 2.012 3.493 9.450) 10.274 10.742 ( 16.257 -33.650 -32.892) 49.784 11.091 ( -2.197 2.519 -6.101) 6.957 11.500 ( -1.799 3.198 -16.111) 16.523 11.678 ( -3.616 6.404 10.766) 13.038 11.940 ( -1.706 9.229 2.592) 9.737 12.485 ( -6.625 -3.171 9.267) 11.824 12.709 ( 7.536 -14.247 0.703) 16.132 13.626 ( -0.355 -0.181 0.251) 0.471 13.660 ( 0.619 -0.233 -0.392) 0.769 14.650 ( 2.264 -0.191 0.046) 2.273 14.672 ( 1.207 -1.357 -0.665) 1.935 14.711 ( 2.729 -2.374 0.836) 3.713 14.924 ( 6.438 -13.492 -13.908) 20.419 20.933 ( 2.825 2.815 0.170) 3.992 21.070 ( -0.133 -0.204 -2.241) 2.254 21.281 ( 4.704 -0.814 3.150) 5.720 21.534 ( 0.660 -22.967 -23.360) 32.765 22.015 ( -0.125 0.183 0.001) 0.222 22.021 ( 0.054 -0.008 -0.013) 0.056 23.416 ( -1.680 0.379 2.868) 3.346 23.620 ( 0.812 0.091 -1.788) 1.965 24.193 ( -2.798 0.559 2.131) 3.561 24.281 ( -0.332 -1.839 -3.463) 3.935 24.333 ( 1.683 -0.620 0.051) 1.794 24.554 ( 4.883 1.823 -1.846) 5.529 24.742 ( -0.719 -1.808 1.033) 2.203 24.756 ( 2.646 -1.242 1.639) 3.351 24.818 ( 1.424 -2.191 -0.525) 2.665 24.828 ( 0.178 -0.794 -0.443) 0.926 25.850 ( -16.703 32.025 29.949) 46.921 26.296 ( -4.357 6.905 -2.210) 8.459 ======================= Grid point 85 (28/115) ======================= q-point: ( 0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 12.804 -12.757 12.928) 22.222 1.291 ( 13.584 -18.566 6.707) 23.962 1.651 ( 0.137 -15.794 -0.512) 15.803 1.873 ( -1.692 -4.247 -13.507) 14.260 2.242 ( -6.508 -0.624 -11.200) 12.969 2.433 ( 11.160 -7.563 21.931) 25.743 2.534 ( 1.567 4.424 5.147) 6.966 2.761 ( 0.210 4.098 -8.047) 9.033 2.818 ( 12.032 -10.775 17.461) 23.786 2.868 ( -2.439 -5.415 -15.445) 16.547 3.071 ( -5.702 6.713 -5.774) 10.531 3.348 ( -2.484 1.073 5.161) 5.827 3.544 ( 7.148 2.116 0.215) 7.458 3.600 ( -8.129 8.436 -1.549) 11.817 3.718 ( -8.452 5.372 -1.623) 10.146 3.919 ( -1.972 3.818 -2.176) 4.816 4.055 ( 10.297 -3.786 -0.546) 10.984 4.140 ( -1.951 1.480 0.094) 2.450 4.275 ( -0.800 1.504 -3.970) 4.320 4.295 ( -9.610 5.344 3.191) 11.450 4.529 ( 3.436 -4.247 0.418) 5.479 4.666 ( 5.961 0.077 0.775) 6.012 4.836 ( -0.779 6.509 -2.096) 6.882 4.981 ( -3.926 9.150 2.131) 10.182 5.026 ( -4.576 -6.063 -0.352) 7.605 5.180 ( 4.499 -2.237 2.857) 5.780 5.228 ( 4.392 -1.058 1.876) 4.892 5.348 ( 6.548 -0.079 2.619) 7.053 5.400 ( -4.740 1.537 -5.766) 7.621 5.528 ( -5.082 -4.651 -4.435) 8.193 5.651 ( -4.831 -5.290 4.286) 8.348 5.680 ( 2.500 8.226 2.326) 8.907 5.837 ( -0.570 2.249 -11.761) 11.988 6.325 ( 0.823 8.960 8.606) 12.450 6.374 ( 2.250 0.314 -5.827) 6.255 6.621 ( -3.195 11.364 9.115) 14.914 6.795 ( -7.537 4.477 -7.536) 11.560 6.936 ( -0.398 -3.094 2.005) 3.708 7.414 ( -8.261 3.695 1.478) 9.170 7.490 ( -8.761 5.643 -7.458) 12.815 7.531 ( 0.514 2.534 11.661) 11.944 7.664 ( 6.344 2.516 -1.256) 6.939 7.807 ( 2.396 4.500 3.889) 6.412 7.921 ( -1.209 -3.790 2.188) 4.541 8.055 ( 1.954 -0.563 -2.812) 3.470 8.199 ( -4.170 -3.887 -0.790) 5.755 8.337 ( -1.258 -3.810 0.215) 4.019 8.627 ( 0.360 -0.749 5.249) 5.314 8.681 ( -2.635 2.395 -0.528) 3.600 8.836 ( -3.984 -1.523 -2.651) 5.022 8.942 ( -1.330 -0.871 -0.897) 1.825 9.028 ( 8.451 -2.077 -0.138) 8.703 9.231 ( 2.030 -4.662 3.775) 6.333 9.357 ( 3.207 -4.488 3.972) 6.797 9.512 ( 2.078 -2.100 -4.568) 5.440 9.608 ( 3.024 3.901 -2.223) 5.413 9.713 ( -6.354 3.486 0.866) 7.299 9.886 ( 9.726 -8.224 2.056) 12.901 9.944 ( -2.887 -2.072 11.325) 11.869 10.975 ( -3.753 5.853 -3.140) 7.629 11.091 ( 5.672 -13.813 -30.407) 33.876 11.399 ( 0.322 3.909 -12.344) 12.952 11.564 ( -1.254 5.014 5.124) 7.278 11.786 ( 0.271 9.642 0.470) 9.657 12.532 ( -6.669 -4.217 15.533) 17.422 13.008 ( 7.220 -12.574 0.323) 14.503 13.629 ( -0.263 -0.434 0.060) 0.510 13.675 ( 1.007 -0.876 -0.512) 1.430 14.681 ( 1.631 -0.982 0.655) 2.014 14.718 ( 2.398 -2.382 -0.431) 3.407 14.795 ( 3.069 -3.706 1.600) 5.071 15.041 ( 1.293 -3.314 -11.315) 11.861 20.889 ( -1.173 3.066 1.050) 3.446 21.061 ( 0.129 0.492 -0.097) 0.518 21.372 ( 5.020 -3.113 2.509) 6.417 21.748 ( 2.578 -13.469 -29.624) 32.644 22.011 ( -0.106 0.172 0.070) 0.214 22.022 ( 0.179 -0.192 -0.318) 0.413 23.399 ( -2.358 0.717 3.732) 4.473 23.618 ( 0.117 0.041 -0.716) 0.727 24.141 ( -5.102 0.947 -1.347) 5.361 24.307 ( -1.613 -3.447 -2.111) 4.352 24.367 ( 4.768 0.505 -0.067) 4.795 24.553 ( 3.691 2.565 -0.617) 4.537 24.752 ( -1.690 -0.976 0.299) 1.975 24.827 ( 2.387 -2.699 1.958) 4.101 24.845 ( 1.388 -0.540 2.053) 2.537 24.892 ( 2.883 -3.736 -0.621) 4.760 25.413 ( -11.204 19.667 31.613) 38.881 26.075 ( -7.177 11.493 -5.208) 14.517 ======================= Grid point 86 (29/115) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 1.008 -11.280 -1.224) 11.391 1.773 ( 9.771 -17.106 0.541) 19.708 1.799 ( 7.252 -5.348 -4.706) 10.166 1.991 ( 7.799 -11.439 -2.921) 14.150 2.127 ( -10.726 -0.499 -11.061) 15.416 2.487 ( 11.490 9.486 -10.609) 18.291 2.604 ( 4.959 7.670 10.266) 13.741 2.690 ( 4.458 1.175 -6.825) 8.236 2.803 ( -13.502 -11.305 13.366) 22.108 2.945 ( -0.676 -5.292 -12.516) 13.606 3.233 ( -0.359 0.448 8.528) 8.547 3.286 ( -0.510 3.748 7.713) 8.591 3.489 ( -7.440 1.936 0.628) 7.714 3.501 ( -2.426 0.684 -2.389) 3.473 3.582 ( 9.900 5.229 0.448) 11.205 3.831 ( -3.070 4.978 -1.229) 5.976 4.068 ( -2.278 4.306 2.024) 5.275 4.135 ( -3.508 0.593 4.315) 5.592 4.199 ( 8.037 -2.018 -0.033) 8.287 4.333 ( -3.121 -5.366 0.765) 6.254 4.519 ( 2.339 4.025 1.388) 4.858 4.680 ( -0.051 10.008 -2.987) 10.445 4.818 ( -0.486 -2.780 -3.392) 4.413 4.859 ( 4.802 -1.228 1.687) 5.236 5.032 ( -9.002 -2.196 -5.231) 10.641 5.213 ( -9.465 5.029 7.909) 13.321 5.255 ( 3.922 -0.947 0.144) 4.037 5.336 ( 0.769 -2.002 -1.608) 2.681 5.381 ( -3.951 4.967 6.247) 8.905 5.453 ( 9.314 2.272 4.291) 10.503 5.626 ( -4.669 -4.569 -5.532) 8.560 5.808 ( -0.484 -3.108 -9.366) 9.880 5.847 ( 8.119 -7.745 1.858) 11.374 6.133 ( -2.773 13.904 2.844) 14.460 6.291 ( -3.332 5.433 -2.680) 6.914 6.613 ( 3.595 -2.431 4.730) 6.419 6.666 ( 2.134 3.114 -13.125) 13.657 6.932 ( -3.505 1.483 -5.526) 6.710 7.262 ( -7.655 4.671 2.245) 9.244 7.363 ( -3.629 0.548 2.890) 4.671 7.432 ( -6.336 6.225 11.915) 14.862 7.632 ( -6.074 6.585 3.990) 9.807 7.839 ( 6.193 -1.930 1.888) 6.756 8.051 ( 1.230 -1.328 -0.135) 1.816 8.090 ( 7.229 -7.285 -2.491) 10.561 8.214 ( -3.332 -2.169 -0.005) 3.976 8.394 ( -0.057 -2.587 0.445) 2.625 8.575 ( -2.747 3.336 -0.670) 4.373 8.677 ( -1.063 -0.948 2.039) 2.487 8.803 ( -1.567 -0.523 -2.016) 2.607 8.991 ( -0.576 -6.116 -0.014) 6.143 9.121 ( 6.312 -1.178 -2.630) 6.938 9.287 ( 3.841 1.781 2.771) 5.060 9.415 ( -0.700 0.921 2.245) 2.526 9.524 ( 1.567 1.944 -0.420) 2.532 9.598 ( -4.062 1.287 -0.402) 4.280 9.627 ( -0.899 -3.581 -5.565) 6.679 9.969 ( 5.650 0.568 6.798) 8.858 10.163 ( 1.346 -11.380 7.291) 13.582 10.835 ( -1.372 5.824 -2.634) 6.538 11.155 ( -3.474 -2.548 -16.078) 16.645 11.277 ( -2.524 2.017 -5.453) 6.339 11.562 ( 6.041 2.028 -1.362) 6.516 11.649 ( 3.035 5.992 -8.458) 10.801 12.589 ( -7.281 -3.012 18.850) 20.430 13.226 ( 4.824 -7.329 -1.127) 8.847 13.636 ( -0.140 -0.705 0.092) 0.724 13.700 ( 1.065 -1.044 -0.536) 1.585 14.710 ( 0.954 -0.615 1.018) 1.525 14.786 ( 2.589 -2.975 -0.325) 3.957 14.883 ( 2.374 -3.000 1.857) 4.252 15.017 ( -0.978 1.443 -6.698) 6.921 20.841 ( -1.341 2.025 3.403) 4.181 21.060 ( -0.331 -0.053 1.955) 1.984 21.462 ( 2.477 -2.569 -3.171) 4.774 21.855 ( 4.751 -8.143 -19.841) 21.967 22.009 ( -0.037 0.105 0.115) 0.160 22.033 ( 1.058 -1.355 -2.488) 3.024 23.380 ( -2.428 0.626 4.995) 5.589 23.617 ( -0.676 -0.291 0.463) 0.869 24.067 ( -5.274 1.084 -3.501) 6.422 24.340 ( -1.710 -3.321 -1.971) 4.223 24.396 ( 5.519 2.172 0.711) 5.974 24.539 ( 2.650 2.831 0.978) 3.999 24.747 ( -1.972 -0.587 -0.524) 2.123 24.867 ( 1.608 0.714 3.478) 3.898 24.893 ( 0.241 -1.809 4.874) 5.205 24.969 ( 1.803 -2.133 -0.746) 2.891 25.209 ( -4.684 7.637 19.640) 21.587 25.788 ( -7.226 11.419 -7.880) 15.643 ======================= Grid point 87 (30/115) ======================= q-point: ( 0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( -6.377 -11.739 -11.176) 17.417 1.804 ( -7.712 -1.723 -12.139) 14.484 1.993 ( 3.456 -1.355 11.421) 12.009 2.139 ( 2.638 -6.927 5.662) 9.327 2.282 ( 11.313 -4.448 -7.861) 14.476 2.400 ( 15.775 6.964 -9.883) 19.876 2.478 ( 1.471 4.570 3.705) 6.064 2.794 ( 8.709 0.682 5.362) 10.250 2.879 ( -5.719 -2.224 0.623) 6.168 2.961 ( -8.804 -3.635 -1.855) 9.703 3.209 ( -2.260 -6.542 0.460) 6.937 3.245 ( -1.874 4.032 -0.885) 4.533 3.349 ( 0.795 -0.231 -3.717) 3.808 3.485 ( -2.736 3.162 -7.479) 8.569 3.627 ( 7.202 4.219 5.295) 9.885 3.716 ( -6.128 2.183 -2.322) 6.907 3.988 ( 0.625 4.272 6.246) 7.593 4.167 ( -0.947 -0.549 1.291) 1.693 4.275 ( 2.913 0.743 -0.022) 3.006 4.369 ( -6.955 -4.166 -0.156) 8.109 4.517 ( 4.689 7.645 0.606) 8.989 4.530 ( 1.750 -0.840 1.175) 2.269 4.797 ( -2.043 -2.763 -4.722) 5.840 4.940 ( -4.707 -0.827 0.853) 4.855 4.980 ( -2.743 2.125 -3.909) 5.227 4.997 ( -10.526 4.915 10.901) 15.931 5.264 ( 2.025 1.249 -1.970) 3.089 5.355 ( 2.421 2.528 4.904) 6.025 5.456 ( 2.188 -6.020 4.644) 7.911 5.517 ( 3.761 -1.189 -0.108) 3.945 5.653 ( -3.437 -6.810 -4.106) 8.663 5.841 ( -1.496 -3.221 -3.802) 5.203 5.903 ( 5.609 12.464 3.329) 14.068 6.013 ( 6.016 1.792 4.612) 7.790 6.234 ( -1.443 -7.226 -9.147) 11.746 6.605 ( 5.896 4.106 -8.190) 10.895 6.703 ( 0.387 -2.601 0.269) 2.644 6.828 ( -5.777 0.020 -7.135) 9.181 7.170 ( -1.604 2.630 -0.203) 3.087 7.316 ( 2.346 3.880 3.566) 5.769 7.373 ( -3.209 5.281 10.449) 12.139 7.508 ( -11.425 -1.317 10.133) 15.328 7.911 ( -0.106 -1.818 3.650) 4.079 8.089 ( 1.457 -3.200 -0.979) 3.650 8.190 ( -0.463 1.896 0.274) 1.971 8.242 ( 6.545 -1.907 -0.561) 6.840 8.395 ( -1.143 0.469 -1.575) 2.002 8.550 ( -2.101 -1.626 1.571) 3.086 8.660 ( -0.996 0.276 -1.052) 1.475 8.845 ( 0.387 -3.393 2.381) 4.163 9.086 ( 1.136 -4.227 -0.846) 4.459 9.164 ( 3.240 0.004 -4.007) 5.153 9.286 ( 4.492 2.880 -0.581) 5.367 9.365 ( -3.845 2.297 0.856) 4.560 9.463 ( -0.787 3.746 -0.119) 3.830 9.577 ( -4.499 -1.623 3.461) 5.903 9.657 ( 1.475 -1.638 -9.996) 10.236 10.037 ( 4.388 0.822 5.390) 6.999 10.293 ( -3.212 -2.888 3.985) 5.877 10.792 ( 3.123 -0.464 2.546) 4.055 11.039 ( -3.319 4.086 -6.880) 8.663 11.280 ( -2.187 -5.112 -6.057) 8.222 11.514 ( 2.403 5.728 2.645) 6.751 11.647 ( 8.846 -1.518 -19.102) 21.106 12.620 ( -8.344 -1.215 20.873) 22.512 13.324 ( 2.263 -1.580 -2.717) 3.873 13.647 ( -0.231 -0.661 0.382) 0.797 13.718 ( 0.636 -0.354 -0.620) 0.956 14.722 ( -0.024 0.111 1.038) 1.044 14.844 ( 0.701 -1.863 -1.743) 2.646 14.945 ( 1.145 1.129 1.808) 2.420 14.963 ( 0.304 -1.385 -2.699) 3.049 20.831 ( 0.387 0.552 5.951) 5.989 21.068 ( -1.379 -0.700 3.161) 3.519 21.455 ( -1.148 0.952 -9.749) 9.863 21.962 ( 3.097 -3.699 -3.946) 6.232 22.007 ( -0.008 0.070 0.083) 0.109 22.102 ( 6.557 -7.378 -9.645) 13.800 23.374 ( -1.932 0.082 6.657) 6.932 23.618 ( -1.272 -0.542 1.202) 1.832 23.986 ( -4.989 1.307 -3.936) 6.487 24.360 ( -2.266 -2.044 -2.398) 3.881 24.404 ( 6.644 4.505 2.321) 8.356 24.525 ( 2.001 1.952 2.171) 3.540 24.729 ( -2.692 -0.080 -0.539) 2.747 24.862 ( 0.072 3.383 7.118) 7.882 24.919 ( -2.199 -0.532 3.872) 4.485 24.976 ( 0.167 0.572 -0.954) 1.125 25.180 ( -1.366 1.927 4.893) 5.433 25.584 ( -1.688 2.568 -6.370) 7.073 ======================= Grid point 88 (31/115) ======================= q-point: (-0.44 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.548 ( -21.175 -6.787 -25.265) 33.657 1.727 ( -2.888 8.963 3.640) 10.096 2.083 ( 4.908 14.790 -13.515) 20.627 2.183 ( 7.360 -3.399 11.550) 14.111 2.310 ( 10.366 0.021 10.275) 14.595 2.503 ( 3.903 1.621 3.567) 5.531 2.547 ( 3.888 -6.865 5.206) 9.452 2.718 ( -5.250 10.006 -15.146) 18.897 2.908 ( -1.992 0.643 3.498) 4.076 2.934 ( 2.493 -4.153 9.334) 10.516 3.204 ( -0.300 -2.033 -2.150) 2.975 3.321 ( -7.460 -0.399 -8.392) 11.235 3.383 ( 4.223 -2.696 -4.497) 6.732 3.429 ( 4.232 -6.922 -8.178) 11.520 3.565 ( 1.893 7.027 5.048) 8.857 3.707 ( 1.464 -3.917 -3.514) 5.462 3.973 ( 2.837 3.485 10.942) 11.829 4.123 ( -7.110 -0.914 0.554) 7.190 4.253 ( -2.419 -2.528 -5.300) 6.351 4.380 ( -6.314 -5.148 0.329) 8.154 4.440 ( 3.221 4.659 -5.012) 7.563 4.637 ( 2.056 -4.629 3.557) 6.189 4.721 ( -10.946 4.984 4.031) 12.685 4.813 ( -1.903 5.881 3.835) 7.274 4.924 ( -1.156 -2.704 -3.657) 4.692 5.041 ( -0.790 -2.762 1.930) 3.461 5.284 ( 2.753 -0.683 1.499) 3.208 5.331 ( -0.931 2.403 4.470) 5.160 5.457 ( -2.958 0.738 -5.871) 6.615 5.572 ( -2.121 -0.984 1.925) 3.029 5.717 ( 6.635 5.629 3.716) 9.461 5.803 ( 0.899 -0.857 -0.723) 1.437 5.938 ( 3.342 -5.223 -0.597) 6.229 6.059 ( 6.031 -0.616 8.208) 10.204 6.348 ( 5.334 -4.909 -12.160) 14.157 6.607 ( 4.868 -2.915 -6.333) 8.504 6.704 ( -2.311 -1.029 -1.278) 2.834 6.822 ( -3.305 -6.097 -4.851) 8.464 7.136 ( 1.501 1.538 -1.199) 2.461 7.240 ( -1.789 8.584 2.322) 9.071 7.360 ( 4.983 -1.565 7.382) 9.043 7.494 ( -9.843 -2.523 12.715) 16.276 7.926 ( -3.191 -0.640 3.095) 4.491 8.108 ( -1.783 2.436 0.874) 3.143 8.198 ( 3.051 -3.283 -1.911) 4.872 8.302 ( 6.930 2.273 1.121) 7.379 8.393 ( 0.693 -1.648 -1.158) 2.130 8.546 ( -5.573 -1.250 2.839) 6.378 8.651 ( -0.598 0.641 -0.019) 0.876 8.901 ( 1.999 -1.085 3.371) 4.067 9.100 ( -0.607 2.024 -7.239) 7.541 9.171 ( 2.069 0.829 2.647) 3.461 9.253 ( 1.209 4.969 -2.794) 5.827 9.312 ( -2.968 0.313 -0.143) 2.988 9.434 ( -0.779 -1.556 0.657) 1.860 9.572 ( -1.830 -0.192 2.942) 3.470 9.632 ( 0.262 0.216 -11.704) 11.709 10.039 ( -0.020 3.463 6.329) 7.215 10.255 ( -4.387 3.677 2.683) 6.321 10.900 ( 2.542 -5.292 7.119) 9.227 10.962 ( 2.831 0.475 -9.727) 10.141 11.338 ( -1.212 -6.253 -3.872) 7.454 11.497 ( 4.360 0.537 -1.332) 4.591 11.673 ( 7.409 -0.178 -18.144) 19.599 12.620 ( -9.317 0.471 22.224) 24.103 13.304 ( -0.091 3.857 -3.522) 5.224 13.652 ( -0.480 -0.129 0.544) 0.737 13.715 ( -0.024 0.765 -0.735) 1.062 14.716 ( -0.682 0.446 0.903) 1.216 14.833 ( -1.717 0.966 -2.723) 3.360 14.899 ( -1.290 2.649 0.699) 3.028 15.050 ( 3.620 -4.691 0.038) 5.925 20.870 ( 2.321 -0.748 7.441) 7.830 21.077 ( -2.599 -1.336 3.281) 4.394 21.365 ( -2.632 3.006 -9.971) 10.742 21.998 ( 0.608 -0.659 -0.261) 0.934 22.008 ( 0.054 -0.136 0.066) 0.161 22.302 ( 9.944 -10.979 -15.170) 21.203 23.391 ( -1.128 -0.681 8.062) 8.169 23.620 ( -1.247 -0.705 1.314) 1.944 23.909 ( -4.225 1.578 -0.683) 4.561 24.337 ( -0.577 2.178 -2.090) 3.073 24.401 ( 5.011 3.527 2.485) 6.613 24.535 ( 2.257 0.436 3.097) 3.857 24.696 ( -3.777 0.197 -0.036) 3.782 24.811 ( -1.637 4.300 4.525) 6.454 24.905 ( -1.588 0.682 0.098) 1.731 24.965 ( -0.556 0.764 0.128) 0.954 25.097 ( -3.914 4.307 0.188) 5.823 25.658 ( 5.667 -8.809 -2.582) 10.788 ======================= Grid point 89 (32/115) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -12.940 2.693 -5.240) 14.218 1.533 ( -6.324 5.257 -0.868) 8.269 1.739 ( -1.059 21.873 -11.684) 24.821 2.255 ( 0.177 7.572 -4.828) 8.982 2.306 ( -5.684 15.950 -15.631) 23.044 2.373 ( 0.653 10.088 15.687) 18.663 2.562 ( 8.618 -6.729 -7.157) 13.068 2.798 ( -6.347 7.004 1.737) 9.611 2.819 ( 6.160 -10.045 15.288) 19.302 3.063 ( -3.520 -4.187 7.418) 9.217 3.146 ( -3.279 4.879 -7.786) 9.756 3.288 ( 1.683 -3.013 0.551) 3.495 3.464 ( -1.955 1.533 13.530) 13.756 3.505 ( 11.662 -1.993 -4.959) 12.828 3.608 ( 2.429 -8.215 -7.814) 11.595 3.786 ( 4.317 -4.104 -3.406) 6.861 4.058 ( 7.052 -4.216 1.143) 8.295 4.144 ( -4.441 -8.141 4.925) 10.500 4.270 ( -7.828 -6.558 -3.908) 10.934 4.365 ( -3.631 1.727 -0.574) 4.062 4.434 ( -5.507 -8.548 -1.782) 10.323 4.598 ( -5.665 5.979 7.867) 11.390 4.721 ( 3.353 1.714 3.967) 5.470 4.732 ( 3.704 -4.597 -10.152) 11.744 4.983 ( -2.106 -3.836 2.842) 5.218 5.018 ( -1.433 2.249 -1.124) 2.893 5.224 ( -5.263 2.784 1.176) 6.069 5.385 ( -1.749 0.059 0.201) 1.762 5.446 ( 7.510 -0.752 -0.699) 7.580 5.547 ( -2.965 -1.314 -5.694) 6.553 5.656 ( 8.085 8.277 2.871) 11.921 5.820 ( -1.045 1.357 1.123) 2.048 6.043 ( 1.354 -3.800 2.852) 4.940 6.200 ( 2.469 -6.505 10.568) 12.653 6.355 ( 6.204 4.348 -10.422) 12.885 6.712 ( -2.501 -8.398 -10.944) 14.020 6.755 ( 3.209 -3.308 5.363) 7.071 6.896 ( 0.436 -6.497 -7.725) 10.103 7.051 ( 0.617 8.456 2.925) 8.969 7.195 ( 1.379 -4.297 -2.861) 5.343 7.448 ( -2.283 -1.904 12.071) 12.432 7.553 ( 5.472 -5.836 2.464) 8.371 7.900 ( -5.068 -0.029 3.188) 5.988 8.041 ( -0.985 3.896 -1.596) 4.324 8.242 ( -1.114 0.373 0.124) 1.182 8.315 ( 5.660 3.987 1.941) 7.190 8.434 ( 1.208 -1.471 1.634) 2.508 8.524 ( -4.540 -1.057 2.270) 5.185 8.631 ( 0.717 1.113 0.436) 1.394 8.940 ( 2.321 1.178 -1.077) 2.817 9.013 ( -0.346 2.721 -4.295) 5.096 9.099 ( -2.554 8.491 2.670) 9.260 9.209 ( -1.148 2.016 2.545) 3.443 9.263 ( -1.941 1.830 -1.937) 3.297 9.475 ( -1.355 -3.787 0.045) 4.022 9.539 ( 0.120 2.061 -7.310) 7.596 9.641 ( 1.608 -4.022 -2.593) 5.048 10.002 ( -3.995 1.837 10.348) 11.243 10.127 ( -4.253 7.826 3.466) 9.558 10.963 ( 7.347 -0.776 -7.002) 10.179 11.067 ( 1.578 -8.153 -0.742) 8.338 11.436 ( 1.212 -7.334 -3.344) 8.151 11.545 ( 4.574 -2.636 -13.829) 14.803 11.676 ( 5.921 0.318 -7.336) 9.433 12.592 ( -9.613 1.777 22.876) 24.877 13.175 ( -2.404 9.063 -3.260) 9.927 13.647 ( -0.578 0.359 0.504) 0.847 13.693 ( -0.317 1.285 -0.855) 1.575 14.703 ( -1.036 0.639 0.778) 1.445 14.783 ( -2.217 1.830 -1.059) 3.064 14.836 ( -2.692 2.952 0.080) 3.995 15.159 ( 3.627 -4.534 -2.476) 6.312 20.943 ( 2.796 -1.617 7.571) 8.231 21.088 ( -2.963 -2.222 2.290) 4.355 21.256 ( -3.023 3.070 -7.640) 8.771 22.007 ( 0.127 -0.239 0.042) 0.273 22.013 ( 0.247 -0.249 -0.083) 0.361 22.477 ( 7.776 -8.219 -28.768) 30.913 23.421 ( -1.001 -0.712 5.855) 5.983 23.628 ( -0.015 -0.782 -0.784) 1.108 23.874 ( -1.519 0.655 12.701) 12.808 24.276 ( 1.703 4.724 -2.600) 5.655 24.399 ( 2.548 2.221 2.167) 4.015 24.569 ( 1.297 -0.673 2.242) 2.676 24.664 ( -3.252 -0.546 3.090) 4.519 24.746 ( -0.932 3.152 3.908) 5.106 24.871 ( -1.963 1.425 -0.222) 2.436 24.936 ( -2.722 1.016 1.080) 3.099 25.014 ( -1.568 3.134 1.651) 3.874 25.885 ( 7.291 -11.641 -2.280) 13.924 ======================= Grid point 90 (33/115) ======================= q-point: (-0.22 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.104 ( -8.992 19.119 15.554) 26.236 1.223 ( -11.330 27.930 -7.633) 31.092 1.570 ( -4.781 -6.397 -4.379) 9.108 1.772 ( -3.897 18.647 -9.563) 21.316 2.090 ( -8.135 18.390 19.643) 28.111 2.420 ( -1.411 0.491 6.832) 6.993 2.467 ( -4.637 14.678 -2.385) 15.577 2.738 ( 12.460 -5.908 -14.561) 20.055 2.979 ( -7.714 2.359 -7.685) 11.141 3.058 ( 0.104 -7.035 5.606) 8.996 3.182 ( 4.668 -3.981 2.859) 6.768 3.296 ( 0.714 0.436 1.133) 1.408 3.530 ( 1.298 -1.342 4.323) 4.709 3.623 ( 11.118 -1.261 -3.713) 11.790 3.732 ( -0.858 -10.435 -2.747) 10.824 3.879 ( 1.582 -2.727 -0.509) 3.193 4.155 ( 2.401 -1.076 -3.173) 4.122 4.233 ( 0.473 -0.923 1.938) 2.198 4.309 ( -4.341 -7.891 -0.341) 9.013 4.430 ( -3.086 -7.561 3.535) 8.899 4.479 ( -6.100 -0.758 3.986) 7.326 4.524 ( -5.466 -11.973 -1.392) 13.235 4.776 ( 0.199 -2.160 7.393) 7.705 4.877 ( 5.675 -9.269 -6.320) 12.572 4.979 ( -1.979 -3.684 0.148) 4.184 5.017 ( 8.997 6.480 -0.977) 11.131 5.158 ( -4.028 -0.682 1.411) 4.322 5.306 ( -2.467 4.655 -4.413) 6.873 5.496 ( 9.619 0.698 -3.661) 10.315 5.537 ( -2.432 2.244 -5.912) 6.775 5.618 ( 3.293 7.004 0.923) 7.795 5.764 ( 0.413 2.709 2.732) 3.870 6.113 ( -5.604 -6.902 1.721) 9.055 6.252 ( -0.690 2.472 -2.346) 3.477 6.442 ( 6.339 -9.152 12.257) 16.559 6.661 ( -7.556 11.124 1.910) 13.583 6.802 ( 1.284 -8.171 -9.576) 12.653 6.942 ( 1.605 1.398 11.261) 11.460 7.106 ( 10.761 -4.475 -10.593) 15.749 7.310 ( 2.498 -9.034 -2.891) 9.809 7.558 ( 1.612 -9.454 4.890) 10.765 7.713 ( 5.180 -4.244 2.239) 7.061 7.870 ( -4.824 -0.231 4.249) 6.432 7.953 ( -0.834 4.222 -1.701) 4.628 8.171 ( -6.456 2.569 1.031) 7.025 8.292 ( 3.258 4.577 0.795) 5.674 8.459 ( -1.400 5.014 -1.772) 5.499 8.488 ( 2.635 0.416 6.333) 6.872 8.642 ( 4.618 1.359 0.795) 4.879 8.860 ( -3.170 4.647 -2.681) 6.232 8.945 ( -3.150 5.503 -1.311) 6.475 9.026 ( 5.493 1.677 2.085) 6.110 9.132 ( -4.581 4.570 2.587) 6.968 9.206 ( -1.989 2.238 -1.899) 3.546 9.489 ( -2.121 -0.418 -6.602) 6.947 9.533 ( -0.243 -3.663 0.382) 3.691 9.730 ( 2.349 -4.482 -1.594) 5.305 9.962 ( -9.166 2.128 7.439) 11.995 10.002 ( -1.247 3.782 10.243) 10.989 11.037 ( 10.985 -0.812 -13.762) 17.627 11.180 ( 1.129 -4.503 -7.502) 8.822 11.519 ( 1.555 -0.981 -23.354) 23.426 11.560 ( 1.811 -7.394 -4.019) 8.609 11.767 ( 5.245 -4.253 5.777) 8.887 12.552 ( -8.184 2.164 21.755) 23.344 12.951 ( -4.307 13.215 -2.012) 14.044 13.637 ( -0.449 0.423 0.460) 0.769 13.668 ( -0.137 0.970 -0.959) 1.371 14.680 ( -1.773 0.819 0.140) 1.958 14.731 ( -1.994 1.903 0.439) 2.791 14.760 ( -3.300 2.771 -0.175) 4.313 15.216 ( 1.511 -0.671 -9.802) 9.940 21.011 ( -1.932 -2.767 5.971) 6.859 21.119 ( 0.190 -2.202 1.615) 2.737 21.164 ( -3.074 1.362 -5.647) 6.573 22.012 ( 0.033 -0.287 0.104) 0.307 22.018 ( 0.214 -0.047 -0.205) 0.300 22.431 ( -0.585 3.606 -51.570) 51.699 23.426 ( -1.478 0.237 2.403) 2.831 23.626 ( 0.709 0.291 -4.009) 4.082 23.984 ( 5.409 -2.888 25.169) 25.906 24.212 ( 4.130 4.950 -2.045) 6.763 24.390 ( -0.068 1.357 2.296) 2.668 24.559 ( -3.429 -0.446 -4.087) 5.353 24.690 ( 1.411 -0.280 -0.356) 1.482 24.768 ( 1.236 -1.368 16.245) 16.350 24.824 ( -3.936 0.851 3.452) 5.304 24.896 ( -3.321 0.813 1.050) 3.577 25.005 ( 3.668 -1.959 13.708) 14.325 26.126 ( 6.478 -10.576 -2.084) 12.576 ======================= Grid point 91 (34/115) ======================= q-point: (-0.11 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( -8.327 18.356 15.126) 25.201 0.823 ( -9.453 13.105 29.284) 33.446 1.338 ( -2.140 18.460 15.074) 23.929 1.657 ( -19.227 24.729 17.183) 35.728 1.814 ( 0.072 -5.088 6.335) 8.126 2.131 ( 0.895 11.384 11.609) 16.284 2.588 ( 1.905 -9.548 -12.042) 15.486 2.844 ( 1.252 1.979 -4.040) 4.670 2.870 ( 4.198 -4.220 -22.774) 23.539 3.099 ( 0.321 8.220 -11.828) 14.408 3.135 ( -0.696 -0.332 -3.153) 3.246 3.406 ( -2.140 -2.072 2.439) 3.850 3.544 ( 4.974 -0.447 9.487) 10.722 3.718 ( 8.399 0.669 1.013) 8.486 3.840 ( -6.408 1.891 -3.418) 7.505 3.958 ( 2.047 -15.236 -2.893) 15.643 4.150 ( 1.879 1.683 -2.814) 3.779 4.237 ( -3.435 -1.862 1.523) 4.193 4.330 ( -6.301 0.204 1.052) 6.391 4.442 ( -12.201 -3.844 -12.926) 18.185 4.548 ( 4.563 -7.713 -0.334) 8.968 4.766 ( -2.874 -16.207 1.421) 16.521 4.814 ( -1.669 -1.002 3.477) 3.985 4.944 ( 7.058 3.048 4.740) 9.032 5.015 ( 0.921 3.851 -2.022) 4.446 5.050 ( 2.707 0.033 1.392) 3.044 5.195 ( 2.376 -0.994 -0.140) 2.579 5.297 ( 0.581 -11.497 1.117) 11.566 5.340 ( -2.321 11.149 -3.361) 11.874 5.496 ( 1.537 7.401 2.439) 7.942 5.633 ( 8.489 -3.832 -5.254) 10.693 5.719 ( 0.297 6.249 0.605) 6.285 6.204 ( -4.399 -8.849 4.205) 10.740 6.258 ( 5.983 -3.790 -3.383) 7.849 6.391 ( -10.038 8.671 -0.021) 13.264 6.776 ( -1.450 2.245 8.280) 8.700 6.833 ( 7.472 -12.796 14.101) 20.455 7.104 ( 11.526 -17.278 7.945) 22.238 7.234 ( 0.168 -7.119 -7.282) 10.185 7.462 ( 8.877 -2.781 2.375) 9.601 7.714 ( 1.118 2.385 1.529) 3.045 7.795 ( 2.369 -11.529 0.830) 11.799 7.873 ( -1.534 -2.877 4.969) 5.943 7.942 ( -1.629 -3.411 1.525) 4.076 8.076 ( -7.750 1.603 1.644) 8.083 8.237 ( 5.100 7.382 1.083) 9.037 8.301 ( -6.463 6.211 -4.333) 9.956 8.540 ( 11.814 5.511 8.425) 15.522 8.688 ( 6.086 0.205 1.087) 6.186 8.723 ( -2.727 6.882 2.957) 7.971 8.875 ( 2.855 3.951 -1.683) 5.156 8.993 ( -1.638 5.975 -1.726) 6.431 9.053 ( -1.331 0.158 -0.537) 1.444 9.167 ( 2.600 1.853 -2.298) 3.934 9.458 ( -6.807 -3.481 -3.390) 8.363 9.581 ( -0.457 -1.738 0.952) 2.034 9.784 ( -2.756 -2.530 -3.195) 4.920 9.898 ( -4.233 -0.347 4.704) 6.338 9.994 ( -8.409 -1.874 12.475) 15.161 10.877 ( -3.247 26.844 -43.589) 51.295 11.164 ( 2.343 -1.322 -14.162) 14.415 11.560 ( 3.330 -6.251 1.746) 7.295 11.657 ( -0.171 -4.941 -6.642) 8.281 11.918 ( 3.597 -6.611 5.599) 9.380 12.535 ( -4.028 0.542 12.943) 13.566 12.679 ( -5.128 13.411 -0.266) 14.360 13.630 ( -0.277 0.238 0.418) 0.555 13.655 ( 0.232 0.275 -0.693) 0.781 14.651 ( -2.916 -0.229 -0.451) 2.959 14.689 ( -1.506 1.521 0.653) 2.238 14.693 ( -2.518 1.725 -0.086) 3.053 15.046 ( -6.611 15.527 -21.856) 27.613 21.034 ( -12.869 -6.445 1.901) 14.518 21.095 ( -1.177 1.373 -2.770) 3.308 21.185 ( 2.970 -1.765 0.221) 3.462 21.884 ( -14.046 31.375 -51.111) 61.596 22.017 ( -0.005 -0.204 0.053) 0.211 22.021 ( -0.283 0.386 -0.732) 0.874 23.419 ( -0.756 0.200 2.585) 2.701 23.617 ( 1.085 0.268 -2.573) 2.805 24.141 ( 4.550 -0.459 4.683) 6.546 24.216 ( 8.556 1.158 5.456) 10.214 24.366 ( -3.091 0.866 2.450) 4.038 24.526 ( -1.587 -0.802 -4.224) 4.583 24.703 ( 1.657 -0.089 -0.092) 1.662 24.751 ( -1.404 2.487 0.958) 3.013 24.815 ( -0.930 1.520 1.552) 2.363 24.859 ( -2.709 0.434 0.161) 2.748 25.533 ( 22.767 -35.299 49.949) 65.263 26.311 ( 3.857 -6.459 -1.351) 7.643 ======================= Grid point 93 (35/115) ======================= q-point: ( 0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( 3.322 -0.000 31.601) 31.775 0.992 ( 0.416 -0.000 12.691) 12.698 1.358 ( 16.918 -0.000 15.136) 22.701 1.765 ( -0.974 0.000 -1.263) 1.595 2.111 ( 29.106 -0.000 49.205) 57.169 2.275 ( -5.076 0.000 -23.586) 24.126 2.522 ( 14.749 -0.000 10.493) 18.101 2.641 ( -7.506 0.000 -22.482) 23.702 2.809 ( -13.574 0.000 14.111) 19.580 2.982 ( 10.338 -0.000 -14.642) 17.924 3.186 ( -10.129 0.000 -10.147) 14.338 3.322 ( 15.809 -0.000 6.185) 16.976 3.551 ( -10.093 0.000 -1.886) 10.268 3.847 ( -1.212 0.000 5.725) 5.852 3.859 ( 8.309 -0.000 -3.329) 8.951 3.915 ( -5.979 0.000 -19.405) 20.305 4.133 ( -0.736 0.000 5.083) 5.136 4.144 ( 0.001 -0.000 -8.995) 8.995 4.201 ( -3.774 0.000 -3.825) 5.374 4.230 ( -0.391 0.000 4.501) 4.518 4.543 ( -9.370 0.000 2.091) 9.600 4.799 ( -5.001 0.000 -6.549) 8.240 4.883 ( 2.266 -0.000 1.816) 2.904 4.943 ( 3.657 -0.000 4.183) 5.556 5.094 ( 5.325 -0.000 -3.176) 6.200 5.134 ( 2.314 -0.000 -0.429) 2.354 5.144 ( -5.088 0.000 2.509) 5.673 5.312 ( -10.082 0.000 0.454) 10.092 5.392 ( 1.695 -0.000 1.248) 2.105 5.422 ( -2.322 0.000 -8.999) 9.294 5.565 ( 7.287 -0.000 2.939) 7.857 5.851 ( 6.159 -0.000 -1.784) 6.413 6.063 ( -3.957 0.000 -5.992) 7.181 6.483 ( 4.196 -0.000 3.727) 5.612 6.532 ( 3.042 -0.000 -3.435) 4.588 6.667 ( -1.378 0.000 15.822) 15.881 6.761 ( -16.303 0.000 -8.933) 18.590 6.995 ( -9.584 0.000 7.446) 12.136 7.532 ( -6.406 0.000 10.491) 12.292 7.643 ( -17.673 0.000 -5.718) 18.575 7.655 ( -13.395 0.000 -0.739) 13.416 7.839 ( 0.137 -0.000 4.269) 4.272 7.848 ( -3.979 0.000 0.972) 4.095 7.939 ( -8.085 0.000 -0.585) 8.106 7.974 ( 4.459 -0.000 -6.938) 8.247 8.096 ( 7.149 -0.000 10.604) 12.789 8.347 ( 2.798 -0.000 -0.118) 2.800 8.628 ( 1.986 -0.000 13.559) 13.704 8.743 ( 0.109 -0.000 2.989) 2.991 8.758 ( -7.493 0.000 1.064) 7.568 8.916 ( -2.801 0.000 -6.527) 7.103 8.993 ( 1.752 -0.000 -0.891) 1.966 9.049 ( 9.715 -0.000 4.869) 10.867 9.147 ( 6.667 -0.000 -4.572) 8.084 9.489 ( -2.477 0.000 1.161) 2.736 9.553 ( 6.626 -0.000 -2.235) 6.993 9.784 ( -2.329 0.000 -3.992) 4.621 9.802 ( -4.228 0.000 2.405) 4.864 10.274 ( 2.380 -0.000 2.051) 3.142 10.419 ( 38.761 -0.000 -23.952) 45.564 11.073 ( -3.060 0.000 -1.123) 3.259 11.428 ( -1.815 0.000 -20.320) 20.400 11.725 ( -7.341 0.000 10.781) 13.043 11.983 ( -6.507 0.000 2.134) 6.848 12.479 ( -0.592 0.000 7.664) 7.687 12.664 ( 13.614 -0.000 1.105) 13.659 13.622 ( -0.395 0.000 0.216) 0.450 13.663 ( 0.750 -0.000 -0.344) 0.826 14.666 ( 1.267 -0.000 -0.346) 1.314 14.683 ( 3.309 -0.000 -0.115) 3.311 14.733 ( 3.079 -0.000 -0.116) 3.081 14.866 ( 14.532 -0.000 -10.157) 17.730 21.034 ( -2.262 0.000 -0.846) 2.415 21.111 ( 17.667 -0.000 -13.050) 21.964 21.235 ( -3.371 0.000 -3.366) 4.763 21.345 ( 5.926 -0.000 3.368) 6.816 22.015 ( -0.133 0.000 -0.091) 0.161 22.021 ( 0.008 -0.000 0.086) 0.087 23.411 ( -2.253 0.000 2.428) 3.313 23.624 ( 1.282 -0.000 -2.377) 2.701 24.172 ( -5.628 0.000 4.862) 7.438 24.225 ( -2.324 0.000 -5.335) 5.820 24.383 ( 7.685 -0.000 -0.210) 7.688 24.590 ( 1.162 -0.000 -2.959) 3.179 24.747 ( 3.274 -0.000 1.462) 3.586 24.749 ( -0.328 0.000 -0.336) 0.470 24.827 ( 1.577 -0.000 -1.430) 2.129 24.828 ( 3.678 -0.000 1.488) 3.968 25.958 ( -31.220 0.000 22.514) 38.491 26.282 ( -9.049 0.000 -2.715) 9.447 ======================= Grid point 94 (36/115) ======================= q-point: ( 0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( 19.928 -13.642 5.091) 24.680 1.300 ( 1.668 -20.522 15.985) 26.066 1.481 ( 12.836 7.637 12.064) 19.200 1.784 ( 1.326 -3.008 -4.475) 5.553 2.127 ( -5.458 2.254 -16.266) 17.304 2.523 ( -4.938 -5.194 -13.522) 15.304 2.604 ( 14.769 -2.474 20.635) 25.496 2.680 ( -1.907 -3.921 13.231) 13.931 2.842 ( 11.831 -8.471 18.785) 23.762 2.927 ( 6.908 10.367 -13.221) 18.166 3.040 ( -6.688 1.375 -13.497) 15.126 3.378 ( -5.280 4.714 11.062) 13.133 3.552 ( 4.399 -3.635 -4.878) 7.507 3.702 ( -6.996 8.527 -1.307) 11.107 3.793 ( 1.132 7.024 0.855) 7.165 3.932 ( -0.403 1.750 -1.406) 2.281 4.074 ( 2.493 -1.791 -2.763) 4.130 4.123 ( 2.422 -0.298 -0.988) 2.633 4.212 ( -4.566 -1.831 0.849) 4.993 4.345 ( -4.298 1.536 -8.523) 9.668 4.412 ( -1.959 -5.768 4.533) 7.593 4.762 ( -1.325 0.881 -0.094) 1.594 4.849 ( -3.993 -3.674 -6.246) 8.274 4.917 ( -7.242 7.488 4.915) 11.519 5.075 ( -1.596 2.825 0.617) 3.303 5.160 ( 1.729 -4.897 -5.337) 7.446 5.205 ( 3.653 0.293 1.275) 3.881 5.299 ( -0.571 -3.966 -2.298) 4.619 5.384 ( -4.444 -2.497 -4.591) 6.860 5.443 ( 1.141 -5.998 1.302) 6.243 5.599 ( 7.509 4.262 -0.498) 8.649 5.838 ( -0.087 6.860 3.310) 7.618 5.959 ( 4.184 8.510 -7.810) 12.285 6.422 ( 2.090 2.895 -4.914) 6.074 6.499 ( 1.932 9.525 5.118) 10.984 6.629 ( -17.968 -4.752 2.705) 18.782 6.760 ( -3.359 -1.612 2.940) 4.745 6.902 ( -5.622 1.743 11.580) 12.990 7.365 ( -15.215 7.215 -3.589) 17.217 7.447 ( -13.566 5.213 -5.474) 15.530 7.589 ( 7.279 -3.019 4.504) 9.076 7.785 ( -4.882 6.799 2.987) 8.887 7.827 ( 0.559 -2.833 2.716) 3.964 7.935 ( 3.256 0.481 -8.106) 8.749 8.038 ( -0.636 -5.447 0.880) 5.554 8.155 ( 5.172 4.692 5.112) 8.654 8.336 ( 3.075 -0.496 -0.533) 3.160 8.638 ( -1.928 1.997 5.738) 6.374 8.718 ( -3.564 3.159 -3.022) 5.641 8.761 ( 1.745 -2.254 6.135) 6.765 8.912 ( -3.251 -1.427 -2.691) 4.455 9.055 ( 4.178 -4.015 1.259) 5.930 9.182 ( 3.987 -5.029 4.711) 7.961 9.250 ( 3.901 -6.457 -2.806) 8.049 9.495 ( -1.308 -2.242 -0.452) 2.635 9.674 ( -0.196 -1.106 2.255) 2.519 9.717 ( -2.879 1.111 -1.573) 3.464 9.773 ( 4.151 -2.426 3.864) 6.168 10.141 ( 8.075 10.968 1.486) 13.701 10.803 ( 7.900 -15.525 -22.166) 28.192 11.020 ( -2.245 3.142 -0.229) 3.868 11.370 ( 2.547 -1.073 -20.276) 20.464 11.624 ( -6.987 5.445 6.326) 10.885 11.909 ( -3.526 4.200 1.685) 5.737 12.493 ( -1.203 -0.274 11.352) 11.419 12.907 ( 11.633 -10.325 1.151) 15.597 13.621 ( -0.228 -0.217 0.027) 0.316 13.674 ( 1.220 -0.416 -0.433) 1.360 14.685 ( 2.058 -0.626 -0.246) 2.165 14.734 ( 4.441 -0.897 1.459) 4.760 14.774 ( 3.551 -1.909 -0.041) 4.032 14.976 ( 6.023 -3.341 -9.888) 12.050 20.969 ( 0.028 5.176 0.936) 5.260 21.083 ( 1.767 2.921 -2.647) 4.320 21.357 ( 4.268 -5.175 -5.672) 8.785 21.493 ( 7.165 -11.096 -10.626) 16.952 22.012 ( -0.151 0.137 -0.042) 0.208 22.021 ( -0.046 -0.006 0.090) 0.102 23.393 ( -2.909 0.182 2.529) 3.859 23.623 ( 1.136 0.467 -2.157) 2.483 24.115 ( -4.829 1.862 1.291) 5.335 24.222 ( -2.165 -3.333 -2.120) 4.504 24.449 ( 7.893 1.342 0.622) 8.031 24.584 ( 0.060 -0.524 -3.302) 3.344 24.733 ( 0.039 0.379 -1.133) 1.196 24.816 ( 2.861 -2.252 1.589) 3.972 24.849 ( 2.260 -1.092 -0.758) 2.622 24.882 ( 3.870 -1.513 1.722) 4.498 25.648 ( -22.349 13.373 27.668) 37.998 26.113 ( -12.209 6.384 -5.499) 14.834 ======================= Grid point 95 (37/115) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 6.068 3.780 -3.317) 7.881 1.640 ( 21.530 -19.529 -3.018) 29.223 1.678 ( 3.914 -14.652 0.986) 15.197 1.884 ( 6.696 -6.802 9.425) 13.414 1.980 ( -9.726 1.273 -12.664) 16.019 2.562 ( -6.489 -9.974 -5.560) 13.134 2.679 ( -2.465 0.065 13.476) 13.700 2.733 ( -2.422 4.741 -11.914) 13.050 2.767 ( 4.375 1.936 -4.842) 6.807 2.908 ( 13.130 8.760 -1.114) 15.823 3.279 ( 7.961 -6.663 14.673) 17.974 3.305 ( -8.492 1.351 9.893) 13.108 3.463 ( -3.627 3.700 -1.078) 5.292 3.511 ( -8.640 7.538 0.053) 11.466 3.787 ( 11.633 5.431 2.177) 13.022 3.861 ( -2.337 3.756 -3.147) 5.429 4.074 ( -3.227 -0.853 2.115) 3.951 4.134 ( -6.189 2.485 4.942) 8.301 4.225 ( -1.453 -1.874 -1.818) 2.988 4.265 ( 9.122 -2.559 -1.628) 9.613 4.587 ( -1.264 -3.153 3.459) 4.849 4.715 ( -4.478 2.161 -11.672) 12.687 4.743 ( -0.084 -1.880 2.743) 3.326 4.889 ( -3.055 -4.183 -5.148) 7.303 4.984 ( 0.487 8.570 4.994) 9.931 5.151 ( -10.374 0.886 -2.607) 10.733 5.240 ( 3.225 -3.112 -4.283) 6.199 5.310 ( -3.846 -4.183 -3.130) 6.488 5.414 ( 3.601 2.210 3.046) 5.209 5.558 ( 3.894 -0.564 1.160) 4.102 5.633 ( 3.075 -3.553 -3.792) 6.038 5.731 ( -1.549 1.792 8.242) 8.576 5.839 ( 7.716 8.015 -9.957) 14.930 6.294 ( -13.339 10.616 9.705) 19.617 6.414 ( 3.107 1.052 -6.034) 6.868 6.540 ( -0.827 2.428 -3.504) 4.342 6.775 ( 6.494 2.364 -0.771) 6.954 6.891 ( -5.898 -0.275 3.003) 6.624 7.186 ( -14.708 -0.679 6.623) 16.145 7.248 ( -8.535 -0.225 -5.723) 10.278 7.584 ( -4.007 8.545 6.458) 11.436 7.670 ( -3.860 2.783 -2.800) 5.521 7.889 ( 1.563 0.104 4.145) 4.431 8.018 ( 2.944 -4.693 -3.182) 6.389 8.084 ( 8.984 0.627 0.131) 9.006 8.160 ( 3.726 -3.585 -1.534) 5.393 8.414 ( 4.975 -1.253 3.952) 6.476 8.579 ( -5.428 2.605 -2.514) 6.525 8.654 ( -1.768 0.031 2.287) 2.891 8.800 ( -0.063 1.142 -1.724) 2.069 8.907 ( -0.407 -3.248 4.182) 5.311 9.137 ( 2.085 -1.874 -0.199) 2.810 9.298 ( 1.254 -3.376 3.642) 5.122 9.375 ( 0.622 -5.385 -1.406) 5.600 9.522 ( -0.951 -2.543 -0.415) 2.747 9.600 ( -2.258 2.263 -1.817) 3.677 9.635 ( -1.698 4.595 -0.806) 4.965 9.974 ( 1.407 -6.165 7.903) 10.121 10.128 ( 9.631 -0.002 2.451) 9.938 10.894 ( -2.078 0.462 -4.556) 5.028 10.986 ( 0.761 -4.370 -11.845) 12.648 11.297 ( -2.739 4.501 -8.365) 9.886 11.562 ( 1.484 -1.514 -6.642) 6.972 11.787 ( -0.481 8.241 -1.184) 8.339 12.544 ( -4.098 -2.578 15.876) 16.598 13.155 ( 7.783 -8.235 -0.241) 11.333 13.626 ( 0.044 -0.503 -0.057) 0.508 13.695 ( 1.496 -0.791 -0.455) 1.753 14.716 ( 1.994 -0.689 -0.028) 2.110 14.792 ( 4.052 -0.515 2.100) 4.592 14.850 ( 2.213 -3.470 -0.038) 4.116 15.005 ( 1.128 -0.196 -6.227) 6.331 20.904 ( 0.945 4.206 4.587) 6.294 21.059 ( -1.364 0.054 -0.093) 1.369 21.430 ( 3.490 -2.105 -6.975) 8.079 21.691 ( 6.775 -10.565 -12.868) 17.975 22.009 ( -0.145 0.049 0.057) 0.163 22.022 ( -0.022 -0.225 -0.203) 0.304 23.373 ( -3.124 -0.073 3.043) 4.362 23.616 ( 0.545 0.534 -1.268) 1.480 24.042 ( -4.141 2.165 0.020) 4.673 24.260 ( -1.381 -3.806 -1.194) 4.221 24.491 ( 5.757 1.486 1.164) 6.058 24.584 ( 2.156 0.736 -2.887) 3.678 24.727 ( 0.284 -0.041 -2.446) 2.463 24.866 ( 1.156 -1.530 -0.127) 1.922 24.898 ( 1.761 -1.578 2.831) 3.688 24.954 ( 2.980 -2.160 1.652) 4.034 25.370 ( -13.391 11.198 24.472) 30.060 25.837 ( -12.300 9.205 -8.981) 17.796 ======================= Grid point 96 (38/115) ======================= q-point: ( 0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -1.054 2.020 -8.524) 8.824 1.728 ( 1.442 -1.472 -7.267) 7.554 1.970 ( 0.720 -7.404 2.504) 7.849 2.081 ( 11.699 -12.042 9.370) 19.227 2.197 ( 11.672 -14.679 -2.686) 18.945 2.535 ( -6.899 0.890 1.022) 7.031 2.632 ( 6.453 6.363 -13.758) 16.474 2.714 ( -8.304 -7.588 -7.351) 13.438 2.806 ( 2.511 -3.191 9.569) 10.395 2.957 ( 13.674 4.495 3.881) 14.908 3.180 ( -5.723 4.248 1.572) 7.298 3.262 ( -4.836 3.656 0.150) 6.064 3.332 ( -4.521 3.050 -0.993) 5.544 3.490 ( -1.970 1.596 -3.635) 4.432 3.718 ( -5.321 4.882 -1.232) 7.326 3.803 ( 6.081 7.026 5.867) 10.990 4.019 ( -4.374 -0.484 1.677) 4.709 4.172 ( 2.611 -0.111 -0.023) 2.613 4.235 ( -5.424 -2.374 1.597) 6.132 4.368 ( 6.179 1.412 1.953) 6.633 4.516 ( -4.178 0.165 3.628) 5.535 4.661 ( 2.436 4.378 -4.522) 6.749 4.758 ( -4.251 0.626 -3.998) 5.870 4.882 ( 0.850 3.029 -5.436) 6.281 4.984 ( 4.421 -3.154 2.793) 6.107 4.995 ( -10.128 1.685 6.409) 12.103 5.321 ( 0.488 3.255 -4.407) 5.500 5.350 ( 3.576 -8.497 -0.383) 9.227 5.417 ( 2.307 -2.061 6.473) 7.175 5.544 ( 1.301 4.310 -3.926) 5.974 5.639 ( 3.343 2.910 5.378) 6.969 5.782 ( 0.279 -0.233 -3.727) 3.744 5.895 ( 0.187 -13.210 -7.922) 15.404 6.058 ( -10.411 6.035 6.199) 13.536 6.314 ( 6.354 12.513 2.519) 14.258 6.575 ( -0.380 -6.601 -8.171) 10.510 6.767 ( -4.029 4.484 -0.710) 6.070 6.794 ( 5.164 4.124 -5.793) 8.789 7.121 ( -6.950 -2.634 0.116) 7.434 7.293 ( -6.805 -8.322 12.437) 16.439 7.432 ( -2.905 6.791 4.292) 8.543 7.538 ( -3.829 7.346 -1.019) 8.346 7.913 ( 0.381 0.363 4.271) 4.304 8.037 ( -0.102 -2.432 -0.176) 2.441 8.158 ( 0.063 -2.003 -1.597) 2.562 8.331 ( 12.835 -3.229 0.039) 13.235 8.429 ( 2.134 4.096 -0.468) 4.642 8.521 ( -2.076 0.040 1.491) 2.556 8.633 ( -3.424 -0.920 -0.611) 3.598 8.806 ( 1.499 -2.630 -0.428) 3.058 9.006 ( 0.077 -5.695 4.650) 7.352 9.159 ( 0.001 -0.478 -3.240) 3.275 9.322 ( -1.878 0.775 3.280) 3.858 9.378 ( -2.242 1.548 -3.006) 4.057 9.551 ( -0.753 -1.587 1.421) 2.259 9.554 ( 2.699 4.846 -3.974) 6.824 9.594 ( 0.157 -1.988 -2.467) 3.172 10.049 ( -1.332 -2.604 5.181) 5.950 10.254 ( 3.495 -2.936 3.027) 5.477 10.863 ( 5.118 2.790 0.887) 5.896 11.009 ( -3.405 -2.819 -6.822) 8.129 11.181 ( -3.568 1.060 -4.434) 5.789 11.592 ( -0.417 -2.005 -4.525) 4.967 11.656 ( 5.572 6.139 -12.586) 15.071 12.595 ( -6.404 -1.856 19.175) 20.301 13.305 ( 4.542 -3.664 -2.017) 6.174 13.637 ( 0.138 -0.655 0.184) 0.694 13.719 ( 1.306 -0.509 -0.502) 1.489 14.736 ( 1.253 0.301 0.441) 1.362 14.832 ( 1.272 -0.275 0.333) 1.344 14.920 ( 2.068 -3.254 -0.874) 3.953 14.980 ( -0.225 1.598 -1.438) 2.162 20.890 ( 2.223 2.195 7.814) 8.415 21.049 ( -2.828 -0.836 1.302) 3.224 21.433 ( 1.694 0.955 -10.334) 10.516 21.880 ( 6.809 -9.152 -8.408) 14.171 22.008 ( -0.086 0.023 0.086) 0.124 22.035 ( 0.836 -2.275 -2.223) 3.289 23.363 ( -2.931 -0.787 3.807) 4.868 23.610 ( 0.001 0.225 -0.258) 0.343 23.972 ( -3.487 2.297 1.488) 4.433 24.300 ( -0.904 -2.802 -1.622) 3.361 24.522 ( 3.506 0.313 0.364) 3.539 24.575 ( 4.525 3.274 -0.957) 5.667 24.717 ( 0.491 0.699 -3.026) 3.145 24.890 ( -0.602 -1.134 -0.071) 1.286 24.937 ( 0.322 0.168 5.436) 5.448 24.983 ( -1.223 1.503 3.213) 3.752 25.224 ( -6.293 4.330 12.847) 14.947 25.576 ( -7.621 5.006 -9.439) 13.124 ======================= Grid point 97 (39/115) ======================= q-point: (-0.44 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -11.081 4.187 -16.310) 20.158 1.824 ( 3.055 1.209 4.071) 5.231 2.171 ( 6.679 -8.878 10.154) 15.051 2.291 ( 6.090 0.591 6.337) 8.809 2.417 ( 7.234 -4.900 -3.570) 9.439 2.476 ( 6.232 5.709 -14.434) 16.727 2.599 ( -2.461 -4.620 3.626) 6.368 2.723 ( -9.971 -6.808 -7.352) 14.136 2.843 ( 3.569 8.204 11.815) 14.820 3.021 ( 8.030 1.611 0.021) 8.190 3.138 ( -5.170 1.671 -5.037) 7.409 3.187 ( -0.271 -6.276 -3.363) 7.125 3.323 ( -0.408 -2.294 -7.451) 7.807 3.391 ( 1.042 0.662 -5.393) 5.532 3.624 ( -1.431 1.444 0.606) 2.121 3.753 ( 1.113 3.373 2.528) 4.359 4.009 ( -6.950 -1.434 1.250) 7.206 4.094 ( -3.649 3.544 -2.088) 5.499 4.248 ( -3.679 -0.766 1.363) 3.997 4.284 ( -0.599 8.148 3.760) 8.994 4.550 ( 1.147 5.061 -7.163) 8.845 4.597 ( -0.998 -3.372 8.583) 9.275 4.722 ( -9.147 1.410 6.523) 11.323 4.780 ( 2.686 0.047 -1.953) 3.322 5.005 ( 3.686 0.792 -0.071) 3.771 5.039 ( 4.720 3.005 -1.020) 5.687 5.309 ( 3.911 -1.396 2.195) 4.698 5.405 ( -2.898 6.583 4.304) 8.382 5.450 ( 2.093 3.575 -5.388) 6.796 5.526 ( -3.070 -3.653 4.590) 6.621 5.699 ( 2.303 -6.039 3.548) 7.373 5.781 ( -1.615 -4.010 -1.639) 4.623 5.951 ( 1.165 0.814 -1.222) 1.874 6.101 ( -3.964 -15.165 -9.234) 18.192 6.225 ( 6.918 7.618 6.008) 11.915 6.607 ( 0.645 -0.973 -11.683) 11.741 6.663 ( -4.566 -0.621 -3.108) 5.558 6.795 ( 6.648 2.935 1.736) 7.472 7.115 ( -2.822 -2.479 -2.404) 4.459 7.345 ( -4.470 3.596 -2.506) 6.260 7.395 ( -4.319 -2.440 13.430) 14.317 7.422 ( 0.556 1.305 9.544) 9.649 7.898 ( -3.214 1.315 2.318) 4.175 8.098 ( -0.940 -3.256 3.728) 5.038 8.174 ( 1.954 -1.086 -2.445) 3.313 8.401 ( 3.584 1.156 -3.030) 4.833 8.434 ( 7.820 2.480 2.947) 8.717 8.494 ( -3.764 0.162 2.307) 4.417 8.637 ( -1.061 -1.067 -1.286) 1.979 8.876 ( 0.046 -4.079 1.149) 4.238 9.073 ( -3.162 -1.069 -2.143) 3.967 9.154 ( 0.817 -2.364 -1.454) 2.893 9.304 ( -2.461 3.135 0.515) 4.019 9.319 ( 1.288 0.599 -0.527) 1.515 9.496 ( 4.376 4.549 -3.803) 7.369 9.565 ( -0.414 -1.006 -1.865) 2.159 9.597 ( -0.420 0.643 -1.996) 2.139 10.061 ( -4.756 0.050 3.985) 6.205 10.295 ( 0.682 1.368 3.888) 4.178 10.897 ( 4.112 -0.241 2.373) 4.754 10.979 ( 0.876 1.150 -2.792) 3.144 11.191 ( -2.615 -6.840 -3.935) 8.313 11.552 ( 1.480 2.866 -1.624) 3.611 11.643 ( 5.234 -2.012 -20.006) 20.777 12.617 ( -7.920 -0.299 21.519) 22.932 13.346 ( 2.245 1.331 -3.124) 4.071 13.648 ( -0.024 -0.362 0.494) 0.613 13.727 ( 0.693 0.508 -0.603) 1.050 14.735 ( 0.812 1.061 0.971) 1.652 14.823 ( -1.077 0.855 -1.843) 2.299 14.935 ( -0.810 2.583 -0.195) 2.714 15.005 ( 2.370 -4.208 0.004) 4.829 20.926 ( 3.384 0.589 9.723) 10.312 21.038 ( -4.110 -1.242 1.530) 4.558 21.369 ( 0.735 3.452 -9.857) 10.470 21.988 ( 1.524 -1.601 -1.191) 2.511 22.007 ( -0.063 0.013 0.101) 0.120 22.149 ( 6.062 -10.301 -13.228) 17.827 23.371 ( -2.674 -1.724 4.226) 5.290 23.609 ( -0.064 -0.152 0.613) 0.635 23.921 ( -2.378 2.002 6.468) 7.176 24.317 ( -0.652 -0.983 -2.446) 2.716 24.536 ( -0.527 -0.342 -3.887) 3.938 24.568 ( 8.017 4.895 3.657) 10.079 24.691 ( 0.359 1.713 -1.925) 2.601 24.878 ( -5.241 1.948 4.159) 6.969 24.905 ( 0.002 3.243 3.661) 4.891 24.967 ( -0.743 -0.092 0.292) 0.803 25.123 ( -6.375 4.373 2.418) 8.100 25.547 ( 1.524 -7.187 -4.449) 8.588 ======================= Grid point 98 (40/115) ======================= q-point: (-0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( -5.475 -4.789 -6.587) 9.813 1.740 ( -0.783 11.534 6.586) 13.305 2.084 ( 4.940 19.510 -14.051) 24.546 2.316 ( 0.084 3.905 -1.243) 4.099 2.409 ( 0.874 6.643 -14.985) 16.415 2.533 ( -2.287 2.153 -10.992) 11.432 2.688 ( 2.345 6.465 16.524) 17.898 2.708 ( 2.686 -12.001 12.403) 17.466 2.792 ( 3.270 0.408 2.814) 4.333 3.002 ( -5.269 -2.697 -10.904) 12.407 3.097 ( -2.843 1.755 1.108) 3.520 3.231 ( -0.771 -3.411 2.209) 4.137 3.378 ( 0.083 -6.671 -7.089) 9.735 3.531 ( 10.533 -7.712 -2.756) 13.342 3.616 ( -0.854 0.879 4.047) 4.229 3.777 ( 5.605 -1.080 -3.089) 6.490 3.966 ( -8.043 -5.148 3.754) 10.261 4.052 ( -4.993 -3.632 3.666) 7.181 4.151 ( 0.265 3.008 -1.221) 3.257 4.266 ( -6.591 -1.348 5.315) 8.573 4.430 ( -1.118 3.096 -0.886) 3.409 4.642 ( -4.714 2.549 8.578) 10.114 4.692 ( 6.004 -1.343 -5.495) 8.249 4.873 ( -1.185 -6.075 4.816) 7.842 4.904 ( 5.655 11.476 -3.057) 13.154 5.056 ( 2.243 0.432 2.532) 3.410 5.253 ( -4.166 6.236 1.404) 7.630 5.366 ( -2.097 0.458 -4.011) 4.549 5.432 ( 2.685 -0.887 -3.499) 4.499 5.524 ( 1.030 -1.300 2.709) 3.177 5.803 ( -1.609 -2.878 2.119) 3.920 5.840 ( 1.878 0.100 0.661) 1.994 5.983 ( -0.631 -4.034 3.164) 5.165 6.200 ( 1.558 3.226 4.390) 5.666 6.285 ( -1.965 -12.502 -8.313) 15.142 6.560 ( 0.693 -0.160 -11.859) 11.881 6.720 ( 3.671 -8.314 -6.847) 11.379 6.841 ( 6.284 0.103 3.386) 7.139 7.137 ( -0.461 -3.581 -2.267) 4.263 7.189 ( -4.057 7.839 1.892) 9.027 7.462 ( -1.617 -0.289 17.311) 17.389 7.497 ( 2.211 -6.239 1.158) 6.719 7.843 ( -5.473 0.461 0.487) 5.514 8.099 ( -1.437 2.700 4.274) 5.256 8.216 ( -0.836 -1.439 -0.647) 1.786 8.408 ( -3.903 2.370 1.744) 4.888 8.452 ( 8.438 -0.965 -0.583) 8.513 8.511 ( 5.151 0.072 1.647) 5.408 8.621 ( -2.940 -0.617 0.032) 3.004 8.918 ( -4.597 -1.928 -1.416) 5.183 9.019 ( -1.199 0.304 -2.732) 2.999 9.189 ( -1.560 6.349 -6.191) 9.004 9.216 ( 1.058 -0.421 2.592) 2.831 9.315 ( 1.181 2.515 1.516) 3.165 9.477 ( 4.538 1.783 -1.572) 5.123 9.544 ( -0.438 1.341 -7.666) 7.795 9.599 ( 1.527 -1.816 1.988) 3.095 10.003 ( -7.059 1.775 6.048) 9.464 10.246 ( -1.289 6.520 6.210) 9.096 10.953 ( -0.153 -4.508 -3.743) 5.861 11.007 ( 6.748 -1.340 0.264) 6.885 11.295 ( -0.691 -8.331 -1.592) 8.509 11.538 ( 6.938 1.139 -15.992) 17.470 11.649 ( 0.094 -3.049 -9.636) 10.107 12.612 ( -8.502 1.108 22.928) 24.479 13.285 ( 0.673 6.473 -3.086) 7.203 13.649 ( -0.250 0.218 0.514) 0.612 13.712 ( 0.189 1.429 -0.705) 1.605 14.729 ( 1.324 1.544 1.363) 2.448 14.781 ( -2.170 1.428 -1.363) 2.933 14.872 ( -1.604 3.640 -0.067) 3.978 15.099 ( 1.964 -4.976 -2.177) 5.775 20.984 ( 0.520 0.490 10.222) 10.247 21.032 ( -2.289 -2.605 0.270) 3.478 21.279 ( 1.218 4.606 -7.404) 8.804 22.004 ( 0.157 -0.215 -0.051) 0.271 22.011 ( 0.221 -0.355 -0.027) 0.419 22.299 ( 4.941 -8.647 -25.379) 27.263 23.392 ( -2.855 -1.983 3.608) 5.010 23.618 ( 0.471 -0.417 0.093) 0.636 23.928 ( 0.108 -0.120 16.195) 16.195 24.305 ( 0.259 0.749 -3.248) 3.343 24.507 ( 0.666 2.312 -2.511) 3.478 24.559 ( 1.343 3.091 -1.960) 3.899 24.682 ( 3.427 0.958 3.614) 5.072 24.794 ( -4.521 2.846 5.214) 7.465 24.879 ( -0.825 1.629 1.308) 2.247 24.943 ( -1.914 1.958 1.171) 2.978 25.036 ( -3.080 1.433 2.447) 4.186 25.728 ( 3.769 -12.357 -3.618) 13.416 ======================= Grid point 99 (41/115) ======================= q-point: (-0.22 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 1.386 -2.347 3.005) 4.057 1.534 ( -2.015 11.846 7.870) 14.364 1.640 ( -1.225 28.978 -10.647) 30.896 2.053 ( 5.356 17.448 -16.383) 24.526 2.336 ( -1.790 -1.178 -3.551) 4.148 2.485 ( 2.428 12.915 12.180) 17.918 2.637 ( -3.109 5.200 -6.787) 9.098 2.704 ( 5.733 1.062 -8.562) 10.359 2.904 ( -8.291 3.933 1.298) 9.268 2.941 ( -6.146 -3.933 3.244) 7.985 3.143 ( 4.350 -8.087 8.448) 12.478 3.310 ( 0.133 -1.357 1.330) 1.905 3.401 ( -8.582 -6.545 0.161) 10.794 3.624 ( 0.077 -3.184 0.733) 3.268 3.712 ( 11.711 -1.930 -5.048) 12.898 3.868 ( 5.437 -4.756 -1.717) 7.425 4.038 ( -11.320 -9.451 0.241) 14.748 4.111 ( -2.708 -2.729 -0.405) 3.866 4.197 ( 4.325 -5.159 1.916) 6.999 4.306 ( 2.636 -10.135 3.469) 11.032 4.438 ( 2.382 -0.137 3.525) 4.257 4.538 ( -8.160 6.491 9.387) 14.030 4.755 ( 1.086 -1.055 -0.581) 1.621 4.794 ( 3.962 -0.826 -4.169) 5.811 4.951 ( 2.410 -1.147 5.730) 6.321 5.117 ( 3.098 -0.654 1.858) 3.671 5.154 ( 0.603 3.378 -2.730) 4.385 5.329 ( -2.267 1.187 0.736) 2.663 5.428 ( -0.648 -6.055 -11.467) 12.983 5.603 ( 7.025 1.456 -0.070) 7.175 5.762 ( -6.253 3.087 -2.365) 7.364 5.816 ( 3.934 6.407 2.797) 8.022 6.025 ( -4.526 -1.437 4.376) 6.458 6.171 ( -6.515 -3.346 -0.495) 7.341 6.412 ( -0.114 -6.646 4.991) 8.312 6.573 ( -2.075 -5.365 -12.008) 13.315 6.830 ( 3.279 2.380 -4.607) 6.135 6.891 ( 3.086 -2.363 -3.674) 5.349 7.157 ( 5.061 -8.300 2.763) 10.106 7.231 ( 6.402 -1.874 2.790) 7.231 7.504 ( 1.368 -0.939 8.665) 8.822 7.630 ( -1.344 -8.019 -0.028) 8.131 7.802 ( -5.187 -1.070 3.135) 6.155 8.037 ( -2.524 4.592 4.904) 7.176 8.162 ( -4.358 3.633 -2.529) 6.212 8.338 ( -3.711 1.791 1.765) 4.483 8.506 ( -0.769 4.175 2.347) 4.851 8.579 ( 9.984 -2.081 -1.199) 10.269 8.665 ( 4.231 -3.735 2.355) 6.115 8.832 ( -8.398 1.723 -4.159) 9.529 8.996 ( -3.390 6.080 -3.973) 8.016 9.081 ( 4.527 -1.103 -3.923) 6.091 9.179 ( -4.116 4.034 3.793) 6.899 9.282 ( 2.890 5.978 2.034) 6.945 9.497 ( 1.419 -0.944 -2.166) 2.756 9.504 ( 4.272 2.188 -3.986) 6.239 9.678 ( 2.735 -4.110 0.374) 4.952 9.924 ( -9.191 1.468 7.390) 11.885 10.122 ( -3.330 8.711 9.004) 12.963 11.013 ( -0.630 -5.836 -7.560) 9.571 11.142 ( 11.704 -3.938 -2.425) 12.584 11.405 ( -0.526 -5.217 -5.234) 7.409 11.491 ( 4.224 0.414 -23.760) 24.136 11.707 ( -1.039 -6.271 0.532) 6.379 12.589 ( -8.001 1.943 22.503) 23.962 13.132 ( 0.118 11.588 -2.085) 11.775 13.642 ( -0.317 0.483 0.382) 0.692 13.686 ( 0.177 1.519 -0.791) 1.722 14.706 ( 0.148 2.794 -0.061) 2.799 14.743 ( -0.981 1.178 1.077) 1.873 14.793 ( -1.342 3.959 -0.217) 4.186 15.167 ( 0.619 -3.083 -6.883) 7.567 20.973 ( -5.494 -0.071 4.919) 7.374 21.084 ( -0.368 -2.766 0.548) 2.844 21.210 ( 4.978 4.368 -2.334) 7.022 22.008 ( -0.012 -0.232 0.101) 0.254 22.017 ( 0.157 -0.213 -0.091) 0.280 22.293 ( 0.563 -0.395 -39.875) 39.880 23.404 ( -2.734 -1.322 3.653) 4.750 23.623 ( 0.543 0.067 -1.567) 1.660 24.049 ( 3.499 -3.769 19.644) 20.306 24.285 ( 2.461 1.585 -2.840) 4.078 24.458 ( 0.499 4.062 0.246) 4.100 24.498 ( -3.482 0.276 -5.489) 6.506 24.725 ( 3.550 1.254 1.468) 4.041 24.783 ( -2.318 -2.646 13.669) 14.115 24.844 ( -0.477 2.580 3.070) 4.038 24.894 ( -1.776 2.055 1.218) 2.976 25.029 ( -0.323 -1.480 8.195) 8.334 25.961 ( 2.811 -13.550 -3.673) 14.318 ======================= Grid point 100 (42/115) ======================= q-point: (-0.11 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.038 ( -3.655 19.316 7.936) 21.200 1.079 ( 2.756 27.030 3.805) 27.435 1.624 ( 4.816 2.050 2.016) 5.609 1.858 ( 8.730 7.661 0.441) 11.623 2.135 ( -2.868 28.501 29.300) 40.976 2.393 ( -2.234 10.628 8.472) 13.774 2.441 ( 5.049 1.675 -8.314) 9.871 2.672 ( -8.082 -4.452 -16.608) 18.999 2.885 ( 6.784 -1.652 -5.977) 9.191 2.967 ( -7.538 -5.373 -6.286) 11.190 3.218 ( 0.001 -0.556 -9.127) 9.144 3.346 ( -0.348 -3.201 2.887) 4.324 3.503 ( -3.072 -8.966 1.792) 9.645 3.712 ( -3.676 -8.506 3.577) 9.932 3.820 ( 12.263 0.163 -3.913) 12.873 3.880 ( -1.652 4.528 -1.492) 5.046 4.048 ( -10.616 -7.047 -2.176) 12.927 4.141 ( 0.461 -3.254 -4.846) 5.856 4.311 ( -2.340 0.422 1.106) 2.623 4.425 ( -3.948 -8.242 3.931) 9.949 4.451 ( 3.465 4.580 2.943) 6.454 4.560 ( 4.864 -6.263 1.789) 8.129 4.775 ( -0.723 -5.030 8.743) 10.113 4.995 ( 4.909 -13.226 -0.325) 14.111 5.030 ( 3.999 -0.945 2.882) 5.019 5.098 ( -1.809 2.362 -0.481) 3.014 5.124 ( 3.517 0.847 0.545) 3.659 5.281 ( 2.898 3.030 -4.864) 6.422 5.476 ( 1.700 8.693 -4.214) 9.809 5.607 ( 4.322 -3.722 -3.947) 6.937 5.677 ( -5.928 -3.050 -5.743) 8.799 5.696 ( -1.092 9.015 1.689) 9.237 6.005 ( -8.353 -4.055 1.520) 9.409 6.232 ( 0.108 -6.323 6.177) 8.840 6.440 ( -5.323 7.341 -2.386) 9.376 6.612 ( -2.877 -14.352 8.357) 16.855 6.868 ( 5.380 -1.236 1.303) 5.672 6.962 ( -3.207 -7.913 -3.826) 9.356 7.273 ( 11.778 6.829 -2.206) 13.792 7.429 ( 10.073 -12.352 1.132) 15.978 7.620 ( 0.269 -9.083 1.968) 9.297 7.695 ( -7.564 -4.103 1.162) 8.684 7.798 ( -4.755 -2.112 4.938) 7.173 7.953 ( -3.656 2.958 8.012) 9.290 8.056 ( -0.969 3.353 -7.190) 7.993 8.278 ( -3.682 2.167 -1.770) 4.624 8.405 ( -2.806 6.697 3.789) 8.190 8.671 ( 5.162 -1.010 -1.992) 5.625 8.698 ( -11.525 1.847 1.571) 11.778 8.782 ( 10.736 1.308 3.397) 11.336 8.907 ( 1.491 -1.104 -4.005) 4.413 9.036 ( -5.707 5.860 -0.304) 8.186 9.178 ( 6.257 9.210 0.629) 11.152 9.205 ( 3.755 -3.178 2.873) 5.697 9.490 ( 6.836 5.362 -2.993) 9.189 9.534 ( 0.667 -3.211 -1.305) 3.529 9.751 ( 1.668 -0.946 -0.965) 2.146 9.849 ( -8.387 -0.783 5.496) 10.058 9.985 ( -7.770 5.962 11.441) 15.060 11.067 ( -0.962 -4.378 -7.609) 8.831 11.162 ( 11.893 14.377 -34.139) 38.905 11.429 ( 3.528 -8.084 -9.994) 13.330 11.554 ( -2.272 -7.531 3.873) 8.768 11.808 ( -2.286 -7.650 1.255) 8.082 12.557 ( -7.522 2.338 17.892) 19.549 12.914 ( 2.034 15.349 -0.642) 15.496 13.633 ( -0.308 0.379 0.290) 0.568 13.665 ( 0.476 0.950 -0.725) 1.286 14.661 ( -0.136 2.136 -0.030) 2.140 14.709 ( -0.681 2.581 -0.373) 2.695 14.735 ( 1.214 3.147 1.420) 3.660 15.126 ( -0.451 4.759 -14.398) 15.170 20.934 ( -5.348 -0.130 2.647) 5.969 21.086 ( -1.741 -0.482 -3.258) 3.726 21.231 ( 6.942 1.467 3.095) 7.740 22.010 ( -1.259 5.388 -17.088) 17.962 22.016 ( -2.443 6.728 -20.878) 22.071 22.021 ( 0.572 2.407 -6.239) 6.711 23.412 ( -1.968 -0.761 3.716) 4.273 23.620 ( 0.518 0.154 -1.549) 1.641 24.175 ( 1.980 -1.596 4.944) 5.560 24.288 ( 3.135 0.772 -1.539) 3.577 24.386 ( -2.395 3.627 0.850) 4.429 24.487 ( 1.317 -2.330 -2.133) 3.422 24.737 ( 2.508 0.845 2.084) 3.369 24.787 ( -0.674 2.769 1.580) 3.258 24.844 ( -1.926 0.162 1.946) 2.742 24.856 ( 0.624 2.725 1.371) 3.113 25.280 ( 0.168 -22.381 37.313) 43.511 26.171 ( -0.036 -11.737 -3.052) 12.128 ======================= Grid point 103 (43/115) ======================= q-point: ( 0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.157 ( 10.811 -0.000 4.299) 11.635 1.312 ( 20.517 -0.000 14.949) 25.386 1.719 ( 1.582 -0.000 -8.839) 8.979 1.794 ( 13.794 -0.000 16.903) 21.817 2.091 ( -0.194 0.000 -13.367) 13.369 2.243 ( -11.968 0.000 -26.613) 29.180 2.654 ( -8.150 0.000 13.996) 16.196 2.857 ( -9.087 0.000 -9.572) 13.198 2.884 ( 8.373 -0.000 4.821) 9.662 2.916 ( 15.623 -0.000 21.018) 26.188 3.140 ( 15.873 -0.000 3.500) 16.254 3.394 ( -7.858 0.000 3.763) 8.713 3.516 ( -8.168 0.000 7.416) 11.032 3.705 ( -1.860 0.000 -5.986) 6.268 3.898 ( 6.347 -0.000 2.863) 6.963 3.947 ( -0.216 0.000 -4.612) 4.617 4.105 ( 1.923 -0.000 -0.847) 2.101 4.108 ( -2.281 0.000 1.437) 2.696 4.195 ( 4.427 -0.000 -4.399) 6.241 4.245 ( -0.055 0.000 6.186) 6.186 4.383 ( -6.221 0.000 1.968) 6.525 4.672 ( -1.724 0.000 -6.317) 6.548 4.770 ( -10.612 0.000 -2.028) 10.804 4.873 ( -19.415 0.000 4.070) 19.836 5.101 ( 5.580 -0.000 -5.723) 7.994 5.121 ( 6.838 -0.000 -4.761) 8.333 5.256 ( 0.913 -0.000 0.396) 0.996 5.287 ( -3.966 0.000 -10.410) 11.140 5.359 ( -3.203 0.000 -5.485) 6.351 5.374 ( 14.236 -0.000 6.530) 15.662 5.741 ( 9.486 -0.000 -2.908) 9.922 5.903 ( -0.857 0.000 2.156) 2.320 6.041 ( 3.901 -0.000 -4.773) 6.164 6.357 ( -12.033 0.000 -12.562) 17.395 6.425 ( -16.871 0.000 13.170) 21.403 6.702 ( 11.131 -0.000 -3.082) 11.549 6.708 ( -3.160 0.000 12.837) 13.220 6.866 ( -7.851 0.000 9.645) 12.437 7.252 ( -16.810 0.000 -4.706) 17.457 7.375 ( -13.424 0.000 -5.951) 14.684 7.607 ( 1.912 -0.000 0.312) 1.937 7.764 ( -11.544 0.000 1.857) 11.692 7.847 ( 5.321 -0.000 -1.889) 5.647 7.880 ( 1.335 -0.000 3.696) 3.930 8.067 ( 10.790 -0.000 -6.858) 12.785 8.283 ( 4.544 -0.000 8.928) 10.018 8.332 ( -1.945 0.000 -1.848) 2.683 8.677 ( -1.503 0.000 3.987) 4.261 8.738 ( -2.123 0.000 -1.683) 2.709 8.741 ( -2.284 0.000 0.673) 2.381 8.873 ( 3.315 -0.000 5.432) 6.364 9.042 ( 2.839 -0.000 0.611) 2.904 9.199 ( 3.725 -0.000 3.946) 5.426 9.253 ( 7.214 -0.000 -4.765) 8.645 9.427 ( -3.940 0.000 -0.388) 3.960 9.661 ( -3.167 0.000 2.827) 4.245 9.682 ( -5.282 0.000 -2.130) 5.695 9.852 ( 10.399 -0.000 7.809) 13.005 10.299 ( 1.549 -0.000 -2.949) 3.331 10.664 ( 6.756 -0.000 -15.706) 17.097 11.034 ( -2.619 0.000 5.721) 6.292 11.316 ( 6.824 -0.000 -25.857) 26.742 11.622 ( -9.756 0.000 7.344) 12.211 11.893 ( -3.000 0.000 0.112) 3.002 12.544 ( 0.017 -0.000 10.177) 10.177 12.940 ( 13.322 -0.000 0.956) 13.356 13.618 ( -0.037 0.000 0.027) 0.046 13.681 ( 1.478 -0.000 -0.470) 1.551 14.702 ( 2.549 -0.000 0.164) 2.554 14.761 ( 3.552 -0.000 1.228) 3.758 14.812 ( 5.320 -0.000 0.862) 5.390 14.975 ( 5.043 -0.000 -8.193) 9.620 20.997 ( -2.489 0.000 3.626) 4.398 21.148 ( -2.284 0.000 -4.555) 5.095 21.288 ( 12.883 -0.000 -17.440) 21.682 21.485 ( 5.949 -0.000 5.303) 7.969 22.012 ( -0.148 0.000 -0.131) 0.198 22.021 ( -0.160 0.000 0.232) 0.282 23.371 ( -3.554 0.000 1.985) 4.071 23.633 ( 1.799 -0.000 -3.189) 3.662 24.111 ( -4.140 0.000 4.704) 6.266 24.158 ( -0.924 0.000 -3.936) 4.043 24.539 ( -2.457 0.000 -4.748) 5.346 24.552 ( 9.496 -0.000 1.044) 9.553 24.736 ( -0.283 0.000 -0.919) 0.962 24.833 ( 3.130 -0.000 0.606) 3.188 24.861 ( 3.351 -0.000 -1.008) 3.499 24.914 ( 3.651 -0.000 2.612) 4.489 25.622 ( -23.257 0.000 24.837) 34.027 26.009 ( -15.807 0.000 -7.536) 17.511 ======================= Grid point 104 (44/115) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 11.420 -15.732 -0.691) 19.452 1.620 ( 7.624 2.551 -3.829) 8.905 1.643 ( 17.948 -5.271 3.026) 18.949 1.928 ( -0.855 0.075 -5.060) 5.132 1.970 ( 6.317 5.443 6.032) 10.292 2.240 ( -6.941 -11.509 -15.148) 20.251 2.651 ( -3.751 -0.776 6.168) 7.260 2.690 ( -9.597 1.054 -2.527) 9.980 2.896 ( 4.992 4.845 -3.992) 8.020 3.102 ( 6.190 -2.565 -3.243) 7.444 3.271 ( -3.771 3.223 10.791) 11.877 3.385 ( 9.182 0.245 18.764) 20.891 3.421 ( -10.570 1.018 -0.518) 10.632 3.597 ( -6.169 7.709 3.446) 10.458 3.888 ( -3.969 2.458 -2.774) 5.430 3.979 ( 11.850 3.146 0.095) 12.261 4.038 ( -3.512 2.230 1.660) 4.479 4.128 ( 1.078 0.133 5.212) 5.324 4.232 ( 2.907 1.375 5.155) 6.076 4.314 ( 6.202 -0.485 -5.736) 8.462 4.417 ( -5.868 -9.252 6.498) 12.737 4.637 ( -4.688 -0.544 -8.893) 10.067 4.718 ( -11.493 -1.279 4.498) 12.408 4.769 ( 1.658 -8.586 -3.434) 9.395 5.090 ( -0.476 5.544 -2.601) 6.143 5.127 ( 1.260 4.095 -11.131) 11.928 5.206 ( 1.672 -1.277 -3.700) 4.256 5.286 ( -0.063 -0.544 -0.667) 0.863 5.394 ( -0.449 -7.678 -5.000) 9.174 5.490 ( 7.515 -0.024 2.433) 7.899 5.735 ( 7.147 7.652 -3.941) 11.188 5.858 ( -0.144 5.577 5.840) 8.077 5.990 ( 1.641 5.120 -8.568) 10.116 6.243 ( -13.585 -0.586 -1.708) 13.705 6.358 ( -8.106 -2.137 6.052) 10.339 6.594 ( -5.283 4.426 7.706) 10.339 6.826 ( 6.047 -2.070 1.986) 6.693 6.888 ( -2.000 0.607 5.646) 6.021 7.091 ( -8.711 1.303 -3.819) 9.600 7.177 ( -8.449 4.401 -5.167) 10.838 7.624 ( -4.740 -1.790 -5.237) 7.287 7.634 ( -7.734 3.223 1.166) 8.460 7.905 ( 3.364 -1.059 3.878) 5.242 7.959 ( 2.356 -4.167 0.676) 4.835 8.167 ( 12.065 -2.607 -6.444) 13.925 8.250 ( 2.922 8.190 2.912) 9.170 8.372 ( -1.565 -6.014 2.786) 6.810 8.616 ( -0.988 5.436 -0.449) 5.543 8.665 ( -0.842 1.614 3.495) 3.941 8.781 ( -3.229 -1.814 -3.089) 4.822 8.930 ( 4.024 0.720 7.275) 8.345 9.098 ( 0.790 -2.912 1.408) 3.330 9.272 ( 1.962 -3.181 2.449) 4.469 9.312 ( 4.008 -2.929 -3.534) 6.094 9.437 ( -3.344 -4.343 -1.165) 5.604 9.599 ( -4.943 1.918 0.708) 5.349 9.637 ( -3.874 0.033 -0.086) 3.875 9.987 ( 6.459 -1.083 8.097) 10.414 10.252 ( 5.446 4.553 -0.854) 7.150 10.730 ( -1.114 -8.245 -10.519) 13.411 11.016 ( 0.711 2.576 2.880) 3.929 11.291 ( 2.803 0.854 -17.900) 18.138 11.532 ( -5.968 1.420 0.784) 6.185 11.862 ( -0.186 2.747 -2.570) 3.766 12.561 ( -1.220 1.086 12.902) 13.004 13.114 ( 9.306 -6.251 -0.213) 11.213 13.621 ( 0.260 -0.250 0.061) 0.366 13.698 ( 1.690 -0.475 -0.485) 1.821 14.730 ( 2.712 -0.241 0.378) 2.749 14.810 ( 1.859 -1.822 1.116) 2.832 14.862 ( 5.218 0.487 1.503) 5.452 14.989 ( 1.567 -0.664 -5.687) 5.936 20.986 ( -1.713 0.783 6.703) 6.963 21.061 ( -0.038 4.501 -3.147) 5.492 21.394 ( 7.489 -4.619 -16.215) 18.448 21.601 ( 6.496 -4.869 3.826) 8.974 22.009 ( -0.197 0.113 -0.040) 0.231 22.020 ( -0.231 0.014 0.194) 0.302 23.345 ( -3.774 -0.272 1.970) 4.266 23.631 ( 1.688 0.764 -3.179) 3.680 24.057 ( -2.744 2.923 2.476) 4.712 24.186 ( -0.621 -3.735 -0.867) 3.884 24.504 ( -1.786 -0.783 -5.059) 5.422 24.641 ( 8.777 0.586 0.491) 8.810 24.729 ( 0.589 0.222 -1.434) 1.566 24.856 ( 1.144 -0.592 -1.284) 1.819 24.903 ( 2.785 -0.951 1.170) 3.167 24.967 ( 3.419 -1.048 2.949) 4.636 25.452 ( -17.710 6.232 22.663) 29.429 25.783 ( -16.064 4.675 -10.643) 19.829 ======================= Grid point 105 (45/115) ======================= q-point: ( 0.44 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( 7.249 8.611 2.605) 11.554 1.700 ( 8.046 -5.061 -7.790) 12.289 1.826 ( 1.655 -8.682 -2.382) 9.154 2.047 ( 11.404 -10.325 10.805) 18.799 2.096 ( 11.069 -7.698 3.734) 13.990 2.285 ( -11.680 -11.894 -14.966) 22.403 2.528 ( -4.924 1.220 -6.090) 7.927 2.778 ( 1.200 -0.028 7.518) 7.613 2.822 ( 2.282 0.824 -3.788) 4.498 3.146 ( 1.244 3.623 1.718) 4.198 3.188 ( -4.666 1.159 7.903) 9.250 3.290 ( -5.417 3.618 -5.917) 8.800 3.394 ( -1.972 7.264 5.005) 9.039 3.489 ( -1.729 2.962 3.328) 4.779 3.780 ( -0.531 7.234 -1.912) 7.501 3.929 ( -10.770 1.028 3.004) 11.228 4.006 ( 6.146 7.298 0.256) 9.545 4.180 ( -0.215 -1.189 5.148) 5.288 4.202 ( -0.620 2.698 -6.606) 7.162 4.423 ( 2.852 -1.691 3.285) 4.668 4.443 ( -1.770 -6.954 8.780) 11.339 4.671 ( 2.830 -3.082 -7.098) 8.240 4.736 ( 0.085 -1.719 1.825) 2.508 4.897 ( -7.621 6.033 -11.555) 15.099 4.967 ( 6.950 -7.805 1.880) 10.619 5.038 ( 3.664 5.157 1.590) 6.523 5.249 ( 0.589 -3.935 -4.023) 5.658 5.309 ( 3.223 -2.034 0.320) 3.824 5.484 ( 1.378 0.596 2.923) 3.286 5.573 ( -0.371 -8.188 -5.310) 9.766 5.658 ( 4.253 4.601 -4.441) 7.680 5.745 ( -2.758 7.035 3.086) 8.162 5.923 ( 4.089 5.972 -2.085) 7.532 6.053 ( -13.438 4.467 3.708) 14.639 6.426 ( 3.337 -5.091 -1.311) 6.227 6.501 ( -7.104 3.150 2.973) 8.321 6.771 ( -6.731 5.830 0.319) 8.911 6.893 ( -1.600 1.015 4.061) 4.482 7.027 ( 2.238 -1.292 -3.650) 4.472 7.169 ( -0.561 -5.347 2.041) 5.751 7.478 ( -8.559 4.249 0.296) 9.560 7.589 ( -0.578 2.669 -5.195) 5.870 7.946 ( 2.253 0.119 2.061) 3.056 8.017 ( -1.351 -0.507 5.221) 5.417 8.166 ( 2.172 2.578 -0.276) 3.382 8.348 ( 10.159 -5.800 -6.215) 13.246 8.462 ( -4.067 -5.588 1.830) 7.150 8.543 ( 4.023 4.385 1.971) 6.269 8.624 ( -1.145 3.484 1.937) 4.148 8.774 ( -0.493 -1.656 -1.363) 2.200 8.979 ( 1.280 -0.862 6.370) 6.554 9.129 ( -1.049 -0.939 -1.489) 2.049 9.315 ( -0.999 -1.060 2.149) 2.596 9.368 ( 0.650 -0.937 -3.896) 4.059 9.458 ( -4.142 -3.607 -3.407) 6.463 9.567 ( -1.317 -0.694 2.879) 3.241 9.624 ( 0.937 -0.651 0.039) 1.142 10.027 ( -0.885 0.579 3.781) 3.926 10.282 ( 5.222 -0.119 2.280) 5.699 10.828 ( -2.014 -8.796 -3.318) 9.614 10.994 ( 5.051 3.657 -1.276) 6.365 11.200 ( -1.964 4.724 -5.273) 7.347 11.498 ( -3.589 -3.224 -7.152) 8.627 11.775 ( 3.679 6.774 -8.691) 11.617 12.588 ( -4.101 -0.628 17.068) 17.565 13.275 ( 5.457 -5.064 -1.960) 7.698 13.631 ( 0.428 -0.474 0.341) 0.723 13.722 ( 1.558 -0.602 -0.506) 1.745 14.756 ( 2.001 0.199 0.462) 2.063 14.842 ( 0.033 -0.345 0.348) 0.491 14.909 ( 3.861 -0.830 0.538) 3.985 14.985 ( -0.160 0.169 -2.071) 2.084 20.993 ( -0.839 0.628 9.905) 9.960 20.999 ( -0.435 2.043 -0.826) 2.246 21.437 ( 4.917 -0.294 -13.413) 14.289 21.777 ( 7.117 -7.929 -0.857) 10.689 22.006 ( -0.268 -0.064 0.038) 0.278 22.018 ( -0.279 -0.124 -0.038) 0.308 23.327 ( -3.686 -0.935 2.538) 4.572 23.622 ( 1.377 0.845 -2.272) 2.788 23.998 ( -2.129 2.781 3.902) 5.244 24.240 ( -0.076 -3.489 -0.919) 3.609 24.491 ( -1.527 -1.815 -6.347) 6.776 24.699 ( 8.178 2.383 1.325) 8.620 24.731 ( 2.174 0.385 -2.526) 3.355 24.864 ( -0.903 -0.661 -1.017) 1.512 24.939 ( 0.698 -0.812 1.684) 1.996 25.014 ( 1.248 0.387 3.068) 3.334 25.282 ( -11.823 5.972 17.535) 21.975 25.526 ( -11.451 4.273 -11.603) 16.852 ======================= Grid point 106 (46/115) ======================= q-point: ( 0.56 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 1.659 16.856 0.749) 16.955 1.872 ( 4.621 -1.629 3.810) 6.206 2.049 ( 7.511 -13.729 -2.174) 15.800 2.304 ( 2.138 -8.495 7.729) 11.682 2.340 ( -7.983 -11.664 6.717) 15.649 2.351 ( 2.847 -9.186 -6.019) 11.345 2.517 ( 2.246 -3.266 -2.023) 4.450 2.674 ( 5.316 8.246 -11.265) 14.939 2.909 ( -4.700 -4.690 2.814) 7.211 3.067 ( -5.119 -0.376 -4.550) 6.859 3.156 ( -1.800 4.371 -2.113) 5.178 3.228 ( 9.683 3.305 2.194) 10.464 3.317 ( -0.654 4.716 4.427) 6.501 3.408 ( 0.293 2.205 -4.893) 5.375 3.667 ( -0.340 4.187 -1.066) 4.334 3.798 ( -5.406 5.642 1.609) 7.977 3.911 ( -6.995 1.062 -0.672) 7.107 4.116 ( -2.129 4.572 -5.813) 7.696 4.207 ( -0.410 -1.402 0.328) 1.497 4.478 ( -0.113 1.371 3.314) 3.588 4.551 ( 2.225 1.326 14.498) 14.728 4.601 ( -5.597 8.325 -7.074) 12.275 4.691 ( 0.624 -1.419 0.495) 1.627 4.820 ( 3.369 -1.040 -8.629) 9.321 5.045 ( 5.098 -0.952 -0.156) 5.189 5.124 ( 6.795 1.131 3.442) 7.700 5.328 ( 1.714 -1.037 -0.132) 2.008 5.385 ( -2.995 -7.152 6.219) 9.940 5.504 ( 1.848 1.546 -0.951) 2.590 5.567 ( 3.769 3.977 2.314) 5.948 5.649 ( -2.412 0.224 -2.455) 3.449 5.713 ( -4.266 -4.065 -2.336) 6.338 5.855 ( -0.025 -2.126 -1.224) 2.453 5.944 ( -2.235 0.246 -1.726) 2.835 6.386 ( -1.598 5.604 0.997) 5.912 6.531 ( 2.245 -3.939 -3.996) 6.043 6.638 ( -4.383 2.856 1.799) 5.532 6.891 ( -4.582 -1.306 11.757) 12.686 7.045 ( 5.792 1.292 -12.532) 13.866 7.260 ( -5.059 -5.575 3.414) 8.266 7.364 ( -4.460 0.769 -2.246) 5.052 7.525 ( 1.736 4.221 3.854) 5.973 7.944 ( -0.030 3.877 4.337) 5.817 8.040 ( -1.296 -3.451 4.238) 5.617 8.173 ( 1.872 -0.486 -1.432) 2.407 8.419 ( -0.405 -0.525 -5.875) 5.912 8.491 ( 3.308 0.545 1.575) 3.704 8.547 ( -1.253 1.216 8.452) 8.631 8.614 ( 5.072 -0.235 -4.501) 6.786 8.798 ( -2.609 -3.042 -0.055) 4.008 9.020 ( -2.318 -1.565 2.106) 3.502 9.125 ( 1.546 -1.546 -2.808) 3.559 9.331 ( 0.433 0.198 3.523) 3.555 9.348 ( 1.491 1.697 -2.627) 3.465 9.456 ( -4.126 -3.263 -6.368) 8.260 9.584 ( 1.915 0.045 -0.524) 1.986 9.644 ( 1.935 1.434 1.925) 3.083 10.010 ( -5.203 -0.585 2.699) 5.891 10.334 ( 2.558 -0.008 4.099) 4.832 10.918 ( -3.587 -4.444 -1.790) 5.985 10.999 ( 5.882 2.215 4.459) 7.706 11.111 ( 1.435 1.311 -6.701) 6.977 11.495 ( -6.118 -4.516 -3.929) 8.560 11.679 ( 8.187 5.828 -17.785) 20.428 12.616 ( -6.490 -0.612 20.397) 21.413 13.359 ( 2.979 -1.594 -3.254) 4.691 13.645 ( 0.340 -0.433 0.768) 0.945 13.738 ( 1.000 0.013 -0.595) 1.164 14.763 ( 1.102 0.817 0.703) 1.541 14.831 ( -0.362 1.137 -0.699) 1.383 14.959 ( 0.687 0.518 -0.559) 1.026 14.969 ( 0.624 -1.448 0.076) 1.579 20.968 ( -4.295 -1.296 -1.428) 4.708 21.023 ( 2.425 1.991 13.814) 14.166 21.412 ( 3.889 2.715 -11.128) 12.097 21.956 ( 5.888 -5.818 -4.267) 9.313 22.006 ( -0.189 -0.152 -0.031) 0.245 22.029 ( 0.736 -3.244 -3.140) 4.574 23.326 ( -3.475 -1.778 3.530) 5.263 23.618 ( 1.250 0.445 -0.784) 1.541 23.962 ( -1.404 1.918 7.857) 8.208 24.283 ( 0.304 -2.117 -1.661) 2.707 24.481 ( -1.746 -1.769 -8.191) 8.560 24.715 ( 3.773 2.909 -2.013) 5.172 24.746 ( 7.056 2.642 1.947) 7.782 24.847 ( -4.206 0.085 0.017) 4.207 24.952 ( -1.568 -0.118 1.249) 2.008 24.978 ( -1.332 3.307 1.794) 3.991 25.143 ( -9.174 5.114 8.093) 13.259 25.434 ( -1.053 -4.507 -5.581) 7.250 ======================= Grid point 107 (47/115) ======================= q-point: (-0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.225 ( 9.365 10.696 11.720) 18.425 1.887 ( 0.762 3.770 2.309) 4.486 2.150 ( -6.346 -3.741 -14.538) 16.298 2.347 ( -5.050 2.955 1.966) 6.172 2.434 ( -9.281 -2.904 -0.936) 9.769 2.544 ( 9.010 5.193 -8.138) 13.205 2.621 ( 3.231 -8.023 -2.255) 8.938 2.643 ( 9.638 -8.132 12.957) 18.080 2.815 ( -8.230 3.665 -11.475) 14.589 3.045 ( 1.281 0.674 -6.498) 6.657 3.075 ( -4.427 0.229 -2.979) 5.341 3.267 ( 6.878 3.497 10.492) 13.024 3.301 ( 3.705 -0.256 -2.151) 4.292 3.471 ( 7.764 -6.286 -4.310) 10.880 3.610 ( -4.844 1.090 -0.232) 4.971 3.770 ( 3.378 -4.506 1.023) 5.724 3.869 ( -4.080 -1.302 4.802) 6.435 3.974 ( -4.720 3.997 -4.187) 7.470 4.238 ( 0.487 -1.819 0.966) 2.116 4.303 ( -4.371 11.322 2.751) 12.444 4.444 ( -4.566 4.555 2.127) 6.792 4.652 ( -1.030 -0.944 10.771) 10.861 4.726 ( 3.630 -1.149 -0.901) 3.912 4.851 ( 5.680 -0.343 -4.520) 7.267 5.076 ( 4.699 2.587 -2.409) 5.880 5.120 ( 3.297 4.130 2.054) 5.669 5.328 ( -5.386 4.530 -1.574) 7.212 5.376 ( -2.616 4.420 4.037) 6.533 5.448 ( -1.600 2.732 -2.519) 4.045 5.547 ( 5.705 0.525 6.413) 8.600 5.688 ( -3.825 -5.702 -3.847) 7.870 5.744 ( -3.114 -7.240 0.114) 7.882 5.920 ( -5.979 -3.615 6.885) 9.809 6.048 ( 7.233 -10.861 -12.801) 18.280 6.297 ( -1.140 4.442 -2.294) 5.128 6.558 ( 2.385 0.621 -3.406) 4.204 6.636 ( 1.827 -3.277 3.283) 4.985 6.930 ( 3.551 0.989 6.394) 7.380 7.032 ( -2.676 -4.120 -5.050) 7.046 7.225 ( -4.834 2.288 -3.269) 6.269 7.381 ( -2.922 -6.412 -2.476) 7.469 7.533 ( 1.740 0.973 12.192) 12.354 7.868 ( -1.033 5.478 3.127) 6.391 8.098 ( -4.009 -2.286 7.299) 8.636 8.195 ( 1.493 -0.876 -2.375) 2.939 8.390 ( -2.002 0.756 -2.162) 3.042 8.519 ( 5.762 0.692 0.469) 5.823 8.556 ( -3.290 -1.562 4.503) 5.792 8.625 ( 5.911 2.615 -1.980) 6.761 8.812 ( -6.284 -3.154 -0.354) 7.040 8.995 ( -2.094 0.138 -2.206) 3.044 9.194 ( 3.097 -2.118 -3.479) 5.117 9.281 ( -0.137 4.733 -1.303) 4.911 9.364 ( 2.292 0.418 2.096) 3.134 9.465 ( 0.366 -3.127 -6.250) 6.998 9.590 ( 5.001 2.103 -5.267) 7.561 9.629 ( 0.570 2.234 5.573) 6.031 9.965 ( -7.510 0.022 2.878) 8.042 10.343 ( -0.079 3.305 7.277) 7.993 10.896 ( -3.433 0.170 -1.978) 3.965 11.048 ( 4.324 -1.368 5.131) 6.848 11.169 ( 3.534 -5.802 -5.669) 8.848 11.514 ( -5.106 -5.832 -1.869) 7.973 11.607 ( 9.448 4.571 -24.333) 26.500 12.628 ( -7.713 0.301 22.480) 23.769 13.360 ( 1.654 2.544 -3.467) 4.608 13.653 ( 0.041 0.068 0.885) 0.889 13.733 ( 0.411 1.024 -0.698) 1.306 14.763 ( 0.503 0.524 1.140) 1.352 14.798 ( 0.256 2.367 -0.456) 2.424 14.914 ( -0.977 3.038 -0.402) 3.217 15.030 ( 0.652 -3.928 -1.613) 4.296 20.944 ( -5.749 -1.735 0.084) 6.005 21.062 ( 1.599 1.587 11.611) 11.827 21.361 ( 5.177 4.099 -7.697) 10.142 22.003 ( 0.427 -0.304 -0.095) 0.533 22.007 ( -0.140 -0.196 0.080) 0.254 22.134 ( 4.594 -7.101 -17.555) 19.486 23.342 ( -3.308 -2.225 4.727) 6.184 23.625 ( 1.161 0.125 0.154) 1.178 23.978 ( 0.039 -0.417 13.646) 13.652 24.302 ( 0.980 -0.522 -2.045) 2.327 24.454 ( -2.664 -1.268 -9.215) 9.676 24.660 ( 0.891 5.461 -4.602) 7.197 24.771 ( 1.937 2.146 2.910) 4.102 24.791 ( -1.313 1.580 3.835) 4.351 24.910 ( -1.049 2.002 1.608) 2.773 24.967 ( 0.342 0.274 0.263) 0.511 25.036 ( -4.956 2.625 6.503) 8.587 25.551 ( 1.741 -10.200 -4.274) 11.196 ======================= Grid point 108 (48/115) ======================= q-point: (-0.22 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 17.538 1.100 17.080) 24.506 1.753 ( -2.473 13.447 5.071) 14.583 2.009 ( -0.559 15.405 -13.449) 20.457 2.181 ( -6.643 5.222 -15.220) 17.408 2.334 ( -5.346 -4.379 -6.676) 9.609 2.434 ( 7.609 12.190 -10.583) 17.847 2.633 ( -8.735 -5.132 -4.857) 11.235 2.810 ( 5.626 -0.737 -6.848) 8.894 2.902 ( -1.983 2.650 -7.767) 8.443 2.939 ( 3.553 -4.488 12.176) 13.455 3.127 ( -0.374 -2.838 7.706) 8.220 3.280 ( 3.545 3.427 11.169) 12.209 3.334 ( -2.463 1.629 -1.317) 3.233 3.551 ( -3.721 -4.263 -1.103) 5.765 3.671 ( 0.411 -9.499 -3.244) 10.046 3.799 ( -3.985 0.315 0.901) 4.098 3.907 ( 4.756 -0.986 2.427) 5.430 4.044 ( 3.114 -9.672 1.792) 10.317 4.191 ( 1.824 -0.114 2.445) 3.052 4.251 ( 1.733 0.511 3.599) 4.027 4.425 ( -1.557 -5.263 3.897) 6.731 4.570 ( -6.698 6.725 6.559) 11.538 4.793 ( 4.640 0.502 1.042) 4.782 4.863 ( 3.171 3.441 -6.019) 7.624 5.052 ( 6.605 5.618 5.287) 10.156 5.145 ( 3.907 -0.951 2.382) 4.673 5.220 ( -1.358 4.512 5.834) 7.499 5.258 ( -4.417 -1.723 -6.474) 8.025 5.379 ( -0.965 2.786 -3.116) 4.290 5.651 ( -5.341 -0.138 -4.299) 6.858 5.691 ( 1.908 -3.726 0.943) 4.291 5.831 ( -4.132 -4.937 0.682) 6.474 5.959 ( -2.754 -4.957 5.338) 7.788 6.134 ( -4.438 4.049 -6.425) 8.796 6.239 ( 2.096 -7.043 -9.835) 12.277 6.562 ( 1.787 1.716 2.289) 3.373 6.756 ( 4.098 -4.506 -7.208) 9.436 6.959 ( 5.147 -1.493 -5.415) 7.618 7.080 ( -2.707 -1.056 1.482) 3.261 7.205 ( 0.423 -7.263 12.178) 14.186 7.457 ( -4.014 -7.722 -5.057) 10.066 7.583 ( 1.495 0.298 11.282) 11.385 7.795 ( -0.662 3.500 2.526) 4.367 8.074 ( -6.088 2.202 8.611) 10.773 8.188 ( 0.527 2.264 -4.854) 5.382 8.337 ( -3.218 2.305 0.801) 4.039 8.542 ( -3.857 -0.030 -0.715) 3.922 8.588 ( 3.521 -2.979 1.023) 4.724 8.666 ( 2.980 0.451 3.676) 4.753 8.784 ( -0.083 -0.602 -3.948) 3.995 8.995 ( -0.366 -1.967 -1.908) 2.765 9.122 ( -0.208 6.263 -9.257) 11.179 9.221 ( -1.746 3.263 3.061) 4.803 9.400 ( 4.372 1.701 2.657) 5.391 9.480 ( 0.217 -0.895 -5.199) 5.280 9.574 ( 5.619 2.625 -5.110) 8.036 9.674 ( 4.889 -1.928 4.968) 7.232 9.889 ( -8.870 1.565 3.960) 9.839 10.271 ( -2.064 8.051 9.814) 12.860 10.879 ( -4.365 -4.037 -2.750) 6.550 11.175 ( 10.151 -4.450 0.273) 11.087 11.276 ( -1.980 -7.634 0.096) 7.887 11.502 ( 4.070 3.986 -26.307) 26.916 11.588 ( 1.393 -4.893 -4.692) 6.921 12.622 ( -7.951 1.317 22.699) 24.087 13.286 ( 1.538 6.981 -2.629) 7.616 13.650 ( -0.197 0.547 0.624) 0.853 13.712 ( 0.296 1.588 -0.744) 1.778 14.738 ( -1.766 1.936 0.129) 2.624 14.782 ( 2.914 1.962 1.366) 3.770 14.850 ( -0.215 3.697 -0.151) 3.706 15.086 ( -0.724 -4.035 -4.606) 6.166 20.916 ( -6.179 -1.310 1.505) 6.493 21.073 ( -0.954 0.969 4.574) 4.772 21.339 ( 7.992 4.058 -1.396) 9.071 22.006 ( 0.010 -0.100 0.068) 0.122 22.011 ( -0.433 -0.461 -0.310) 0.705 22.163 ( 2.626 -1.815 -28.621) 28.799 23.366 ( -3.000 -1.997 5.792) 6.822 23.630 ( 0.518 0.383 -0.056) 0.647 24.073 ( 1.672 -3.462 14.327) 14.834 24.309 ( 1.590 0.311 -2.105) 2.656 24.419 ( -2.299 -1.597 -5.968) 6.592 24.542 ( -2.523 5.381 -4.293) 7.332 24.755 ( -2.548 -0.356 6.592) 7.076 24.806 ( 2.710 1.206 4.629) 5.498 24.880 ( -0.393 2.046 2.100) 2.958 24.952 ( 2.344 2.999 1.430) 4.066 25.019 ( -1.611 -1.239 6.889) 7.183 25.738 ( 0.474 -13.135 -5.106) 14.100 ======================= Grid point 109 (49/115) ======================= q-point: (-0.11 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 6.080 18.643 7.198) 20.888 1.572 ( 9.458 21.717 -2.997) 23.876 1.689 ( 5.044 3.694 8.672) 10.691 2.047 ( -0.388 5.078 -21.061) 21.668 2.281 ( 3.171 5.662 -6.168) 8.953 2.390 ( -0.463 -6.488 -2.597) 7.003 2.580 ( -5.047 2.056 -15.300) 16.242 2.768 ( -5.845 -2.563 3.316) 7.192 2.868 ( 5.363 14.301 17.559) 23.272 2.957 ( 5.439 4.144 -0.489) 6.855 3.112 ( -8.531 3.184 -2.559) 9.458 3.283 ( -1.080 -5.075 5.294) 7.413 3.386 ( 3.162 -6.322 8.409) 10.985 3.603 ( -1.275 -3.067 -6.469) 7.272 3.734 ( -13.052 -7.970 -5.702) 16.321 3.841 ( 2.556 -6.143 -1.432) 6.806 3.994 ( 6.628 -1.086 2.947) 7.335 4.115 ( 1.705 1.107 -0.063) 2.034 4.215 ( -3.914 -4.956 0.673) 6.351 4.407 ( -6.238 6.080 4.060) 9.611 4.442 ( 4.216 -8.094 1.840) 9.310 4.602 ( 6.987 -9.298 7.562) 13.873 4.751 ( 1.654 5.256 1.314) 5.665 4.869 ( 1.915 -3.388 -0.823) 3.978 5.074 ( 3.061 0.870 5.896) 6.700 5.144 ( 3.535 1.956 1.736) 4.397 5.193 ( 3.859 1.739 -1.259) 4.416 5.327 ( 2.210 2.049 -2.010) 3.623 5.408 ( -0.966 -13.244 1.883) 13.412 5.527 ( -10.656 0.648 -7.994) 13.336 5.694 ( 3.519 6.212 -2.659) 7.618 5.775 ( -6.963 4.329 2.126) 8.470 5.959 ( -5.400 5.333 -8.692) 11.539 6.118 ( 0.868 -10.674 6.972) 12.778 6.372 ( -1.720 -9.203 -8.142) 12.408 6.526 ( -0.068 3.837 5.082) 6.368 6.772 ( -2.156 -4.447 -9.733) 10.915 6.959 ( 4.144 2.428 -4.288) 6.439 7.246 ( 2.598 -12.967 6.631) 14.794 7.410 ( 1.537 -8.457 10.029) 13.208 7.499 ( -5.248 -4.894 -4.794) 8.630 7.629 ( 3.428 0.859 5.649) 6.663 7.755 ( -2.889 0.459 3.297) 4.407 7.997 ( -4.345 4.471 8.563) 10.592 8.106 ( 1.436 4.690 -7.902) 9.301 8.273 ( -3.351 2.102 0.424) 3.978 8.466 ( -5.204 4.809 -0.054) 7.086 8.630 ( -5.915 -1.385 1.059) 6.167 8.666 ( 1.222 -1.480 1.024) 2.175 8.842 ( 3.749 -1.968 -2.529) 4.932 8.963 ( 5.449 5.404 -2.549) 8.086 9.052 ( -1.323 1.666 -4.413) 4.899 9.201 ( 2.496 -1.716 3.074) 4.316 9.369 ( 3.642 5.848 2.222) 7.239 9.502 ( 1.723 -1.645 -2.024) 3.126 9.583 ( 4.506 0.635 -4.201) 6.193 9.773 ( -3.311 1.478 2.963) 4.683 9.788 ( 0.613 -1.130 4.769) 4.939 10.122 ( -3.496 11.476 10.792) 16.136 10.918 ( -3.981 -6.685 -4.256) 8.869 11.332 ( 6.364 -4.400 -13.553) 15.606 11.338 ( 2.523 6.870 -26.055) 27.063 11.412 ( 2.040 -8.108 9.264) 12.479 11.670 ( -0.685 -6.364 -3.710) 7.398 12.594 ( -7.825 2.553 20.240) 21.849 13.154 ( 3.328 10.868 -1.168) 11.426 13.639 ( -0.258 0.612 0.273) 0.718 13.688 ( 0.631 1.416 -0.680) 1.693 14.695 ( -0.334 1.978 0.677) 2.117 14.758 ( 1.055 3.430 -0.843) 3.686 14.813 ( 2.752 2.955 2.269) 4.632 15.099 ( -1.363 -1.284 -8.736) 8.934 20.886 ( -4.982 -1.069 1.706) 5.374 21.060 ( -0.985 0.026 0.355) 1.048 21.357 ( 7.684 3.618 2.419) 8.831 21.992 ( -1.533 1.987 -15.199) 15.405 22.009 ( -0.062 -0.181 0.059) 0.201 22.048 ( 2.088 4.076 -19.602) 20.130 23.389 ( -2.515 -1.391 5.386) 6.105 23.623 ( -0.081 0.436 -0.126) 0.461 24.161 ( -1.418 -1.848 2.186) 3.194 24.310 ( 2.298 -0.152 -2.830) 3.649 24.420 ( -3.224 3.813 -2.260) 5.481 24.462 ( 2.755 -3.061 2.276) 4.706 24.767 ( -1.052 0.282 5.354) 5.464 24.829 ( -0.377 -0.840 2.955) 3.095 24.849 ( 0.905 2.879 2.351) 3.826 24.929 ( 2.803 3.488 -0.013) 4.474 25.122 ( -2.012 -9.172 21.506) 23.467 25.931 ( -2.642 -13.757 -5.444) 15.029 ======================= Grid point 113 (50/115) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.429 ( 14.588 -0.000 4.325) 15.216 1.683 ( 5.557 -0.000 -6.072) 8.231 1.777 ( 13.501 -0.000 -0.188) 13.503 1.794 ( -4.277 0.000 -20.126) 20.576 2.128 ( 13.385 -0.000 -1.483) 13.467 2.163 ( -0.172 0.000 15.084) 15.085 2.608 ( -5.221 0.000 -10.254) 11.507 2.642 ( -3.139 0.000 14.263) 14.604 2.884 ( -3.701 0.000 -14.226) 14.700 3.105 ( 1.300 -0.000 4.390) 4.579 3.265 ( -6.943 0.000 0.936) 7.006 3.324 ( -13.252 0.000 8.755) 15.883 3.528 ( 3.405 -0.000 4.729) 5.827 3.637 ( -3.266 0.000 3.698) 4.934 3.827 ( -5.260 0.000 3.839) 6.512 4.088 ( 1.902 -0.000 -8.572) 8.781 4.108 ( -2.121 0.000 13.168) 13.338 4.178 ( 6.621 -0.000 4.388) 7.943 4.248 ( 0.834 -0.000 8.172) 8.214 4.339 ( 2.669 -0.000 6.971) 7.465 4.395 ( 5.511 -0.000 -4.034) 6.830 4.576 ( -3.473 0.000 -4.639) 5.795 4.578 ( -5.766 0.000 -2.225) 6.180 4.691 ( 4.738 -0.000 -1.206) 4.889 5.129 ( -2.729 0.000 -5.219) 5.889 5.168 ( -1.785 0.000 -10.415) 10.566 5.217 ( -0.935 0.000 -4.553) 4.648 5.224 ( 9.326 -0.000 -8.559) 12.658 5.306 ( 2.050 -0.000 2.197) 3.005 5.603 ( 4.737 -0.000 1.699) 5.033 5.858 ( 6.427 -0.000 -6.709) 9.290 5.905 ( -2.854 0.000 4.385) 5.232 5.958 ( -2.946 0.000 -12.019) 12.375 6.185 ( -15.157 0.000 9.714) 18.003 6.231 ( 1.518 -0.000 1.848) 2.391 6.604 ( -16.161 0.000 19.281) 25.158 6.821 ( -3.183 0.000 0.140) 3.186 6.919 ( 4.211 -0.000 2.176) 4.740 7.031 ( -1.504 0.000 -7.966) 8.107 7.168 ( 1.485 -0.000 -6.091) 6.269 7.510 ( -10.630 0.000 -2.282) 10.872 7.600 ( -1.766 0.000 -5.612) 5.883 7.942 ( 2.523 -0.000 3.032) 3.945 7.971 ( 5.947 -0.000 3.038) 6.678 8.220 ( 7.926 -0.000 -8.443) 11.581 8.286 ( -2.707 0.000 0.979) 2.878 8.356 ( -2.156 0.000 3.923) 4.477 8.645 ( -1.851 0.000 -3.137) 3.642 8.711 ( 0.047 -0.000 1.124) 1.125 8.712 ( -0.274 0.000 6.264) 6.270 8.995 ( 3.402 -0.000 2.165) 4.033 9.110 ( 3.006 -0.000 3.907) 4.930 9.252 ( -1.712 0.000 4.007) 4.358 9.326 ( 4.590 -0.000 -5.962) 7.525 9.356 ( -2.134 0.000 -1.432) 2.570 9.581 ( -4.834 0.000 1.584) 5.087 9.591 ( -3.543 0.000 0.614) 3.596 10.058 ( 2.467 -0.000 7.175) 7.587 10.334 ( 3.983 -0.000 -0.460) 4.010 10.617 ( 0.398 -0.000 -7.669) 7.679 11.059 ( 0.765 -0.000 5.909) 5.958 11.266 ( 5.252 -0.000 -21.559) 22.189 11.480 ( -9.805 0.000 4.630) 10.843 11.884 ( 3.211 -0.000 -4.712) 5.702 12.608 ( -1.660 0.000 11.888) 12.004 13.142 ( 8.009 -0.000 -0.989) 8.070 13.623 ( 0.495 -0.000 0.316) 0.587 13.708 ( 1.678 -0.000 -0.527) 1.758 14.759 ( 2.926 -0.000 1.015) 3.097 14.814 ( 1.404 -0.000 0.629) 1.539 14.922 ( 4.145 -0.000 2.510) 4.846 14.974 ( 0.659 -0.000 -4.967) 5.010 20.968 ( -3.568 0.000 1.937) 4.060 21.130 ( 1.188 -0.000 4.864) 5.007 21.348 ( 7.464 -0.000 -18.178) 19.650 21.661 ( 7.373 -0.000 9.541) 12.058 22.008 ( -0.128 0.000 -0.127) 0.180 22.018 ( -0.334 0.000 0.368) 0.496 23.313 ( -3.753 0.000 1.404) 4.007 23.642 ( 1.890 -0.000 -4.356) 4.749 24.081 ( -2.559 0.000 3.777) 4.562 24.140 ( 0.696 -0.000 -0.770) 1.038 24.450 ( -2.251 0.000 -7.731) 8.052 24.730 ( 1.877 -0.000 -0.787) 2.035 24.732 ( 6.718 -0.000 0.898) 6.778 24.856 ( 0.854 -0.000 -2.275) 2.430 24.926 ( 2.555 -0.000 0.722) 2.655 25.006 ( 4.130 -0.000 3.860) 5.653 25.410 ( -16.853 0.000 19.843) 26.034 25.622 ( -16.435 0.000 -12.629) 20.727 ======================= Grid point 114 (51/115) ======================= q-point: ( 0.44 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.639 ( 10.411 -5.128 -4.563) 12.470 1.717 ( 8.540 -5.732 2.202) 10.518 1.826 ( -2.471 -8.000 -9.988) 13.033 1.896 ( 7.352 -0.862 7.497) 10.535 2.161 ( -3.857 1.661 11.941) 12.658 2.241 ( 18.964 3.519 -5.205) 19.978 2.503 ( -0.821 2.632 -5.286) 5.962 2.699 ( -5.100 -6.103 4.411) 9.095 2.846 ( -1.672 -1.161 -8.632) 8.868 3.127 ( -1.583 -2.372 1.942) 3.450 3.172 ( -8.746 2.729 4.175) 10.068 3.247 ( -7.528 0.575 4.568) 8.824 3.474 ( -3.475 3.610 -3.423) 6.069 3.573 ( -3.329 5.250 8.600) 10.612 3.793 ( -9.715 0.304 -1.334) 9.810 3.931 ( -4.755 7.285 -1.039) 8.762 4.158 ( 3.650 3.673 1.249) 5.327 4.228 ( 0.020 4.922 5.491) 7.374 4.250 ( 0.624 1.435 -1.049) 1.884 4.376 ( 3.393 -1.038 7.795) 8.564 4.420 ( 0.603 -4.537 4.091) 6.139 4.597 ( 4.981 -4.501 -11.009) 12.895 4.648 ( 1.037 -6.017 2.247) 6.505 4.865 ( 6.552 -10.984 1.126) 12.839 4.992 ( 1.567 9.406 -7.766) 12.298 5.092 ( 0.741 1.252 -7.166) 7.312 5.220 ( 1.119 -0.691 -1.103) 1.716 5.337 ( 4.614 -1.409 1.464) 5.041 5.382 ( 3.707 -7.155 -3.496) 8.784 5.570 ( -0.927 4.209 2.037) 4.767 5.796 ( -4.300 5.603 -2.062) 7.358 5.839 ( 3.441 5.564 -9.211) 11.298 5.983 ( 3.186 -1.744 0.391) 3.653 5.996 ( -12.585 5.701 4.849) 14.642 6.360 ( 0.927 -7.730 4.014) 8.759 6.481 ( -11.657 4.182 13.730) 18.490 6.772 ( -6.286 -0.132 1.609) 6.490 6.907 ( -4.416 6.976 -0.174) 8.258 7.006 ( 0.740 -4.993 0.426) 5.065 7.197 ( 12.410 3.014 -9.878) 16.145 7.421 ( -8.708 -0.361 -0.399) 8.725 7.583 ( 1.921 -0.662 -8.044) 8.296 7.971 ( 1.757 0.324 1.505) 2.336 8.038 ( 3.293 -0.115 4.604) 5.662 8.221 ( -3.140 2.478 -1.298) 4.205 8.302 ( -2.492 -4.802 -0.427) 5.427 8.346 ( 2.693 -3.119 -2.770) 4.965 8.627 ( 2.477 1.147 -2.437) 3.659 8.692 ( 0.782 3.296 4.646) 5.750 8.745 ( -1.046 -1.219 3.532) 3.880 9.010 ( 0.547 0.857 0.892) 1.353 9.132 ( 1.807 1.590 0.924) 2.578 9.262 ( -4.280 -3.341 1.879) 5.745 9.340 ( 1.855 -1.078 -1.644) 2.703 9.383 ( -0.310 -2.214 -3.618) 4.253 9.542 ( -3.317 -0.656 5.544) 6.494 9.594 ( -0.558 -2.219 -0.976) 2.487 10.062 ( -1.455 2.255 3.684) 4.558 10.349 ( 3.660 1.675 1.735) 4.383 10.673 ( 0.841 -6.852 -2.958) 7.511 11.082 ( 4.206 1.200 1.321) 4.569 11.228 ( 2.051 1.913 -11.108) 11.456 11.399 ( -7.821 -0.014 -0.972) 7.881 11.871 ( 4.749 3.774 -8.431) 10.386 12.617 ( -3.394 1.165 14.534) 14.970 13.237 ( 4.725 -4.199 -2.358) 6.747 13.632 ( 0.595 -0.225 0.703) 0.948 13.725 ( 1.363 -0.439 -0.565) 1.539 14.785 ( 2.178 0.456 1.192) 2.524 14.831 ( 0.137 -0.711 0.134) 0.736 14.948 ( 2.405 0.772 0.158) 2.531 14.974 ( 0.317 -0.553 -1.197) 1.356 20.942 ( -3.710 -0.432 -0.531) 3.773 21.128 ( 2.595 4.216 11.202) 12.247 21.390 ( 4.643 -3.850 -16.633) 17.693 21.785 ( 8.066 -2.183 9.162) 12.401 22.005 ( -0.197 0.193 0.020) 0.277 22.016 ( -0.273 0.044 0.338) 0.437 23.288 ( -3.431 -0.540 1.598) 3.823 23.638 ( 1.694 0.535 -4.205) 4.565 24.041 ( -1.675 2.703 3.788) 4.946 24.184 ( 0.720 -3.297 0.345) 3.392 24.415 ( -1.777 -1.729 -9.595) 9.910 24.737 ( 1.084 -0.345 -0.713) 1.343 24.797 ( 6.097 0.424 0.532) 6.134 24.851 ( -0.050 0.175 -2.260) 2.267 24.946 ( 0.958 0.027 0.627) 1.145 25.050 ( 2.035 0.925 1.863) 2.910 25.300 ( -13.590 3.399 16.413) 21.579 25.425 ( -10.218 1.604 -11.548) 15.503 ======================= Grid point 115 (52/115) ======================= q-point: ( 0.56 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.657 ( 2.463 7.186 -0.666) 7.625 1.833 ( -0.256 -2.519 -4.008) 4.740 1.962 ( -1.884 -7.156 7.023) 10.202 2.095 ( 12.635 -8.208 8.980) 17.540 2.207 ( 0.990 -7.640 9.984) 12.611 2.348 ( 8.015 -3.180 -3.278) 9.225 2.529 ( 7.782 -0.730 -0.048) 7.816 2.726 ( -6.539 -4.000 -11.476) 13.800 2.788 ( -3.062 2.454 2.673) 4.748 3.043 ( -4.352 3.258 -6.282) 8.307 3.180 ( -5.816 -6.209 3.284) 9.119 3.191 ( -2.807 3.055 -1.922) 4.572 3.408 ( 1.339 2.085 -0.254) 2.491 3.485 ( -0.615 5.970 8.216) 10.174 3.646 ( -10.183 -0.145 -6.258) 11.953 3.824 ( -3.190 2.764 6.218) 7.515 4.023 ( 2.197 11.002 -7.906) 13.725 4.143 ( -2.522 5.613 -2.913) 6.809 4.267 ( 6.169 2.588 2.353) 7.092 4.420 ( -5.332 -1.801 7.660) 9.506 4.548 ( 1.139 -5.003 3.762) 6.362 4.671 ( 2.116 1.853 -8.128) 8.601 4.698 ( -1.450 -7.673 -9.911) 12.618 4.838 ( 6.411 10.209 2.134) 12.242 5.039 ( 4.200 -3.305 -2.310) 5.823 5.184 ( 0.624 -9.674 -3.421) 10.280 5.249 ( 4.549 1.284 6.860) 8.331 5.371 ( 0.299 0.587 2.913) 2.987 5.517 ( -0.013 -1.624 3.114) 3.512 5.566 ( 4.442 -7.467 -3.282) 9.287 5.641 ( -6.274 4.185 0.233) 7.545 5.698 ( 1.738 9.232 -3.674) 10.087 5.901 ( -2.625 -1.838 -5.574) 6.430 5.973 ( -0.266 7.977 6.598) 10.355 6.374 ( -7.829 -0.400 5.394) 9.516 6.506 ( 3.433 -4.118 3.115) 6.201 6.708 ( 0.266 6.543 2.994) 7.200 6.796 ( -7.781 -2.037 8.011) 11.352 7.102 ( -4.550 -7.668 -3.272) 9.498 7.172 ( 9.921 7.166 -12.008) 17.145 7.348 ( -2.683 2.600 -3.168) 4.898 7.588 ( 2.421 0.563 -1.670) 2.994 7.979 ( -0.635 -0.655 1.686) 1.917 8.049 ( -0.232 2.891 6.418) 7.043 8.168 ( -2.216 -0.735 0.105) 2.337 8.364 ( -0.089 -3.545 -5.356) 6.423 8.438 ( 1.153 -6.095 0.651) 6.237 8.630 ( 1.679 3.472 2.988) 4.879 8.647 ( 1.001 1.722 -2.503) 3.198 8.764 ( -1.170 -0.503 3.512) 3.736 8.997 ( -1.784 0.105 1.081) 2.089 9.122 ( 2.753 0.304 -2.492) 3.726 9.305 ( -2.606 -5.254 0.246) 5.870 9.367 ( 0.346 -0.609 0.626) 0.939 9.374 ( 0.453 0.677 -3.181) 3.284 9.578 ( -0.947 -2.462 5.420) 6.028 9.634 ( 0.260 -2.961 -1.838) 3.495 10.000 ( -3.887 3.251 2.379) 5.598 10.373 ( 2.376 0.113 3.393) 4.144 10.787 ( -0.290 -6.593 0.263) 6.605 11.115 ( 8.912 1.600 -5.009) 10.348 11.165 ( 0.061 4.824 1.214) 4.975 11.339 ( -7.579 -3.522 -6.457) 10.562 11.796 ( 6.652 6.522 -14.079) 16.882 12.623 ( -5.834 0.028 18.615) 19.508 13.326 ( 2.106 -3.810 -3.662) 5.689 13.646 ( 0.460 -0.365 1.167) 1.306 13.740 ( 0.722 -0.406 -0.666) 1.063 14.790 ( 0.814 1.025 1.043) 1.673 14.835 ( -0.297 -0.049 -0.435) 0.529 14.964 ( 1.771 -0.349 -0.363) 1.841 14.972 ( -0.449 0.620 0.068) 0.769 20.908 ( -3.917 -0.315 -0.916) 4.035 21.141 ( 2.099 3.116 15.536) 15.984 21.413 ( 3.372 -1.469 -15.222) 15.660 21.935 ( 8.357 -3.393 3.730) 9.761 22.000 ( -0.376 0.085 0.123) 0.405 22.015 ( 0.086 0.034 0.361) 0.372 23.280 ( -3.180 -1.368 2.867) 4.494 23.633 ( 1.535 0.314 -2.481) 2.935 24.006 ( -1.209 1.842 6.112) 6.497 24.245 ( 1.075 -2.852 0.006) 3.048 24.397 ( -1.563 -2.244 -11.739) 12.053 24.754 ( 2.377 0.064 -1.656) 2.898 24.809 ( -3.387 0.649 -0.211) 3.455 24.857 ( 4.986 1.176 0.356) 5.135 24.946 ( -0.493 0.255 0.312) 0.636 24.990 ( -5.155 2.501 -5.677) 8.066 25.173 ( -9.399 4.505 12.215) 16.058 25.366 ( 2.169 -1.578 -3.257) 4.219 ======================= Grid point 116 (53/115) ======================= q-point: (-0.33 -0.67 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( 9.386 9.370 15.002) 20.025 1.848 ( -1.486 -2.560 -4.413) 5.314 2.019 ( -4.110 -2.759 3.929) 6.320 2.242 ( -7.002 -4.735 1.972) 8.680 2.400 ( 0.688 0.120 1.399) 1.564 2.487 ( 2.894 -6.811 1.748) 7.604 2.614 ( 1.012 -5.731 -1.031) 5.910 2.683 ( 2.519 4.670 0.438) 5.324 2.725 ( -2.434 -4.754 -8.722) 10.227 3.008 ( 6.766 -1.525 -10.442) 12.535 3.050 ( -5.938 4.117 -6.732) 9.876 3.282 ( -0.823 -7.787 5.972) 9.848 3.422 ( 2.777 1.688 7.100) 7.808 3.423 ( -1.012 1.102 -2.498) 2.912 3.640 ( 1.654 -0.221 1.439) 2.203 3.769 ( 0.568 7.058 -3.163) 7.755 3.863 ( -1.698 1.045 3.910) 4.390 4.016 ( -1.101 3.379 -8.161) 8.901 4.266 ( 2.618 3.705 -1.769) 4.870 4.374 ( -1.785 4.403 3.515) 5.910 4.535 ( -0.625 7.007 0.503) 7.053 4.650 ( -3.468 -2.368 -1.345) 4.410 4.768 ( 5.242 2.091 9.381) 10.948 4.823 ( 2.495 -5.374 -8.701) 10.527 5.113 ( 4.912 -1.192 -2.990) 5.873 5.238 ( 2.150 6.738 2.621) 7.542 5.250 ( -8.867 -4.621 0.892) 10.039 5.365 ( -4.451 -1.790 1.144) 4.932 5.492 ( 0.502 3.312 -3.223) 4.649 5.597 ( -3.755 -2.401 1.518) 4.708 5.624 ( -0.133 -0.654 -1.905) 2.018 5.708 ( 3.433 4.358 6.373) 8.449 5.861 ( -2.679 1.698 8.633) 9.198 5.958 ( 9.710 -6.814 -11.242) 16.343 6.315 ( -4.262 2.876 -3.243) 6.079 6.582 ( 0.444 -1.113 5.805) 5.927 6.669 ( 5.509 2.424 5.428) 8.105 6.859 ( -4.788 -7.999 13.038) 16.028 7.047 ( -1.607 4.292 -9.820) 10.837 7.175 ( 0.611 -1.552 -8.622) 8.782 7.275 ( -0.178 0.354 -7.620) 7.630 7.597 ( 0.436 1.019 6.497) 6.591 7.970 ( -0.401 4.125 3.035) 5.136 8.035 ( -3.376 -2.264 6.709) 7.845 8.179 ( -0.306 -1.567 -1.724) 2.350 8.382 ( 0.567 -0.325 -2.854) 2.928 8.518 ( -2.475 -0.733 2.700) 3.736 8.579 ( 0.612 2.442 0.328) 2.539 8.652 ( 1.876 -3.562 -3.070) 5.063 8.768 ( -0.171 1.033 3.705) 3.851 8.974 ( -2.441 0.430 -0.454) 2.520 9.175 ( 3.789 -2.538 -2.788) 5.345 9.319 ( -2.998 0.419 -2.839) 4.149 9.370 ( 0.520 0.382 -0.757) 0.994 9.415 ( 4.404 -3.844 -0.551) 5.872 9.622 ( 2.235 -0.932 1.789) 3.011 9.667 ( 0.006 -1.156 -0.366) 1.212 9.913 ( -6.532 2.122 2.104) 7.184 10.400 ( 0.041 0.531 5.948) 5.972 10.852 ( -2.027 -1.515 0.178) 2.537 11.097 ( 0.240 2.890 7.093) 7.663 11.163 ( 8.852 0.319 -10.570) 13.791 11.345 ( -4.910 -6.880 -4.149) 9.416 11.704 ( 8.407 5.987 -19.525) 22.085 12.635 ( -7.569 -0.311 21.618) 22.906 13.367 ( 0.735 -1.394 -4.153) 4.442 13.658 ( 0.098 -0.132 1.365) 1.375 13.744 ( 0.095 0.197 -0.801) 0.830 14.779 ( -0.303 1.091 0.964) 1.487 14.830 ( 0.813 0.497 -0.100) 0.958 14.945 ( -0.565 1.843 -0.755) 2.071 14.987 ( 0.490 -1.226 -0.451) 1.395 20.876 ( -4.359 -0.613 0.490) 4.429 21.152 ( -0.568 3.424 13.147) 13.597 21.414 ( 4.937 -0.340 -10.890) 11.961 21.996 ( -0.520 -0.175 -0.135) 0.565 22.006 ( 0.335 0.027 -0.150) 0.368 22.070 ( 7.802 -2.255 -5.181) 9.633 23.294 ( -3.025 -2.189 5.202) 6.403 23.639 ( 1.159 0.105 -0.364) 1.220 24.011 ( -0.338 -0.305 9.151) 9.162 24.293 ( 1.664 -1.556 -0.341) 2.303 24.369 ( -2.037 -1.769 -12.279) 12.572 24.703 ( -5.251 4.197 -5.433) 8.643 24.768 ( 0.042 0.784 0.003) 0.785 24.866 ( 0.518 1.845 2.418) 3.085 24.925 ( -2.581 -2.299 -3.410) 4.855 24.945 ( 1.236 1.168 1.909) 2.556 25.086 ( -3.103 3.157 8.444) 9.534 25.439 ( 4.250 -4.114 -2.312) 6.350 ======================= Grid point 117 (54/115) ======================= q-point: (-0.22 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 18.710 6.440 24.218) 31.274 1.858 ( -1.267 -1.991 -4.412) 5.003 1.981 ( -4.214 5.087 0.041) 6.606 2.186 ( -6.215 -0.049 -6.096) 8.705 2.340 ( -1.624 6.892 -2.511) 7.513 2.426 ( -10.861 -3.333 -7.213) 13.457 2.578 ( -4.077 3.198 -8.982) 10.369 2.786 ( 6.309 -6.508 -2.798) 9.486 2.855 ( -3.737 -0.308 -12.666) 13.209 2.934 ( 6.880 -2.759 3.314) 8.120 3.095 ( 6.876 -1.764 -4.040) 8.168 3.373 ( -1.776 -3.925 -3.302) 5.428 3.382 ( 0.526 5.902 1.242) 6.054 3.467 ( 0.968 0.554 7.155) 7.241 3.555 ( -3.618 -1.482 3.505) 5.251 3.811 ( -0.702 -2.685 7.327) 7.835 3.876 ( -3.624 -3.215 -1.832) 5.179 4.047 ( 14.091 -1.966 -1.312) 14.288 4.206 ( -3.000 -0.657 1.227) 3.308 4.316 ( 5.401 7.252 -2.731) 9.446 4.415 ( -1.293 4.364 7.214) 8.530 4.608 ( -5.031 1.869 -1.429) 5.554 4.849 ( 3.063 -0.610 12.788) 13.164 4.892 ( 3.681 -1.917 -8.189) 9.181 5.131 ( -5.315 1.434 4.894) 7.366 5.175 ( 0.459 -0.616 -1.896) 2.045 5.203 ( 0.414 1.381 -3.922) 4.179 5.315 ( -6.220 3.211 3.274) 7.728 5.428 ( 1.094 4.234 -0.072) 4.374 5.555 ( -2.710 4.070 -3.311) 5.905 5.646 ( -5.567 -6.648 1.179) 8.751 5.746 ( 7.334 -2.772 3.163) 8.455 5.884 ( -2.305 -2.843 4.314) 5.657 6.122 ( 5.836 -1.446 -8.397) 10.327 6.178 ( -3.107 1.989 -11.387) 11.970 6.606 ( -1.380 0.230 7.582) 7.710 6.755 ( 7.692 -0.968 0.531) 7.771 6.922 ( -2.417 0.581 -7.938) 8.318 7.040 ( 0.212 -6.198 10.117) 11.867 7.142 ( -1.524 -2.247 0.378) 2.741 7.300 ( -0.410 -5.119 -7.714) 9.267 7.611 ( -1.985 0.018 9.771) 9.971 7.900 ( 1.740 5.754 2.434) 6.486 8.055 ( -5.424 -1.291 7.848) 9.627 8.188 ( -0.055 -0.516 -3.001) 3.045 8.354 ( -1.088 2.130 -2.871) 3.737 8.485 ( -4.249 -0.374 1.448) 4.504 8.570 ( -0.408 -0.738 1.768) 1.959 8.714 ( -3.541 1.052 0.615) 3.745 8.795 ( 9.853 -1.882 -0.344) 10.037 8.958 ( -0.066 -1.382 -1.277) 1.883 9.172 ( -0.782 3.301 -5.453) 6.422 9.268 ( -1.046 2.690 0.394) 2.913 9.392 ( 0.974 -3.246 -1.482) 3.698 9.479 ( 0.301 0.355 -0.672) 0.817 9.648 ( 5.519 2.217 -7.644) 9.685 9.716 ( 5.609 -2.928 5.368) 8.297 9.830 ( -8.346 0.695 2.591) 8.766 10.385 ( -2.053 3.553 8.381) 9.331 10.810 ( -3.478 1.368 -0.052) 3.737 11.138 ( -2.902 -5.205 1.518) 6.150 11.217 ( 8.661 -1.412 -3.749) 9.543 11.411 ( -1.390 -5.359 -4.928) 7.412 11.627 ( 9.720 4.511 -22.076) 24.539 12.640 ( -8.256 0.296 22.643) 24.103 13.356 ( 0.622 1.737 -3.670) 4.108 13.659 ( -0.246 0.422 1.102) 1.205 13.731 ( -0.017 0.887 -0.836) 1.219 14.752 ( -1.401 1.502 0.812) 2.209 14.841 ( 2.956 0.733 0.859) 3.164 14.900 ( -0.132 2.745 -0.710) 2.839 15.008 ( -1.048 -2.282 -2.356) 3.443 20.850 ( -4.554 -0.820 1.989) 5.037 21.113 ( -2.294 3.249 5.888) 7.106 21.444 ( 6.410 0.432 -3.944) 7.539 21.992 ( -0.626 -0.183 -1.597) 1.725 22.006 ( 0.047 0.034 0.005) 0.058 22.116 ( 6.735 0.869 -14.645) 16.143 23.327 ( -2.744 -2.326 7.405) 8.233 23.642 ( 0.122 0.484 0.662) 0.829 24.073 ( 0.534 -2.739 8.228) 8.688 24.298 ( -1.143 -0.393 -7.804) 7.897 24.367 ( 1.313 -2.208 0.069) 2.570 24.561 ( -5.595 3.973 -5.185) 8.601 24.760 ( -0.273 0.377 3.135) 3.169 24.839 ( -2.208 1.327 2.546) 3.622 24.933 ( 0.179 2.263 3.746) 4.380 24.952 ( -0.307 -2.739 -1.721) 3.249 25.074 ( 3.122 1.988 5.575) 6.692 25.550 ( 1.740 -7.485 -4.367) 8.839 ======================= Grid point 118 (55/115) ======================= q-point: (-0.11 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -2.667 14.056 2.648) 14.550 1.795 ( 11.233 5.179 7.168) 14.296 1.960 ( 7.498 -3.096 -0.934) 8.166 2.022 ( 5.219 18.025 -5.887) 19.667 2.279 ( -4.266 -1.572 -3.001) 5.448 2.352 ( -3.947 -2.177 -19.659) 20.169 2.474 ( -4.490 -3.613 1.156) 5.879 2.714 ( 2.695 3.914 -14.398) 15.162 2.921 ( 2.288 -3.039 -2.528) 4.567 3.075 ( -2.953 1.263 4.527) 5.551 3.163 ( 7.448 -2.872 0.539) 8.001 3.269 ( -8.088 4.748 12.817) 15.882 3.419 ( -3.153 -5.563 2.845) 6.999 3.485 ( 1.959 -0.212 0.793) 2.124 3.553 ( -1.015 -1.402 -7.156) 7.362 3.809 ( -0.728 0.882 0.879) 1.442 3.964 ( -1.194 -8.086 2.074) 8.433 4.147 ( 3.765 0.567 4.813) 6.137 4.195 ( 0.317 4.566 -0.371) 4.592 4.393 ( 7.642 -9.665 1.441) 12.405 4.417 ( -1.691 0.514 6.021) 6.275 4.528 ( -0.984 0.187 -0.636) 1.187 4.857 ( 0.065 3.566 2.752) 4.505 4.893 ( 3.089 2.886 -5.149) 6.662 5.099 ( -6.820 -2.652 3.662) 8.183 5.214 ( -5.016 -4.760 2.879) 7.490 5.223 ( 1.122 3.346 2.932) 4.588 5.246 ( 3.408 -3.159 5.516) 7.213 5.395 ( 4.461 2.699 0.496) 5.237 5.434 ( -3.794 4.525 -4.613) 7.493 5.740 ( 0.624 -6.169 -0.676) 6.237 5.791 ( 0.373 4.058 -0.159) 4.079 5.943 ( -5.851 3.197 -6.519) 9.325 5.985 ( -1.954 -5.918 1.397) 6.386 6.250 ( 6.237 -3.857 -11.561) 13.691 6.593 ( -1.755 2.163 4.738) 5.496 6.719 ( 0.647 3.063 -9.868) 10.353 6.955 ( -1.377 -2.303 -6.610) 7.134 7.120 ( 2.920 -7.613 6.312) 10.311 7.301 ( -0.870 -6.885 6.384) 9.430 7.360 ( -2.680 -7.087 3.201) 8.225 7.616 ( -6.795 -0.909 10.448) 12.497 7.844 ( 4.395 5.096 1.066) 6.814 8.046 ( -1.218 0.737 6.361) 6.518 8.159 ( 0.714 2.882 -5.609) 6.346 8.287 ( -3.163 2.683 -0.515) 4.180 8.458 ( -4.300 0.106 -1.070) 4.432 8.570 ( -3.043 0.145 2.573) 3.987 8.671 ( 0.543 0.212 0.184) 0.611 8.851 ( -0.167 1.662 -0.425) 1.723 9.049 ( 8.465 -3.697 -2.638) 9.607 9.082 ( 2.170 4.860 -4.950) 7.268 9.221 ( 0.775 1.489 1.061) 1.986 9.433 ( -3.170 1.569 1.247) 3.750 9.462 ( 0.781 -3.937 -0.277) 4.024 9.626 ( 3.771 2.488 -6.476) 7.896 9.736 ( -8.284 1.888 0.514) 8.512 9.858 ( 9.341 -1.685 5.370) 10.906 10.303 ( -2.333 7.917 9.242) 12.391 10.787 ( -2.897 -2.898 -1.241) 4.282 11.180 ( -5.792 -6.349 -5.578) 10.246 11.325 ( 4.843 -0.880 -7.106) 8.644 11.434 ( 2.447 -2.340 -0.650) 3.448 11.608 ( 8.474 -0.103 -17.313) 19.276 12.627 ( -8.232 1.486 21.485) 23.056 13.302 ( 2.008 4.936 -2.488) 5.881 13.649 ( -0.294 0.740 0.555) 0.971 13.713 ( 0.442 1.168 -0.713) 1.438 14.720 ( -0.724 1.328 1.141) 1.895 14.828 ( 1.818 3.758 -1.360) 4.391 14.883 ( 2.572 1.216 2.567) 3.832 15.021 ( -2.022 -2.574 -5.159) 6.110 20.833 ( -3.735 -0.911 2.846) 4.783 21.069 ( -1.294 1.486 2.639) 3.294 21.473 ( 4.940 1.806 -1.747) 5.543 21.967 ( 0.471 1.732 -9.286) 9.458 22.007 ( 0.018 -0.088 0.084) 0.123 22.075 ( 4.640 3.513 -13.763) 14.943 23.363 ( -2.405 -1.599 7.270) 7.822 23.631 ( -0.779 0.712 0.963) 1.428 24.111 ( -3.391 -1.202 -2.890) 4.615 24.304 ( 2.668 -2.568 -1.416) 3.965 24.432 ( -0.811 0.823 -0.455) 1.242 24.454 ( -0.266 -0.669 2.463) 2.566 24.771 ( -2.249 -0.111 5.036) 5.516 24.819 ( -0.604 -0.772 3.297) 3.439 24.911 ( 0.161 2.183 3.596) 4.210 24.977 ( 0.667 -0.517 -1.558) 1.772 25.108 ( 2.648 0.084 9.448) 9.812 25.677 ( -2.342 -10.604 -6.501) 12.657 ======================= Grid point 123 (56/115) ======================= q-point: ( 0.44 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 1.909 -0.000 -7.745) 7.977 1.717 ( 9.358 -0.000 1.311) 9.450 1.799 ( 14.562 -0.000 8.894) 17.063 2.032 ( 10.277 -0.000 11.248) 15.235 2.139 ( -8.971 0.000 8.798) 12.565 2.419 ( 6.591 -0.000 -9.258) 11.364 2.518 ( -10.649 0.000 -15.797) 19.051 2.579 ( 13.878 -0.000 1.376) 13.946 2.778 ( -3.456 0.000 1.179) 3.651 3.100 ( -11.175 0.000 0.863) 11.208 3.122 ( -2.953 0.000 6.773) 7.389 3.222 ( -4.927 0.000 10.172) 11.302 3.448 ( -0.982 0.000 -9.029) 9.083 3.592 ( -6.968 0.000 6.853) 9.773 3.692 ( -12.687 0.000 -5.988) 14.029 3.949 ( -2.819 0.000 -6.251) 6.858 4.181 ( -7.492 0.000 15.375) 17.104 4.270 ( 6.462 -0.000 -8.958) 11.045 4.322 ( -3.117 0.000 -1.588) 3.498 4.334 ( -1.158 0.000 6.262) 6.368 4.429 ( 2.001 -0.000 7.867) 8.117 4.540 ( -3.052 0.000 -0.065) 3.053 4.724 ( 18.799 -0.000 -12.320) 22.476 4.820 ( 5.542 -0.000 4.698) 7.266 5.037 ( 1.526 -0.000 -12.684) 12.775 5.143 ( 5.415 -0.000 5.474) 7.699 5.222 ( 2.777 -0.000 -0.602) 2.842 5.347 ( 5.989 -0.000 -4.350) 7.402 5.380 ( 2.320 -0.000 4.844) 5.370 5.593 ( -2.470 0.000 -1.494) 2.887 5.764 ( -5.025 0.000 -5.697) 7.596 5.813 ( -7.777 0.000 -3.378) 8.479 6.006 ( 5.024 -0.000 3.809) 6.305 6.045 ( -4.423 0.000 -1.282) 4.605 6.295 ( 1.714 -0.000 6.151) 6.385 6.454 ( -12.626 0.000 14.738) 19.406 6.725 ( -2.739 0.000 -0.210) 2.747 6.935 ( -3.190 0.000 -3.993) 5.111 6.969 ( -0.903 0.000 3.015) 3.147 7.333 ( 15.771 -0.000 -10.610) 19.007 7.347 ( -3.981 0.000 1.337) 4.199 7.569 ( 3.452 -0.000 -8.743) 9.400 7.999 ( 1.449 -0.000 1.151) 1.850 8.084 ( 2.279 -0.000 0.738) 2.395 8.199 ( -8.564 0.000 2.918) 9.048 8.203 ( -0.202 0.000 -5.737) 5.741 8.333 ( -0.047 0.000 0.896) 0.898 8.642 ( 2.281 -0.000 -4.203) 4.783 8.731 ( -2.476 0.000 5.261) 5.814 8.751 ( 0.683 -0.000 4.718) 4.767 9.013 ( -1.107 0.000 -1.327) 1.728 9.183 ( -6.137 0.000 0.045) 6.137 9.184 ( 2.296 -0.000 1.847) 2.947 9.353 ( 2.880 -0.000 -5.924) 6.587 9.356 ( 1.887 -0.000 1.656) 2.510 9.537 ( -3.052 0.000 7.195) 7.816 9.554 ( -0.761 0.000 -0.803) 1.107 10.075 ( -2.798 0.000 2.967) 4.078 10.389 ( 0.400 -0.000 1.183) 1.249 10.642 ( 5.811 -0.000 0.276) 5.817 11.117 ( 1.288 -0.000 0.326) 1.328 11.226 ( 5.247 -0.000 -15.941) 16.782 11.342 ( -7.437 0.000 5.512) 9.256 11.920 ( 5.219 -0.000 -8.777) 10.212 12.643 ( -4.389 0.000 13.681) 14.368 13.225 ( 2.572 -0.000 -2.987) 3.942 13.639 ( 0.521 -0.000 1.078) 1.197 13.729 ( 0.816 -0.000 -0.635) 1.034 14.811 ( 1.076 -0.000 1.439) 1.797 14.826 ( -0.230 0.000 0.139) 0.268 14.961 ( 1.610 -0.000 -2.079) 2.629 14.980 ( 0.399 -0.000 1.417) 1.472 20.909 ( -2.682 0.000 -0.326) 2.702 21.237 ( 1.664 -0.000 14.634) 14.728 21.328 ( 3.788 -0.000 -16.202) 16.639 21.888 ( 8.273 -0.000 12.147) 14.697 22.006 ( 0.024 -0.000 -0.070) 0.074 22.017 ( -0.090 0.000 1.126) 1.130 23.260 ( -2.622 0.000 1.007) 2.809 23.639 ( 1.466 -0.000 -5.472) 5.665 24.060 ( -2.097 0.000 2.240) 3.068 24.170 ( 1.830 -0.000 2.386) 3.007 24.347 ( -1.425 0.000 -11.732) 11.818 24.739 ( 0.543 -0.000 0.215) 0.584 24.839 ( -0.814 0.000 -2.689) 2.809 24.847 ( 3.825 -0.000 0.172) 3.829 24.955 ( 0.368 -0.000 -0.108) 0.384 25.046 ( -5.937 0.000 -6.479) 8.788 25.259 ( -12.344 0.000 13.898) 18.588 25.359 ( 2.470 -0.000 -4.050) 4.743 ======================= Grid point 124 (57/115) ======================= q-point: (-0.44 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.741 -0.143 -4.995) 5.052 1.832 ( 5.778 -1.402 3.016) 6.666 1.946 ( 0.939 2.041 13.742) 13.924 2.147 ( 2.696 -5.443 10.547) 12.171 2.196 ( 10.467 -1.842 6.037) 12.222 2.337 ( 0.372 -3.020 -1.714) 3.493 2.507 ( -6.420 -7.561 -12.540) 15.988 2.672 ( 5.644 5.612 3.199) 8.578 2.788 ( 3.926 -2.426 -1.537) 4.864 2.995 ( -6.932 -0.112 -6.234) 9.324 3.099 ( -5.306 2.079 9.965) 11.479 3.193 ( -5.131 2.166 0.024) 5.570 3.435 ( 4.658 -1.032 -6.563) 8.114 3.502 ( -13.151 0.255 -9.819) 16.415 3.554 ( -4.378 0.599 5.301) 6.901 3.877 ( -0.046 4.465 0.100) 4.466 4.095 ( -9.767 3.445 2.664) 10.694 4.245 ( 0.796 7.050 -6.521) 9.637 4.305 ( 2.781 1.248 4.858) 5.735 4.380 ( -3.411 -4.565 3.076) 6.476 4.490 ( 0.434 -6.011 -0.591) 6.056 4.557 ( -0.614 -2.157 5.181) 5.646 4.796 ( 16.191 6.348 -11.756) 20.992 4.937 ( 1.520 -4.477 0.033) 4.728 5.033 ( 2.656 -1.992 -6.177) 7.012 5.150 ( 5.448 5.906 5.146) 9.542 5.284 ( 1.332 -1.557 3.789) 4.308 5.406 ( 1.059 0.449 1.657) 2.017 5.436 ( 1.891 -7.010 1.838) 7.490 5.559 ( -0.838 0.961 -0.153) 1.284 5.660 ( -2.752 4.366 -3.443) 6.204 5.786 ( -2.898 -5.325 -6.071) 8.580 5.863 ( -3.606 11.178 -2.920) 12.103 6.080 ( 3.675 1.349 3.870) 5.505 6.337 ( -7.041 1.533 10.406) 12.658 6.455 ( 0.025 -7.142 7.166) 10.118 6.715 ( -1.413 -0.263 2.236) 2.658 6.893 ( 0.629 3.946 0.104) 3.997 6.940 ( -2.359 -0.752 -1.030) 2.682 7.334 ( 3.454 3.029 -1.537) 4.845 7.379 ( 9.029 4.720 -11.350) 15.252 7.589 ( 3.051 -1.385 -5.561) 6.492 7.982 ( -2.057 1.998 0.732) 2.959 8.092 ( -3.921 -2.821 -1.135) 4.962 8.104 ( -4.031 1.766 4.516) 6.306 8.279 ( 2.529 -5.518 -3.556) 7.035 8.374 ( 1.438 -3.843 1.360) 4.322 8.639 ( 0.713 0.057 -5.441) 5.488 8.729 ( -1.585 4.291 5.654) 7.273 8.738 ( -2.820 -1.630 3.542) 4.812 8.985 ( -2.848 0.478 -0.310) 2.905 9.145 ( -1.419 -1.131 -2.875) 3.399 9.206 ( -0.069 -1.271 1.234) 1.773 9.367 ( 1.562 -0.609 -4.655) 4.948 9.386 ( 2.733 -0.304 2.212) 3.529 9.543 ( -2.113 -1.623 7.521) 7.979 9.582 ( 0.058 -2.829 -0.905) 2.971 10.028 ( -3.875 2.943 2.089) 5.295 10.388 ( -1.150 -0.350 1.349) 1.807 10.744 ( 7.087 -2.960 3.371) 8.388 11.134 ( -0.389 -3.040 -4.776) 5.674 11.221 ( 5.227 0.653 -11.521) 12.668 11.280 ( -3.024 4.083 5.291) 7.336 11.898 ( 5.409 4.360 -11.680) 13.590 12.636 ( -6.258 0.756 16.339) 17.513 13.259 ( 0.079 -3.649 -3.892) 5.336 13.649 ( 0.196 -0.229 1.398) 1.430 13.735 ( 0.068 -0.383 -0.752) 0.846 14.811 ( -0.453 0.686 1.118) 1.388 14.825 ( -0.577 -0.389 -0.135) 0.709 14.974 ( -1.233 0.471 0.269) 1.347 14.982 ( 3.046 0.015 -0.236) 3.056 20.882 ( -2.047 0.585 0.005) 2.129 21.263 ( 1.332 2.944 13.897) 14.267 21.342 ( 1.714 -2.744 -12.609) 13.018 21.994 ( 2.819 -0.511 2.505) 3.806 22.005 ( 0.405 0.247 0.438) 0.645 22.043 ( 5.897 0.022 9.650) 11.309 23.247 ( -2.055 -0.592 1.548) 2.640 23.634 ( 1.291 -0.276 -4.618) 4.803 24.035 ( -1.613 1.234 2.810) 3.467 24.220 ( 2.015 -2.236 2.143) 3.695 24.305 ( -1.156 -1.615 -13.416) 13.562 24.754 ( 0.608 -1.181 0.007) 1.328 24.797 ( -2.974 2.011 -1.677) 3.962 24.890 ( 1.567 -1.121 0.468) 1.983 24.918 ( -7.408 1.037 -11.996) 14.137 24.947 ( -1.070 0.460 -0.462) 1.253 25.179 ( -9.834 2.029 10.916) 14.832 25.423 ( 10.743 0.925 1.221) 10.852 ======================= Grid point 125 (58/115) ======================= q-point: (-0.33 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 1.713 -0.670 3.219) 3.708 1.864 ( -1.851 -1.107 2.458) 3.271 1.942 ( -5.901 -2.752 6.911) 9.495 2.242 ( -0.252 1.740 11.685) 11.817 2.296 ( -0.978 -4.241 -9.845) 10.764 2.479 ( -6.522 1.193 1.652) 6.833 2.548 ( 7.975 -8.236 4.153) 12.194 2.662 ( 5.949 -1.239 2.365) 6.520 2.772 ( -2.741 7.444 -4.860) 9.303 2.968 ( 0.455 -3.538 -6.549) 7.458 3.045 ( 1.710 0.452 -8.153) 8.342 3.149 ( -3.053 -5.005 8.161) 10.049 3.426 ( -3.413 -2.582 -2.831) 5.132 3.504 ( -2.671 3.702 2.822) 5.366 3.544 ( 3.375 -6.772 0.037) 7.566 3.858 ( 3.250 0.152 3.522) 4.795 3.957 ( -1.328 6.686 -7.681) 10.270 4.036 ( -5.095 10.072 -7.059) 13.313 4.300 ( -0.464 3.097 4.682) 5.633 4.428 ( -1.067 -3.060 2.597) 4.153 4.600 ( -0.662 -1.062 1.838) 2.224 4.630 ( 1.742 -8.088 0.511) 8.289 4.748 ( 12.740 10.412 -8.671) 18.598 4.911 ( -0.879 5.307 -1.324) 5.540 5.094 ( -3.630 -5.389 -1.589) 6.689 5.158 ( 6.170 1.203 3.566) 7.228 5.276 ( -8.328 -1.742 -0.165) 8.509 5.369 ( -0.305 6.323 1.536) 6.514 5.474 ( -4.292 -0.805 -0.126) 4.368 5.564 ( -0.651 -0.218 1.310) 1.479 5.679 ( -1.663 5.914 -2.757) 6.734 5.706 ( 2.650 -5.800 3.851) 7.449 5.884 ( 8.662 -7.989 -10.719) 15.929 6.012 ( -0.346 8.833 8.711) 12.411 6.298 ( -4.345 1.524 2.742) 5.359 6.596 ( 2.886 -2.234 7.772) 8.587 6.740 ( -3.196 -5.920 7.221) 9.869 6.847 ( 8.810 7.120 6.933) 13.280 6.951 ( -4.335 -4.479 -6.603) 9.080 7.245 ( 5.249 8.996 -11.296) 15.365 7.317 ( 3.370 4.609 -8.897) 10.572 7.611 ( -0.731 -0.637 1.459) 1.752 7.951 ( -4.150 -1.144 4.621) 6.315 8.055 ( -4.046 0.591 3.331) 5.274 8.129 ( 0.926 -2.412 -1.329) 2.905 8.358 ( 1.566 -2.587 -3.593) 4.696 8.476 ( 1.687 -5.285 0.360) 5.559 8.609 ( -0.984 2.064 -2.368) 3.291 8.645 ( -1.802 3.845 3.519) 5.515 8.760 ( -1.943 -2.955 1.685) 3.917 8.955 ( -3.317 -0.037 1.937) 3.842 9.168 ( 1.887 -1.706 -3.327) 4.189 9.236 ( -2.637 -3.273 -0.538) 4.237 9.387 ( 2.648 -1.864 -4.671) 5.684 9.417 ( 3.384 0.793 2.226) 4.128 9.590 ( -3.387 -3.940 5.560) 7.610 9.633 ( 2.678 -2.403 -0.442) 3.625 9.930 ( -4.705 4.581 1.146) 6.666 10.390 ( -3.606 -1.554 2.698) 4.764 10.857 ( 6.375 -0.621 3.756) 7.425 11.129 ( -8.167 -0.062 -2.323) 8.491 11.228 ( 8.414 1.108 -8.428) 11.961 11.247 ( 5.207 -0.195 0.483) 5.233 11.810 ( 6.012 6.435 -16.355) 18.576 12.630 ( -8.059 -0.348 20.168) 21.721 13.303 ( -1.407 -4.130 -4.556) 6.308 13.659 ( -0.254 -0.324 1.528) 1.582 13.736 ( -0.564 -0.402 -0.912) 1.145 14.794 ( -1.085 0.956 0.867) 1.686 14.828 ( -0.251 -0.672 -0.140) 0.731 14.948 ( -2.248 0.437 -0.598) 2.367 15.006 ( 3.341 1.080 0.523) 3.549 20.852 ( -1.953 0.953 1.275) 2.520 21.253 ( -2.367 4.990 13.486) 14.573 21.364 ( 2.605 -4.211 -12.270) 13.231 21.997 ( 0.020 0.318 0.175) 0.363 22.009 ( 0.235 0.088 -0.120) 0.278 22.156 ( 10.509 1.114 6.072) 12.188 23.255 ( -2.046 -1.679 4.217) 4.978 23.642 ( 0.927 -0.594 -1.807) 2.116 24.025 ( -0.779 -0.196 3.975) 4.056 24.263 ( -0.313 -2.079 -14.481) 14.633 24.297 ( 1.316 -2.047 2.394) 3.414 24.682 ( -7.424 3.528 -5.420) 9.846 24.784 ( 0.895 -0.023 -0.610) 1.083 24.833 ( -3.700 -2.786 -4.954) 6.781 24.893 ( -1.325 1.966 0.393) 2.403 24.962 ( 1.579 -1.717 0.058) 2.333 25.102 ( -6.581 1.378 7.159) 9.821 25.506 ( 11.299 2.469 1.098) 11.618 ======================= Grid point 126 (59/115) ======================= q-point: (-0.22 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 1.622 -4.867 9.098) 10.444 1.875 ( -4.181 -3.037 -1.044) 5.272 2.000 ( -0.852 -7.125 0.354) 7.185 2.186 ( -1.132 6.112 10.154) 11.905 2.250 ( -4.182 1.496 -2.973) 5.344 2.401 ( -6.566 0.925 -4.284) 7.894 2.559 ( -3.496 7.812 -4.012) 9.452 2.732 ( 3.517 -3.261 1.973) 5.186 2.767 ( 2.816 -4.352 -5.111) 7.279 3.001 ( 4.361 2.734 -2.004) 5.523 3.090 ( 6.014 -6.337 -6.190) 10.707 3.265 ( 1.000 -4.605 -4.238) 6.338 3.406 ( -6.672 -1.970 -3.427) 7.755 3.511 ( 2.116 -3.887 9.436) 10.423 3.641 ( -1.328 5.910 -1.130) 6.162 3.749 ( 2.054 3.774 4.386) 6.140 3.839 ( -4.285 2.952 -1.222) 5.345 4.043 ( 8.508 -7.468 -5.011) 12.381 4.246 ( 2.306 4.834 2.380) 5.861 4.478 ( -1.946 0.226 0.993) 2.197 4.503 ( 0.196 7.389 -2.085) 7.680 4.654 ( 7.394 10.414 -0.566) 12.785 4.785 ( -0.152 -9.393 -6.001) 11.147 4.867 ( -4.025 -2.337 8.732) 9.895 5.110 ( -4.580 -1.369 -1.404) 4.982 5.150 ( -6.200 4.779 4.576) 9.067 5.237 ( 3.572 -0.161 -3.093) 4.728 5.286 ( -2.749 1.634 1.901) 3.720 5.496 ( -1.839 -5.210 -2.365) 6.010 5.506 ( -1.962 3.829 0.935) 4.403 5.611 ( -1.336 1.501 -1.135) 2.307 5.798 ( 2.910 -2.105 3.655) 5.124 5.906 ( 1.825 5.527 6.948) 9.064 6.111 ( 11.631 -6.697 -10.261) 16.894 6.169 ( -6.426 6.268 -6.173) 10.894 6.615 ( -2.876 1.670 11.602) 12.070 6.875 ( 6.326 4.012 -7.144) 10.351 6.886 ( 4.329 -2.511 4.978) 7.058 6.955 ( -1.725 -6.634 10.966) 12.932 7.124 ( 0.276 3.414 -9.823) 10.402 7.264 ( 4.434 1.743 -8.008) 9.318 7.612 ( -4.004 -0.540 6.967) 8.053 7.955 ( -3.802 -1.062 4.846) 6.250 8.033 ( -0.357 0.621 3.268) 3.346 8.166 ( 1.315 -1.130 -1.645) 2.390 8.350 ( -2.314 0.807 -4.816) 5.404 8.485 ( -2.651 3.449 1.617) 4.642 8.582 ( 1.127 0.213 2.668) 2.904 8.657 ( -1.749 -3.504 0.979) 4.037 8.822 ( 2.779 -3.800 -0.654) 4.753 8.944 ( 0.204 -0.742 2.088) 2.225 9.175 ( -1.336 0.223 -3.744) 3.982 9.250 ( -2.643 -2.134 0.309) 3.411 9.398 ( 2.561 1.604 -2.424) 3.874 9.463 ( 0.762 -1.341 -1.104) 1.897 9.643 ( -1.282 -4.851 -3.370) 6.044 9.705 ( 3.082 -1.322 2.055) 3.933 9.827 ( -2.015 2.609 2.625) 4.214 10.383 ( -6.137 -1.574 4.063) 7.526 10.876 ( 3.107 5.782 3.687) 7.528 11.047 ( -4.998 -1.054 -4.384) 6.731 11.282 ( 7.665 -0.104 2.157) 7.963 11.336 ( 5.760 -3.345 -5.655) 8.737 11.709 ( 7.162 5.026 -20.798) 22.564 12.636 ( -8.943 -0.696 22.278) 24.016 13.329 ( -1.503 -2.758 -4.470) 5.463 13.663 ( -0.598 -0.041 1.325) 1.454 13.731 ( -0.679 -0.140 -0.975) 1.196 14.765 ( -1.648 1.379 0.616) 2.236 14.848 ( 0.348 -1.735 0.167) 1.778 14.919 ( -1.571 0.496 -1.403) 2.163 15.009 ( 2.567 2.161 0.523) 3.396 20.828 ( -1.943 0.736 3.092) 3.725 21.171 ( -3.672 4.802 5.873) 8.428 21.427 ( 1.991 -4.245 -7.060) 8.476 21.993 ( 0.253 0.413 0.079) 0.490 22.008 ( 0.111 0.168 -0.048) 0.207 22.217 ( 11.252 4.751 -3.937) 12.833 23.294 ( -1.917 -2.522 8.349) 8.930 23.648 ( -0.231 0.086 0.447) 0.511 24.053 ( -0.326 -1.950 1.057) 2.242 24.229 ( -1.237 -1.879 -11.702) 11.916 24.367 ( 2.656 -1.961 6.031) 6.875 24.541 ( -6.366 3.072 -5.238) 8.798 24.768 ( -1.534 0.237 0.375) 1.597 24.843 ( -3.255 1.175 1.250) 3.679 24.878 ( 0.539 -3.843 -2.345) 4.534 24.977 ( -0.673 1.265 2.903) 3.238 25.090 ( -1.343 -2.679 1.619) 3.406 25.557 ( 8.902 3.014 -0.489) 9.411 ======================= Grid point 127 (60/115) ======================= q-point: (-0.11 -0.56 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -6.172 -0.741 -1.549) 6.406 1.910 ( 6.153 1.469 9.219) 11.181 2.092 ( -8.123 4.377 -13.024) 15.962 2.148 ( 1.822 -7.610 -7.283) 10.690 2.194 ( -6.135 -0.086 -2.565) 6.651 2.297 ( 9.340 5.235 9.707) 14.452 2.439 ( 2.810 5.100 0.655) 5.860 2.740 ( 1.136 1.158 -1.004) 1.908 2.850 ( 1.399 -6.459 -7.465) 9.970 3.030 ( -2.401 -2.753 1.944) 4.138 3.188 ( 4.020 -1.151 -3.188) 5.258 3.314 ( 3.894 -2.595 -5.602) 7.300 3.394 ( -0.389 10.651 5.323) 11.913 3.489 ( -1.568 -5.839 -3.030) 6.762 3.540 ( -0.865 3.090 -3.933) 5.076 3.770 ( -3.684 0.560 -4.077) 5.523 3.859 ( -0.004 -6.818 10.580) 12.587 4.183 ( -2.899 -1.392 6.130) 6.922 4.283 ( 7.169 0.545 -2.543) 7.626 4.318 ( 4.191 0.109 -3.084) 5.205 4.509 ( -4.037 2.325 -3.618) 5.898 4.544 ( 5.451 6.838 4.432) 9.804 4.871 ( -2.310 -4.703 -7.512) 9.159 4.938 ( -7.637 -5.489 14.461) 17.250 4.984 ( -5.939 5.842 1.570) 8.477 5.057 ( -6.454 0.839 -1.724) 6.733 5.257 ( 0.395 0.443 -1.178) 1.319 5.285 ( 2.862 -1.000 3.458) 4.599 5.473 ( 3.033 1.999 1.442) 3.908 5.553 ( -0.079 5.091 4.892) 7.060 5.613 ( 3.081 -10.245 -1.921) 10.870 5.845 ( -0.908 3.407 -1.399) 3.793 5.910 ( 3.770 -2.108 5.673) 7.130 5.950 ( -5.413 6.258 -7.719) 11.315 6.259 ( 11.684 -1.767 -12.457) 17.170 6.602 ( -4.090 0.913 7.134) 8.274 6.763 ( 0.286 4.881 -10.246) 11.353 6.917 ( -0.921 3.451 -2.668) 4.458 7.070 ( 3.715 -4.683 2.464) 6.466 7.208 ( -0.003 -9.716 11.828) 15.307 7.273 ( 2.451 -0.935 -5.023) 5.667 7.593 ( -8.076 0.707 11.311) 13.916 7.937 ( -1.037 2.044 3.852) 4.483 8.061 ( 2.751 -1.105 3.980) 4.963 8.173 ( 1.267 0.651 -2.911) 3.240 8.285 ( -2.717 1.714 -3.858) 5.020 8.422 ( -2.843 0.998 -0.106) 3.015 8.586 ( -1.009 1.499 3.999) 4.388 8.668 ( -1.578 -0.333 -0.263) 1.634 8.869 ( -0.658 -0.136 1.885) 2.001 9.051 ( 9.085 -5.201 -0.930) 10.510 9.132 ( 0.753 1.655 -5.404) 5.702 9.251 ( -0.797 0.232 0.270) 0.873 9.388 ( -1.655 -0.406 -2.202) 2.785 9.444 ( -2.143 0.874 2.471) 3.385 9.659 ( -6.871 2.222 1.296) 7.337 9.678 ( 2.088 -1.440 -9.989) 10.306 9.915 ( 7.782 -3.856 5.004) 10.023 10.351 ( -6.597 0.101 4.619) 8.054 10.807 ( 1.754 5.424 4.332) 7.160 11.030 ( -3.528 -3.546 -6.729) 8.384 11.359 ( 5.287 1.636 -5.205) 7.598 11.399 ( 2.039 -3.184 4.037) 5.531 11.652 ( 9.629 1.986 -22.007) 24.103 12.636 ( -9.057 0.048 22.203) 23.979 13.333 ( -0.161 -0.660 -3.720) 3.782 13.658 ( -0.570 0.415 0.851) 1.105 13.723 ( -0.172 0.149 -0.831) 0.862 14.732 ( -1.394 0.913 0.866) 1.878 14.875 ( 0.033 0.192 -2.916) 2.922 14.902 ( 0.208 -1.167 1.498) 1.910 14.992 ( 1.588 2.282 -0.429) 2.813 20.817 ( -1.284 0.313 4.609) 4.795 21.097 ( -2.426 2.579 3.662) 5.093 21.467 ( -0.115 -2.609 -7.813) 8.237 21.986 ( 0.874 1.070 -0.732) 1.563 22.007 ( 0.056 0.050 0.012) 0.076 22.188 ( 10.228 7.705 -10.663) 16.663 23.347 ( -1.624 -1.658 9.586) 9.863 23.637 ( -1.293 0.710 1.327) 1.984 24.041 ( -4.201 -0.703 -7.904) 8.979 24.271 ( 3.162 -4.640 0.787) 5.670 24.431 ( -3.039 1.757 -2.667) 4.409 24.453 ( 1.741 -1.757 5.583) 6.107 24.757 ( -3.129 -0.207 2.992) 4.334 24.812 ( -1.286 -0.519 1.726) 2.215 24.925 ( -1.106 -1.658 0.788) 2.143 24.963 ( 0.395 0.126 0.570) 0.704 25.139 ( -0.007 -2.792 1.150) 3.020 25.577 ( 4.364 1.195 -3.065) 5.465 ======================= Grid point 133 (61/115) ======================= q-point: (-0.44 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 2.095 -0.000 -0.594) 2.177 1.889 ( 0.586 -0.000 -0.893) 1.068 1.970 ( -10.614 0.000 9.486) 14.235 2.205 ( 1.047 -0.000 -6.401) 6.486 2.286 ( -0.046 0.000 20.194) 20.194 2.304 ( 14.136 -0.000 16.766) 21.930 2.338 ( -2.025 0.000 -7.943) 8.197 2.680 ( -2.617 0.000 -5.102) 5.734 2.889 ( 11.295 -0.000 -7.441) 13.526 2.917 ( -4.150 0.000 -0.932) 4.254 3.143 ( -2.574 0.000 8.036) 8.438 3.158 ( -8.502 0.000 -1.487) 8.631 3.240 ( -17.831 0.000 -16.471) 24.274 3.491 ( 9.211 -0.000 -6.414) 11.225 3.533 ( 1.122 -0.000 -0.006) 1.122 3.924 ( -0.365 0.000 -1.131) 1.188 4.047 ( -10.697 0.000 9.710) 14.447 4.253 ( -4.641 0.000 -3.693) 5.932 4.335 ( -0.113 0.000 -1.001) 1.007 4.342 ( 1.230 -0.000 3.660) 3.861 4.510 ( 4.585 -0.000 2.085) 5.036 4.571 ( 5.857 -0.000 10.129) 11.701 4.877 ( -2.747 0.000 0.967) 2.912 4.962 ( 9.977 -0.000 -5.313) 11.304 5.029 ( 3.876 -0.000 -7.012) 8.012 5.278 ( -2.882 0.000 3.348) 4.417 5.322 ( 5.608 -0.000 2.441) 6.116 5.338 ( 3.837 -0.000 -0.891) 3.939 5.449 ( 1.495 -0.000 3.230) 3.559 5.541 ( -4.613 0.000 -2.954) 5.478 5.678 ( -0.742 0.000 -2.273) 2.391 5.678 ( 0.587 -0.000 -7.560) 7.583 5.899 ( -7.938 0.000 -6.683) 10.377 6.155 ( 7.151 -0.000 4.510) 8.455 6.339 ( -7.720 0.000 8.221) 11.277 6.389 ( 2.466 -0.000 9.694) 10.003 6.746 ( 3.738 -0.000 2.683) 4.601 6.797 ( -5.055 0.000 -7.143) 8.751 7.064 ( 6.653 -0.000 7.430) 9.974 7.363 ( 4.423 -0.000 -2.171) 4.927 7.519 ( 10.106 -0.000 -6.668) 12.108 7.565 ( 1.263 -0.000 -9.729) 9.810 7.982 ( -4.968 0.000 -0.014) 4.968 8.019 ( -3.613 0.000 -0.992) 3.747 8.065 ( -5.126 0.000 1.053) 5.233 8.259 ( 5.080 -0.000 -2.582) 5.698 8.358 ( 0.625 -0.000 3.270) 3.329 8.609 ( -2.591 0.000 -4.584) 5.266 8.712 ( -1.813 0.000 3.420) 3.870 8.769 ( -2.537 0.000 4.285) 4.980 8.951 ( -4.768 0.000 0.446) 4.789 9.078 ( -2.901 0.000 -3.509) 4.553 9.226 ( -0.174 0.000 3.266) 3.271 9.354 ( 2.340 -0.000 -7.484) 7.841 9.435 ( 5.242 -0.000 2.328) 5.736 9.535 ( -0.516 0.000 -1.517) 1.602 9.562 ( -0.995 0.000 9.305) 9.358 10.021 ( -4.651 0.000 2.023) 5.072 10.361 ( -3.399 0.000 -0.468) 3.431 10.830 ( 10.480 -0.000 7.424) 12.843 11.059 ( -3.463 0.000 -6.228) 7.126 11.247 ( 8.569 -0.000 -14.510) 16.852 11.327 ( -0.609 0.000 7.957) 7.980 11.943 ( 4.576 -0.000 -10.964) 11.881 12.636 ( -7.537 0.000 15.630) 17.352 13.200 ( -2.593 0.000 -4.014) 4.779 13.651 ( -0.313 0.000 1.445) 1.478 13.726 ( -0.616 0.000 -0.857) 1.055 14.809 ( -1.739 0.000 1.021) 2.017 14.814 ( -0.960 0.000 0.032) 0.961 14.959 ( -2.901 0.000 -0.272) 2.914 15.023 ( 5.077 -0.000 0.710) 5.126 20.880 ( -0.304 0.000 0.829) 0.883 21.273 ( 1.803 -0.000 -13.388) 13.509 21.363 ( -0.572 0.000 16.430) 16.440 22.003 ( 0.334 -0.000 0.089) 0.345 22.009 ( 0.229 -0.000 0.062) 0.237 22.165 ( 8.393 -0.000 16.406) 18.428 23.233 ( -0.791 0.000 0.595) 0.990 23.622 ( 1.157 -0.000 -5.917) 6.029 24.035 ( -1.667 0.000 1.141) 2.020 24.207 ( 0.749 -0.000 -13.685) 13.705 24.259 ( 0.904 -0.000 2.374) 2.541 24.731 ( -3.330 0.000 -4.190) 5.352 24.791 ( -2.332 0.000 -2.063) 3.113 24.803 ( -6.062 0.000 -6.363) 8.789 24.897 ( 1.490 -0.000 -0.596) 1.605 24.941 ( -1.316 0.000 -1.181) 1.768 25.139 ( -9.007 0.000 8.285) 12.238 25.562 ( 14.330 -0.000 2.124) 14.486 ======================= Grid point 134 (62/115) ======================= q-point: (-0.33 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -3.850 1.078 1.483) 4.265 1.780 ( -9.655 -1.440 -5.430) 11.170 1.886 ( -10.257 1.935 9.103) 13.850 2.184 ( -1.059 1.503 -1.725) 2.521 2.298 ( -8.697 -5.185 3.610) 10.749 2.455 ( 7.911 -4.000 8.468) 12.259 2.541 ( 9.096 -2.813 13.401) 16.439 2.679 ( 2.463 -1.184 -3.800) 4.681 2.774 ( -14.657 3.078 -16.053) 21.955 2.913 ( 5.266 -2.746 -7.735) 9.752 3.063 ( 3.006 0.317 -1.220) 3.260 3.139 ( -15.241 -8.426 -9.151) 19.673 3.195 ( 5.006 2.930 14.425) 15.548 3.561 ( 2.746 1.140 0.853) 3.093 3.589 ( 12.628 -0.359 -1.032) 12.675 3.893 ( 2.584 0.094 -4.960) 5.593 3.969 ( -4.715 3.441 3.660) 6.890 4.154 ( -3.835 7.151 -3.252) 8.742 4.328 ( -2.081 -1.180 4.162) 4.800 4.405 ( 0.605 -3.813 4.931) 6.262 4.543 ( 8.265 2.596 0.439) 8.674 4.654 ( 1.138 0.492 8.631) 8.720 4.885 ( -4.757 -2.294 -3.152) 6.150 4.965 ( 1.457 3.257 0.127) 3.571 5.041 ( 3.541 -0.289 -5.764) 6.771 5.216 ( -1.518 3.094 -2.350) 4.171 5.277 ( 4.083 5.813 1.911) 7.356 5.421 ( -4.504 2.187 -1.503) 5.228 5.458 ( 1.213 0.624 -0.577) 1.481 5.501 ( -3.069 -3.557 1.766) 5.019 5.654 ( -1.504 -1.856 -3.664) 4.374 5.735 ( -4.497 4.851 -4.027) 7.744 5.788 ( 7.755 -8.443 -7.664) 13.790 6.161 ( 2.456 6.353 4.829) 8.350 6.333 ( 0.291 1.785 6.558) 6.803 6.533 ( 1.263 -9.701 9.630) 13.727 6.720 ( -0.283 0.937 -0.874) 1.312 6.837 ( 1.623 -3.497 -0.998) 3.982 7.093 ( 9.435 7.529 7.457) 14.189 7.382 ( 5.247 3.358 -5.273) 8.161 7.421 ( 2.628 9.482 -14.684) 17.676 7.597 ( 0.377 -0.524 0.927) 1.129 7.931 ( -3.528 0.945 1.860) 4.099 7.974 ( -5.925 -2.449 3.178) 7.155 8.098 ( 0.516 -3.947 -1.467) 4.242 8.310 ( 1.736 -2.570 -5.870) 6.639 8.411 ( 0.861 -4.135 3.379) 5.409 8.593 ( -1.998 -3.260 -2.886) 4.790 8.703 ( -1.672 1.373 2.522) 3.323 8.716 ( -2.600 3.667 2.193) 5.002 8.918 ( -4.953 -1.048 3.772) 6.313 9.079 ( -1.871 -4.060 -4.937) 6.660 9.224 ( -1.700 0.336 3.773) 4.152 9.359 ( 1.618 -1.388 -7.092) 7.406 9.476 ( 4.403 1.109 1.651) 4.831 9.549 ( 0.937 -0.724 0.399) 1.249 9.612 ( 0.769 -3.237 6.423) 7.233 9.955 ( -4.954 3.135 1.281) 6.000 10.324 ( -6.039 -0.846 0.211) 6.102 10.960 ( 10.311 0.391 6.167) 12.021 11.029 ( -2.819 -1.878 -4.175) 5.376 11.289 ( 11.080 -0.451 -13.608) 17.554 11.327 ( 1.267 2.676 5.976) 6.669 11.900 ( 4.114 4.984 -13.477) 14.946 12.615 ( -9.087 -0.115 18.372) 20.497 13.187 ( -4.568 -4.250 -4.422) 7.647 13.654 ( -0.761 -0.298 1.388) 1.611 13.718 ( -1.082 -0.376 -0.994) 1.517 14.792 ( -2.066 0.252 0.953) 2.289 14.810 ( -1.081 -0.686 0.182) 1.293 14.921 ( -3.849 0.256 -0.775) 3.935 15.070 ( 5.559 0.997 1.140) 5.762 20.874 ( 0.652 1.536 1.680) 2.368 21.271 ( 1.197 -3.035 -12.160) 12.590 21.363 ( -2.861 4.707 14.782) 15.775 22.004 ( 0.235 0.241 0.014) 0.337 22.012 ( 0.260 0.006 -0.007) 0.260 22.306 ( 10.231 0.286 13.725) 17.121 23.235 ( -0.500 -0.597 2.011) 2.157 23.624 ( 1.057 -1.238 -4.179) 4.485 24.022 ( -0.983 0.123 0.582) 1.149 24.160 ( -0.765 -2.052 -18.898) 19.025 24.310 ( 2.463 -1.241 8.023) 8.484 24.632 ( -7.111 1.633 -9.158) 11.709 24.760 ( -2.819 -0.451 -2.223) 3.618 24.780 ( -0.186 -0.572 0.657) 0.890 24.907 ( -1.715 1.423 -1.118) 2.493 24.930 ( 0.174 -2.602 -0.184) 2.614 25.078 ( -7.309 0.957 5.781) 9.368 25.684 ( 14.640 2.821 1.422) 14.977 ======================= Grid point 135 (63/115) ======================= q-point: (-0.22 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( -18.370 -6.582 -5.368) 20.239 1.824 ( -11.065 -4.553 3.797) 12.553 1.864 ( 5.494 -6.278 6.837) 10.786 2.107 ( -5.603 0.387 -5.204) 7.657 2.262 ( -7.869 0.381 -8.092) 11.294 2.509 ( 3.708 6.847 15.462) 17.312 2.596 ( -3.234 0.880 -6.819) 7.598 2.735 ( 3.608 -4.087 -0.581) 5.483 2.758 ( 1.836 -5.758 5.393) 8.100 2.972 ( -1.235 -6.605 -8.510) 10.843 3.051 ( -0.414 2.213 -0.227) 2.263 3.165 ( -2.150 -9.644 -6.237) 11.685 3.287 ( 9.170 1.674 4.816) 10.492 3.503 ( -6.094 2.804 7.581) 10.122 3.704 ( 9.213 1.206 -0.013) 9.292 3.862 ( -3.989 5.249 -1.488) 6.759 3.956 ( 4.140 6.402 -3.233) 8.281 4.025 ( 9.143 -0.897 0.044) 9.187 4.357 ( 4.462 1.247 3.592) 5.863 4.468 ( 0.804 0.253 5.797) 5.858 4.580 ( 1.424 0.268 -4.351) 4.586 4.628 ( -7.084 -0.467 5.583) 9.032 4.798 ( -6.180 1.985 -3.459) 7.355 4.916 ( 5.747 8.240 -2.110) 10.266 5.025 ( -6.394 -0.508 -4.527) 7.850 5.193 ( 6.844 1.020 -1.403) 7.060 5.244 ( -2.721 0.157 4.066) 4.895 5.316 ( -2.936 3.399 -1.845) 4.856 5.423 ( -3.228 1.166 -0.701) 3.503 5.499 ( -3.423 -1.263 -3.496) 5.053 5.630 ( -0.918 2.296 0.493) 2.521 5.737 ( 0.090 -7.549 3.126) 8.171 6.019 ( 11.011 -6.489 -8.259) 15.217 6.097 ( 3.156 4.204 2.033) 5.637 6.235 ( -2.188 9.254 1.264) 9.593 6.715 ( 1.278 4.112 9.425) 10.362 6.764 ( 0.812 -12.162 7.743) 14.441 6.880 ( 0.468 -1.724 -3.598) 4.017 7.092 ( 9.525 5.313 3.055) 11.327 7.204 ( 0.325 10.870 -9.727) 14.590 7.351 ( 7.068 4.821 -7.945) 11.676 7.584 ( -4.136 0.610 5.334) 6.777 7.911 ( -3.885 -0.883 6.141) 7.320 8.008 ( -0.180 -3.981 -1.332) 4.202 8.164 ( 2.113 -2.582 0.119) 3.339 8.302 ( -3.372 -0.623 -6.437) 7.293 8.510 ( 1.766 -3.431 1.003) 3.987 8.571 ( -5.459 2.664 5.425) 8.144 8.659 ( -1.684 2.569 2.652) 4.058 8.738 ( 3.919 -7.054 -4.276) 9.133 8.926 ( -2.445 -2.323 6.674) 7.478 9.106 ( -3.230 -3.739 -5.518) 7.407 9.216 ( -2.062 -0.156 3.059) 3.692 9.375 ( -0.313 -2.206 -5.947) 6.351 9.507 ( 4.511 0.760 -0.802) 4.644 9.556 ( -1.392 -0.669 0.732) 1.709 9.709 ( 2.473 -2.836 2.132) 4.325 9.861 ( -2.387 2.920 2.027) 4.282 10.281 ( -9.276 -2.364 2.117) 9.804 10.981 ( -1.408 -0.001 -7.470) 7.601 11.044 ( 6.845 5.707 6.505) 11.033 11.346 ( 4.692 -0.054 4.056) 6.203 11.374 ( 12.096 -1.046 -8.483) 14.811 11.780 ( 3.690 6.417 -18.169) 19.620 12.609 ( -9.847 -1.302 21.516) 23.698 13.212 ( -4.668 -5.962 -4.626) 8.873 13.656 ( -0.966 -0.401 1.199) 1.591 13.711 ( -1.151 -0.605 -1.073) 1.686 14.768 ( -2.172 0.864 0.593) 2.412 14.815 ( -1.498 -1.357 0.182) 2.029 14.887 ( -3.242 -0.825 -0.861) 3.454 15.094 ( 5.202 2.800 0.857) 5.969 20.859 ( 0.946 2.162 3.263) 4.027 21.234 ( -3.455 4.787 0.869) 5.967 21.341 ( -1.485 -3.003 -1.162) 3.546 22.002 ( 0.343 0.284 0.113) 0.459 22.012 ( 0.188 0.184 -0.049) 0.267 22.413 ( 13.096 4.496 1.857) 13.970 23.271 ( -0.625 -2.470 8.302) 8.684 23.641 ( 0.098 -0.841 -0.953) 1.275 24.011 ( -1.494 -0.763 -7.323) 7.512 24.142 ( -0.080 -3.386 -9.128) 9.737 24.391 ( 2.841 -1.634 9.403) 9.957 24.510 ( -5.571 2.500 -6.219) 8.716 24.736 ( -2.672 -0.934 -1.532) 3.218 24.799 ( -2.132 -1.432 0.429) 2.604 24.865 ( -0.283 0.615 -1.422) 1.575 24.975 ( -0.655 -2.043 0.754) 2.274 25.027 ( -5.032 -0.959 2.846) 5.861 25.746 ( 12.911 6.026 0.344) 14.252 ======================= Grid point 136 (64/115) ======================= q-point: (-0.11 -0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.581 ( -11.596 -13.417 -1.660) 17.811 1.876 ( -4.473 -12.895 -9.812) 16.810 1.920 ( -15.191 1.691 -15.204) 21.559 2.125 ( 8.982 1.002 9.575) 13.166 2.170 ( -0.719 -2.993 4.123) 5.145 2.481 ( 1.665 5.521 14.826) 15.909 2.571 ( 3.389 0.705 -4.300) 5.520 2.723 ( -3.233 -0.127 -14.641) 14.994 2.828 ( 2.521 -0.631 11.244) 11.540 3.000 ( -1.798 2.889 2.684) 4.334 3.182 ( 6.063 -12.713 -5.093) 14.977 3.242 ( -1.517 -1.892 -0.180) 2.432 3.343 ( 8.956 -1.526 -7.433) 11.738 3.479 ( -7.788 -2.547 8.630) 11.900 3.639 ( 1.618 10.615 -6.699) 12.656 3.766 ( -1.347 2.085 0.312) 2.502 3.901 ( 7.702 5.401 3.695) 10.107 4.142 ( 2.711 -2.728 0.565) 3.887 4.363 ( 3.462 4.293 -0.192) 5.518 4.405 ( -2.153 7.335 -1.165) 7.732 4.515 ( -0.994 2.454 3.371) 4.287 4.691 ( -2.714 -6.147 -3.023) 7.368 4.699 ( -6.241 0.925 0.628) 6.340 4.785 ( -5.222 3.436 -1.672) 6.471 4.994 ( 0.037 -0.391 -6.779) 6.790 5.142 ( -8.809 6.057 8.639) 13.745 5.265 ( 3.507 -0.002 0.608) 3.559 5.293 ( 1.128 -0.931 2.541) 2.932 5.456 ( -0.086 -7.682 -2.475) 8.071 5.497 ( 0.777 -2.318 2.303) 3.358 5.606 ( 1.356 1.802 -0.469) 2.304 5.855 ( -0.677 -2.073 -1.359) 2.570 5.973 ( 1.798 4.791 -0.101) 5.119 6.055 ( 3.224 7.637 4.562) 9.462 6.275 ( 10.927 -5.265 -10.662) 16.149 6.660 ( -0.448 6.099 11.045) 12.625 6.802 ( 0.147 4.239 -10.305) 11.144 6.987 ( -1.466 1.976 -4.956) 5.533 7.037 ( -0.508 -3.410 3.131) 4.657 7.139 ( 5.976 -0.159 2.537) 6.494 7.330 ( 6.569 3.401 -0.101) 7.398 7.553 ( -7.042 -0.088 7.977) 10.641 7.927 ( -3.021 -1.810 5.950) 6.915 8.067 ( 2.073 -2.386 -1.251) 3.399 8.207 ( 3.221 0.587 -0.533) 3.318 8.260 ( -1.709 -0.711 -3.694) 4.132 8.449 ( -2.226 4.383 1.318) 5.089 8.603 ( -3.437 0.910 4.007) 5.357 8.622 ( -1.773 -3.202 1.328) 3.894 8.857 ( 3.303 -2.562 0.789) 4.254 9.025 ( 4.662 -6.730 1.425) 8.310 9.106 ( -2.438 -2.384 -3.538) 4.914 9.217 ( -1.756 -1.275 1.854) 2.854 9.358 ( -3.876 -0.213 -3.779) 5.417 9.492 ( 1.523 4.329 0.712) 4.643 9.575 ( -2.637 -3.293 -2.325) 4.817 9.682 ( -0.933 2.665 -6.886) 7.442 9.921 ( 4.291 -4.367 6.972) 9.278 10.250 ( -9.416 -3.815 2.826) 10.545 10.937 ( -0.971 1.638 -0.861) 2.090 11.000 ( 5.714 6.648 -2.440) 9.100 11.401 ( 4.759 0.911 -3.731) 6.116 11.457 ( 7.039 1.962 4.245) 8.451 11.677 ( 6.344 1.630 -22.832) 23.753 12.617 ( -9.908 -1.252 22.503) 24.620 13.255 ( -2.886 -5.536 -4.196) 7.522 13.656 ( -0.860 -0.187 0.855) 1.227 13.710 ( -0.749 -0.763 -0.954) 1.433 14.732 ( -2.150 0.853 0.539) 2.375 14.829 ( -1.751 -2.269 -1.119) 3.076 14.880 ( -1.938 -1.382 -0.134) 2.384 15.084 ( 4.569 4.230 0.350) 6.237 20.852 ( 1.339 1.732 5.333) 5.765 21.131 ( -3.730 3.692 3.631) 6.381 21.368 ( -2.381 -3.851 -7.636) 8.878 22.001 ( 0.422 0.315 0.045) 0.529 22.010 ( 0.142 0.240 0.007) 0.280 22.407 ( 12.869 9.126 -10.375) 18.882 23.348 ( -0.155 -1.992 12.364) 12.524 23.639 ( -1.129 0.458 0.878) 1.502 23.956 ( -4.511 -0.640 -10.388) 11.343 24.220 ( 3.159 -5.670 1.119) 6.587 24.416 ( -3.228 1.638 -3.643) 5.136 24.474 ( 2.709 -1.289 8.691) 9.194 24.728 ( -3.291 -0.683 1.855) 3.839 24.777 ( -3.062 -1.232 -1.562) 3.651 24.887 ( 0.784 -2.037 -1.237) 2.509 24.968 ( -1.943 0.338 2.043) 2.840 25.055 ( -2.635 -4.535 -0.077) 5.246 25.733 ( 9.714 8.357 -0.959) 12.850 ======================= Grid point 143 (65/115) ======================= q-point: (-0.33 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( -23.503 0.000 -10.020) 25.550 1.723 ( -0.056 0.000 4.886) 4.886 1.872 ( -7.979 0.000 10.004) 12.796 2.054 ( -24.253 0.000 6.318) 25.063 2.263 ( -0.059 0.000 2.309) 2.309 2.379 ( -15.563 0.000 -3.727) 16.003 2.533 ( -8.770 0.000 -14.933) 17.318 2.646 ( 11.676 -0.000 -16.265) 20.022 2.806 ( 7.052 -0.000 15.695) 17.206 2.904 ( 6.436 -0.000 -8.073) 10.324 2.939 ( -2.387 0.000 0.428) 2.425 3.112 ( 1.642 -0.000 4.473) 4.765 3.336 ( 8.043 -0.000 13.057) 15.336 3.631 ( 5.287 -0.000 2.346) 5.784 3.706 ( 15.111 -0.000 -3.169) 15.439 3.875 ( 0.817 -0.000 -7.555) 7.599 3.998 ( -0.060 0.000 4.713) 4.713 4.165 ( -2.881 0.000 0.844) 3.002 4.305 ( -2.604 0.000 3.297) 4.202 4.391 ( 0.140 -0.000 7.485) 7.486 4.695 ( 8.563 -0.000 4.725) 9.780 4.711 ( -1.207 0.000 5.964) 6.085 4.804 ( -0.543 0.000 -3.319) 3.363 4.958 ( -3.854 0.000 8.627) 9.449 5.053 ( 3.009 -0.000 -7.287) 7.884 5.206 ( -4.754 0.000 -3.427) 5.860 5.346 ( -6.587 0.000 -8.123) 10.458 5.404 ( 0.412 -0.000 5.173) 5.190 5.457 ( 0.941 -0.000 -5.766) 5.842 5.481 ( -1.011 0.000 -0.752) 1.260 5.665 ( 13.387 -0.000 -14.899) 20.030 5.699 ( 1.138 -0.000 1.778) 2.111 5.713 ( -8.011 0.000 -6.130) 10.087 6.310 ( 4.067 -0.000 7.427) 8.468 6.329 ( 1.208 -0.000 6.495) 6.606 6.519 ( 5.251 -0.000 7.147) 8.869 6.669 ( -3.833 0.000 -6.712) 7.729 6.879 ( 6.042 -0.000 5.855) 8.414 7.280 ( 9.390 -0.000 7.266) 11.873 7.423 ( -1.633 0.000 -15.952) 16.035 7.474 ( 5.846 -0.000 -5.553) 8.063 7.624 ( 2.047 -0.000 6.308) 6.632 7.854 ( -5.821 0.000 -0.587) 5.850 8.014 ( -0.582 0.000 -4.253) 4.293 8.015 ( 0.177 -0.000 7.506) 7.508 8.274 ( 0.685 -0.000 -8.715) 8.742 8.396 ( 0.800 -0.000 3.643) 3.730 8.497 ( -6.680 0.000 -1.599) 6.868 8.725 ( -4.225 0.000 1.467) 4.472 8.732 ( 1.259 -0.000 0.287) 1.291 8.875 ( -3.849 0.000 5.754) 6.923 9.017 ( -1.034 0.000 -5.119) 5.222 9.209 ( -4.914 0.000 5.909) 7.685 9.331 ( 0.883 -0.000 -8.029) 8.077 9.523 ( 1.015 -0.000 -2.380) 2.587 9.581 ( 8.347 -0.000 1.066) 8.415 9.610 ( -1.130 0.000 8.962) 9.033 9.939 ( -5.013 0.000 2.241) 5.491 10.258 ( -7.074 0.000 -1.036) 7.149 10.992 ( 2.821 -0.000 -7.245) 7.775 11.094 ( 9.942 -0.000 10.065) 14.147 11.337 ( 12.624 -0.000 -16.596) 20.852 11.377 ( -0.075 0.000 6.968) 6.968 11.935 ( 3.447 -0.000 -12.458) 12.926 12.586 ( -10.307 0.000 18.199) 20.915 13.073 ( -7.845 0.000 -4.006) 8.808 13.647 ( -1.060 0.000 1.171) 1.579 13.700 ( -1.248 0.000 -1.072) 1.645 14.775 ( -2.666 0.000 1.250) 2.944 14.792 ( -1.697 0.000 0.473) 1.762 14.880 ( -4.578 0.000 -1.096) 4.707 15.140 ( 6.256 -0.000 1.008) 6.337 20.911 ( 2.518 -0.000 1.854) 3.127 21.215 ( 1.041 -0.000 -9.985) 10.039 21.432 ( -3.321 0.000 12.917) 13.337 22.008 ( 0.289 -0.000 -0.140) 0.321 22.015 ( 0.251 -0.000 0.204) 0.324 22.447 ( 9.314 -0.000 14.703) 17.405 23.238 ( 0.822 -0.000 0.802) 1.149 23.604 ( 1.414 -0.000 -5.410) 5.592 24.022 ( -0.399 0.000 1.344) 1.402 24.055 ( -1.982 0.000 -21.017) 21.110 24.358 ( 3.016 -0.000 10.700) 11.117 24.552 ( -5.312 0.000 -9.001) 10.452 24.731 ( -2.761 0.000 -0.832) 2.884 24.775 ( -0.345 0.000 1.239) 1.286 24.892 ( -2.904 0.000 -1.508) 3.272 24.901 ( -1.109 0.000 0.257) 1.139 25.038 ( -6.234 0.000 3.763) 7.282 25.855 ( 15.262 -0.000 0.674) 15.277 ======================= Grid point 144 (66/115) ======================= q-point: (-0.22 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( -24.079 -1.708 -7.591) 25.305 1.671 ( -23.841 1.716 5.172) 24.456 1.778 ( -2.234 -4.802 3.936) 6.598 2.005 ( -9.132 -6.239 -1.651) 11.182 2.214 ( -18.755 -9.547 -12.361) 24.407 2.270 ( -8.017 -3.588 10.290) 13.529 2.521 ( -1.311 -3.448 -12.043) 12.595 2.710 ( -1.671 -6.351 3.957) 7.667 2.801 ( 6.303 2.972 -11.732) 13.646 2.936 ( 9.274 7.356 14.881) 19.015 3.056 ( 9.448 -6.667 -9.552) 14.998 3.162 ( 5.661 1.201 8.142) 9.989 3.449 ( 8.840 1.262 9.682) 13.171 3.553 ( -5.847 8.241 1.256) 10.182 3.840 ( 11.708 1.407 -1.008) 11.836 3.896 ( 0.108 1.967 -0.637) 2.071 4.008 ( 6.400 0.092 0.353) 6.411 4.130 ( 2.582 1.928 -0.114) 3.224 4.355 ( 2.296 -5.183 4.633) 7.321 4.454 ( 0.157 -3.644 7.682) 8.504 4.617 ( -5.140 6.764 4.582) 9.653 4.723 ( 4.778 8.365 2.341) 9.914 4.770 ( -2.939 0.776 -2.650) 4.033 4.994 ( 0.535 3.264 -0.258) 3.317 5.009 ( 1.340 1.088 -5.067) 5.353 5.171 ( -8.138 -1.802 -0.010) 8.335 5.236 ( -4.716 0.102 -8.534) 9.751 5.375 ( 1.038 6.240 -6.142) 8.818 5.404 ( -0.471 -1.082 0.288) 1.215 5.526 ( 3.062 6.114 -2.506) 7.282 5.566 ( -5.190 -5.945 1.705) 8.074 5.668 ( -0.744 -0.999 -0.049) 1.246 5.923 ( 13.420 -11.384 -12.891) 21.815 6.258 ( 3.318 7.226 7.391) 10.856 6.404 ( 1.500 8.500 4.823) 9.888 6.570 ( -2.865 -9.355 3.412) 10.361 6.745 ( 4.897 -8.133 0.336) 9.500 6.916 ( 1.375 3.821 7.386) 8.429 7.214 ( -2.395 8.302 -11.189) 14.137 7.384 ( 6.451 5.688 1.413) 8.716 7.471 ( 9.002 4.456 -6.994) 12.240 7.629 ( -0.168 3.875 8.149) 9.025 7.899 ( 1.672 -6.339 -0.590) 6.582 7.924 ( -3.157 2.653 -0.054) 4.124 8.111 ( 0.117 -4.524 4.694) 6.520 8.245 ( -1.878 -0.297 -8.062) 8.283 8.457 ( 1.206 -4.640 3.186) 5.756 8.500 ( -7.096 -6.358 1.394) 9.629 8.658 ( -4.485 2.527 -0.463) 5.169 8.729 ( 1.977 -0.618 -1.072) 2.332 8.896 ( -0.675 -1.370 7.427) 7.582 9.004 ( -1.913 -2.201 -6.252) 6.898 9.190 ( -5.044 -1.136 5.547) 7.583 9.316 ( -1.092 -1.258 -6.788) 6.990 9.517 ( 1.769 0.605 -2.331) 2.988 9.615 ( 1.816 2.017 2.617) 3.771 9.688 ( 3.555 -2.952 3.894) 6.043 9.889 ( -2.235 2.214 2.304) 3.900 10.177 ( -9.660 0.066 1.282) 9.745 10.984 ( 4.474 2.525 -7.897) 9.421 11.206 ( 8.083 2.169 3.860) 9.217 11.408 ( 6.081 -0.365 2.804) 6.706 11.418 ( 10.223 -2.502 -9.217) 13.990 11.859 ( 2.127 6.687 -14.412) 16.029 12.565 ( -10.714 -1.328 20.793) 23.429 13.030 ( -8.709 -6.179 -3.956) 11.388 13.644 ( -1.044 -0.362 0.969) 1.470 13.688 ( -1.138 -0.395 -1.129) 1.651 14.755 ( -2.656 -0.010 1.124) 2.884 14.781 ( -2.522 -0.645 0.383) 2.631 14.836 ( -4.206 -0.551 -0.858) 4.328 15.186 ( 5.834 1.621 -0.323) 6.064 20.927 ( 3.254 2.165 2.403) 4.588 21.213 ( 0.615 -1.972 -8.477) 8.725 21.368 ( -5.932 6.727 9.784) 13.273 22.009 ( 0.323 0.145 -0.044) 0.357 22.016 ( 0.166 0.126 0.080) 0.224 22.580 ( 11.968 0.408 -0.652) 11.993 23.266 ( 0.941 -1.598 7.278) 7.510 23.618 ( 1.216 -1.653 -3.381) 3.955 23.949 ( -3.605 0.571 -14.016) 14.484 24.063 ( 0.629 -3.712 -1.399) 4.016 24.438 ( 3.167 -0.612 12.049) 12.473 24.474 ( -3.510 1.031 -5.168) 6.332 24.702 ( -2.150 0.079 -0.547) 2.220 24.774 ( -1.937 0.232 0.888) 2.143 24.855 ( -2.219 0.004 -0.752) 2.343 24.914 ( -2.113 -3.142 0.199) 3.792 24.992 ( -4.750 0.526 2.286) 5.298 25.960 ( 13.906 4.254 -0.168) 14.543 ======================= Grid point 145 (67/115) ======================= q-point: (-0.11 -0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -14.398 -15.850 3.202) 21.651 1.553 ( -17.205 -12.315 -3.452) 21.438 1.768 ( -10.716 1.922 -9.363) 14.359 2.067 ( -1.321 -8.483 11.151) 14.073 2.199 ( -20.513 -19.329 -22.865) 36.293 2.295 ( 9.447 4.481 1.563) 10.573 2.617 ( -3.839 -11.292 -2.902) 12.275 2.664 ( -4.961 0.925 2.876) 5.808 2.866 ( 5.220 7.831 17.917) 20.239 3.003 ( 7.352 -8.222 -3.046) 11.443 3.167 ( 2.316 5.372 4.036) 7.107 3.248 ( 11.192 -3.246 -4.806) 12.605 3.388 ( -3.812 2.260 5.250) 6.870 3.499 ( 6.281 4.797 2.933) 8.430 3.790 ( -1.554 7.928 -2.056) 8.336 3.830 ( 4.513 6.022 -2.330) 7.877 4.067 ( 7.416 2.671 -1.379) 8.002 4.156 ( 4.486 -0.255 -0.171) 4.496 4.459 ( -7.989 2.371 3.608) 9.081 4.464 ( -2.739 4.385 4.591) 6.915 4.534 ( -3.357 2.108 7.955) 8.888 4.585 ( 1.922 2.511 -0.713) 3.241 4.721 ( 2.491 5.984 -3.625) 7.426 4.879 ( 0.200 7.850 -10.778) 13.336 4.952 ( -0.723 -0.659 -3.918) 4.038 5.091 ( -11.284 -0.342 3.281) 11.756 5.229 ( -3.253 -2.144 -0.402) 3.917 5.321 ( 5.320 -2.867 -5.507) 8.176 5.419 ( -0.747 2.502 -2.123) 3.365 5.482 ( 5.704 -2.003 3.924) 7.207 5.635 ( -0.656 0.530 -1.233) 1.494 5.752 ( -0.962 -8.859 1.952) 9.123 6.119 ( 2.234 5.606 -1.585) 6.240 6.188 ( 12.628 0.471 -5.112) 13.632 6.274 ( 0.599 4.574 5.693) 7.327 6.743 ( -2.320 -9.443 2.016) 9.930 6.826 ( -1.817 7.900 10.125) 12.971 6.911 ( 1.616 -5.742 -0.080) 5.965 7.040 ( 1.160 6.104 -14.210) 15.509 7.289 ( 3.231 8.933 -0.416) 9.508 7.478 ( 6.881 6.093 2.240) 9.460 7.578 ( 2.692 4.536 2.690) 5.921 7.889 ( -3.180 -1.904 6.196) 7.220 8.011 ( 0.151 -4.271 -4.249) 6.027 8.196 ( 0.796 -3.967 2.871) 4.961 8.229 ( 1.560 -1.763 -3.891) 4.547 8.476 ( -7.251 0.945 5.070) 8.898 8.561 ( -0.026 -4.175 2.839) 5.049 8.586 ( -3.209 0.735 -0.530) 3.334 8.845 ( 7.120 -6.305 -3.319) 10.073 8.954 ( -0.568 -4.075 7.985) 8.983 9.005 ( -2.778 -3.686 -5.610) 7.265 9.188 ( -3.892 -1.575 4.558) 6.197 9.292 ( -3.638 -1.087 -5.328) 6.542 9.522 ( 0.923 -0.574 -3.335) 3.508 9.577 ( -0.411 4.262 -0.388) 4.299 9.706 ( 0.433 3.309 -2.909) 4.427 9.914 ( 2.523 -3.476 7.783) 8.889 10.107 ( -10.826 -2.674 4.421) 11.995 10.955 ( 5.115 2.179 -8.412) 10.083 11.174 ( 3.449 7.257 -0.537) 8.053 11.473 ( 9.136 1.798 -6.825) 11.545 11.566 ( 9.824 -2.536 4.202) 10.981 11.686 ( 0.378 7.069 -19.031) 20.305 12.573 ( -10.330 -2.108 22.374) 24.733 13.076 ( -6.220 -9.358 -3.710) 11.833 13.645 ( -0.857 -0.462 0.738) 1.221 13.684 ( -0.809 -0.834 -1.063) 1.575 14.723 ( -2.870 0.778 0.540) 3.022 14.774 ( -2.524 -1.796 -0.136) 3.100 14.825 ( -3.197 -2.141 -0.198) 3.853 15.192 ( 4.894 3.318 -1.976) 6.234 20.929 ( 3.384 2.657 4.388) 6.145 21.171 ( -3.865 4.381 0.905) 5.911 21.270 ( -4.269 -1.300 -2.829) 5.284 22.009 ( 0.259 0.236 0.063) 0.356 22.015 ( 0.160 0.180 -0.060) 0.248 22.599 ( 11.576 5.868 -22.830) 26.262 23.365 ( 1.811 -2.722 13.587) 13.975 23.637 ( 0.433 -0.331 -1.250) 1.364 23.874 ( -4.555 -0.461 -3.194) 5.582 24.156 ( 2.737 -5.848 0.274) 6.463 24.403 ( -2.060 1.312 -2.711) 3.649 24.526 ( 2.911 0.013 12.191) 12.534 24.695 ( -1.820 -0.891 2.494) 3.213 24.727 ( -3.883 0.515 -1.999) 4.397 24.860 ( -0.608 -1.422 0.101) 1.550 24.953 ( -2.809 0.105 1.413) 3.146 24.961 ( -2.466 -4.411 0.906) 5.134 25.971 ( 11.000 8.598 -1.089) 14.004 ======================= Grid point 153 (68/115) ======================= q-point: (-0.22 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( -25.289 0.000 -5.381) 25.855 1.333 ( -36.760 0.000 -22.256) 42.973 1.743 ( -17.572 0.000 14.536) 22.806 1.812 ( -9.445 0.000 16.266) 18.809 1.942 ( -20.038 0.000 20.776) 28.865 2.115 ( -11.272 0.000 -11.918) 16.404 2.591 ( -2.739 0.000 3.442) 4.399 2.603 ( 12.772 -0.000 -10.951) 16.824 2.901 ( 15.258 -0.000 -24.109) 28.532 2.974 ( 5.470 -0.000 -6.189) 8.259 3.188 ( 3.583 -0.000 7.000) 7.864 3.266 ( 12.793 -0.000 16.087) 20.554 3.530 ( 3.039 -0.000 4.169) 5.159 3.576 ( -10.853 0.000 0.908) 10.891 3.922 ( 7.956 -0.000 -1.587) 8.112 3.961 ( 5.849 -0.000 0.800) 5.903 4.068 ( 4.312 -0.000 -0.501) 4.341 4.154 ( 3.995 -0.000 0.093) 3.996 4.348 ( 3.823 -0.000 5.787) 6.935 4.464 ( 0.028 -0.000 10.610) 10.610 4.668 ( -1.779 0.000 7.538) 7.745 4.770 ( 3.009 -0.000 -4.290) 5.240 4.895 ( 4.735 -0.000 2.844) 5.524 4.956 ( -6.997 0.000 -0.184) 6.999 5.025 ( 0.611 -0.000 -9.151) 9.171 5.092 ( -7.064 0.000 -7.217) 10.099 5.181 ( 4.359 -0.000 4.877) 6.541 5.412 ( -5.549 0.000 -5.540) 7.842 5.426 ( 2.740 -0.000 -9.941) 10.312 5.455 ( 0.653 -0.000 5.694) 5.732 5.511 ( -7.530 0.000 -4.244) 8.644 5.671 ( -3.985 0.000 -2.370) 4.636 5.926 ( 21.194 -0.000 -13.910) 25.351 6.385 ( -3.578 0.000 11.923) 12.448 6.440 ( 3.201 -0.000 13.757) 14.124 6.538 ( -5.178 0.000 -7.537) 9.144 6.706 ( 10.667 -0.000 1.394) 10.758 6.992 ( -0.201 0.000 10.810) 10.812 7.213 ( -4.463 0.000 -16.035) 16.644 7.473 ( 5.138 -0.000 6.594) 8.359 7.615 ( 11.122 -0.000 -7.313) 13.311 7.686 ( 0.229 -0.000 3.970) 3.977 7.841 ( 5.077 -0.000 -0.400) 5.093 7.964 ( -2.568 0.000 -0.161) 2.573 8.097 ( 0.388 -0.000 11.864) 11.871 8.192 ( -1.772 0.000 -9.165) 9.335 8.350 ( -8.068 0.000 0.540) 8.086 8.443 ( 1.719 -0.000 3.498) 3.897 8.622 ( -6.831 0.000 -1.541) 7.003 8.700 ( -3.329 0.000 -0.216) 3.336 8.928 ( 3.243 -0.000 4.454) 5.509 8.953 ( -1.941 0.000 -5.832) 6.146 9.141 ( -6.232 0.000 5.424) 8.262 9.269 ( -2.068 0.000 -6.273) 6.605 9.536 ( 2.206 -0.000 -3.131) 3.830 9.628 ( -2.892 0.000 6.933) 7.512 9.739 ( 6.728 -0.000 1.741) 6.950 9.908 ( 0.666 -0.000 2.974) 3.048 10.100 ( -8.801 0.000 0.520) 8.817 11.068 ( 10.802 -0.000 -10.084) 14.777 11.267 ( 6.548 -0.000 -13.672) 15.159 11.423 ( -0.694 0.000 9.198) 9.224 11.498 ( 13.225 -0.000 -3.426) 13.661 11.898 ( 2.334 -0.000 -12.661) 12.875 12.525 ( -10.462 0.000 21.473) 23.886 12.860 ( -11.812 0.000 -2.873) 12.156 13.634 ( -0.845 0.000 0.769) 1.143 13.671 ( -0.851 0.000 -1.137) 1.420 14.731 ( -2.824 0.000 1.243) 3.086 14.751 ( -3.199 0.000 0.469) 3.233 14.790 ( -3.954 0.000 -0.724) 4.020 15.241 ( 4.399 -0.000 -4.491) 6.286 20.989 ( 4.054 -0.000 1.374) 4.280 21.178 ( 1.276 -0.000 -6.236) 6.365 21.426 ( -4.742 0.000 7.580) 8.941 22.013 ( 0.308 -0.000 -0.156) 0.345 22.019 ( 0.071 -0.000 0.219) 0.231 22.623 ( 6.588 -0.000 -26.268) 27.082 23.295 ( 2.451 -0.000 10.177) 10.468 23.601 ( 1.820 -0.000 -4.173) 4.553 23.875 ( -5.079 0.000 -2.160) 5.519 24.043 ( 1.471 -0.000 1.627) 2.194 24.435 ( -2.398 0.000 -4.246) 4.876 24.525 ( 4.267 -0.000 15.926) 16.487 24.687 ( -1.462 0.000 1.242) 1.918 24.772 ( -1.213 0.000 1.100) 1.638 24.827 ( -3.068 0.000 4.139) 5.152 24.859 ( -3.076 0.000 -0.096) 3.078 24.965 ( -3.164 0.000 1.255) 3.404 26.122 ( 12.904 -0.000 -0.642) 12.920 ======================= Grid point 154 (69/115) ======================= q-point: (-0.11 -0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( -16.798 -12.227 8.995) 22.640 1.084 ( -30.305 -16.294 -10.018) 35.837 1.635 ( -29.805 -11.081 9.195) 33.101 1.736 ( -3.045 1.160 4.471) 5.533 1.981 ( -7.341 -1.289 -2.248) 7.785 2.131 ( -15.951 -23.166 18.661) 33.754 2.513 ( 7.730 7.412 -2.890) 11.092 2.748 ( 10.497 -0.250 -13.664) 17.232 2.918 ( 7.329 -2.929 -6.780) 10.405 3.098 ( 5.672 -6.351 -10.184) 13.275 3.151 ( 3.556 7.679 6.892) 10.914 3.395 ( -9.220 4.426 3.519) 10.816 3.449 ( 13.071 3.461 7.215) 15.326 3.576 ( 1.512 -2.891 -1.918) 3.785 3.872 ( 0.226 7.964 0.125) 7.968 3.977 ( 1.324 4.734 -0.294) 4.925 4.109 ( 4.344 -1.726 -0.733) 4.731 4.198 ( 3.260 1.304 1.104) 3.681 4.415 ( -3.390 -1.142 3.265) 4.843 4.518 ( 1.590 3.874 4.424) 6.092 4.635 ( 3.592 1.859 1.103) 4.192 4.732 ( -1.685 11.404 5.502) 12.773 4.819 ( 5.338 0.733 1.008) 5.481 4.886 ( -7.921 6.176 -6.120) 11.762 4.961 ( -1.355 1.802 -2.768) 3.570 5.053 ( -1.237 0.625 -4.171) 4.395 5.216 ( 3.401 4.080 0.769) 5.367 5.310 ( -1.953 2.700 -4.975) 5.988 5.387 ( -1.915 -7.156 -2.261) 7.745 5.483 ( 1.743 -1.870 -7.850) 8.256 5.612 ( -4.235 0.083 -0.565) 4.274 5.624 ( 4.122 -8.496 3.639) 10.121 6.106 ( 13.938 -5.287 -10.481) 18.223 6.359 ( -7.179 9.875 -2.838) 12.534 6.428 ( 5.984 2.174 16.523) 17.707 6.557 ( -3.028 -6.310 9.733) 11.988 6.832 ( -0.388 -4.978 1.948) 5.359 6.950 ( 0.418 8.100 3.263) 8.742 7.128 ( 6.763 3.159 -7.397) 10.509 7.454 ( 0.677 8.599 -3.125) 9.174 7.636 ( 9.363 -0.300 1.215) 9.447 7.727 ( 4.121 8.456 0.635) 9.429 7.832 ( -2.748 -0.824 -0.575) 2.926 7.964 ( 1.102 -0.953 3.142) 3.463 8.153 ( -1.749 -3.209 6.840) 7.755 8.179 ( 0.937 -3.485 -5.222) 6.348 8.376 ( -4.996 -6.658 3.030) 8.858 8.494 ( -4.077 -2.633 4.214) 6.427 8.567 ( 0.392 -1.296 -1.392) 1.942 8.743 ( 0.310 -8.155 0.227) 8.164 8.920 ( -2.516 -1.616 -5.649) 6.392 8.967 ( 2.547 -0.083 3.302) 4.171 9.122 ( -5.672 -2.107 3.723) 7.104 9.228 ( -3.145 -0.511 -5.168) 6.071 9.532 ( 1.656 1.316 -3.860) 4.401 9.608 ( -4.059 1.931 3.795) 5.883 9.776 ( 3.755 2.972 -0.478) 4.813 9.925 ( 2.693 0.190 2.065) 3.399 10.017 ( -9.628 0.451 8.720) 12.997 11.044 ( 7.964 5.319 -13.936) 16.910 11.251 ( 1.819 0.842 -15.032) 15.166 11.507 ( 5.238 -3.994 -7.663) 10.105 11.621 ( 10.797 -0.141 1.903) 10.964 11.798 ( 1.436 8.430 -5.492) 10.163 12.525 ( -9.054 -1.534 21.538) 23.414 12.829 ( -9.525 -9.765 -2.129) 13.806 13.633 ( -0.593 -0.340 0.619) 0.922 13.664 ( -0.498 -0.403 -1.091) 1.265 14.708 ( -3.079 0.625 0.527) 3.185 14.725 ( -2.892 -1.013 0.151) 3.068 14.761 ( -3.713 -1.252 0.011) 3.918 15.239 ( 1.748 -0.073 -10.112) 10.262 21.016 ( 4.153 1.714 1.807) 4.843 21.177 ( 0.622 -0.231 -4.910) 4.954 21.278 ( -9.477 9.946 4.621) 14.495 22.014 ( 0.240 0.100 -0.063) 0.268 22.018 ( 0.011 0.161 0.003) 0.161 22.547 ( -0.217 -6.202 -56.544) 56.883 23.384 ( 2.534 -2.256 8.391) 9.051 23.619 ( 1.628 -1.391 -4.897) 5.345 23.882 ( 1.060 0.617 22.114) 22.148 24.100 ( 2.904 -3.934 0.475) 4.913 24.398 ( -1.664 0.778 -1.031) 2.107 24.587 ( -0.252 0.240 4.274) 4.288 24.694 ( 0.598 -0.068 1.642) 1.749 24.740 ( -0.833 2.697 8.811) 9.252 24.833 ( -3.304 -0.446 5.587) 6.506 24.886 ( -0.414 -2.902 6.204) 6.862 24.950 ( 1.403 1.415 6.431) 6.733 26.185 ( 10.206 5.485 -1.118) 11.641 ======================= Grid point 163 (70/115) ======================= q-point: (-0.11 -0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -23.750 0.000 9.582) 25.610 0.630 ( -14.761 0.000 16.432) 22.089 1.362 ( -38.382 0.000 43.864) 58.286 1.577 ( -20.663 0.000 -2.030) 20.763 1.866 ( -4.159 0.000 5.640) 7.008 1.979 ( 2.046 -0.000 7.203) 7.488 2.688 ( 7.140 -0.000 8.275) 10.930 2.728 ( 7.762 -0.000 -16.905) 18.602 2.966 ( 9.795 -0.000 -25.329) 27.157 2.994 ( 3.218 -0.000 -14.169) 14.529 3.259 ( -16.385 0.000 4.174) 16.908 3.375 ( 7.753 -0.000 10.502) 13.053 3.494 ( -2.523 0.000 -1.226) 2.805 3.621 ( 8.128 -0.000 8.474) 11.742 3.941 ( -5.513 0.000 -6.489) 8.514 4.039 ( 7.361 -0.000 -4.870) 8.826 4.110 ( 1.590 -0.000 -1.463) 2.161 4.275 ( 3.490 -0.000 2.014) 4.029 4.443 ( 1.155 -0.000 -2.623) 2.866 4.465 ( -6.632 0.000 1.948) 6.912 4.687 ( -2.652 0.000 -2.130) 3.401 4.783 ( 2.506 -0.000 -6.707) 7.160 4.945 ( 0.833 -0.000 3.211) 3.317 4.948 ( 0.555 -0.000 1.091) 1.224 5.000 ( 3.139 -0.000 -7.116) 7.777 5.005 ( 4.905 -0.000 5.624) 7.462 5.164 ( -7.849 0.000 -11.701) 14.090 5.290 ( -4.089 0.000 7.273) 8.344 5.363 ( -4.821 0.000 -2.054) 5.240 5.498 ( -0.990 0.000 0.295) 1.033 5.522 ( 9.104 -0.000 10.828) 14.147 5.621 ( 6.074 -0.000 -6.945) 9.226 6.181 ( 12.772 -0.000 -8.745) 15.479 6.351 ( -6.675 0.000 6.200) 9.110 6.368 ( -3.371 0.000 -7.496) 8.219 6.752 ( -9.715 0.000 6.992) 11.969 6.803 ( 22.336 -0.000 32.720) 39.617 7.122 ( 9.297 -0.000 -5.396) 10.749 7.208 ( 14.986 -0.000 11.257) 18.743 7.463 ( -6.285 0.000 -7.190) 9.550 7.750 ( 3.601 -0.000 1.565) 3.927 7.756 ( 9.380 -0.000 -7.773) 12.182 7.917 ( 1.931 -0.000 7.636) 7.876 7.994 ( 2.244 -0.000 4.281) 4.834 8.081 ( -6.921 0.000 2.167) 7.252 8.136 ( -3.407 0.000 0.358) 3.426 8.287 ( 0.272 -0.000 10.928) 10.932 8.406 ( -10.586 0.000 -1.050) 10.638 8.582 ( 7.705 -0.000 1.065) 7.778 8.648 ( -1.469 0.000 -1.496) 2.096 8.851 ( -4.834 0.000 -4.604) 6.676 8.979 ( -1.365 0.000 2.393) 2.754 9.076 ( -2.534 0.000 1.017) 2.730 9.180 ( -2.182 0.000 -6.005) 6.389 9.555 ( 1.752 -0.000 -3.279) 3.717 9.600 ( -5.049 0.000 6.415) 8.163 9.839 ( 2.744 -0.000 -0.083) 2.745 9.948 ( -2.444 0.000 -6.756) 7.185 10.017 ( 1.430 -0.000 13.876) 13.949 10.973 ( -22.890 0.000 -51.107) 55.999 11.175 ( 8.029 -0.000 -15.279) 17.261 11.522 ( 3.304 -0.000 14.569) 14.939 11.716 ( 7.054 -0.000 -7.100) 10.009 11.895 ( 6.294 -0.000 1.751) 6.533 12.530 ( -3.522 0.000 17.104) 17.463 12.624 ( -10.761 0.000 -1.012) 10.808 13.628 ( -0.337 0.000 0.526) 0.624 13.655 ( -0.063 0.000 -0.851) 0.853 14.691 ( -2.148 0.000 0.803) 2.293 14.691 ( -2.667 0.000 -0.199) 2.675 14.726 ( -2.638 0.000 -0.125) 2.641 15.097 ( -15.449 0.000 -25.758) 30.036 21.061 ( 2.810 -0.000 -0.529) 2.860 21.180 ( 2.248 -0.000 -2.365) 3.263 21.375 ( -4.411 0.000 3.119) 5.402 21.946 ( -40.039 0.000 -74.664) 84.722 22.019 ( -1.139 0.000 -2.717) 2.947 22.020 ( -0.094 0.000 0.123) 0.155 23.403 ( 1.050 -0.000 3.362) 3.523 23.610 ( 1.601 -0.000 -2.785) 3.212 24.048 ( 11.315 -0.000 24.137) 26.658 24.099 ( 3.678 -0.000 0.598) 3.726 24.384 ( -2.557 0.000 0.945) 2.725 24.567 ( -2.906 0.000 -2.942) 4.135 24.705 ( 0.252 -0.000 0.310) 0.400 24.738 ( -2.355 0.000 0.195) 2.363 24.812 ( -1.490 0.000 -0.182) 1.501 24.879 ( -2.896 0.000 2.514) 3.835 25.315 ( 39.055 -0.000 57.760) 69.724 26.312 ( 7.647 -0.000 -0.936) 7.704 ======================= Grid point 164 (71/115) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.252 0.000 13.833) 13.835 1.471 ( 0.039 -0.000 20.541) 20.541 1.529 ( -4.760 0.000 34.882) 35.205 1.694 ( -6.379 0.000 -3.888) 7.470 2.108 ( -5.835 0.000 -17.565) 18.508 2.213 ( 9.699 -0.000 -26.032) 27.780 2.450 ( 4.554 -0.000 47.646) 47.863 2.512 ( 4.414 -0.000 0.685) 4.467 2.600 ( 2.044 -0.000 -6.584) 6.894 3.061 ( 10.074 -0.000 4.885) 11.196 3.229 ( -6.490 0.000 -9.310) 11.349 3.342 ( -7.080 0.000 17.435) 18.817 3.450 ( -0.443 0.000 -41.309) 41.311 3.660 ( -6.043 0.000 -9.848) 11.554 3.784 ( -0.063 0.000 1.332) 1.333 3.817 ( 1.968 -0.000 -1.069) 2.239 4.179 ( 4.633 -0.000 3.005) 5.522 4.222 ( -4.507 0.000 -0.101) 4.508 4.224 ( 2.607 -0.000 1.107) 2.833 4.245 ( -5.585 0.000 -2.657) 6.185 4.693 ( 0.492 -0.000 6.365) 6.384 4.774 ( 5.493 -0.000 1.396) 5.668 4.847 ( 2.054 -0.000 -8.082) 8.339 4.853 ( -2.525 0.000 -3.625) 4.418 5.023 ( -1.224 0.000 0.620) 1.372 5.066 ( 0.047 -0.000 -1.173) 1.174 5.261 ( 0.332 -0.000 4.983) 4.994 5.333 ( 0.775 -0.000 -2.308) 2.435 5.459 ( -7.765 0.000 3.820) 8.654 5.510 ( 11.282 -0.000 1.991) 11.457 5.622 ( 3.782 -0.000 -2.662) 4.625 5.628 ( -9.118 0.000 0.019) 9.118 6.206 ( -15.946 0.000 0.975) 15.976 6.278 ( 16.159 -0.000 -5.501) 17.069 6.629 ( 20.458 -0.000 10.486) 22.988 6.681 ( -15.218 0.000 3.832) 15.693 6.893 ( 7.154 -0.000 -4.636) 8.524 6.952 ( -13.429 0.000 -8.548) 15.919 7.693 ( -0.626 0.000 0.141) 0.642 7.721 ( 5.407 -0.000 -1.526) 5.618 7.861 ( 2.355 -0.000 2.746) 3.617 7.865 ( -0.167 0.000 0.246) 0.297 8.010 ( -0.318 0.000 -1.405) 1.440 8.029 ( -6.090 0.000 -2.191) 6.472 8.127 ( 1.346 -0.000 3.303) 3.567 8.150 ( -9.095 0.000 2.120) 9.339 8.338 ( -2.892 0.000 15.468) 15.736 8.625 ( 19.318 -0.000 -11.658) 22.563 8.741 ( 0.992 -0.000 3.108) 3.263 8.754 ( -0.444 0.000 0.500) 0.669 8.886 ( 11.649 -0.000 4.137) 12.362 8.937 ( -5.525 0.000 -3.497) 6.539 8.991 ( 4.397 -0.000 -4.442) 6.250 8.995 ( -11.280 0.000 -3.010) 11.675 9.350 ( -2.799 0.000 1.984) 3.430 9.434 ( -0.924 0.000 -5.495) 5.573 9.748 ( -1.888 0.000 3.618) 4.081 9.822 ( 1.971 -0.000 -3.716) 4.206 10.139 ( -1.211 0.000 10.446) 10.516 10.274 ( -2.524 0.000 -0.943) 2.695 11.078 ( 6.432 -0.000 5.220) 8.284 11.311 ( -6.549 0.000 -15.913) 17.208 11.928 ( 0.625 -0.000 9.489) 9.509 12.054 ( 0.170 -0.000 -3.124) 3.128 12.509 ( -2.677 0.000 0.036) 2.677 12.509 ( 1.466 -0.000 0.042) 1.466 13.637 ( -0.477 0.000 0.612) 0.776 13.649 ( 0.501 -0.000 -0.549) 0.743 14.629 ( 0.579 -0.000 0.493) 0.760 14.643 ( -0.460 0.000 -0.863) 0.978 14.684 ( -0.104 0.000 0.578) 0.587 14.694 ( 0.343 -0.000 -0.403) 0.529 20.973 ( -2.842 0.000 2.197) 3.592 21.024 ( 0.338 -0.000 -2.784) 2.804 21.268 ( 6.107 -0.000 1.879) 6.390 21.299 ( -5.893 0.000 -1.170) 6.008 22.018 ( -0.221 0.000 0.012) 0.221 22.019 ( 0.203 -0.000 -0.036) 0.206 23.486 ( -1.396 0.000 3.834) 4.080 23.560 ( 1.606 -0.000 -3.583) 3.927 24.217 ( 6.649 -0.000 1.908) 6.917 24.252 ( -5.368 0.000 -1.594) 5.600 24.384 ( -6.790 0.000 3.535) 7.655 24.461 ( 6.801 -0.000 -4.126) 7.955 24.734 ( 0.562 -0.000 1.000) 1.147 24.746 ( 0.743 -0.000 0.185) 0.765 24.789 ( 1.005 -0.000 0.471) 1.110 24.812 ( -2.266 0.000 -1.415) 2.672 26.326 ( 1.509 -0.000 1.405) 2.062 26.355 ( -0.516 0.000 -1.466) 1.554 ======================= Grid point 165 (72/115) ======================= q-point: ( 0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( -3.245 0.756 18.254) 18.556 1.431 ( 2.128 7.839 -5.480) 9.798 1.672 ( -10.401 -3.100 11.537) 15.839 1.736 ( 3.689 -7.738 28.854) 30.101 2.042 ( -0.408 -3.808 -17.707) 18.116 2.239 ( 7.340 -4.944 -27.613) 28.996 2.536 ( 3.738 3.098 -3.511) 5.991 2.556 ( 4.883 2.893 -4.899) 7.498 2.863 ( 10.888 -13.859 42.386) 45.904 3.075 ( -9.039 0.777 -7.375) 11.692 3.120 ( -5.575 0.423 8.568) 10.230 3.385 ( 9.030 -0.057 7.568) 11.782 3.419 ( 0.887 -4.688 -29.985) 30.363 3.541 ( 1.568 3.216 -6.259) 7.210 3.799 ( -0.865 0.484 0.781) 1.262 3.882 ( 6.957 -3.958 -0.692) 8.034 4.040 ( -6.541 8.151 1.371) 10.541 4.146 ( 0.983 2.520 -0.674) 2.788 4.291 ( -3.576 -3.142 2.736) 5.491 4.353 ( 0.296 -5.775 -0.928) 5.857 4.533 ( -6.802 8.924 0.676) 11.242 4.685 ( 7.215 11.423 -1.068) 13.553 4.891 ( -4.829 -8.451 -2.141) 9.966 4.972 ( 3.663 -8.887 -1.680) 9.758 5.083 ( -0.689 -3.140 -2.227) 3.911 5.108 ( 1.133 1.903 3.010) 3.736 5.216 ( -9.370 5.704 0.605) 10.986 5.344 ( -1.922 -4.584 0.531) 4.999 5.363 ( -1.321 -1.940 -2.935) 3.758 5.500 ( 4.149 8.003 5.862) 10.753 5.603 ( 8.877 5.730 -9.088) 13.936 5.636 ( 3.087 -0.152 3.056) 4.347 6.069 ( -18.701 -0.810 2.094) 18.835 6.326 ( 3.797 4.531 0.626) 5.945 6.560 ( 2.182 5.096 9.364) 10.882 6.712 ( -5.426 0.390 -13.947) 14.970 6.957 ( 0.472 -2.065 1.856) 2.816 7.000 ( 6.887 -3.017 2.051) 7.793 7.456 ( -8.254 19.722 5.496) 22.075 7.651 ( -0.914 12.450 -6.648) 14.143 7.675 ( -13.569 6.947 -0.846) 15.268 7.816 ( -7.020 0.115 -2.446) 7.435 7.861 ( 5.650 12.414 2.961) 13.957 7.888 ( 1.418 -1.426 3.496) 4.033 8.143 ( 1.876 2.699 3.752) 4.988 8.166 ( -1.413 -4.849 1.774) 5.354 8.349 ( -12.334 -4.664 3.080) 13.541 8.681 ( 6.973 4.089 -2.287) 8.401 8.736 ( -2.384 2.821 3.017) 4.769 8.809 ( -0.168 -1.686 -2.405) 2.942 8.912 ( -0.922 -2.193 -3.848) 4.524 8.928 ( 5.072 -3.547 2.189) 6.565 9.136 ( 5.963 -10.101 4.528) 12.574 9.186 ( -0.616 -12.933 -7.409) 14.918 9.399 ( 1.795 -0.377 -2.641) 3.216 9.540 ( 14.208 -5.973 -0.945) 15.442 9.740 ( -2.117 -2.710 5.038) 6.099 9.816 ( -1.694 0.263 -3.028) 3.480 10.163 ( -2.791 1.409 9.792) 10.279 10.364 ( 8.914 -10.728 -9.416) 16.829 11.092 ( -4.521 4.896 1.181) 6.768 11.208 ( 0.429 -0.873 -8.172) 8.230 11.836 ( -7.066 9.133 3.838) 12.169 11.947 ( 1.248 8.466 -0.641) 8.581 12.591 ( -1.852 -9.698 3.097) 10.347 12.713 ( 8.956 -13.318 -0.375) 16.053 13.633 ( -0.625 -0.014 0.451) 0.771 13.651 ( 0.610 -0.090 -0.518) 0.806 14.650 ( 0.993 -1.008 -0.350) 1.458 14.667 ( 3.473 -1.169 0.520) 3.701 14.730 ( 1.280 -4.255 1.022) 4.560 14.774 ( 3.922 -6.226 -3.442) 8.123 20.966 ( -0.723 1.142 2.697) 3.017 21.038 ( 2.649 -1.149 -0.820) 3.002 21.284 ( -4.546 -4.825 -5.006) 8.307 21.350 ( 6.498 -2.164 1.775) 7.075 22.016 ( -0.195 0.077 0.053) 0.216 22.020 ( 0.161 0.068 -0.042) 0.180 23.484 ( -2.534 -0.180 3.676) 4.468 23.567 ( 1.416 -0.784 -3.391) 3.757 24.187 ( -5.083 0.927 -1.992) 5.537 24.291 ( 7.109 0.197 2.593) 7.570 24.340 ( -5.885 -1.175 1.526) 6.192 24.500 ( 5.038 0.604 -3.431) 6.125 24.742 ( -2.721 -1.146 -1.202) 3.188 24.782 ( 2.579 -2.932 1.141) 4.069 24.809 ( 0.092 -1.727 -1.219) 2.116 24.827 ( 3.627 -1.147 1.395) 4.052 26.163 ( -7.677 14.943 8.099) 18.651 26.228 ( -6.460 9.986 -5.049) 12.921 ======================= Grid point 166 (73/115) ======================= q-point: ( 0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -1.608 -1.636 -12.253) 12.466 1.376 ( 6.979 -13.683 9.645) 18.137 1.668 ( 1.798 1.836 1.392) 2.922 1.986 ( 8.051 -2.876 18.645) 20.512 2.035 ( -10.494 -8.299 -5.283) 14.384 2.226 ( 10.073 7.115 -22.241) 25.432 2.565 ( 1.037 -8.678 -10.005) 13.285 2.584 ( 8.142 0.843 -0.118) 8.186 2.944 ( -7.743 0.558 4.846) 9.151 3.045 ( -9.126 0.765 14.261) 16.948 3.329 ( 3.808 -5.031 6.195) 8.842 3.356 ( 3.774 -1.676 -5.734) 7.066 3.431 ( 4.473 6.510 7.829) 11.121 3.614 ( 7.976 -5.451 -5.761) 11.248 3.704 ( -6.579 7.343 0.260) 9.863 3.894 ( -1.485 3.609 0.334) 3.917 4.052 ( 6.680 -5.663 -1.302) 8.853 4.153 ( 2.275 0.207 1.898) 2.970 4.196 ( -3.516 2.681 0.069) 4.422 4.356 ( -5.683 -1.494 1.200) 5.997 4.487 ( 3.824 5.479 1.982) 6.969 4.652 ( 7.123 -4.371 -2.118) 8.621 4.814 ( -10.899 14.572 -1.981) 18.305 4.949 ( -9.180 -3.576 -4.152) 10.691 5.086 ( -0.493 6.839 2.129) 7.180 5.127 ( -1.638 -8.405 -4.181) 9.530 5.169 ( -0.314 -5.241 -4.676) 7.031 5.355 ( 6.433 8.334 -1.650) 10.657 5.435 ( 3.865 0.555 2.115) 4.441 5.465 ( -0.994 -4.643 0.239) 4.755 5.581 ( 2.884 -3.162 -9.617) 10.526 5.711 ( 9.640 -0.329 5.132) 10.926 5.916 ( -20.921 -0.671 13.091) 24.688 6.292 ( 2.548 4.260 0.367) 4.977 6.443 ( -3.036 4.759 -3.447) 6.615 6.677 ( -0.074 11.424 1.353) 11.504 6.765 ( -6.574 13.152 4.818) 15.473 6.928 ( 2.149 5.834 -3.461) 7.115 7.307 ( -6.084 -0.827 -7.514) 9.703 7.459 ( -4.728 4.283 -2.314) 6.786 7.646 ( 2.840 -1.512 0.742) 3.302 7.732 ( 3.109 5.011 2.607) 6.447 7.764 ( -5.221 -2.279 0.315) 5.706 7.975 ( 3.571 -2.981 6.189) 7.742 8.084 ( -4.111 1.847 -1.382) 4.714 8.228 ( -5.140 -4.479 3.668) 7.742 8.379 ( 0.846 -3.545 3.249) 4.882 8.622 ( -1.955 3.477 -2.774) 4.859 8.705 ( -1.191 -1.006 2.438) 2.894 8.803 ( -2.258 2.835 -2.466) 4.384 8.934 ( 2.783 -2.721 0.811) 3.976 9.030 ( 6.294 -0.829 0.771) 6.395 9.281 ( 3.509 -3.883 0.805) 5.295 9.344 ( 2.538 -5.757 -6.050) 8.729 9.417 ( 2.071 -1.339 -4.033) 4.727 9.585 ( 2.416 4.172 -0.332) 4.832 9.714 ( -5.921 2.903 -0.816) 6.644 10.011 ( 11.303 -8.205 10.947) 17.746 10.152 ( -8.704 -6.279 6.714) 12.660 10.608 ( 11.876 -9.547 -14.935) 21.336 10.934 ( -7.555 3.503 -2.988) 8.847 11.218 ( 2.898 1.770 -2.263) 4.081 11.627 ( -7.188 7.627 -0.434) 10.489 11.811 ( 0.906 9.944 1.831) 10.152 12.751 ( -2.802 -9.511 7.578) 12.479 12.990 ( 7.929 -10.440 -2.453) 13.337 13.633 ( -0.490 -0.465 0.381) 0.775 13.663 ( 1.062 -0.718 -0.646) 1.436 14.682 ( 1.222 -1.683 -0.430) 2.124 14.731 ( 4.292 -1.637 1.463) 4.821 14.823 ( 0.590 -4.669 -0.799) 4.773 14.889 ( 3.945 -4.227 -1.411) 5.952 20.948 ( -0.747 1.297 4.550) 4.790 21.088 ( 2.570 -1.148 2.798) 3.968 21.307 ( -2.670 -4.755 -9.281) 10.765 21.472 ( 7.416 -4.326 0.326) 8.591 22.013 ( -0.142 0.081 0.120) 0.203 22.019 ( 0.109 0.158 -0.118) 0.225 23.470 ( -3.430 -0.350 3.076) 4.620 23.589 ( 1.025 -1.515 -2.138) 2.814 24.118 ( -4.387 1.445 -0.261) 4.626 24.318 ( -4.777 -2.210 1.135) 5.384 24.363 ( 8.318 1.245 1.097) 8.482 24.514 ( 2.511 0.565 -2.858) 3.847 24.727 ( -3.388 -1.475 -2.157) 4.279 24.842 ( 0.805 -2.278 -0.153) 2.421 24.874 ( 2.684 -3.656 0.530) 4.566 24.896 ( 4.540 -2.002 1.260) 5.120 25.853 ( -9.384 16.886 14.644) 24.241 25.912 ( -9.205 14.655 -12.201) 21.175 ======================= Grid point 167 (74/115) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( 0.347 -4.265 -5.935) 7.317 1.630 ( -0.164 -3.900 -9.050) 9.856 1.782 ( 11.153 -20.984 0.479) 23.769 2.033 ( -3.960 -7.697 1.645) 8.810 2.121 ( 9.639 6.121 -17.627) 21.002 2.231 ( 10.183 -2.993 18.172) 21.045 2.594 ( 1.443 2.342 -4.055) 4.900 2.705 ( 2.780 -5.855 -2.424) 6.920 2.905 ( -1.360 0.913 9.121) 9.267 3.047 ( -8.751 -3.092 9.553) 13.319 3.251 ( -4.626 3.253 -8.387) 10.115 3.297 ( 3.880 7.767 -1.399) 8.794 3.420 ( -5.626 4.488 0.309) 7.204 3.547 ( -2.960 6.531 2.448) 7.577 3.692 ( 2.819 5.120 1.941) 6.159 3.794 ( -3.933 2.175 -2.852) 5.323 4.118 ( -1.903 5.070 2.922) 6.153 4.163 ( 2.443 -3.592 -3.428) 5.534 4.292 ( 7.252 -1.874 5.581) 9.340 4.364 ( -2.510 -5.142 0.836) 5.783 4.452 ( 3.730 1.579 -0.234) 4.057 4.542 ( -4.426 5.213 -6.367) 9.344 4.816 ( -1.470 3.565 -1.462) 4.124 4.854 ( 3.720 -4.591 -1.305) 6.051 4.954 ( -3.642 2.652 -0.261) 4.513 5.162 ( -2.545 -1.284 -7.325) 7.860 5.239 ( 3.408 2.380 -3.357) 5.344 5.327 ( 2.446 -5.964 1.689) 6.664 5.438 ( 4.205 1.806 -4.590) 6.482 5.555 ( -2.840 -5.938 0.610) 6.610 5.664 ( -3.537 -5.589 1.290) 6.739 5.741 ( -4.148 3.594 14.442) 15.450 5.900 ( -3.244 -8.397 2.717) 9.403 6.193 ( 7.045 14.378 5.735) 17.008 6.354 ( -6.894 15.303 3.385) 17.122 6.393 ( 0.947 -0.856 -10.087) 10.167 6.679 ( 1.133 0.686 -0.364) 1.374 6.844 ( -2.094 4.803 -2.397) 5.762 7.207 ( -3.879 1.932 -3.988) 5.889 7.459 ( 1.526 0.437 3.685) 4.012 7.513 ( -4.106 5.598 -6.769) 9.697 7.713 ( -8.159 -2.543 7.088) 11.103 7.897 ( 5.603 -4.700 1.923) 7.562 7.998 ( 1.903 0.648 -1.344) 2.419 8.143 ( -0.460 -7.306 3.422) 8.081 8.255 ( -3.683 -2.801 3.525) 5.817 8.419 ( 0.371 2.601 1.810) 3.191 8.563 ( -0.400 0.348 0.619) 0.815 8.689 ( -2.567 2.892 -0.885) 3.967 8.778 ( 0.633 -4.847 -0.197) 4.893 9.035 ( 4.187 -2.583 3.849) 6.247 9.075 ( 4.211 0.146 -1.943) 4.639 9.310 ( 1.994 3.387 -0.507) 3.963 9.396 ( 1.352 -0.547 -3.963) 4.223 9.440 ( 0.502 -1.820 -5.416) 5.736 9.538 ( 1.810 3.926 -2.239) 4.869 9.633 ( -5.104 -1.024 0.538) 5.233 10.099 ( 2.677 1.893 6.355) 7.151 10.333 ( -3.321 -11.283 8.025) 14.238 10.690 ( 2.850 0.249 -14.734) 15.010 10.926 ( 2.316 -5.195 1.462) 5.873 11.178 ( 0.805 3.210 -3.086) 4.525 11.472 ( -3.594 4.623 -4.007) 7.095 11.673 ( -0.048 7.908 2.815) 8.394 12.882 ( -3.984 -6.335 11.169) 13.445 13.164 ( 5.563 -5.153 -5.438) 9.331 13.643 ( -0.266 -0.971 0.583) 1.163 13.686 ( 1.198 -0.943 -0.741) 1.695 14.718 ( 0.871 -1.431 -0.178) 1.685 14.798 ( 3.134 -1.023 1.079) 3.469 14.869 ( 0.315 -2.607 -3.822) 4.638 14.967 ( 1.801 -1.270 3.078) 3.786 20.949 ( 0.253 0.707 6.583) 6.626 21.131 ( 0.186 -0.850 3.908) 4.004 21.316 ( -1.614 -2.478 -7.513) 8.074 21.623 ( 8.026 -5.841 -3.873) 10.655 22.011 ( -0.048 0.165 0.047) 0.178 22.018 ( 0.156 -0.033 -0.209) 0.263 23.458 ( -3.320 -0.912 2.441) 4.221 23.615 ( 0.209 -1.514 -0.778) 1.715 24.065 ( -3.016 1.265 3.514) 4.800 24.315 ( -3.224 -1.973 -2.127) 4.338 24.419 ( 8.387 2.464 2.700) 9.149 24.513 ( 0.619 0.079 -2.443) 2.521 24.712 ( -3.538 -1.654 -2.458) 4.615 24.880 ( 0.491 -1.646 -0.306) 1.745 24.945 ( 2.114 -1.759 0.490) 2.793 24.973 ( 3.527 -1.769 0.591) 3.990 25.556 ( -7.978 12.675 -8.603) 17.272 25.580 ( -7.172 12.026 8.054) 16.153 ======================= Grid point 168 (75/115) ======================= q-point: ( 0.44 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -10.766 0.760 -17.444) 20.512 1.794 ( 4.036 -3.109 -0.737) 5.148 2.031 ( 6.373 0.912 -4.371) 7.782 2.195 ( 0.332 -13.490 3.802) 14.019 2.270 ( 13.418 -13.228 -5.478) 19.622 2.423 ( 8.594 -4.159 22.234) 24.197 2.503 ( 0.877 8.486 -1.705) 8.700 2.779 ( -0.202 -1.825 -0.447) 1.889 2.947 ( 4.409 -1.344 3.258) 5.644 2.986 ( -6.538 1.705 1.597) 6.943 3.158 ( -4.651 0.135 -4.189) 6.260 3.229 ( -5.364 2.029 -2.424) 6.226 3.279 ( -1.307 8.523 -10.496) 13.584 3.372 ( -6.567 3.954 4.277) 8.778 3.585 ( 0.479 5.010 -7.784) 9.270 3.746 ( 1.787 3.457 2.302) 4.521 4.072 ( 2.186 -0.417 3.097) 3.813 4.150 ( -2.527 2.334 -0.637) 3.498 4.274 ( -3.277 3.653 -3.610) 6.092 4.414 ( -6.581 -4.178 1.001) 7.859 4.476 ( 5.042 4.185 0.228) 6.557 4.569 ( 3.921 -6.797 0.155) 7.849 4.710 ( 0.845 3.983 0.461) 4.097 4.904 ( 2.509 4.385 -4.454) 6.735 4.993 ( -2.664 -8.948 4.550) 10.386 5.146 ( -3.621 2.750 0.834) 4.623 5.241 ( 4.479 -1.359 -1.152) 4.821 5.406 ( -2.101 -0.145 -5.168) 5.581 5.435 ( -2.840 -0.257 4.147) 5.033 5.613 ( 6.402 -3.158 0.713) 7.174 5.700 ( -4.711 -7.125 13.131) 15.665 5.797 ( -2.854 -3.553 0.021) 4.557 5.905 ( -2.849 4.467 -2.908) 6.043 6.081 ( 3.207 7.369 -4.868) 9.397 6.168 ( 7.037 5.044 7.320) 11.338 6.376 ( -0.020 -0.498 -9.186) 9.200 6.728 ( 1.479 -3.736 -2.972) 4.997 6.737 ( -4.209 2.708 -0.668) 5.049 7.166 ( -0.263 0.771 1.415) 1.633 7.356 ( -2.000 5.306 -1.794) 5.948 7.461 ( 0.071 2.602 1.770) 3.148 7.747 ( -6.273 -4.361 9.260) 12.005 7.973 ( -0.135 -2.044 0.303) 2.071 8.058 ( 3.137 -3.303 0.467) 4.579 8.183 ( -2.750 -0.001 -0.979) 2.919 8.273 ( 2.930 2.488 2.125) 4.392 8.377 ( -0.596 0.047 0.258) 0.651 8.587 ( -0.938 -2.397 1.921) 3.211 8.662 ( -0.486 -0.598 0.874) 1.165 8.875 ( 1.479 -4.674 1.309) 5.074 9.038 ( 1.333 3.094 -3.190) 4.639 9.144 ( 2.990 -1.621 1.220) 3.613 9.266 ( 0.361 2.284 -0.918) 2.488 9.356 ( 0.158 2.265 -2.076) 3.076 9.449 ( -2.127 -1.473 -2.184) 3.386 9.484 ( 0.902 2.691 -4.266) 5.124 9.634 ( -1.755 -1.097 1.123) 2.354 10.113 ( 2.330 1.386 2.418) 3.632 10.420 ( -6.459 -2.220 9.334) 11.566 10.687 ( 4.886 -1.992 -15.016) 15.916 11.003 ( 1.389 0.760 7.317) 7.486 11.174 ( 1.803 -4.168 -5.001) 6.755 11.361 ( -1.403 4.066 -7.359) 8.524 11.598 ( 0.944 2.730 2.116) 3.581 12.958 ( -5.062 -2.962 13.233) 14.474 13.228 ( 3.553 -0.470 -7.040) 7.899 13.658 ( -0.272 -0.761 0.603) 1.008 13.704 ( 0.714 -0.305 -0.672) 1.027 14.738 ( 0.043 -0.372 0.400) 0.548 14.811 ( 0.051 0.429 -1.568) 1.626 14.919 ( 1.785 -2.224 -0.991) 3.019 14.987 ( 0.335 0.181 1.987) 2.023 20.977 ( 1.695 0.118 7.613) 7.800 21.138 ( -1.711 -0.122 -0.531) 1.795 21.306 ( -2.536 -0.421 -0.092) 2.572 21.768 ( 7.551 -5.811 -10.961) 14.523 22.008 ( 0.027 0.161 -0.091) 0.186 22.022 ( 0.321 -0.312 -0.630) 0.773 23.456 ( -2.429 -1.227 1.581) 3.147 23.631 ( -0.436 -0.725 0.005) 0.846 24.054 ( -1.042 0.220 9.048) 9.111 24.297 ( -2.247 -0.303 -5.100) 5.581 24.455 ( 7.578 3.915 3.205) 9.112 24.515 ( -0.326 -1.499 -1.240) 1.973 24.693 ( -3.782 -1.212 -2.686) 4.794 24.899 ( 0.239 -0.279 -0.205) 0.420 24.952 ( 0.519 3.113 -1.435) 3.467 25.001 ( -0.290 -0.280 0.934) 1.017 25.318 ( -5.713 8.322 3.008) 10.533 25.450 ( 0.486 -0.590 -2.474) 2.589 ======================= Grid point 169 (76/115) ======================= q-point: (-0.44 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -8.422 -8.032 -9.597) 15.085 1.754 ( 1.275 7.070 -1.207) 7.285 1.978 ( -2.127 8.847 5.288) 10.524 2.276 ( -5.401 7.557 -5.818) 10.960 2.329 ( 1.075 11.894 -8.050) 14.402 2.420 ( 1.564 -2.208 0.471) 2.747 2.729 ( 6.463 8.521 6.797) 12.672 2.817 ( 5.146 -14.236 17.211) 22.921 2.905 ( -13.218 -0.987 -8.851) 15.938 2.998 ( 6.578 -1.380 -8.055) 10.491 3.030 ( -2.270 -3.671 -3.720) 5.698 3.194 ( 3.288 -3.587 -0.759) 4.924 3.289 ( 1.853 -4.784 -3.129) 6.009 3.359 ( 1.824 -2.741 4.389) 5.487 3.569 ( 3.438 -4.775 -7.175) 9.279 3.730 ( 1.541 1.984 4.276) 4.959 4.102 ( -0.758 1.863 3.197) 3.777 4.138 ( -2.329 -1.815 -3.785) 4.801 4.206 ( -2.064 -4.234 4.941) 6.826 4.354 ( 1.037 5.996 -0.170) 6.087 4.479 ( -1.608 -1.728 4.798) 5.347 4.642 ( -3.673 4.058 -4.588) 7.142 4.706 ( 2.087 -4.824 -0.595) 5.289 4.853 ( 1.555 2.618 1.277) 3.302 4.993 ( -6.338 4.625 5.465) 9.562 5.141 ( -3.960 -4.807 4.753) 7.835 5.238 ( -3.742 3.792 -6.311) 8.259 5.336 ( 0.209 0.157 0.776) 0.819 5.451 ( 1.299 -0.818 4.675) 4.920 5.615 ( -6.807 8.157 -0.561) 10.639 5.789 ( 6.454 1.405 1.749) 6.832 5.804 ( 3.300 1.028 3.301) 4.779 5.966 ( 2.952 -11.980 3.330) 12.780 6.035 ( 10.997 1.670 -13.634) 17.596 6.234 ( -0.274 -4.312 2.227) 4.861 6.385 ( 0.932 -5.284 -9.415) 10.837 6.668 ( -3.665 1.014 -0.182) 3.806 6.781 ( 0.816 -3.122 -3.446) 4.721 7.176 ( 0.284 -0.346 2.815) 2.851 7.275 ( -1.151 3.620 3.279) 5.018 7.465 ( 2.327 -1.892 2.246) 3.747 7.739 ( -4.226 3.393 9.519) 10.953 7.959 ( -4.284 0.352 0.064) 4.299 8.105 ( -1.311 3.620 -1.738) 4.224 8.167 ( 3.826 -3.209 -0.101) 4.995 8.307 ( 7.700 0.562 -1.158) 7.807 8.381 ( -0.204 -1.029 0.104) 1.055 8.602 ( -4.987 -1.699 1.131) 5.388 8.664 ( -0.922 0.481 0.948) 1.407 8.921 ( 0.586 2.603 -2.444) 3.619 8.995 ( 0.226 -0.550 -0.291) 0.662 9.179 ( -2.158 -1.565 -2.067) 3.373 9.242 ( 2.928 0.864 1.540) 3.420 9.329 ( -1.315 2.014 0.924) 2.577 9.439 ( 0.420 1.641 -2.738) 3.220 9.456 ( -1.329 -2.703 -1.188) 3.238 9.625 ( -1.093 0.890 1.897) 2.363 10.121 ( 1.754 0.580 1.819) 2.592 10.384 ( -6.328 3.447 10.792) 12.976 10.700 ( 6.406 0.345 -15.190) 16.489 11.046 ( 0.082 -2.722 6.731) 7.261 11.228 ( 0.811 0.635 -13.095) 13.135 11.300 ( 1.106 -3.278 -1.079) 3.624 11.611 ( 2.343 -1.626 0.784) 2.958 12.977 ( -5.663 0.278 13.501) 14.644 13.202 ( 1.578 3.638 -6.551) 7.658 13.662 ( -0.402 0.052 0.292) 0.499 13.701 ( -0.105 0.769 -0.481) 0.913 14.735 ( -0.419 0.612 0.724) 1.037 14.797 ( -0.808 0.183 -0.628) 1.040 14.909 ( -2.020 2.444 0.373) 3.192 15.028 ( 2.298 -2.867 -2.007) 4.186 21.028 ( 3.202 -0.170 7.511) 8.167 21.107 ( -1.784 0.474 -4.474) 4.840 21.277 ( -5.368 0.660 4.843) 7.259 21.856 ( 5.442 -3.609 -19.028) 20.118 22.007 ( 0.042 -0.028 -0.052) 0.073 22.026 ( 0.217 -0.204 -1.681) 1.707 23.461 ( -0.955 -0.779 0.803) 1.471 23.628 ( -0.730 0.533 0.105) 0.910 24.102 ( 1.063 -1.037 12.282) 12.372 24.247 ( -0.850 1.737 -6.391) 6.677 24.459 ( 4.268 3.201 2.580) 5.926 24.537 ( -1.741 -1.789 -1.645) 2.989 24.667 ( -1.241 -0.171 -1.412) 1.888 24.892 ( -0.399 0.519 -0.228) 0.693 24.904 ( -0.059 1.364 3.648) 3.895 24.999 ( -1.251 0.431 1.018) 1.670 25.180 ( -3.966 5.463 8.851) 11.132 25.565 ( 6.159 -9.737 -6.863) 13.411 ======================= Grid point 170 (77/115) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.286 ( -4.381 -13.224 0.879) 13.958 1.591 ( -5.194 13.555 0.131) 14.517 1.781 ( -6.624 14.300 12.072) 19.852 1.887 ( -6.624 16.643 -11.186) 21.118 2.137 ( 6.825 9.115 -9.649) 14.925 2.455 ( -2.898 -2.828 -3.940) 5.650 2.645 ( -1.555 5.530 -0.262) 5.750 2.786 ( -4.774 3.658 -6.647) 8.964 2.942 ( -2.234 -1.636 2.680) 3.854 3.078 ( -0.906 -0.677 1.951) 2.255 3.156 ( 4.892 -3.164 1.925) 6.135 3.306 ( 3.385 -6.068 2.002) 7.231 3.400 ( 8.364 -4.659 -3.122) 10.070 3.528 ( 1.881 -11.172 3.463) 11.846 3.693 ( -4.263 4.836 4.712) 7.985 3.723 ( 5.826 -8.958 -0.743) 10.712 4.082 ( 3.275 2.401 2.128) 4.585 4.168 ( -0.861 -4.723 -2.819) 5.567 4.279 ( -6.259 -7.865 6.379) 11.905 4.364 ( -0.915 -2.940 -0.897) 3.207 4.466 ( -3.010 0.785 1.314) 3.377 4.565 ( 5.192 -2.115 -4.225) 7.021 4.727 ( -5.377 3.845 3.956) 7.704 4.843 ( -0.838 -1.681 3.831) 4.267 4.941 ( 5.791 3.217 0.392) 6.636 5.082 ( -5.347 0.835 2.878) 6.130 5.210 ( -1.893 -1.377 -4.434) 5.014 5.339 ( -2.009 0.238 0.656) 2.127 5.432 ( -5.465 2.753 -4.580) 7.644 5.491 ( 1.697 1.821 4.786) 5.395 5.701 ( 6.324 10.366 -0.420) 12.150 5.856 ( -1.847 0.625 2.202) 2.941 6.098 ( 15.818 2.248 -15.124) 22.000 6.153 ( 1.193 -4.258 8.625) 9.693 6.326 ( -2.785 -9.853 -2.359) 10.507 6.526 ( -1.036 -16.251 -7.930) 18.112 6.645 ( 3.181 -0.677 -3.190) 4.556 6.846 ( -0.127 -4.421 -1.759) 4.760 7.147 ( -0.648 2.941 2.599) 3.978 7.284 ( 1.908 0.220 12.290) 12.439 7.539 ( 0.183 -3.107 -2.595) 4.052 7.700 ( 1.837 0.440 9.844) 10.023 7.914 ( -2.596 0.824 -1.774) 3.251 8.007 ( -1.566 4.883 -1.133) 5.252 8.215 ( 1.445 2.497 -3.146) 4.268 8.313 ( 6.900 4.525 -1.862) 8.459 8.447 ( 0.322 -4.412 -0.635) 4.469 8.574 ( -4.658 -0.532 1.073) 4.809 8.653 ( 0.992 -0.089 1.872) 2.120 8.831 ( -0.384 4.300 -5.524) 7.011 9.026 ( 0.648 -0.068 2.837) 2.911 9.107 ( -9.218 1.512 -2.429) 9.652 9.270 ( 2.801 3.005 3.148) 5.176 9.306 ( -2.083 0.809 4.867) 5.356 9.400 ( 0.021 1.033 -3.116) 3.283 9.500 ( -1.931 -3.805 1.580) 4.550 9.633 ( 2.293 -1.569 0.264) 2.791 10.143 ( 2.370 0.392 2.532) 3.490 10.270 ( -9.009 6.184 11.327) 15.739 10.706 ( 9.900 1.813 -14.500) 17.651 11.053 ( -2.535 4.008 -6.427) 7.988 11.200 ( -0.387 -6.208 -8.332) 10.398 11.412 ( 4.027 -5.852 1.405) 7.241 11.697 ( 2.808 -5.473 0.673) 6.188 12.935 ( -5.358 3.982 10.866) 12.753 13.097 ( -1.125 7.307 -3.625) 8.234 13.653 ( -0.312 0.557 -0.121) 0.650 13.678 ( -0.617 1.289 -0.245) 1.450 14.714 ( -1.143 1.312 0.205) 1.752 14.785 ( -1.259 0.466 1.549) 2.050 14.836 ( -3.236 3.132 -0.070) 4.504 15.066 ( 0.896 -0.783 -6.021) 6.138 21.068 ( -0.582 0.731 -4.822) 4.912 21.091 ( 4.044 -0.403 5.729) 7.025 21.219 ( -8.186 0.718 4.665) 9.449 21.834 ( 1.579 1.123 -25.949) 26.021 22.009 ( 0.038 -0.239 0.119) 0.270 22.021 ( -0.129 0.090 -0.887) 0.901 23.469 ( 0.581 -0.117 1.134) 1.280 23.604 ( -0.579 1.512 -0.326) 1.651 24.154 ( 0.790 0.554 0.278) 1.004 24.218 ( 2.956 0.867 4.539) 5.485 24.456 ( 1.966 1.961 2.971) 4.067 24.509 ( -5.695 -1.202 -5.155) 7.776 24.673 ( 2.576 0.702 0.854) 2.803 24.868 ( -0.444 2.106 0.708) 2.266 24.930 ( -2.020 -0.874 3.599) 4.219 24.967 ( -2.963 1.495 0.981) 3.461 25.191 ( 3.826 -4.660 19.487) 20.399 25.791 ( 7.715 -12.754 -7.531) 16.701 ======================= Grid point 171 (78/115) ======================= q-point: (-0.22 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( -8.946 17.727 -0.276) 19.858 1.399 ( -13.345 -2.996 14.055) 19.611 1.587 ( 4.811 8.617 5.763) 11.428 1.810 ( 2.551 -0.768 11.201) 11.513 2.075 ( 10.629 3.104 -10.938) 15.564 2.405 ( -10.757 -3.043 -16.858) 20.228 2.530 ( -3.663 6.692 6.365) 9.936 2.657 ( 2.907 5.567 -12.813) 14.269 2.865 ( -11.986 11.072 22.689) 27.947 3.028 ( 6.560 6.906 -5.011) 10.763 3.248 ( 1.233 -2.279 1.774) 3.140 3.377 ( -6.683 -4.169 3.056) 8.449 3.509 ( 0.639 -3.744 -3.899) 5.443 3.626 ( 5.338 -0.677 1.465) 5.577 3.708 ( 0.703 -7.776 -0.901) 7.860 3.890 ( 0.576 -5.782 0.978) 5.892 4.069 ( -0.582 2.503 -4.066) 4.810 4.214 ( -5.723 -3.963 -2.770) 7.492 4.290 ( -1.788 -4.854 -4.763) 7.032 4.383 ( 2.542 2.331 -2.336) 4.166 4.542 ( -4.795 -0.618 -0.318) 4.845 4.593 ( -4.096 -3.307 3.745) 6.461 4.797 ( 13.242 -14.109 -1.246) 19.390 4.865 ( 4.709 -0.103 0.497) 4.736 4.990 ( 3.837 0.253 6.444) 7.504 5.114 ( -0.080 -0.882 6.528) 6.588 5.152 ( -1.068 4.040 -3.360) 5.362 5.250 ( -4.721 -0.545 1.689) 5.044 5.447 ( -2.290 3.365 1.635) 4.386 5.476 ( 2.112 -4.705 -1.546) 5.384 5.569 ( 3.577 9.789 -5.458) 11.765 5.789 ( -6.782 1.390 -1.288) 7.042 6.114 ( 12.601 5.661 -6.348) 15.203 6.249 ( 1.432 -2.715 7.564) 8.163 6.449 ( -1.980 -9.785 -10.587) 14.551 6.724 ( -0.775 -5.748 4.315) 7.229 6.804 ( -1.655 -6.483 5.593) 8.720 6.878 ( 4.307 -15.454 -8.421) 18.118 7.172 ( 7.811 4.364 8.117) 12.081 7.334 ( 0.422 -4.887 6.410) 8.072 7.613 ( 1.954 -6.648 1.235) 7.038 7.773 ( 0.462 1.208 0.525) 1.396 7.859 ( 2.422 1.683 -5.904) 6.600 7.963 ( -1.377 -1.951 6.533) 6.956 8.125 ( -2.768 3.482 -6.019) 7.485 8.290 ( 5.202 4.952 -1.763) 7.396 8.423 ( -1.769 5.580 -1.332) 6.004 8.585 ( -0.284 -3.037 2.500) 3.944 8.697 ( 4.806 1.244 3.903) 6.314 8.799 ( 2.277 -2.248 -3.581) 4.802 8.945 ( -9.499 3.659 0.682) 10.202 9.043 ( -2.185 1.348 -0.170) 2.573 9.204 ( 1.044 8.770 5.168) 10.233 9.244 ( -3.878 4.532 4.422) 7.425 9.395 ( -1.064 -1.326 -2.165) 2.753 9.566 ( -1.837 -5.412 2.064) 6.077 9.703 ( 3.030 -2.830 -0.604) 4.190 10.094 ( -2.606 10.204 6.906) 12.594 10.175 ( -7.038 -3.207 2.469) 8.119 10.652 ( 3.704 9.917 -18.549) 21.357 10.944 ( 3.741 2.115 -7.607) 8.737 11.296 ( -1.692 -8.704 -7.297) 11.484 11.569 ( 5.734 -7.027 3.891) 9.869 11.830 ( 1.738 -7.550 0.687) 7.777 12.816 ( -3.356 9.168 3.992) 10.547 12.926 ( -5.392 9.546 1.410) 11.054 13.643 ( 0.067 0.383 -0.339) 0.516 13.653 ( -0.580 0.916 0.048) 1.085 14.678 ( -1.790 1.314 -0.073) 2.222 14.752 ( -4.165 1.916 -0.422) 4.604 14.763 ( -1.226 2.681 2.547) 3.896 14.999 ( -2.458 5.268 -9.847) 11.435 21.041 ( 0.082 0.177 -4.389) 4.393 21.134 ( -8.746 -0.244 -0.202) 8.752 21.157 ( 3.779 0.543 5.687) 6.850 21.665 ( -3.278 7.356 -22.732) 24.116 22.014 ( 0.077 -0.191 0.070) 0.217 22.018 ( -0.060 -0.079 -0.131) 0.164 23.482 ( 0.758 0.286 2.547) 2.673 23.573 ( 0.465 1.495 -1.639) 2.266 24.140 ( 2.377 1.053 -2.053) 3.313 24.267 ( 3.482 0.382 5.618) 6.621 24.450 ( -1.489 0.550 1.916) 2.488 24.454 ( -4.034 -0.345 -4.510) 6.061 24.691 ( 2.913 0.696 1.119) 3.198 24.825 ( -0.987 2.602 1.098) 2.992 24.885 ( -2.534 3.255 -0.158) 4.128 24.909 ( -4.235 1.373 0.093) 4.453 25.551 ( 11.655 -18.128 26.062) 33.819 26.047 ( 7.358 -12.628 -6.326) 15.926 ======================= Grid point 172 (79/115) ======================= q-point: (-0.11 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.058 ( 5.605 -1.510 19.049) 19.914 1.379 ( -10.562 -3.919 20.727) 23.590 1.553 ( -1.362 4.964 17.866) 18.593 1.804 ( 2.191 7.215 -1.747) 7.740 2.170 ( 9.642 -2.920 -8.952) 13.477 2.254 ( -12.431 0.583 -10.928) 16.562 2.447 ( 2.575 4.997 3.336) 6.537 2.541 ( -4.339 8.501 0.693) 9.569 2.625 ( -4.439 7.715 15.256) 17.663 2.984 ( 11.583 6.037 0.620) 13.076 3.256 ( -5.932 -2.879 0.383) 6.605 3.377 ( -7.108 -1.354 4.271) 8.402 3.611 ( 0.251 -7.894 -13.856) 15.949 3.647 ( 0.400 0.398 -17.560) 17.569 3.790 ( 0.787 -2.173 1.434) 2.720 3.855 ( -6.878 3.529 0.469) 7.745 4.078 ( 4.580 -3.675 -3.186) 6.681 4.181 ( -7.872 -4.225 -3.840) 9.724 4.314 ( -0.270 3.960 -1.000) 4.093 4.346 ( 0.913 4.447 0.078) 4.540 4.531 ( 3.802 -6.106 0.254) 7.197 4.699 ( -4.757 -12.519 -3.220) 13.774 4.875 ( 5.635 10.141 0.176) 11.603 4.950 ( 0.684 5.531 -0.734) 5.621 5.031 ( 2.681 0.841 0.303) 2.826 5.106 ( 0.885 -0.465 7.162) 7.232 5.260 ( 7.439 -11.862 -3.935) 14.544 5.301 ( 3.401 1.885 2.578) 4.666 5.334 ( -2.917 1.022 5.459) 6.273 5.478 ( -1.679 0.564 -1.774) 2.507 5.574 ( 1.219 -3.803 -0.953) 4.106 5.706 ( -9.246 -1.945 -2.866) 9.873 6.154 ( 15.376 2.087 -5.815) 16.571 6.341 ( 2.083 -1.040 1.607) 2.829 6.433 ( -8.481 1.168 11.027) 13.960 6.751 ( 6.431 -4.756 -9.861) 12.697 6.898 ( -3.158 4.894 4.776) 7.532 7.099 ( -7.972 -5.177 -5.451) 10.958 7.416 ( 12.071 -25.554 12.063) 30.728 7.542 ( 11.732 -11.245 4.189) 16.782 7.685 ( 5.604 2.374 -4.725) 7.705 7.775 ( 2.416 -7.142 2.030) 7.808 7.904 ( -0.296 -5.247 -3.479) 6.302 8.038 ( -10.920 -6.196 -5.777) 13.821 8.055 ( 1.735 -1.401 7.135) 7.476 8.217 ( -3.496 4.651 -0.040) 5.818 8.343 ( 12.499 8.385 3.744) 15.510 8.629 ( -3.721 -2.178 2.482) 4.975 8.758 ( 7.587 -0.557 2.900) 8.142 8.785 ( -4.788 7.526 0.877) 8.963 8.844 ( 2.769 2.766 1.042) 4.050 8.970 ( -3.544 2.106 -1.479) 4.380 9.053 ( -2.404 8.848 2.936) 9.628 9.162 ( 4.284 7.596 1.411) 8.834 9.399 ( -4.493 -3.112 -2.585) 6.046 9.592 ( -9.469 0.470 -2.039) 9.697 9.746 ( -0.573 -0.701 1.234) 1.530 9.899 ( -3.192 9.123 -7.681) 12.346 10.154 ( -5.488 0.195 4.458) 7.073 10.385 ( -3.359 10.671 -6.841) 13.113 10.993 ( 8.449 -0.474 -0.857) 8.505 11.363 ( -2.808 -5.649 -13.241) 14.667 11.775 ( 5.796 -8.520 7.918) 12.995 11.965 ( 0.893 -7.341 -0.473) 7.410 12.626 ( -1.069 11.098 -0.295) 11.153 12.693 ( -8.873 11.271 1.521) 14.425 13.640 ( -0.479 0.141 0.576) 0.762 13.643 ( 0.622 -0.034 -0.525) 0.814 14.645 ( -1.901 0.496 0.006) 1.965 14.683 ( -3.780 1.517 -0.745) 4.140 14.714 ( -1.086 2.783 1.564) 3.372 14.802 ( -3.699 9.351 -5.813) 11.615 21.028 ( -1.793 0.068 -3.415) 3.858 21.040 ( -7.032 0.340 -0.813) 7.087 21.212 ( 5.589 0.499 2.454) 6.124 21.430 ( -5.596 7.719 -7.842) 12.345 22.017 ( 0.164 -0.039 -0.040) 0.174 22.019 ( -0.158 -0.116 0.014) 0.197 23.487 ( -0.717 0.532 3.890) 3.992 23.559 ( 1.906 0.534 -3.266) 3.819 24.160 ( 4.643 0.329 0.670) 4.703 24.290 ( -1.670 0.066 1.915) 2.542 24.425 ( 1.193 -0.465 -4.642) 4.815 24.429 ( -3.235 0.485 2.678) 4.228 24.714 ( 2.684 0.157 1.187) 2.939 24.776 ( -0.979 2.995 1.440) 3.464 24.811 ( -1.394 2.425 -0.955) 2.955 24.852 ( -3.686 0.818 -0.922) 3.887 26.067 ( 12.327 -18.693 13.239) 26.013 26.266 ( 4.747 -8.623 -3.378) 10.406 ======================= Grid point 174 (80/115) ======================= q-point: ( 0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( -3.055 0.000 18.789) 19.036 1.445 ( -4.153 0.000 -22.792) 23.167 1.595 ( -6.062 0.000 34.051) 34.587 1.808 ( 1.222 -0.000 6.567) 6.680 1.997 ( 4.020 -0.000 -10.449) 11.196 2.103 ( 2.174 -0.000 -8.784) 9.049 2.612 ( 8.964 -0.000 -17.451) 19.618 2.632 ( 8.918 -0.000 -2.906) 9.379 2.933 ( -13.516 0.000 -12.228) 18.226 3.077 ( 19.031 -0.000 43.886) 47.835 3.099 ( -7.833 0.000 12.334) 14.611 3.266 ( 14.783 -0.000 -41.506) 44.060 3.549 ( -1.777 0.000 -0.705) 1.912 3.564 ( 7.150 -0.000 13.872) 15.607 3.835 ( 4.063 -0.000 -0.234) 4.069 3.868 ( 4.630 -0.000 -0.237) 4.636 4.098 ( -5.387 0.000 -1.194) 5.517 4.159 ( -2.440 0.000 2.625) 3.584 4.209 ( -3.117 0.000 1.739) 3.569 4.317 ( 2.248 -0.000 3.847) 4.456 4.611 ( -9.541 0.000 4.433) 10.521 4.679 ( -5.876 0.000 -5.244) 7.875 4.815 ( 2.566 -0.000 -8.510) 8.888 4.953 ( 7.348 -0.000 -1.067) 7.425 5.057 ( -6.291 0.000 3.675) 7.285 5.106 ( 2.088 -0.000 -3.920) 4.441 5.228 ( 0.545 -0.000 1.909) 1.986 5.263 ( -4.586 0.000 -3.952) 6.054 5.312 ( -3.954 0.000 -0.422) 3.976 5.599 ( -12.201 0.000 15.732) 19.909 5.609 ( 3.367 -0.000 1.272) 3.599 5.754 ( 10.858 -0.000 -7.129) 12.989 5.944 ( -4.543 0.000 -6.231) 7.711 6.426 ( -11.947 0.000 -8.701) 14.780 6.509 ( 11.685 -0.000 -1.030) 11.730 6.691 ( -7.917 0.000 2.917) 8.437 6.917 ( -6.026 0.000 4.665) 7.621 7.054 ( 13.621 -0.000 6.327) 15.019 7.549 ( -11.340 0.000 -0.932) 11.378 7.618 ( -25.016 0.000 -5.589) 25.633 7.699 ( -4.966 0.000 -5.828) 7.657 7.748 ( -9.893 0.000 3.898) 10.633 7.911 ( -6.024 0.000 -1.281) 6.159 7.929 ( -0.782 0.000 4.675) 4.739 8.002 ( -2.916 0.000 4.617) 5.460 8.249 ( 6.782 -0.000 3.371) 7.573 8.377 ( -2.725 0.000 3.301) 4.280 8.719 ( 1.535 -0.000 -7.921) 8.068 8.749 ( -4.152 0.000 -2.406) 4.798 8.774 ( 0.479 -0.000 -0.227) 0.530 8.865 ( 1.670 -0.000 -1.943) 2.562 8.899 ( 7.266 -0.000 0.212) 7.269 9.038 ( 6.554 -0.000 -2.504) 7.016 9.143 ( 6.553 -0.000 -0.357) 6.562 9.479 ( 3.112 -0.000 -1.189) 3.331 9.585 ( 17.238 -0.000 7.106) 18.645 9.724 ( -2.751 0.000 0.642) 2.825 9.814 ( 0.155 -0.000 -1.627) 1.635 10.229 ( 0.078 -0.000 -3.839) 3.840 10.333 ( 12.884 -0.000 6.389) 14.381 11.047 ( -7.738 0.000 -17.258) 18.913 11.200 ( -0.454 0.000 12.197) 12.205 11.890 ( -9.228 0.000 5.820) 10.910 11.952 ( -5.284 0.000 -5.286) 7.475 12.567 ( 5.423 -0.000 2.521) 5.980 12.682 ( 14.030 -0.000 0.556) 14.041 13.629 ( -0.700 0.000 0.472) 0.844 13.654 ( 0.659 -0.000 -0.597) 0.889 14.666 ( 1.724 -0.000 0.407) 1.771 14.692 ( 5.450 -0.000 1.244) 5.590 14.729 ( 3.670 -0.000 -0.130) 3.673 14.760 ( 7.484 -0.000 -2.538) 7.903 21.016 ( 4.284 -0.000 -0.181) 4.288 21.044 ( 2.744 -0.000 2.651) 3.815 21.180 ( -5.367 0.000 -2.143) 5.779 21.406 ( 7.111 -0.000 2.108) 7.417 22.014 ( -0.208 0.000 -0.005) 0.208 22.022 ( 0.149 -0.000 0.037) 0.153 23.470 ( -3.094 0.000 3.535) 4.698 23.558 ( 1.147 -0.000 -4.122) 4.279 24.150 ( -2.957 0.000 -2.523) 3.886 24.270 ( -6.886 0.000 3.571) 7.757 24.384 ( 9.291 -0.000 1.494) 9.410 24.514 ( 0.284 -0.000 -4.531) 4.540 24.733 ( -0.745 0.000 -1.042) 1.281 24.765 ( 3.749 -0.000 0.055) 3.750 24.801 ( 1.230 -0.000 -0.664) 1.398 24.863 ( 4.455 -0.000 1.728) 4.778 26.196 ( -14.681 0.000 6.336) 15.990 26.200 ( -13.707 0.000 -6.198) 15.043 ======================= Grid point 175 (81/115) ======================= q-point: ( 0.22 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.290 ( 3.109 3.374 -19.431) 19.965 1.326 ( 3.511 -3.624 13.435) 14.352 1.702 ( -3.428 -6.507 12.491) 14.495 1.864 ( -2.713 0.063 -11.500) 11.815 2.002 ( 3.466 -7.500 8.269) 11.689 2.232 ( 4.292 -5.074 7.472) 10.000 2.543 ( 8.649 8.095 -18.214) 21.727 2.664 ( 4.078 3.210 -7.793) 9.363 2.849 ( -3.492 -6.156 -5.867) 9.193 3.053 ( -7.959 1.733 13.901) 16.112 3.326 ( 9.858 -2.034 -23.519) 25.582 3.403 ( 10.735 -2.405 24.597) 26.945 3.528 ( 0.794 -1.485 -1.983) 2.602 3.595 ( 1.249 2.640 1.734) 3.396 3.827 ( 3.379 6.431 2.069) 7.554 3.944 ( -2.866 5.039 4.002) 7.045 4.021 ( 8.397 -4.471 -2.949) 9.960 4.171 ( -2.026 0.862 4.311) 4.841 4.205 ( -2.159 -2.490 5.323) 6.260 4.333 ( -2.130 4.519 3.388) 6.036 4.504 ( 1.474 -4.287 4.133) 6.135 4.739 ( -4.982 -0.749 -1.347) 5.215 4.769 ( -2.253 1.330 -0.720) 2.714 4.922 ( -9.889 7.062 -5.442) 13.315 4.987 ( -0.127 -0.349 -4.653) 4.668 5.076 ( -1.330 -3.051 -2.852) 4.383 5.183 ( -1.595 -0.442 -3.609) 3.970 5.300 ( -0.227 -2.149 -1.524) 2.644 5.371 ( 6.236 -5.027 3.674) 8.813 5.561 ( -13.746 -2.799 7.158) 15.749 5.604 ( -1.647 1.261 3.785) 4.316 5.749 ( 9.963 8.735 -8.735) 15.870 5.878 ( 0.848 1.965 -4.266) 4.773 6.304 ( -4.309 -1.642 -4.668) 6.562 6.543 ( 1.226 9.695 3.302) 10.315 6.721 ( 4.935 -6.721 3.844) 9.182 6.832 ( -14.645 3.378 2.435) 15.225 7.073 ( -4.435 10.814 4.039) 12.367 7.237 ( -12.395 6.638 -7.924) 16.139 7.440 ( -12.968 1.702 2.793) 13.374 7.649 ( -5.826 1.434 2.146) 6.372 7.699 ( 10.800 -3.595 -8.986) 14.502 7.820 ( -6.920 3.776 0.131) 7.884 7.954 ( -1.470 -1.426 5.800) 6.151 8.077 ( -2.736 -7.265 2.793) 8.250 8.219 ( 3.174 12.085 -0.293) 12.498 8.362 ( 5.717 -5.131 2.060) 7.954 8.653 ( -3.812 4.179 -1.428) 5.834 8.709 ( 0.662 1.475 0.836) 1.820 8.787 ( -4.042 -0.234 -2.857) 4.955 8.955 ( 4.465 0.038 5.594) 7.158 9.011 ( 3.665 -9.239 -5.350) 11.288 9.149 ( 3.960 -7.518 -5.727) 10.247 9.248 ( 5.361 -4.858 -0.094) 7.236 9.472 ( 1.096 0.656 -2.347) 2.672 9.661 ( -1.192 3.646 0.652) 3.891 9.727 ( -3.679 1.829 0.338) 4.123 9.913 ( 9.646 -8.211 7.069) 14.506 10.192 ( 3.212 3.450 5.766) 7.447 10.547 ( 12.028 -7.915 -3.372) 14.788 10.895 ( -5.430 2.950 -14.018) 15.319 11.239 ( -1.968 -0.839 8.463) 8.729 11.692 ( -7.955 9.491 -0.362) 12.389 11.906 ( -4.864 2.324 -1.603) 5.624 12.654 ( 3.837 -4.363 5.880) 8.266 12.908 ( 11.087 -9.020 -1.323) 14.354 13.626 ( -0.370 -0.124 0.475) 0.615 13.662 ( 1.154 -0.388 -0.696) 1.403 14.686 ( 2.580 -0.168 0.426) 2.620 14.766 ( 3.099 -2.018 -0.857) 3.796 14.780 ( 6.125 -0.807 2.067) 6.514 14.860 ( 5.725 -4.100 -0.828) 7.090 21.013 ( 3.126 3.177 2.216) 4.977 21.098 ( -0.173 -0.867 5.038) 5.115 21.186 ( 0.514 -4.844 -4.574) 6.682 21.498 ( 7.562 -1.859 2.150) 8.079 22.012 ( -0.204 0.008 0.032) 0.207 22.022 ( 0.065 0.147 0.008) 0.161 23.448 ( -3.609 0.137 3.002) 4.696 23.564 ( 0.873 -1.194 -3.536) 3.832 24.110 ( -1.905 1.356 -0.544) 2.401 24.242 ( -4.756 -2.037 1.296) 5.334 24.466 ( 6.791 0.882 1.237) 6.959 24.501 ( 0.392 -1.148 -4.098) 4.274 24.705 ( -0.133 1.412 -1.358) 1.964 24.820 ( 1.326 -1.282 -1.075) 2.135 24.846 ( 3.896 -3.400 0.736) 5.223 24.919 ( 4.470 -0.997 1.536) 4.831 25.942 ( -16.734 8.716 -12.903) 22.858 25.996 ( -15.457 9.137 10.625) 20.864 ======================= Grid point 176 (82/115) ======================= q-point: ( 0.33 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 14.937 -8.628 1.080) 17.284 1.542 ( 4.147 -9.518 -0.698) 10.406 1.699 ( 1.963 7.218 -8.335) 11.199 1.839 ( 1.523 -9.431 0.229) 9.556 2.206 ( 9.346 -1.717 0.319) 9.508 2.350 ( -1.593 -6.634 -0.935) 6.886 2.482 ( 1.950 -1.576 -1.271) 2.811 2.641 ( -2.171 -2.100 1.108) 3.217 2.913 ( 0.858 -3.043 -1.364) 3.443 3.029 ( -1.330 1.177 9.176) 9.346 3.264 ( -0.220 5.313 -11.145) 12.349 3.445 ( -2.038 7.001 4.203) 8.416 3.464 ( -2.541 6.174 0.112) 6.678 3.624 ( -2.775 3.107 3.482) 5.430 3.757 ( 1.636 2.082 -2.066) 3.359 3.840 ( 2.112 6.109 0.388) 6.476 4.127 ( -2.601 -0.876 -3.213) 4.226 4.138 ( -0.008 0.258 -1.427) 1.450 4.292 ( 0.168 -2.596 7.281) 7.732 4.357 ( 9.170 -2.845 10.200) 14.007 4.538 ( -5.287 5.899 -1.416) 8.047 4.596 ( -4.083 6.274 -0.619) 7.511 4.741 ( -2.147 -0.015 -3.688) 4.267 4.810 ( 7.271 -6.623 -1.955) 10.028 5.036 ( -4.837 -2.029 -9.589) 10.930 5.069 ( -2.288 1.381 4.455) 5.195 5.172 ( 2.386 -3.618 -1.646) 4.636 5.360 ( -5.626 -4.246 3.926) 8.068 5.431 ( 4.150 6.635 -5.947) 9.829 5.501 ( -0.136 -4.661 -0.612) 4.703 5.623 ( -11.689 -7.910 6.842) 15.685 5.682 ( 9.173 5.049 -5.729) 11.936 5.888 ( 3.528 1.634 3.834) 5.461 6.300 ( -4.088 -2.709 -6.955) 8.510 6.460 ( 4.398 7.353 5.120) 9.981 6.508 ( -11.256 13.124 6.508) 18.474 6.775 ( -0.510 7.146 -2.712) 7.660 6.895 ( -2.075 4.620 0.762) 5.122 7.149 ( -4.371 -1.717 -4.324) 6.384 7.365 ( -4.679 -6.402 4.232) 8.989 7.542 ( -7.508 3.004 -4.634) 9.320 7.668 ( -9.276 4.506 2.824) 10.692 7.886 ( 7.858 -3.307 -4.065) 9.445 8.037 ( 3.922 -6.588 1.594) 7.831 8.099 ( 3.599 6.371 3.247) 8.006 8.164 ( -1.343 -5.571 0.847) 5.793 8.502 ( 5.436 0.317 3.549) 6.500 8.556 ( -3.252 -0.146 0.963) 3.395 8.701 ( -4.841 3.445 -1.516) 6.132 8.727 ( 2.391 -1.679 0.275) 2.935 9.034 ( 3.143 -2.658 5.648) 6.989 9.094 ( 0.748 -1.246 -3.073) 3.399 9.274 ( 0.365 -6.596 -5.986) 8.915 9.350 ( 2.675 -1.948 -0.544) 3.354 9.456 ( 0.083 0.829 -5.179) 5.246 9.615 ( 0.094 1.374 2.658) 2.994 9.628 ( -1.628 5.192 -0.804) 5.500 10.050 ( -3.259 -4.664 -0.985) 5.775 10.284 ( 6.217 -2.586 13.907) 15.451 10.708 ( 9.353 1.056 -16.614) 19.095 10.833 ( -0.851 -7.241 1.704) 7.487 11.233 ( -1.728 2.645 4.602) 5.582 11.492 ( -5.629 5.914 -3.528) 8.894 11.777 ( -4.437 6.620 -1.293) 8.073 12.794 ( 0.249 -6.162 9.800) 11.579 13.112 ( 7.249 -6.446 -4.554) 10.716 13.632 ( 0.134 -0.569 0.747) 0.949 13.682 ( 1.533 -0.771 -0.804) 1.895 14.718 ( 2.504 -0.453 0.335) 2.566 14.823 ( 0.957 -1.661 -2.583) 3.217 14.834 ( 4.980 -0.496 0.940) 5.092 14.963 ( 2.247 -2.552 3.166) 4.647 21.007 ( 2.012 1.736 4.018) 4.817 21.114 ( -1.840 -1.110 2.133) 3.028 21.262 ( 2.956 -2.577 -0.520) 3.956 21.615 ( 7.340 -3.107 0.690) 8.000 22.011 ( -0.180 -0.037 0.096) 0.207 22.019 ( -0.049 0.200 -0.141) 0.250 23.428 ( -3.074 -0.425 2.709) 4.119 23.584 ( 0.133 -1.777 -1.767) 2.510 24.077 ( -1.237 1.190 3.240) 3.667 24.246 ( -2.534 -2.425 -1.686) 3.892 24.469 ( -2.762 -1.637 -4.447) 5.484 24.551 ( 8.776 1.739 1.649) 9.097 24.681 ( 0.151 0.862 -1.707) 1.918 24.852 ( 0.535 -1.853 -0.957) 2.153 24.931 ( 2.425 -2.652 1.066) 3.749 24.983 ( 3.759 -1.356 0.748) 4.066 25.578 ( -13.616 9.803 -18.203) 24.756 25.732 ( -13.143 11.256 12.944) 21.610 ======================= Grid point 177 (83/115) ======================= q-point: ( 0.44 0.11 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 2.902 16.265 0.568) 16.531 1.766 ( 10.647 -7.904 1.492) 13.344 1.898 ( 3.859 -19.806 -2.038) 20.281 2.064 ( 10.655 -10.561 -3.009) 15.301 2.252 ( 14.226 2.202 -12.584) 19.120 2.427 ( -2.407 -7.234 1.396) 7.751 2.540 ( -2.583 -0.985 8.255) 8.705 2.726 ( -8.292 -9.613 10.964) 16.774 2.952 ( 1.185 -0.597 -4.155) 4.362 3.013 ( 3.175 4.329 4.988) 7.328 3.132 ( -2.456 3.935 -6.621) 8.084 3.243 ( -6.033 9.392 0.718) 11.186 3.361 ( -2.969 7.891 -6.350) 10.555 3.474 ( -1.636 8.697 9.435) 12.936 3.656 ( -3.946 5.129 -4.868) 8.098 3.799 ( 1.627 5.190 -5.649) 7.842 4.066 ( -6.175 -1.123 3.376) 7.127 4.132 ( -3.487 -0.238 -4.372) 5.598 4.250 ( -5.531 -0.345 -1.434) 5.724 4.448 ( 5.509 10.195 -0.369) 11.594 4.517 ( 3.038 -3.651 3.648) 5.989 4.546 ( 7.075 -1.206 -2.357) 7.554 4.745 ( -2.503 -3.602 2.878) 5.246 4.898 ( -4.900 2.606 -2.963) 6.291 4.966 ( 1.650 0.450 0.696) 1.847 5.140 ( 3.425 -3.686 5.301) 7.309 5.272 ( 3.547 -2.194 -1.792) 4.539 5.344 ( 1.993 -7.026 0.844) 7.352 5.421 ( 1.260 3.222 -1.960) 3.976 5.578 ( -1.106 -6.471 1.619) 6.762 5.674 ( -2.680 -5.577 0.061) 6.188 5.691 ( 1.497 0.279 -0.150) 1.530 5.855 ( -3.957 4.142 1.918) 6.042 6.182 ( -9.134 5.114 2.428) 10.746 6.358 ( 3.130 3.293 -3.836) 5.946 6.391 ( 2.219 7.030 -0.883) 7.425 6.714 ( 4.283 1.364 -1.119) 4.632 6.774 ( -3.166 5.725 1.095) 6.633 7.145 ( -2.855 -2.249 2.054) 4.175 7.385 ( -4.232 4.394 -7.925) 10.001 7.497 ( 0.516 0.238 0.155) 0.589 7.578 ( -11.048 -9.217 9.570) 17.280 7.952 ( 2.860 -1.943 -0.262) 3.468 8.077 ( 2.552 1.734 3.226) 4.464 8.148 ( -0.357 -2.160 0.500) 2.246 8.272 ( 4.297 -5.281 -4.762) 8.309 8.428 ( 1.374 5.113 1.349) 5.464 8.606 ( -1.752 2.998 2.538) 4.301 8.648 ( 1.268 -2.807 4.150) 5.168 8.802 ( 0.950 -4.846 0.656) 4.981 9.068 ( -1.368 1.506 -4.798) 5.211 9.118 ( -0.730 -2.700 4.917) 5.657 9.296 ( 0.127 0.909 -4.186) 4.286 9.371 ( 0.048 0.033 -0.375) 0.380 9.419 ( -0.415 0.560 -4.724) 4.775 9.537 ( -0.169 3.860 -1.116) 4.021 9.641 ( 3.358 0.200 2.022) 3.925 10.078 ( -3.557 -3.483 -1.747) 5.276 10.396 ( 0.155 -1.943 12.024) 12.181 10.694 ( 9.442 1.323 -16.303) 18.886 11.004 ( 1.688 -8.233 6.012) 10.333 11.157 ( -2.129 5.028 2.495) 6.004 11.370 ( -2.658 2.916 -8.098) 9.008 11.637 ( -4.236 4.081 -0.837) 5.942 12.909 ( -2.392 -4.191 12.731) 13.615 13.220 ( 4.879 -2.551 -6.925) 8.847 13.649 ( 0.358 -0.706 1.010) 1.283 13.705 ( 1.346 -0.499 -0.843) 1.665 14.743 ( 1.701 0.016 0.344) 1.736 14.820 ( 0.126 0.831 -1.674) 1.873 14.903 ( 3.556 -2.165 -0.173) 4.167 14.995 ( -0.932 0.262 2.427) 2.613 21.022 ( 0.390 -0.201 4.365) 4.387 21.118 ( 0.907 0.151 -1.188) 1.502 21.304 ( 0.094 0.371 4.814) 4.829 21.728 ( 6.512 -3.383 -4.885) 8.815 22.010 ( -0.087 0.121 -0.064) 0.163 22.016 ( -0.249 -0.175 -0.226) 0.379 23.427 ( -1.854 -1.079 3.280) 3.919 23.607 ( -0.390 -1.567 -0.110) 1.618 24.079 ( -0.334 -0.112 7.617) 7.625 24.251 ( -1.039 -1.369 -4.350) 4.678 24.451 ( -3.791 -2.136 -5.624) 7.111 24.600 ( 7.826 3.134 1.746) 8.609 24.669 ( 1.372 0.629 -0.654) 1.645 24.878 ( -0.556 -1.574 -0.860) 1.878 24.977 ( 0.539 -0.335 0.438) 0.770 25.003 ( -0.926 1.389 -1.797) 2.453 25.324 ( -4.743 1.924 -13.124) 14.087 25.503 ( -9.242 8.424 10.732) 16.479 ======================= Grid point 178 (84/115) ======================= q-point: (-0.44 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 8.329 10.836 10.636) 17.318 1.850 ( 3.787 1.042 -5.740) 6.955 2.138 ( 4.944 7.774 -2.239) 9.481 2.165 ( -1.188 -8.102 -6.205) 10.274 2.384 ( 1.556 -2.401 -1.578) 3.268 2.494 ( 1.761 1.948 -7.084) 7.555 2.687 ( 2.175 -11.618 9.036) 14.878 2.730 ( -9.920 -2.409 3.354) 10.745 2.896 ( -10.187 -2.046 -1.286) 10.469 2.969 ( 3.188 10.873 -11.563) 16.189 3.063 ( 10.468 -0.417 7.738) 13.024 3.160 ( -5.181 -1.584 -2.027) 5.784 3.196 ( 3.735 0.938 0.769) 3.927 3.443 ( 3.886 3.018 8.203) 9.565 3.558 ( 4.459 1.645 -8.436) 9.683 3.712 ( -5.486 -0.771 -4.284) 7.003 4.042 ( -6.478 -0.773 2.705) 7.062 4.078 ( -5.890 -1.918 0.659) 6.230 4.251 ( -1.589 -1.559 0.302) 2.246 4.382 ( 6.328 3.736 0.282) 7.354 4.545 ( -1.557 3.612 7.801) 8.736 4.627 ( 4.910 -1.638 -6.126) 8.020 4.716 ( -1.717 4.397 0.627) 4.762 4.833 ( -4.758 -2.334 -3.108) 6.144 5.001 ( 0.490 -1.495 5.650) 5.865 5.154 ( 1.653 3.558 5.362) 6.644 5.284 ( -3.063 7.112 -3.137) 8.355 5.367 ( 3.768 -0.397 3.564) 5.202 5.510 ( 6.178 2.019 1.104) 6.592 5.652 ( -8.539 4.602 2.106) 9.926 5.714 ( -2.698 -12.191 0.990) 12.525 5.760 ( 7.072 -9.212 -2.098) 11.801 5.810 ( -4.244 -6.342 -3.456) 8.377 6.089 ( 1.543 2.541 0.844) 3.090 6.267 ( 0.355 5.768 -3.096) 6.556 6.351 ( 3.277 1.472 -9.483) 10.140 6.690 ( -1.469 2.370 5.673) 6.322 6.754 ( 3.893 -0.017 -2.328) 4.536 7.158 ( -2.944 -1.254 0.669) 3.269 7.294 ( -2.050 -0.395 -1.026) 2.327 7.454 ( -2.799 -0.099 -0.105) 2.803 7.705 ( -4.849 -6.390 9.888) 12.733 7.966 ( -1.966 3.352 4.202) 5.723 8.111 ( 3.319 -2.266 -2.348) 4.654 8.161 ( -0.068 -0.835 1.444) 1.670 8.318 ( 3.260 -1.595 -5.777) 6.822 8.432 ( 5.965 1.392 -1.780) 6.379 8.571 ( -2.659 0.805 4.560) 5.340 8.680 ( -0.126 1.561 4.368) 4.640 8.882 ( -2.162 -4.571 -0.286) 5.065 8.999 ( -1.820 2.367 -3.346) 4.485 9.130 ( -3.210 -0.788 -1.978) 3.852 9.275 ( 1.776 1.101 -0.550) 2.161 9.363 ( 1.607 1.044 -1.010) 2.166 9.407 ( -1.317 -0.773 -0.870) 1.757 9.485 ( 1.655 2.726 -1.197) 3.406 9.663 ( 2.352 1.685 2.928) 4.116 10.079 ( -4.549 -2.405 -2.033) 5.533 10.447 ( -0.045 1.274 12.099) 12.166 10.724 ( 9.825 -0.074 -13.554) 16.740 11.069 ( -0.711 3.159 4.696) 5.704 11.174 ( -0.080 -8.217 2.806) 8.683 11.259 ( -1.439 4.121 -12.043) 12.810 11.579 ( -3.078 -1.451 -1.533) 3.733 12.972 ( -4.014 -1.366 14.348) 14.961 13.242 ( 3.395 1.278 -7.591) 8.413 13.663 ( 0.217 -0.121 0.961) 0.993 13.712 ( 0.641 0.493 -0.812) 1.146 14.753 ( 1.300 0.568 0.599) 1.540 14.798 ( -0.430 1.047 -0.390) 1.197 14.935 ( -0.402 1.955 0.278) 2.015 14.993 ( 0.292 -2.144 -1.045) 2.403 21.038 ( -2.677 -1.467 1.548) 3.423 21.129 ( 5.797 1.426 -1.190) 6.087 21.284 ( -3.710 2.691 8.406) 9.574 21.797 ( 4.921 -2.166 -13.332) 14.375 22.006 ( -0.082 0.067 -0.206) 0.231 22.017 ( -0.448 -0.318 -0.316) 0.634 23.449 ( -0.421 -1.160 4.188) 4.366 23.621 ( -0.603 -0.503 0.475) 0.918 24.125 ( 0.100 -1.571 8.606) 8.749 24.242 ( 0.934 0.066 -4.105) 4.211 24.428 ( -4.562 -2.340 -6.216) 8.058 24.582 ( 2.145 4.131 -2.427) 5.249 24.703 ( 6.242 0.838 4.096) 7.513 24.874 ( -2.981 -0.186 -0.740) 3.077 24.925 ( -0.992 1.128 -1.826) 2.365 24.995 ( -1.092 -0.106 1.216) 1.638 25.249 ( -4.947 4.151 6.298) 9.020 25.444 ( 1.167 -5.886 -4.460) 7.476 ======================= Grid point 179 (85/115) ======================= q-point: (-0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 12.062 2.235 16.472) 20.538 1.771 ( 0.172 10.282 -4.325) 11.156 1.959 ( -2.381 12.702 1.021) 12.964 2.099 ( -2.618 14.420 -9.517) 17.475 2.268 ( -7.998 3.608 -13.280) 15.917 2.347 ( -1.209 4.196 0.875) 4.453 2.640 ( -0.447 0.688 -10.140) 10.173 2.781 ( -6.939 1.922 -7.782) 10.602 2.886 ( -1.645 -4.247 1.250) 4.723 3.018 ( -0.129 -8.780 9.447) 12.897 3.204 ( 2.739 -2.951 -3.993) 5.670 3.220 ( 4.681 -0.215 3.043) 5.588 3.296 ( 4.327 -9.703 4.207) 11.427 3.520 ( 8.001 -3.341 2.882) 9.137 3.649 ( 8.628 -6.839 -3.628) 11.592 3.698 ( -3.219 -1.994 3.258) 4.995 4.053 ( -2.630 -5.400 -0.862) 6.068 4.096 ( -4.270 -5.150 6.327) 9.208 4.222 ( -2.047 4.462 4.208) 6.465 4.346 ( -3.411 4.913 1.534) 6.174 4.503 ( -2.876 1.846 5.458) 6.440 4.609 ( 5.043 -1.244 0.705) 5.242 4.702 ( 2.997 0.252 -10.101) 10.540 4.820 ( -4.500 0.389 4.880) 6.650 5.044 ( 1.854 3.787 3.567) 5.523 5.129 ( 1.049 4.728 2.016) 5.246 5.134 ( 0.558 -1.861 -3.265) 3.800 5.336 ( -3.558 5.125 3.935) 7.376 5.473 ( -5.881 6.746 1.117) 9.019 5.566 ( 6.307 0.267 1.627) 6.519 5.784 ( -7.536 -3.098 -3.770) 8.978 5.882 ( 1.791 -1.980 3.943) 4.762 6.027 ( 1.738 -13.665 -2.765) 14.049 6.092 ( 0.769 0.489 -6.002) 6.071 6.245 ( 2.955 -7.581 -3.858) 9.005 6.316 ( 3.135 1.790 -9.670) 10.322 6.684 ( 2.271 1.938 3.536) 4.628 6.788 ( 2.483 -2.542 -2.248) 4.205 7.140 ( -2.926 -1.115 0.031) 3.131 7.349 ( 1.962 -3.718 8.190) 9.206 7.456 ( -2.081 -2.737 -2.089) 4.023 7.742 ( -3.521 0.189 8.788) 9.469 7.904 ( -2.740 1.955 5.090) 6.102 8.071 ( 0.393 4.463 -5.234) 6.890 8.243 ( 1.967 -1.719 1.059) 2.819 8.371 ( 0.158 -2.494 -4.160) 4.853 8.449 ( 8.334 1.950 -1.498) 8.689 8.553 ( -0.177 0.747 2.863) 2.964 8.655 ( -0.896 0.546 2.475) 2.688 8.852 ( -5.094 1.977 -3.251) 6.358 8.988 ( -1.441 -2.556 -0.796) 3.040 9.062 ( -5.493 3.250 -4.804) 7.989 9.290 ( -0.126 -0.727 3.738) 3.810 9.352 ( 3.424 2.811 -0.283) 4.439 9.414 ( -0.829 -1.299 -1.258) 1.989 9.472 ( 1.729 0.761 0.063) 1.890 9.666 ( 3.165 1.412 3.734) 5.094 10.064 ( -6.933 -2.880 -1.062) 7.582 10.425 ( 0.264 7.168 12.969) 14.820 10.782 ( 12.023 0.042 -11.839) 16.874 11.046 ( -4.630 -0.023 2.934) 5.481 11.134 ( 1.094 3.145 -16.256) 16.593 11.325 ( 1.043 -8.258 4.236) 9.340 11.605 ( -2.207 -5.466 -2.639) 6.459 12.978 ( -4.854 1.692 14.232) 15.132 13.190 ( 2.237 5.297 -6.749) 8.866 13.662 ( -0.020 0.629 0.709) 0.948 13.696 ( 0.014 1.402 -0.783) 1.606 14.745 ( 0.824 2.269 0.111) 2.416 14.783 ( -0.818 0.174 1.352) 1.590 14.872 ( -1.669 3.649 0.637) 4.063 15.029 ( 0.179 -2.047 -4.452) 4.903 21.032 ( -2.525 -0.970 -1.037) 2.897 21.155 ( 2.573 1.176 -4.128) 5.005 21.229 ( -1.603 3.734 12.991) 13.612 21.783 ( 2.123 0.865 -20.644) 20.771 22.006 ( -0.015 -0.183 0.044) 0.189 22.016 ( -0.395 -0.193 -0.195) 0.481 23.481 ( 0.500 -0.577 4.766) 4.827 23.614 ( -0.524 0.757 -0.127) 0.929 24.157 ( 0.447 -0.444 -1.770) 1.879 24.264 ( 2.234 -0.569 4.659) 5.198 24.399 ( -4.131 -2.053 -5.927) 7.510 24.522 ( -0.019 3.157 -1.639) 3.557 24.754 ( 6.181 2.555 3.314) 7.464 24.869 ( -2.280 -1.646 2.613) 3.839 24.915 ( -0.626 -0.146 0.876) 1.086 24.972 ( -2.444 1.658 0.848) 3.073 25.207 ( -1.714 -1.525 14.418) 14.599 25.606 ( 3.982 -12.577 -9.021) 15.982 ======================= Grid point 180 (86/115) ======================= q-point: (-0.22 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.326 ( 3.911 8.737 6.257) 11.436 1.515 ( -0.402 16.434 5.155) 17.228 1.744 ( 0.279 8.802 -4.501) 9.890 1.872 ( -0.932 3.153 2.266) 3.993 2.191 ( -4.726 -2.603 -14.308) 15.291 2.262 ( 5.311 7.721 0.615) 9.391 2.552 ( -2.679 2.987 -3.995) 5.662 2.675 ( -4.214 1.308 -14.401) 15.062 2.966 ( -2.868 -4.382 8.365) 9.869 3.141 ( 2.455 1.574 12.390) 12.729 3.202 ( 0.506 -1.884 -2.031) 2.816 3.284 ( 2.349 -3.599 -5.111) 6.678 3.422 ( -6.588 -0.374 5.175) 8.386 3.666 ( 5.479 -1.181 -1.511) 5.805 3.691 ( 1.534 -1.521 5.180) 5.612 3.820 ( 2.836 -6.173 -1.728) 7.009 4.056 ( -7.961 -1.200 2.586) 8.456 4.125 ( -0.563 1.640 -0.818) 1.917 4.204 ( -1.114 -0.779 0.719) 1.538 4.311 ( 1.175 -7.051 -3.216) 7.838 4.549 ( 4.331 -0.023 3.729) 5.715 4.639 ( -0.255 4.541 -0.682) 4.599 4.725 ( 4.120 -2.256 -2.803) 5.470 4.804 ( -4.044 -11.332 5.446) 13.207 5.028 ( 6.073 0.306 2.331) 6.512 5.128 ( 3.059 0.466 4.688) 5.617 5.193 ( -0.448 5.077 3.562) 6.219 5.288 ( -3.276 -3.200 -2.047) 5.016 5.322 ( 1.909 1.893 -1.612) 3.135 5.596 ( 2.843 2.964 -0.037) 4.107 5.670 ( -10.555 4.100 -5.253) 12.483 5.809 ( 2.093 11.246 -5.578) 12.727 6.126 ( -5.110 -7.328 2.562) 9.294 6.211 ( -1.404 -6.255 11.171) 12.880 6.315 ( 1.306 -8.316 -12.593) 15.147 6.487 ( 7.872 -13.162 -7.290) 16.981 6.699 ( -1.005 -3.717 0.159) 3.854 6.808 ( 0.081 1.783 -2.796) 3.317 7.216 ( 5.109 -7.364 4.454) 10.009 7.433 ( 3.344 5.601 6.262) 9.042 7.494 ( -1.038 -8.634 1.155) 8.772 7.738 ( -3.316 -1.009 3.848) 5.179 7.886 ( -1.781 0.513 4.170) 4.563 7.983 ( 1.249 4.241 -5.829) 7.316 8.194 ( -2.048 6.244 2.093) 6.897 8.328 ( -4.121 2.231 -2.680) 5.399 8.523 ( 8.504 1.984 -1.997) 8.958 8.568 ( 2.116 -1.104 1.508) 2.823 8.720 ( 4.040 -5.300 1.625) 6.860 8.765 ( -5.453 0.536 -2.008) 5.836 8.908 ( -5.761 5.349 -1.960) 8.102 9.009 ( -2.513 -2.245 -3.037) 4.536 9.284 ( -2.917 1.841 4.657) 5.796 9.312 ( 1.211 5.305 0.973) 5.528 9.433 ( 3.286 -0.221 -0.510) 3.332 9.496 ( 0.672 -2.378 -0.465) 2.515 9.720 ( 5.844 -0.550 3.921) 7.059 10.016 ( -11.613 -1.503 -0.455) 11.719 10.327 ( 0.623 10.357 13.358) 16.914 10.800 ( 9.138 8.670 -21.777) 25.158 10.963 ( -0.986 -0.049 -0.265) 1.022 11.139 ( 0.159 -5.550 -7.696) 9.490 11.495 ( 2.579 -8.736 5.193) 10.484 11.687 ( -2.561 -8.269 -2.949) 9.145 12.923 ( -5.145 5.228 11.843) 13.931 13.066 ( 1.618 9.681 -4.869) 10.957 13.652 ( -0.174 0.751 0.524) 0.932 13.668 ( 0.030 1.446 -0.789) 1.648 14.706 ( 0.035 2.757 0.407) 2.787 14.755 ( -2.143 2.300 -0.777) 3.238 14.819 ( 0.565 2.965 3.749) 4.813 15.009 ( -1.169 1.650 -7.937) 8.191 21.022 ( -1.860 -0.700 -0.578) 2.069 21.085 ( -5.108 2.519 -1.188) 5.817 21.254 ( 6.138 2.298 7.917) 10.278 21.664 ( -1.015 4.887 -21.682) 22.249 22.011 ( 0.023 -0.264 0.158) 0.309 22.016 ( -0.091 -0.169 -0.135) 0.235 23.504 ( -0.284 0.240 5.078) 5.092 23.592 ( 0.487 1.280 -1.761) 2.231 24.166 ( 3.010 -0.181 -2.192) 3.728 24.283 ( -3.692 -0.751 0.367) 3.786 24.397 ( 2.223 -1.037 -2.280) 3.349 24.469 ( -2.342 1.942 0.222) 3.051 24.769 ( 5.081 2.828 2.565) 6.355 24.861 ( -0.748 1.706 1.817) 2.602 24.896 ( -3.490 1.403 0.224) 3.768 24.912 ( -1.638 2.576 -0.565) 3.105 25.422 ( 2.728 -15.277 22.392) 27.244 25.836 ( 3.102 -15.324 -9.525) 18.308 ======================= Grid point 181 (87/115) ======================= q-point: (-0.11 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 3.592 8.439 11.625) 14.807 1.354 ( -1.817 5.216 14.790) 15.788 1.675 ( 6.076 2.858 -7.225) 9.864 1.844 ( -11.288 -0.738 3.127) 11.737 2.172 ( 3.727 3.511 -12.030) 13.074 2.228 ( 7.980 0.681 -3.441) 8.717 2.493 ( -2.588 -0.174 0.286) 2.610 2.565 ( 3.005 3.327 -14.295) 14.981 2.972 ( 0.298 12.371 23.135) 26.236 3.126 ( 0.053 4.287 16.146) 16.706 3.171 ( -10.759 2.632 2.666) 11.392 3.298 ( 0.538 -2.294 -1.098) 2.600 3.426 ( 1.038 -7.477 -7.572) 10.692 3.636 ( -0.186 3.130 -17.026) 17.312 3.807 ( 6.430 -1.857 1.861) 6.947 3.844 ( -3.954 -0.198 -1.677) 4.300 4.021 ( -5.641 -1.248 2.800) 6.420 4.106 ( 3.570 0.368 -2.738) 4.514 4.299 ( -1.865 -8.243 0.218) 8.454 4.384 ( 2.237 -3.478 -7.742) 8.777 4.501 ( -6.400 0.779 2.514) 6.920 4.539 ( 4.973 4.319 -0.714) 6.626 4.969 ( -4.893 -8.557 8.774) 13.196 5.027 ( 6.998 -11.903 2.203) 13.982 5.074 ( -1.511 2.656 1.098) 3.247 5.119 ( 4.264 2.311 -1.334) 5.030 5.155 ( 3.138 1.732 2.483) 4.360 5.204 ( 2.500 -1.356 -0.091) 2.845 5.452 ( 1.631 4.483 2.339) 5.313 5.526 ( 3.659 -3.048 -3.377) 5.838 5.539 ( -10.464 -2.266 -5.442) 12.010 5.607 ( 3.245 10.806 -8.599) 14.186 6.156 ( -10.220 -4.777 10.176) 15.193 6.320 ( -0.482 0.403 -6.251) 6.283 6.417 ( 0.225 -5.221 11.606) 12.728 6.702 ( 3.057 -7.611 -13.659) 15.932 6.801 ( -1.108 -14.430 5.086) 15.340 6.885 ( 1.811 -11.032 -2.120) 11.379 7.365 ( 1.767 6.084 6.598) 9.148 7.437 ( 8.320 -9.318 -0.975) 12.530 7.629 ( -2.946 -8.113 2.789) 9.070 7.718 ( -1.906 -0.925 -2.515) 3.289 7.871 ( 0.234 0.584 1.631) 1.748 7.911 ( -4.248 1.972 -4.373) 6.407 8.122 ( 1.102 2.708 7.685) 8.223 8.231 ( -3.593 3.084 -3.306) 5.775 8.510 ( -5.205 3.045 5.890) 8.430 8.606 ( 4.864 0.265 -4.052) 6.336 8.725 ( -5.000 -1.582 1.819) 5.551 8.800 ( 2.196 -1.141 -5.545) 6.072 8.880 ( 6.027 -0.939 5.145) 7.979 8.978 ( -3.118 1.259 -4.589) 5.689 9.223 ( 1.660 7.607 3.262) 8.442 9.257 ( 1.493 0.995 0.705) 1.928 9.473 ( 8.268 2.455 1.312) 8.724 9.517 ( -4.553 -0.580 -1.685) 4.889 9.777 ( 4.006 2.874 5.031) 7.044 9.893 ( -9.755 1.568 -3.193) 10.384 10.217 ( -3.811 7.189 13.211) 15.516 10.560 ( 6.030 14.733 -23.545) 28.421 11.026 ( 1.130 -3.356 4.371) 5.626 11.204 ( 0.835 -5.120 -11.960) 13.037 11.692 ( 1.989 -9.703 6.943) 12.096 11.792 ( -2.828 -9.556 -3.051) 10.422 12.790 ( -5.854 9.445 7.401) 13.351 12.883 ( 3.958 13.677 -2.774) 14.506 13.640 ( -0.564 0.402 0.475) 0.840 13.651 ( 0.675 0.650 -0.651) 1.141 14.669 ( 0.734 2.281 0.871) 2.550 14.691 ( -1.188 2.590 -1.191) 3.088 14.785 ( 1.130 4.384 3.771) 5.892 14.898 ( -0.663 6.756 -8.355) 10.765 20.988 ( -6.163 0.567 2.569) 6.701 21.034 ( 2.139 0.852 -2.267) 3.231 21.300 ( 6.060 2.012 4.848) 8.017 21.474 ( -2.859 7.412 -15.047) 17.015 22.015 ( -0.114 -0.189 0.147) 0.265 22.018 ( 0.109 -0.115 -0.139) 0.211 23.500 ( -2.209 0.721 4.644) 5.193 23.577 ( 1.875 0.974 -3.030) 3.694 24.205 ( 2.569 -0.777 1.145) 2.918 24.246 ( -2.909 -0.444 -2.695) 3.990 24.410 ( -4.933 1.477 1.562) 5.381 24.444 ( 5.545 -0.704 -2.009) 5.939 24.781 ( 4.234 2.257 2.326) 5.332 24.817 ( -3.338 3.079 -0.023) 4.541 24.832 ( 0.018 1.985 0.141) 1.990 24.857 ( -0.361 2.921 -1.079) 3.135 25.831 ( 0.583 -21.732 18.300) 28.417 26.070 ( -0.224 -15.047 -7.742) 16.923 ======================= Grid point 184 (88/115) ======================= q-point: ( 0.22 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.316 ( 8.857 -0.000 -22.055) 23.767 1.370 ( 3.700 -0.000 4.281) 5.658 1.606 ( -2.452 0.000 -10.859) 11.132 1.757 ( -0.522 0.000 25.029) 25.034 2.041 ( 3.844 -0.000 1.124) 4.005 2.347 ( 5.462 -0.000 22.651) 23.300 2.634 ( -4.739 0.000 -9.351) 10.484 2.683 ( 0.135 -0.000 -13.202) 13.203 2.728 ( 13.181 -0.000 -18.828) 22.983 3.026 ( -9.883 0.000 14.270) 17.358 3.303 ( 14.131 -0.000 -31.153) 34.208 3.526 ( -2.819 0.000 10.359) 10.736 3.564 ( 3.006 -0.000 10.380) 10.807 3.593 ( -3.178 0.000 -1.676) 3.593 3.913 ( 4.279 -0.000 3.071) 5.267 3.992 ( 3.323 -0.000 -0.733) 3.403 4.107 ( 6.844 -0.000 -0.074) 6.845 4.119 ( -4.645 0.000 1.092) 4.772 4.248 ( 4.622 -0.000 16.774) 17.399 4.384 ( 1.869 -0.000 7.010) 7.255 4.494 ( -5.837 0.000 7.257) 9.313 4.602 ( -0.139 0.000 -1.091) 1.100 4.840 ( -15.278 0.000 8.572) 17.519 4.886 ( 10.603 -0.000 -10.660) 15.035 4.899 ( -14.078 0.000 -0.977) 14.112 5.073 ( 2.749 -0.000 -4.088) 4.926 5.117 ( -4.549 0.000 -7.728) 8.967 5.230 ( 1.404 -0.000 -3.957) 4.199 5.377 ( -15.820 0.000 11.132) 19.344 5.486 ( 9.853 -0.000 4.606) 10.877 5.682 ( 4.602 -0.000 -2.638) 5.304 5.829 ( 3.313 -0.000 -10.224) 10.747 5.873 ( -0.351 0.000 -13.241) 13.246 6.251 ( 0.325 -0.000 2.949) 2.966 6.626 ( -12.346 0.000 6.834) 14.111 6.721 ( 5.405 -0.000 5.479) 7.697 6.769 ( 3.062 -0.000 -3.754) 4.844 7.110 ( -19.319 0.000 -11.587) 22.527 7.121 ( -10.130 0.000 11.180) 15.086 7.337 ( -12.107 0.000 3.056) 12.487 7.572 ( -9.015 0.000 -1.146) 9.087 7.743 ( -6.730 0.000 -3.376) 7.529 7.787 ( 11.217 -0.000 -3.923) 11.883 7.956 ( 0.526 -0.000 3.990) 4.025 8.031 ( 2.224 -0.000 1.690) 2.793 8.319 ( -0.401 0.000 0.627) 0.744 8.400 ( 2.022 -0.000 1.772) 2.688 8.646 ( -2.892 0.000 -5.267) 6.008 8.731 ( -1.993 0.000 -1.360) 2.412 8.752 ( 2.404 -0.000 3.701) 4.413 8.917 ( 5.782 -0.000 -6.363) 8.598 9.041 ( 5.910 -0.000 2.526) 6.427 9.130 ( 5.856 -0.000 -5.993) 8.379 9.255 ( 5.641 -0.000 0.459) 5.660 9.442 ( -4.696 0.000 0.751) 4.756 9.674 ( -2.875 0.000 3.089) 4.220 9.699 ( -5.200 0.000 1.091) 5.313 9.982 ( 9.095 -0.000 -1.674) 9.248 10.296 ( 6.774 -0.000 11.635) 13.464 10.560 ( 5.023 -0.000 3.802) 6.300 10.836 ( 2.064 -0.000 -22.246) 22.341 11.233 ( -4.962 0.000 12.492) 13.442 11.724 ( -10.860 0.000 2.992) 11.265 11.831 ( -2.646 0.000 -6.543) 7.058 12.697 ( 4.767 -0.000 6.035) 7.691 12.933 ( 11.813 -0.000 -2.188) 12.014 13.625 ( -0.008 0.000 0.695) 0.695 13.668 ( 1.443 -0.000 -0.807) 1.653 14.716 ( 3.039 -0.000 1.262) 3.291 14.771 ( 3.108 -0.000 -0.416) 3.136 14.856 ( 4.886 -0.000 -4.258) 6.481 14.875 ( 7.094 -0.000 6.163) 9.397 21.063 ( -4.983 0.000 0.161) 4.985 21.081 ( 4.257 -0.000 -5.363) 6.847 21.195 ( 5.701 -0.000 14.054) 15.167 21.568 ( 8.924 -0.000 1.856) 9.115 22.010 ( -0.214 0.000 -0.033) 0.216 22.024 ( -0.005 0.000 0.079) 0.079 23.423 ( -4.399 0.000 3.512) 5.629 23.548 ( 1.360 -0.000 -5.037) 5.217 24.115 ( 0.438 -0.000 -1.086) 1.170 24.183 ( -4.389 0.000 1.459) 4.625 24.432 ( -4.096 0.000 -5.157) 6.585 24.575 ( 9.346 -0.000 1.755) 9.510 24.719 ( 0.057 -0.000 -0.668) 0.670 24.818 ( 1.202 -0.000 -1.231) 1.721 24.860 ( 4.885 -0.000 0.212) 4.890 24.959 ( 4.573 -0.000 1.682) 4.873 25.780 ( -20.572 0.000 -16.944) 26.652 25.945 ( -17.621 0.000 10.297) 20.409 ======================= Grid point 185 (89/115) ======================= q-point: ( 0.33 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( 14.306 -5.466 -8.285) 17.412 1.477 ( 10.034 -6.481 -4.167) 12.651 1.656 ( 5.060 -4.372 0.037) 6.687 1.995 ( -0.043 -14.957 16.966) 22.618 2.000 ( 3.610 7.880 -0.018) 8.667 2.388 ( 0.805 5.209 15.023) 15.921 2.527 ( -2.781 1.557 -4.540) 5.547 2.657 ( 1.475 2.879 -11.037) 11.502 2.788 ( 4.124 -5.367 -15.074) 16.524 3.020 ( -3.989 -2.467 8.443) 9.659 3.308 ( 1.966 3.152 -14.455) 14.925 3.493 ( -5.952 1.260 3.392) 6.965 3.536 ( -1.520 3.118 1.922) 3.965 3.612 ( 2.215 -2.521 -0.585) 3.406 3.858 ( -2.259 8.294 -0.460) 8.608 3.987 ( -0.282 5.948 1.456) 6.131 4.049 ( -2.584 1.002 0.836) 2.895 4.165 ( 4.232 1.796 -7.899) 9.140 4.341 ( 4.322 0.049 13.116) 13.810 4.424 ( 3.971 -1.862 7.461) 8.655 4.527 ( -11.112 3.486 4.216) 12.386 4.588 ( -1.768 -1.126 6.511) 6.840 4.726 ( 0.637 -6.656 -0.140) 6.688 4.823 ( -0.208 2.655 2.657) 3.761 4.948 ( -5.506 1.073 -4.507) 7.196 5.002 ( 4.695 -0.252 -4.210) 6.311 5.169 ( 1.858 -5.032 -0.763) 5.418 5.264 ( -8.104 -8.444 -4.394) 12.502 5.341 ( -2.401 -0.858 5.514) 6.075 5.526 ( 5.045 3.088 0.658) 5.952 5.642 ( 5.081 6.727 -4.557) 9.584 5.796 ( -0.099 1.193 -8.270) 8.356 5.885 ( 6.101 -2.816 -5.241) 8.522 6.260 ( -3.261 3.357 3.859) 6.066 6.504 ( -13.824 -0.391 5.980) 15.067 6.673 ( 4.293 10.962 5.669) 13.067 6.814 ( -3.832 3.547 -7.281) 8.960 6.920 ( -0.988 -1.946 -2.208) 3.105 7.095 ( -2.490 -0.636 1.815) 3.146 7.228 ( -13.041 -1.954 7.924) 15.384 7.482 ( -7.898 0.744 -3.227) 8.564 7.624 ( -11.154 1.544 -2.611) 11.559 7.926 ( 9.899 -0.406 -4.111) 10.726 8.003 ( 5.428 -4.080 3.967) 7.865 8.084 ( 1.572 -3.634 -1.198) 4.137 8.272 ( 2.002 8.339 -0.049) 8.576 8.421 ( -1.865 -6.804 1.468) 7.206 8.600 ( -1.887 1.664 -1.960) 3.189 8.704 ( 0.538 2.464 -1.016) 2.719 8.773 ( 2.380 1.528 4.416) 5.244 9.005 ( 1.113 -5.485 -4.116) 6.947 9.066 ( 3.460 1.309 -0.467) 3.729 9.210 ( 5.065 -4.528 -4.450) 8.122 9.330 ( 2.206 -2.621 0.099) 3.427 9.413 ( -3.709 -1.076 -0.414) 3.884 9.636 ( -4.398 1.664 0.436) 4.723 9.658 ( -1.504 0.794 5.264) 5.532 10.014 ( 3.149 0.625 -6.315) 7.084 10.383 ( 4.087 2.089 15.628) 16.288 10.679 ( 0.046 -9.144 6.185) 11.040 10.786 ( 8.983 2.655 -21.988) 23.900 11.238 ( -4.504 -1.179 9.147) 10.264 11.550 ( -6.858 8.222 -0.478) 10.717 11.789 ( -3.829 1.804 -5.298) 6.781 12.775 ( 2.893 -2.224 9.008) 9.719 13.069 ( 8.074 -5.173 -4.767) 10.708 13.632 ( 0.517 -0.253 1.053) 1.200 13.684 ( 1.722 -0.488 -0.907) 2.007 14.749 ( 3.293 0.301 1.404) 3.592 14.806 ( 2.045 -1.115 -1.114) 2.582 14.876 ( 3.570 0.193 -2.458) 4.339 14.966 ( 3.033 -1.446 5.402) 6.362 21.018 ( -3.805 0.084 0.802) 3.890 21.105 ( 3.314 -0.937 -5.580) 6.558 21.308 ( 4.787 0.292 17.071) 17.732 21.667 ( 9.190 -0.631 1.583) 9.347 22.008 ( -0.221 -0.030 0.000) 0.223 22.022 ( -0.108 0.241 -0.008) 0.264 23.399 ( -3.997 -0.564 3.837) 5.569 23.553 ( 1.079 -1.239 -4.331) 4.632 24.101 ( -0.134 1.449 1.654) 2.203 24.180 ( -1.686 -2.540 -1.512) 3.403 24.386 ( -4.485 -1.414 -5.152) 6.975 24.658 ( 8.416 0.638 1.160) 8.520 24.708 ( 1.269 1.362 -0.485) 1.923 24.830 ( 0.458 -0.887 -1.225) 1.580 24.919 ( 2.912 -1.966 0.433) 3.541 25.010 ( 4.127 -0.260 1.219) 4.311 25.483 ( -17.184 4.842 -20.562) 27.231 25.772 ( -16.291 5.538 11.021) 20.434 ======================= Grid point 186 (90/115) ======================= q-point: ( 0.44 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.569 ( 3.017 -4.921 -5.960) 8.297 1.705 ( 7.573 0.692 -1.401) 7.733 1.817 ( 22.650 -9.126 10.502) 26.582 2.011 ( 9.743 -5.517 -0.041) 11.197 2.257 ( -3.369 -10.665 5.083) 12.286 2.386 ( 5.429 1.574 4.316) 7.112 2.485 ( -3.834 -2.792 4.938) 6.847 2.588 ( -2.025 1.609 -2.748) 3.774 2.843 ( -4.463 -5.337 -11.133) 13.128 3.063 ( 0.849 -1.950 -0.166) 2.133 3.182 ( -1.353 5.135 -5.642) 7.748 3.369 ( -7.696 7.563 5.638) 12.174 3.450 ( -0.331 7.011 -2.876) 7.585 3.636 ( -3.850 2.028 -3.906) 5.847 3.660 ( -3.257 9.532 8.288) 13.044 3.906 ( 1.880 4.970 -8.228) 9.795 3.976 ( -7.284 2.810 -0.568) 7.828 4.096 ( -0.499 2.089 -5.051) 5.489 4.260 ( -5.395 6.859 2.826) 9.173 4.501 ( 2.340 -4.822 0.466) 5.380 4.564 ( 3.609 -4.307 3.334) 6.534 4.633 ( -3.327 -3.538 6.822) 8.374 4.697 ( 4.175 11.250 -2.107) 12.183 4.862 ( -5.455 -0.009 1.380) 5.627 4.958 ( 4.167 -4.369 -2.988) 6.736 5.068 ( 1.500 -8.789 2.392) 9.231 5.258 ( 5.716 -3.139 4.481) 7.912 5.325 ( 1.111 -1.879 -0.974) 2.390 5.401 ( 0.834 -8.889 -5.340) 10.403 5.499 ( 0.873 3.450 -1.817) 3.995 5.610 ( 3.146 1.675 1.589) 3.903 5.734 ( -0.936 2.797 -2.689) 3.991 5.964 ( 1.814 3.453 2.338) 4.547 6.111 ( -8.983 0.198 -0.703) 9.012 6.436 ( 2.269 6.079 2.917) 7.114 6.526 ( -3.416 8.779 0.513) 9.434 6.734 ( -1.313 -0.527 -0.730) 1.592 6.905 ( 2.969 7.481 1.213) 8.140 7.058 ( -6.162 -3.581 1.506) 7.284 7.330 ( -7.086 -11.953 6.169) 15.203 7.372 ( -6.160 2.843 -5.152) 8.519 7.495 ( -4.144 1.399 -3.194) 5.416 7.965 ( 3.609 -0.383 0.190) 3.634 8.111 ( -0.432 -2.259 1.457) 2.723 8.169 ( 1.366 4.686 1.129) 5.010 8.210 ( 7.856 -5.596 -5.894) 11.304 8.513 ( -1.460 -0.928 2.620) 3.140 8.554 ( -2.850 -2.339 -0.097) 3.688 8.675 ( 3.372 2.199 2.118) 4.549 8.794 ( 2.199 0.349 3.132) 3.843 9.035 ( -1.466 -0.917 -5.730) 5.986 9.082 ( -1.201 -1.374 2.159) 2.827 9.295 ( 2.468 -1.351 -2.557) 3.802 9.347 ( -2.628 -1.640 -2.813) 4.185 9.406 ( -0.122 -0.470 1.286) 1.375 9.578 ( -1.103 2.246 -1.095) 2.731 9.681 ( 1.750 -0.755 4.908) 5.265 10.007 ( 0.289 -0.595 -5.236) 5.277 10.431 ( 0.723 0.290 12.896) 12.920 10.766 ( 10.831 2.331 -18.146) 21.261 10.858 ( -2.176 -10.303 6.560) 12.406 11.241 ( -1.940 1.427 7.671) 8.041 11.366 ( -4.323 5.952 -5.596) 9.243 11.664 ( -3.950 5.800 -5.308) 8.799 12.876 ( -0.217 -3.587 12.287) 12.801 13.187 ( 5.223 -4.091 -7.160) 9.761 13.649 ( 0.813 -0.504 1.410) 1.704 13.706 ( 1.584 -0.604 -0.997) 1.966 14.773 ( 2.496 0.772 1.123) 2.843 14.822 ( 0.553 0.023 -1.615) 1.707 14.909 ( 3.008 -1.161 -1.076) 3.399 15.002 ( -0.706 0.368 3.469) 3.559 20.995 ( -3.872 -0.965 2.313) 4.613 21.136 ( 4.450 -1.259 -7.752) 9.026 21.376 ( 2.130 2.958 17.528) 17.903 21.756 ( 7.894 -0.055 -1.304) 8.001 22.007 ( -0.278 -0.112 0.084) 0.312 22.015 ( -0.246 0.363 -0.258) 0.509 23.401 ( -2.740 -1.633 5.237) 6.132 23.577 ( 0.775 -1.915 -2.247) 3.052 24.094 ( -0.823 -0.046 4.055) 4.138 24.205 ( 0.453 -2.215 -3.818) 4.437 24.354 ( -4.439 -1.952 -5.125) 7.056 24.688 ( 2.743 2.042 -1.434) 3.708 24.734 ( 7.324 0.762 1.501) 7.515 24.842 ( -0.897 -1.242 -1.049) 1.857 24.966 ( 0.312 -1.498 1.034) 1.846 25.007 ( -3.394 2.625 -5.083) 6.651 25.250 ( -3.526 0.795 -13.813) 14.278 25.565 ( -13.330 7.068 10.490) 18.377 ======================= Grid point 187 (91/115) ======================= q-point: ( 0.56 0.22 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 10.698 9.136 13.277) 19.344 1.784 ( 3.444 -3.591 -4.744) 6.874 2.107 ( 6.091 -1.332 7.529) 9.775 2.241 ( 7.845 -7.592 -4.845) 11.944 2.350 ( 5.339 -0.503 -6.864) 8.710 2.459 ( 8.774 -5.993 -4.548) 11.558 2.526 ( -14.471 -2.206 1.600) 14.725 2.636 ( 2.721 -8.340 11.296) 14.302 2.757 ( -11.881 -0.546 -6.488) 13.549 3.028 ( -1.691 3.622 -6.880) 7.956 3.106 ( -7.854 4.624 3.361) 9.714 3.266 ( 4.582 -0.162 5.845) 7.428 3.305 ( 8.547 9.485 -6.422) 14.292 3.561 ( -2.291 -1.326 -5.428) 6.039 3.586 ( 1.108 4.866 13.243) 14.152 3.684 ( -2.950 9.882 -12.957) 16.560 3.955 ( -6.061 -3.919 3.189) 7.890 4.012 ( -7.026 3.018 -1.285) 7.754 4.205 ( 2.253 -0.387 -0.472) 2.334 4.531 ( -3.536 4.018 0.112) 5.354 4.584 ( 2.822 1.921 0.130) 3.416 4.633 ( 1.628 -0.660 -1.895) 2.584 4.714 ( -1.291 -5.476 -0.406) 5.641 4.797 ( -0.158 4.496 4.959) 6.696 5.006 ( 3.283 -1.329 2.679) 4.441 5.202 ( 0.030 -1.435 -1.907) 2.387 5.351 ( -0.126 -3.320 -2.899) 4.410 5.385 ( -0.784 2.565 4.242) 5.019 5.474 ( 2.810 -4.777 -9.609) 11.093 5.535 ( 3.750 -5.485 1.853) 6.898 5.661 ( 0.562 -4.849 4.073) 6.358 5.713 ( 1.067 -3.299 -0.209) 3.473 5.798 ( -1.991 11.570 3.543) 12.263 6.116 ( -3.487 -0.321 8.506) 9.199 6.334 ( -4.226 6.180 -2.748) 7.975 6.408 ( 7.895 5.332 -9.934) 13.764 6.731 ( -0.790 0.227 7.463) 7.508 6.845 ( 5.386 4.980 -2.351) 7.703 7.079 ( -5.273 -4.078 -0.254) 6.671 7.248 ( -4.998 1.920 -6.217) 8.205 7.358 ( -11.689 -5.155 7.111) 14.622 7.586 ( 2.651 -7.668 -0.021) 8.114 8.013 ( 1.598 0.147 2.481) 2.955 8.112 ( -0.004 0.456 2.838) 2.874 8.142 ( 0.064 -0.646 -1.379) 1.524 8.300 ( 3.011 -1.547 -6.423) 7.260 8.512 ( 5.942 1.202 -2.428) 6.531 8.566 ( -2.437 -0.597 3.950) 4.680 8.716 ( -1.269 -1.212 7.243) 7.453 8.809 ( -0.169 -0.136 0.178) 0.280 8.999 ( -1.701 1.203 -2.764) 3.462 9.083 ( -2.089 -0.976 -1.894) 2.984 9.302 ( 1.580 0.020 -1.405) 2.114 9.339 ( -1.611 -1.235 -3.879) 4.378 9.430 ( 1.297 0.559 4.296) 4.522 9.533 ( 1.236 2.341 -2.344) 3.536 9.724 ( 2.571 0.528 4.069) 4.842 9.993 ( -3.205 -1.195 -4.081) 5.325 10.491 ( 0.780 -1.130 12.197) 12.274 10.785 ( 11.180 0.976 -13.981) 17.928 10.998 ( -6.229 -8.559 4.277) 11.417 11.178 ( 0.288 6.594 6.206) 9.060 11.272 ( -0.116 0.710 -10.434) 10.459 11.530 ( -4.270 2.804 -4.305) 6.681 12.960 ( -2.762 -2.404 14.559) 15.012 13.246 ( 3.734 -1.462 -8.391) 9.300 13.669 ( 0.684 -0.261 1.529) 1.695 13.721 ( 0.945 0.002 -1.081) 1.436 14.780 ( 1.645 0.807 0.797) 1.998 14.814 ( 0.195 0.915 -0.559) 1.090 14.952 ( 1.936 -1.422 -1.267) 2.716 14.974 ( -2.238 1.856 1.332) 3.198 20.989 ( -3.965 -1.414 3.419) 5.423 21.168 ( 4.767 -0.954 -10.570) 11.635 21.379 ( -0.088 5.247 18.364) 19.099 21.798 ( 6.118 1.049 -8.712) 10.697 22.006 ( -0.332 0.177 -0.306) 0.485 22.007 ( -0.356 -0.192 0.111) 0.419 23.436 ( -1.467 -2.185 7.329) 7.788 23.607 ( 0.752 -1.336 -0.830) 1.744 24.113 ( -1.243 -1.609 2.918) 3.556 24.230 ( 0.881 -1.817 -4.335) 4.782 24.333 ( -2.712 -1.742 -2.501) 4.080 24.652 ( 1.379 4.235 -3.974) 5.969 24.791 ( 4.530 0.204 1.020) 4.648 24.837 ( -2.024 -0.414 -0.152) 2.071 24.906 ( -1.971 0.103 -5.693) 6.025 24.981 ( -1.622 -0.649 1.472) 2.284 25.253 ( 1.821 -1.067 -2.521) 3.288 25.398 ( -7.514 3.033 5.260) 9.660 ======================= Grid point 188 (92/115) ======================= q-point: (-0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 18.250 10.769 24.365) 32.291 1.818 ( -0.318 -0.367 -4.229) 4.257 2.049 ( -7.450 7.363 -2.386) 10.743 2.262 ( 1.604 9.742 -13.466) 16.698 2.313 ( -1.418 9.582 -3.995) 10.478 2.392 ( 1.659 -0.945 0.853) 2.091 2.592 ( 1.365 -4.716 -8.222) 9.576 2.686 ( -7.820 -2.250 5.706) 9.939 2.795 ( -9.108 3.151 -13.764) 16.802 2.855 ( -4.035 -9.770 -1.640) 10.697 3.143 ( 2.897 -5.286 9.825) 11.527 3.229 ( 4.284 3.513 -2.319) 6.006 3.391 ( 8.402 1.570 -0.176) 8.549 3.540 ( 1.074 -2.514 2.886) 3.975 3.628 ( 9.220 -4.046 -8.209) 12.991 3.640 ( -0.403 -2.744 7.573) 8.065 3.950 ( -3.196 -3.731 0.270) 4.920 3.983 ( -5.665 -4.445 5.274) 8.926 4.255 ( 2.974 -1.286 2.113) 3.869 4.404 ( -8.806 5.036 5.144) 11.374 4.530 ( -2.816 4.245 3.634) 6.257 4.618 ( 2.562 0.860 -9.312) 9.696 4.754 ( -0.654 0.983 -2.791) 3.030 4.817 ( 7.040 -0.264 3.636) 7.928 5.080 ( 3.858 -1.829 4.797) 6.422 5.153 ( -0.556 4.249 -7.705) 8.817 5.242 ( -1.547 5.256 5.121) 7.500 5.421 ( -4.038 2.658 2.397) 5.396 5.496 ( -5.414 -3.494 -5.972) 8.786 5.550 ( -3.581 3.056 -3.881) 6.101 5.689 ( 5.501 0.825 8.157) 9.872 5.777 ( -1.216 -8.086 3.000) 8.711 5.886 ( 7.227 -7.387 -2.334) 10.594 6.107 ( -5.612 0.230 7.110) 9.061 6.184 ( -6.170 4.116 -2.867) 7.952 6.387 ( 11.839 2.496 -15.649) 19.782 6.764 ( 0.579 2.723 7.511) 8.010 6.811 ( 5.192 1.706 -1.212) 5.598 7.070 ( -4.015 -2.576 -2.966) 5.617 7.230 ( -3.751 -6.556 -6.525) 9.981 7.406 ( -4.074 -5.445 12.964) 14.640 7.689 ( -1.928 -4.374 0.554) 4.812 7.966 ( -1.626 4.744 5.941) 7.775 8.115 ( 0.825 2.442 -4.964) 5.593 8.201 ( 0.957 -5.246 3.151) 6.194 8.321 ( 0.735 -1.945 -4.442) 4.905 8.553 ( 6.004 0.116 -2.311) 6.435 8.568 ( 1.046 1.177 3.959) 4.261 8.696 ( -2.938 2.422 6.333) 7.389 8.788 ( -4.780 0.484 -2.734) 5.528 8.964 ( -0.690 0.660 0.225) 0.982 9.064 ( 0.498 1.625 -6.948) 7.153 9.300 ( -0.506 0.686 1.765) 1.960 9.353 ( 0.113 -2.805 -3.814) 4.736 9.437 ( 2.307 1.954 3.364) 4.522 9.511 ( 2.274 1.791 -2.401) 3.761 9.740 ( 2.631 1.709 5.181) 6.057 9.957 ( -5.859 -1.355 -3.608) 7.013 10.544 ( -0.214 1.396 13.816) 13.888 10.845 ( 11.044 -0.619 -10.242) 15.075 11.001 ( -7.860 -0.408 1.570) 8.026 11.139 ( 0.761 1.508 -11.270) 11.396 11.266 ( 4.653 -2.009 2.063) 5.472 11.481 ( -4.527 -3.430 -3.927) 6.905 13.000 ( -4.508 -0.073 15.424) 16.070 13.246 ( 3.124 1.674 -8.439) 9.153 13.677 ( 0.223 0.507 1.422) 1.526 13.714 ( 0.316 0.979 -1.183) 1.568 14.789 ( -0.395 0.549 1.547) 1.688 14.791 ( 1.743 1.737 -0.504) 2.512 14.917 ( -1.228 2.963 1.052) 3.375 14.982 ( -0.073 -1.685 -3.034) 3.471 20.989 ( -3.941 -1.297 4.493) 6.116 21.160 ( 1.003 1.225 -9.557) 9.688 21.364 ( 2.439 4.593 15.647) 16.488 21.769 ( 3.793 2.785 -16.588) 17.243 22.004 ( 0.018 -0.157 -0.010) 0.158 22.008 ( -0.324 -0.244 0.051) 0.409 23.485 ( -1.053 -1.608 8.489) 8.704 23.621 ( 0.845 0.130 -1.156) 1.438 24.136 ( -0.201 -1.737 -0.911) 1.972 24.234 ( -3.194 -2.153 -6.265) 7.354 24.361 ( 2.696 -1.177 4.304) 5.213 24.562 ( -1.541 3.948 -4.600) 6.255 24.816 ( -2.265 -2.593 2.615) 4.324 24.862 ( 5.110 1.026 2.416) 5.745 24.904 ( 0.924 -0.489 -2.020) 2.275 24.969 ( -2.600 0.286 0.886) 2.762 25.223 ( -4.048 1.591 10.194) 11.083 25.429 ( 2.045 -7.989 -7.951) 11.455 ======================= Grid point 189 (93/115) ======================= q-point: (-0.22 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 15.476 15.033 15.294) 26.446 1.749 ( 3.916 7.288 -0.548) 8.292 1.839 ( -7.566 5.227 -9.640) 13.323 1.920 ( -5.425 17.678 -9.451) 20.766 2.249 ( 8.903 5.448 2.507) 10.734 2.358 ( -5.084 4.125 -0.017) 6.546 2.512 ( -8.835 2.086 -7.281) 11.637 2.620 ( 0.866 -2.550 -9.459) 9.835 2.839 ( -2.332 -7.120 6.501) 9.919 3.025 ( 3.120 -11.453 -6.131) 13.360 3.190 ( -6.019 -1.679 1.460) 6.417 3.252 ( 6.734 -1.916 -6.018) 9.232 3.494 ( 5.223 -3.165 7.793) 9.901 3.614 ( -5.498 -1.210 -3.253) 6.502 3.654 ( -2.394 -3.939 9.245) 10.331 3.765 ( 3.317 -1.978 -1.661) 4.204 4.010 ( -0.378 -1.904 4.904) 5.274 4.066 ( -0.841 -6.746 -0.434) 6.812 4.270 ( 3.440 3.433 4.630) 6.712 4.308 ( -0.320 2.516 1.583) 2.990 4.517 ( -1.456 -6.321 5.821) 8.716 4.613 ( -4.442 -2.534 -2.060) 5.514 4.723 ( 3.955 2.887 -4.598) 6.717 4.780 ( 2.196 7.222 -6.884) 10.216 5.125 ( 5.410 1.224 2.934) 6.275 5.183 ( 2.202 -4.162 -1.252) 4.872 5.213 ( 5.535 0.286 6.909) 8.857 5.296 ( -4.595 5.913 2.795) 7.993 5.409 ( -1.157 6.504 0.531) 6.628 5.470 ( -7.912 -1.660 -9.244) 12.281 5.775 ( 5.251 3.853 6.902) 9.490 5.926 ( -1.964 -5.188 6.053) 8.211 5.961 ( -5.304 1.820 -9.403) 10.948 6.049 ( -0.354 -10.402 -4.265) 11.248 6.135 ( -9.345 -4.529 9.766) 14.255 6.444 ( 10.837 -1.728 -17.073) 20.296 6.714 ( -1.125 3.461 5.910) 6.941 6.834 ( 3.077 1.441 -5.871) 6.784 7.146 ( 2.477 -7.984 5.780) 10.163 7.291 ( -3.978 -7.929 -8.183) 12.069 7.532 ( 1.602 -4.450 14.387) 15.145 7.706 ( -2.105 -0.684 -1.269) 2.551 7.911 ( -2.027 3.067 7.497) 8.350 8.049 ( 1.390 3.980 -6.513) 7.758 8.243 ( -4.265 1.228 5.937) 7.413 8.323 ( -0.835 0.796 -2.342) 2.610 8.554 ( -4.054 -0.136 2.474) 4.751 8.613 ( 6.380 -0.166 -0.263) 6.387 8.689 ( -8.319 1.570 -1.712) 8.637 8.717 ( 8.218 -1.400 -0.988) 8.395 8.958 ( -0.182 -0.189 -1.461) 1.484 8.978 ( 0.353 5.293 -4.198) 6.765 9.293 ( -2.387 0.607 4.273) 4.932 9.383 ( 1.387 -0.359 -4.705) 4.919 9.436 ( 2.320 0.535 2.179) 3.227 9.495 ( 2.084 1.129 -3.477) 4.208 9.791 ( 6.185 -0.807 6.485) 8.998 9.897 ( -8.335 -0.632 -3.295) 8.986 10.519 ( -2.506 6.949 16.095) 17.709 10.909 ( 1.997 4.233 -20.245) 20.779 10.918 ( -0.925 -1.875 3.735) 4.280 11.092 ( 5.652 0.185 -10.975) 12.346 11.400 ( 2.327 -7.209 6.966) 10.291 11.518 ( -3.084 -7.125 -4.757) 9.105 12.984 ( -5.682 2.903 14.407) 15.757 13.193 ( 3.425 5.192 -7.344) 9.624 13.667 ( -0.338 1.092 1.162) 1.630 13.692 ( 0.401 1.479 -1.220) 1.959 14.753 ( -0.673 2.365 1.288) 2.776 14.782 ( 0.785 2.407 -1.296) 2.844 14.884 ( 1.287 1.943 3.719) 4.389 14.979 ( -1.261 -0.487 -5.678) 5.837 20.983 ( -5.050 -0.712 5.505) 7.504 21.099 ( 0.083 2.667 -4.146) 4.931 21.384 ( 4.583 2.923 8.758) 10.308 21.667 ( 2.095 4.951 -19.899) 20.612 22.008 ( 0.028 -0.202 0.133) 0.244 22.011 ( 0.084 -0.303 -0.155) 0.350 23.515 ( -2.305 -0.139 7.691) 8.030 23.614 ( 1.550 1.069 -2.244) 2.929 24.161 ( -1.610 -1.951 -0.005) 2.530 24.215 ( -0.629 -1.574 -5.681) 5.928 24.423 ( 3.801 -0.447 3.242) 5.015 24.477 ( -2.868 2.489 -2.561) 4.580 24.851 ( 0.732 -0.581 3.336) 3.465 24.874 ( -1.869 1.166 1.822) 2.859 24.903 ( 2.258 2.231 0.588) 3.228 24.933 ( -0.498 1.316 -1.900) 2.364 25.299 ( -1.311 -8.864 16.876) 19.107 25.580 ( 0.932 -12.717 -11.258) 17.009 ======================= Grid point 190 (94/115) ======================= q-point: (-0.11 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -3.038 13.936 -3.510) 14.689 1.545 ( 8.688 18.514 2.588) 20.614 1.696 ( -1.336 4.293 -4.067) 6.062 1.829 ( 12.690 -1.465 -2.175) 12.958 2.223 ( -8.516 0.114 -7.921) 11.631 2.241 ( -4.256 4.960 2.844) 7.128 2.468 ( 6.862 -0.222 1.642) 7.059 2.649 ( 8.380 1.422 -12.013) 14.716 2.917 ( -7.310 -5.359 11.526) 14.663 3.149 ( -5.913 2.228 2.207) 6.693 3.223 ( 4.480 -9.326 -4.980) 11.483 3.339 ( 5.652 -2.757 -4.108) 7.512 3.443 ( -6.214 9.630 12.763) 17.154 3.593 ( -0.444 -2.709 2.096) 3.454 3.702 ( -10.053 -3.884 1.920) 10.947 3.828 ( 3.133 -4.018 -0.003) 5.095 4.072 ( 5.147 1.605 4.016) 6.723 4.113 ( 0.609 -2.676 -1.089) 2.953 4.203 ( -0.201 2.755 0.132) 2.766 4.344 ( 6.655 -0.132 -9.244) 11.391 4.506 ( -9.694 4.603 4.333) 11.573 4.680 ( -1.290 -7.280 1.933) 7.641 4.701 ( 2.633 0.843 -5.558) 6.208 4.846 ( 4.232 -13.543 0.659) 14.204 5.135 ( -6.127 2.776 -3.238) 7.465 5.179 ( 3.573 -0.871 0.505) 3.712 5.222 ( 1.735 2.612 1.623) 3.531 5.303 ( 6.538 4.127 -0.787) 7.772 5.337 ( -8.226 -0.050 -5.753) 10.038 5.495 ( 13.504 -6.466 5.107) 15.819 5.677 ( -0.643 11.761 3.659) 12.334 5.739 ( -3.655 8.703 -8.819) 12.918 6.011 ( -14.002 -3.860 16.208) 21.764 6.200 ( -5.506 -11.719 -3.066) 13.306 6.304 ( 4.265 -11.167 5.931) 13.345 6.500 ( 0.807 -8.052 -15.008) 17.050 6.676 ( -2.749 0.513 6.062) 6.676 6.844 ( 5.388 -1.988 -6.309) 8.531 7.336 ( -5.013 -6.330 -7.549) 11.054 7.361 ( 5.439 -8.332 5.159) 11.208 7.635 ( -2.563 -3.401 2.641) 5.012 7.677 ( 4.016 4.163 2.993) 6.513 7.857 ( -5.427 2.791 4.804) 7.766 7.980 ( 2.762 3.879 -3.370) 5.834 8.167 ( -5.407 4.010 6.382) 9.276 8.273 ( 0.705 3.211 0.645) 3.350 8.481 ( -9.371 2.773 1.668) 9.914 8.608 ( -1.855 -0.974 -2.420) 3.201 8.693 ( 1.040 -2.524 1.860) 3.303 8.789 ( 2.550 0.171 -2.830) 3.813 8.951 ( 3.139 1.526 -1.463) 3.785 8.960 ( 6.023 -0.678 -1.479) 6.239 9.276 ( -0.669 0.140 3.816) 3.877 9.351 ( 3.703 3.834 -2.551) 5.909 9.473 ( 0.510 -0.559 -1.612) 1.781 9.510 ( 2.898 -2.320 -3.315) 4.978 9.794 ( -10.252 1.099 -2.153) 10.533 9.909 ( 9.016 -1.007 7.927) 12.047 10.380 ( -6.776 11.917 14.775) 20.155 10.743 ( 5.478 8.818 -22.202) 24.509 10.943 ( -4.361 -2.563 1.747) 5.351 11.151 ( 6.342 -3.067 -8.433) 10.989 11.556 ( -2.968 -7.951 2.977) 8.994 11.623 ( 1.322 -9.401 -0.155) 9.495 12.898 ( -5.871 6.662 11.193) 14.287 13.098 ( 5.098 8.497 -4.997) 11.098 13.648 ( -0.603 0.992 0.611) 1.311 13.672 ( 0.899 1.205 -0.857) 1.731 14.714 ( -0.331 2.332 0.493) 2.406 14.739 ( 1.877 3.099 -0.206) 3.629 14.879 ( 1.581 3.177 4.191) 5.492 14.935 ( -0.142 1.961 -6.815) 7.093 20.953 ( -4.961 0.149 4.782) 6.892 21.075 ( 2.642 1.401 0.502) 3.033 21.396 ( 1.251 2.347 1.830) 3.229 21.528 ( 4.032 6.845 -14.750) 16.754 22.011 ( -0.081 -0.199 0.144) 0.258 22.016 ( 0.200 -0.179 -0.194) 0.331 23.501 ( -3.601 0.827 4.923) 6.156 23.605 ( 1.863 1.276 -2.082) 3.072 24.145 ( -5.980 -1.624 -0.692) 6.236 24.265 ( 6.552 -1.515 -0.378) 6.736 24.398 ( -4.218 2.070 -0.798) 4.766 24.476 ( 3.984 -0.530 -0.277) 4.028 24.805 ( -4.558 2.307 -0.643) 5.149 24.869 ( 0.290 1.157 1.743) 2.112 24.886 ( 4.419 3.335 1.285) 5.683 24.907 ( 1.729 2.394 -1.330) 3.239 25.565 ( -3.330 -16.995 18.841) 25.591 25.761 ( -2.880 -15.466 -12.436) 20.053 ======================= Grid point 194 (95/115) ======================= q-point: ( 0.33 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.440 ( 14.715 -0.000 -11.226) 18.508 1.535 ( 18.295 -0.000 -0.908) 18.317 1.708 ( 5.298 -0.000 18.520) 19.263 1.895 ( 4.714 -0.000 8.574) 9.785 2.186 ( 8.006 -0.000 3.301) 8.660 2.409 ( -10.408 0.000 -7.699) 12.946 2.491 ( -7.550 0.000 -0.122) 7.551 2.552 ( -0.372 0.000 4.757) 4.772 2.874 ( 13.255 -0.000 -18.592) 22.833 2.974 ( -6.023 0.000 12.136) 13.548 3.296 ( 3.388 -0.000 -17.581) 17.905 3.432 ( -9.429 0.000 -3.717) 10.135 3.545 ( -7.080 0.000 13.488) 15.234 3.599 ( 4.247 -0.000 -3.071) 5.241 3.873 ( -12.091 0.000 -3.303) 12.534 3.947 ( -3.605 0.000 -5.186) 6.316 4.145 ( 8.923 -0.000 -5.761) 10.621 4.212 ( 0.112 -0.000 -1.633) 1.637 4.393 ( -0.933 0.000 7.786) 7.842 4.430 ( -1.008 0.000 0.013) 1.008 4.522 ( 1.184 -0.000 9.448) 9.522 4.611 ( 2.211 -0.000 1.020) 2.435 4.632 ( -14.002 0.000 10.348) 17.411 4.786 ( -0.395 0.000 13.149) 13.155 5.002 ( -8.585 0.000 -4.104) 9.516 5.049 ( 11.490 -0.000 -4.539) 12.354 5.097 ( 6.876 -0.000 0.933) 6.939 5.164 ( 1.434 -0.000 -0.962) 1.727 5.342 ( 2.760 -0.000 1.826) 3.309 5.589 ( 0.241 -0.000 -2.848) 2.858 5.699 ( -0.532 0.000 -12.336) 12.348 5.758 ( 4.426 -0.000 -2.881) 5.281 5.930 ( 6.808 -0.000 -3.679) 7.739 6.325 ( -17.815 0.000 4.822) 18.456 6.350 ( 2.930 -0.000 8.490) 8.982 6.767 ( -6.868 0.000 -8.600) 11.005 6.863 ( 2.856 -0.000 -3.799) 4.753 6.911 ( 8.785 -0.000 1.168) 8.862 6.967 ( -12.904 0.000 10.160) 16.424 7.179 ( -7.013 0.000 5.901) 9.165 7.402 ( -7.167 0.000 -3.260) 7.873 7.524 ( -8.708 0.000 -3.542) 9.401 8.004 ( 1.406 -0.000 3.719) 3.976 8.032 ( 12.248 -0.000 -2.869) 12.580 8.062 ( 0.859 -0.000 -2.556) 2.696 8.335 ( 0.808 -0.000 2.159) 2.305 8.346 ( -5.788 0.000 -2.782) 6.422 8.565 ( -1.430 0.000 -4.736) 4.947 8.759 ( 3.477 -0.000 2.542) 4.307 8.815 ( 0.257 -0.000 4.114) 4.122 8.977 ( 4.184 -0.000 -3.463) 5.431 9.124 ( 2.359 -0.000 -1.937) 3.052 9.161 ( 3.014 -0.000 -8.507) 9.025 9.321 ( -0.362 0.000 0.952) 1.019 9.388 ( -1.384 0.000 3.857) 4.098 9.596 ( -4.941 0.000 0.005) 4.941 9.683 ( -0.871 0.000 8.735) 8.778 10.026 ( 3.062 -0.000 -9.020) 9.526 10.508 ( 0.596 -0.000 17.528) 17.538 10.590 ( -0.628 0.000 3.785) 3.837 10.829 ( 10.843 -0.000 -20.680) 23.351 11.203 ( -5.759 0.000 6.783) 8.898 11.558 ( -8.554 0.000 4.360) 9.601 11.764 ( 0.867 -0.000 -8.123) 8.170 12.817 ( 2.025 -0.000 9.323) 9.541 13.079 ( 7.065 -0.000 -5.836) 9.163 13.641 ( 0.846 -0.000 1.388) 1.626 13.693 ( 1.733 -0.000 -1.006) 2.004 14.790 ( 3.252 -0.000 1.945) 3.789 14.814 ( 1.702 -0.000 -0.519) 1.779 14.890 ( 2.283 -0.000 -3.471) 4.154 15.001 ( 1.455 -0.000 5.289) 5.485 20.983 ( -4.044 0.000 1.648) 4.367 21.097 ( 2.957 -0.000 -8.701) 9.190 21.437 ( 3.783 -0.000 25.288) 25.570 21.765 ( 11.146 -0.000 0.256) 11.149 22.006 ( -0.147 0.000 -0.063) 0.160 22.023 ( -0.059 0.000 0.037) 0.069 23.368 ( -4.289 0.000 4.703) 6.365 23.536 ( 1.395 -0.000 -6.037) 6.196 24.120 ( -2.770 0.000 -0.856) 2.899 24.135 ( 1.835 -0.000 -1.760) 2.543 24.320 ( -4.064 0.000 -2.489) 4.765 24.721 ( 2.320 -0.000 -0.152) 2.325 24.744 ( 5.465 -0.000 0.123) 5.466 24.822 ( 0.129 -0.000 -1.361) 1.367 24.930 ( 2.389 -0.000 -0.310) 2.409 25.047 ( 1.547 -0.000 -0.770) 1.729 25.299 ( -11.650 0.000 -19.187) 22.447 25.696 ( -16.606 0.000 9.987) 19.378 ======================= Grid point 195 (96/115) ======================= q-point: ( 0.44 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 9.764 -0.849 -3.980) 10.578 1.779 ( 12.779 -4.837 9.524) 16.655 1.933 ( 19.864 -7.387 11.976) 24.343 2.021 ( 4.988 -2.753 4.557) 7.295 2.151 ( 1.444 0.555 -5.673) 5.880 2.356 ( -8.289 -2.914 4.337) 9.798 2.480 ( -7.408 -6.608 -5.942) 11.569 2.577 ( 5.627 2.771 10.184) 11.961 2.827 ( 6.751 6.898 -11.542) 15.046 3.005 ( -3.311 -4.011 3.075) 6.042 3.213 ( -3.006 4.716 -10.110) 11.553 3.342 ( -8.837 -0.398 -0.745) 8.878 3.495 ( -7.440 2.507 2.280) 8.175 3.586 ( -6.825 1.603 -5.570) 8.954 3.721 ( -7.255 -0.998 -0.742) 7.361 3.918 ( -1.677 1.669 0.458) 2.410 4.074 ( 0.101 10.593 -5.109) 11.761 4.173 ( 5.129 5.192 -5.109) 8.909 4.375 ( -1.860 8.584 3.056) 9.300 4.405 ( -0.659 -2.262 -2.846) 3.695 4.502 ( -3.103 -3.900 3.227) 5.937 4.601 ( -3.463 -2.594 11.586) 12.368 4.751 ( -7.306 -4.438 0.047) 8.548 4.859 ( 5.741 -1.911 5.003) 7.852 4.907 ( 1.719 -1.405 -0.538) 2.284 5.104 ( 7.450 5.037 7.022) 11.409 5.214 ( 5.251 -5.854 -5.718) 9.723 5.261 ( 7.850 -5.927 1.731) 9.987 5.385 ( 3.316 -0.433 -0.855) 3.451 5.541 ( -0.925 2.299 -3.645) 4.407 5.684 ( 0.839 -0.292 -5.049) 5.127 5.739 ( -1.178 2.856 -2.353) 3.883 5.991 ( 7.285 -1.932 -2.641) 7.987 6.090 ( -13.282 7.935 4.697) 16.169 6.489 ( 1.638 -6.192 7.663) 9.987 6.643 ( -4.159 7.935 1.066) 9.022 6.759 ( -0.244 7.203 -1.077) 7.287 6.900 ( -3.886 -5.201 -3.442) 7.349 7.069 ( -6.753 5.033 7.859) 11.519 7.125 ( 1.158 -6.214 1.655) 6.534 7.333 ( -4.468 0.425 -5.319) 6.959 7.458 ( -2.189 -0.408 -4.256) 4.803 8.000 ( 1.665 1.239 0.383) 2.110 8.079 ( -0.150 -1.847 -0.975) 2.094 8.170 ( 6.743 -4.680 -0.889) 8.256 8.245 ( -3.407 3.259 -3.713) 6.001 8.406 ( -0.752 -5.704 5.186) 7.745 8.541 ( -0.157 0.278 -4.736) 4.747 8.774 ( 3.372 3.212 2.571) 5.319 8.821 ( -0.361 0.119 3.229) 3.251 9.003 ( 1.088 -0.434 -2.248) 2.535 9.086 ( 0.925 2.146 -3.005) 3.806 9.228 ( 0.441 -5.559 -5.301) 7.694 9.303 ( -3.442 -0.035 -1.017) 3.589 9.409 ( 1.102 -0.838 4.413) 4.625 9.568 ( -1.863 -0.755 -1.463) 2.486 9.706 ( -0.459 0.214 10.308) 10.321 10.008 ( 2.140 1.199 -8.317) 8.671 10.506 ( -0.626 2.689 13.005) 13.295 10.699 ( -0.157 -7.642 3.345) 8.343 10.847 ( 9.834 1.387 -14.847) 17.862 11.186 ( -5.802 -2.854 0.290) 6.472 11.452 ( -4.696 6.747 6.348) 10.386 11.711 ( 0.719 4.490 -8.748) 9.859 12.876 ( -0.054 -1.664 11.598) 11.717 13.144 ( 4.619 -3.430 -7.367) 9.347 13.657 ( 0.940 -0.277 1.672) 1.938 13.708 ( 1.386 -0.429 -1.119) 1.832 14.814 ( 1.928 0.846 1.419) 2.539 14.824 ( 0.655 0.043 -0.692) 0.954 14.911 ( 2.762 -0.921 -1.762) 3.403 15.015 ( -1.138 0.504 3.098) 3.338 20.958 ( -3.572 -0.361 3.120) 4.756 21.107 ( 2.961 -1.844 -10.092) 10.678 21.528 ( 1.218 3.063 25.383) 25.596 21.856 ( 10.846 1.660 -2.307) 11.213 22.005 ( -0.125 0.034 -0.014) 0.130 22.020 ( 0.081 0.491 -0.263) 0.563 23.363 ( -3.513 -1.673 6.316) 7.418 23.543 ( 1.365 -1.856 -5.324) 5.801 24.088 ( -1.861 0.148 -0.523) 1.938 24.155 ( -0.073 -2.153 -5.958) 6.336 24.295 ( -1.799 -0.599 2.056) 2.797 24.730 ( 1.838 0.688 0.021) 1.963 24.791 ( 4.037 -0.381 -3.580) 5.409 24.818 ( -0.908 -0.270 -1.286) 1.597 24.945 ( -3.014 0.323 -3.484) 4.619 24.964 ( -5.851 1.014 -7.365) 9.461 25.235 ( 6.576 0.317 -5.014) 8.275 25.551 ( -14.866 3.374 8.989) 17.697 ======================= Grid point 196 (97/115) ======================= q-point: ( 0.56 0.33 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( 6.887 -2.684 2.081) 7.679 1.927 ( 7.491 1.088 10.286) 12.771 2.118 ( -3.771 -3.542 -3.651) 6.332 2.179 ( 6.254 -5.597 7.679) 11.376 2.296 ( 14.770 -6.751 -5.362) 17.102 2.382 ( -5.869 -5.251 7.354) 10.775 2.466 ( -5.640 -3.079 -9.188) 11.212 2.649 ( 8.108 2.554 12.722) 15.301 2.722 ( 1.200 7.332 -7.862) 10.817 3.012 ( -5.681 2.937 -10.629) 12.405 3.081 ( -8.104 -2.949 6.555) 10.832 3.281 ( -1.893 -1.695 7.432) 7.855 3.422 ( 4.319 -0.491 -12.376) 13.117 3.508 ( -4.381 1.912 6.191) 7.822 3.672 ( -8.113 1.382 0.476) 8.243 3.838 ( -1.557 12.640 -10.352) 16.412 3.869 ( -0.618 1.685 2.036) 2.714 4.045 ( -3.286 8.503 -3.313) 9.699 4.298 ( 5.693 4.445 1.983) 7.490 4.455 ( 2.125 -2.929 -4.503) 5.777 4.553 ( -2.551 -4.881 -5.149) 7.539 4.596 ( -11.329 0.372 0.723) 11.358 4.707 ( 3.067 -0.041 10.465) 10.905 4.894 ( 2.213 2.691 4.418) 5.626 5.044 ( 5.157 -4.384 -3.002) 7.404 5.137 ( 3.272 0.014 3.659) 4.909 5.269 ( -1.080 -1.760 -7.133) 7.426 5.415 ( 1.754 -2.641 0.584) 3.224 5.453 ( 4.760 0.646 -3.069) 5.700 5.510 ( 2.697 -3.246 -1.677) 4.541 5.664 ( -2.092 0.494 0.724) 2.268 5.686 ( 2.566 -0.037 0.577) 2.630 5.909 ( -6.712 4.354 7.840) 11.202 6.094 ( 2.377 -3.045 -0.256) 3.871 6.440 ( -5.685 11.798 7.175) 14.933 6.582 ( 10.001 5.408 -2.908) 11.735 6.705 ( -0.268 -2.010 0.320) 2.052 6.923 ( -7.854 -5.153 -0.328) 9.399 6.973 ( 2.500 3.853 -1.640) 4.877 7.167 ( -8.780 -2.010 3.209) 9.562 7.261 ( -3.582 1.618 1.544) 4.223 7.500 ( 4.578 -5.486 -8.813) 11.345 8.020 ( 1.315 -1.427 1.859) 2.687 8.103 ( -0.337 -1.620 0.277) 1.678 8.161 ( -2.110 2.621 0.358) 3.384 8.276 ( 2.825 -2.658 -4.341) 5.821 8.506 ( -1.967 -5.201 4.114) 6.917 8.532 ( 1.850 -0.785 -3.400) 3.950 8.753 ( 1.452 3.284 4.581) 5.820 8.826 ( -1.031 0.260 2.129) 2.379 8.996 ( -0.279 0.655 -1.165) 1.365 9.055 ( -0.155 0.405 -3.110) 3.140 9.273 ( -1.905 -2.940 -1.548) 3.830 9.299 ( 0.887 -1.645 -3.301) 3.793 9.451 ( 0.434 -0.767 5.021) 5.097 9.557 ( 0.464 0.347 -3.299) 3.349 9.746 ( -0.152 -1.152 8.692) 8.770 9.968 ( -0.497 1.817 -6.055) 6.341 10.524 ( -1.199 -0.243 12.369) 12.429 10.809 ( 4.012 -4.613 -10.125) 11.828 10.887 ( 5.439 -1.308 -0.092) 5.595 11.175 ( -5.859 -3.575 -8.082) 10.603 11.327 ( -0.730 7.695 9.530) 12.271 11.582 ( 0.661 7.489 -9.266) 11.932 12.946 ( -2.534 -2.531 14.113) 14.560 13.207 ( 2.861 -3.324 -8.666) 9.712 13.677 ( 0.661 -0.359 1.803) 1.954 13.721 ( 0.669 -0.376 -1.281) 1.493 14.812 ( 0.771 1.085 0.734) 1.520 14.824 ( 0.210 0.315 -0.357) 0.520 14.947 ( 2.500 -0.640 -0.738) 2.684 14.989 ( -2.164 1.357 1.091) 2.778 20.950 ( -3.539 -0.853 5.189) 6.339 21.134 ( 3.337 -2.336 -12.094) 12.762 21.539 ( -1.805 5.522 23.008) 23.731 21.888 ( 10.206 4.183 -8.892) 14.168 22.002 ( -0.307 0.088 0.149) 0.353 22.009 ( -0.015 0.482 -0.569) 0.746 23.402 ( -2.431 -3.117 9.014) 9.843 23.579 ( 1.547 -2.625 -3.745) 4.828 24.079 ( -1.732 -1.220 -0.130) 2.123 24.155 ( -2.235 -2.519 -8.670) 9.301 24.324 ( 1.990 -0.968 6.605) 6.965 24.706 ( -2.900 4.097 -8.827) 10.155 24.759 ( -1.773 -1.461 -3.701) 4.356 24.812 ( -1.159 -1.449 -2.588) 3.185 24.897 ( 2.639 -0.487 0.625) 2.755 24.958 ( -1.645 -0.639 0.257) 1.783 25.293 ( 8.475 1.211 -1.746) 8.737 25.392 ( -11.183 3.730 6.655) 13.537 ======================= Grid point 197 (98/115) ======================= q-point: (-0.33 -0.67 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 8.252 -3.136 8.740) 12.423 1.971 ( -3.634 1.131 0.975) 3.929 2.063 ( -1.784 2.616 5.578) 6.414 2.285 ( -4.132 4.330 -4.215) 7.320 2.361 ( -1.869 -4.832 4.532) 6.884 2.450 ( 4.755 1.178 -2.360) 5.438 2.490 ( 4.277 -0.859 -5.946) 7.375 2.606 ( -2.600 -1.583 -3.875) 4.927 2.699 ( 0.766 -3.421 0.624) 3.561 2.812 ( -3.500 10.310 -11.796) 16.053 3.131 ( -5.123 -3.288 15.599) 16.745 3.355 ( -0.475 3.307 3.042) 4.518 3.468 ( 1.134 7.402 -1.792) 7.699 3.493 ( 9.951 -5.165 -8.843) 14.279 3.577 ( -5.900 -4.308 1.540) 7.466 3.684 ( 7.485 1.315 -2.808) 8.102 3.891 ( -6.450 0.814 -0.686) 6.537 3.901 ( 2.500 -2.233 -0.211) 3.358 4.303 ( -0.014 1.551 6.838) 7.012 4.424 ( -0.713 4.607 -0.245) 4.668 4.513 ( -4.014 -0.628 -3.150) 5.141 4.593 ( 0.970 -2.111 -9.860) 10.130 4.774 ( -0.835 1.208 10.867) 10.966 4.905 ( 6.606 -0.595 3.011) 7.284 5.106 ( 0.563 -1.225 -4.396) 4.598 5.154 ( 0.482 0.128 -7.479) 7.495 5.240 ( -2.412 -0.128 2.580) 3.534 5.371 ( -2.864 3.364 -2.676) 5.165 5.456 ( -2.193 -1.233 4.716) 5.346 5.572 ( 1.247 -1.313 -3.204) 3.680 5.686 ( -0.765 -2.561 2.818) 3.884 5.751 ( 3.172 -1.442 -5.711) 6.690 5.915 ( 4.972 -1.669 12.335) 13.404 6.088 ( -5.636 2.418 4.641) 7.691 6.221 ( -7.356 9.870 2.347) 12.531 6.520 ( 12.473 7.275 -16.568) 21.977 6.793 ( -0.811 -2.851 8.880) 9.361 6.913 ( 3.036 2.712 6.031) 7.276 6.974 ( -0.981 -2.863 -8.436) 8.962 7.085 ( -4.867 -1.418 -8.722) 10.088 7.305 ( -4.801 -6.621 17.705) 19.503 7.598 ( 2.961 -5.511 -8.784) 10.784 8.039 ( -0.977 2.263 4.268) 4.929 8.121 ( -0.190 -0.597 -2.787) 2.857 8.147 ( -0.339 -2.423 5.128) 5.682 8.286 ( 0.237 -0.475 -7.061) 7.081 8.546 ( -1.162 -1.046 2.391) 2.857 8.593 ( 2.840 -3.852 -2.133) 5.239 8.710 ( -3.877 3.514 8.260) 9.778 8.809 ( 0.438 1.551 -0.610) 1.723 8.977 ( -0.497 1.111 1.312) 1.790 9.061 ( 2.818 -0.667 -6.900) 7.483 9.294 ( -1.842 -1.284 -0.118) 2.249 9.317 ( 2.125 -0.985 -2.629) 3.521 9.468 ( -1.569 0.048 4.239) 4.521 9.551 ( 3.175 0.907 -4.130) 5.287 9.789 ( 0.323 -0.511 7.010) 7.036 9.900 ( -3.699 1.680 -3.642) 5.456 10.568 ( -3.392 -1.901 12.103) 12.712 10.868 ( 6.359 -2.860 -16.404) 17.824 10.946 ( 0.031 0.803 7.397) 7.441 11.129 ( -1.656 -0.525 -8.464) 8.640 11.301 ( 3.219 0.351 5.491) 6.375 11.445 ( 0.095 5.228 -8.642) 10.101 13.000 ( -4.592 -1.500 15.517) 16.251 13.240 ( 2.201 -1.699 -9.170) 9.582 13.689 ( 0.039 0.080 1.735) 1.737 13.721 ( 0.070 0.174 -1.445) 1.457 14.801 ( -0.951 0.937 1.164) 1.771 14.821 ( 1.536 0.319 -0.845) 1.782 14.944 ( -1.647 1.629 0.809) 2.454 14.968 ( 1.335 0.376 -1.339) 1.927 20.953 ( -3.911 -0.979 7.264) 8.307 21.146 ( 2.684 -0.616 -11.681) 12.001 21.499 ( -3.468 4.762 17.987) 18.927 21.847 ( 9.383 6.490 -15.929) 19.593 22.002 ( 0.179 -0.177 0.065) 0.260 22.004 ( 0.019 0.020 -0.191) 0.193 23.469 ( -1.850 -2.829 10.559) 11.087 23.616 ( 1.479 -1.452 -3.412) 3.992 24.088 ( -2.856 -2.201 -0.206) 3.612 24.147 ( -0.667 -2.423 -6.938) 7.379 24.400 ( 3.876 -1.104 8.660) 9.551 24.570 ( -4.982 2.928 -7.977) 9.850 24.778 ( 0.252 -1.382 1.449) 2.018 24.831 ( -0.423 -3.389 -3.736) 5.062 24.932 ( -1.652 -0.460 2.084) 2.699 24.957 ( 2.238 -0.207 -0.387) 2.281 25.249 ( -6.998 2.885 7.434) 10.610 25.369 ( 6.805 -0.383 -4.876) 8.380 ======================= Grid point 198 (99/115) ======================= q-point: (-0.22 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( -4.602 2.321 -6.164) 8.035 1.880 ( 6.683 5.024 7.086) 10.960 2.050 ( -7.766 8.211 -10.395) 15.355 2.123 ( 9.569 11.117 8.318) 16.862 2.322 ( -9.832 9.233 -4.648) 14.266 2.359 ( -6.702 0.999 6.004) 9.053 2.488 ( -3.516 -3.994 2.092) 5.718 2.569 ( 8.233 4.910 -5.845) 11.227 2.779 ( 5.074 -4.926 2.000) 7.349 2.868 ( 11.098 -10.228 -6.396) 16.391 3.139 ( -5.824 0.232 3.438) 6.767 3.302 ( 0.270 0.879 -1.093) 1.428 3.381 ( -2.693 -1.045 -1.243) 3.144 3.564 ( -1.543 -1.615 -5.812) 6.226 3.600 ( -6.098 -3.605 3.271) 7.803 3.768 ( 2.907 -1.054 -4.389) 5.369 3.925 ( 0.551 -4.937 3.089) 5.850 4.037 ( 10.081 -6.860 -0.547) 12.206 4.274 ( -5.603 -1.710 3.231) 6.690 4.384 ( 1.929 4.986 7.688) 9.364 4.479 ( -0.248 0.271 0.536) 0.650 4.570 ( -1.091 1.004 -2.730) 3.106 4.768 ( 0.584 1.518 -0.493) 1.700 4.919 ( 2.851 6.319 -9.437) 11.710 5.107 ( -2.385 -2.766 -2.248) 4.289 5.154 ( 1.196 -2.499 -0.177) 2.776 5.257 ( -0.384 1.048 5.177) 5.296 5.315 ( 2.269 0.591 2.858) 3.697 5.452 ( -0.430 1.117 3.240) 3.454 5.538 ( 1.994 5.893 -2.458) 6.689 5.755 ( -3.598 -7.090 4.579) 9.175 5.834 ( 4.851 -6.481 1.123) 8.173 5.955 ( -9.194 5.126 -6.864) 12.566 5.992 ( -0.350 1.064 2.967) 3.171 6.049 ( -5.444 3.514 9.061) 11.139 6.487 ( 8.789 2.596 -17.876) 20.088 6.778 ( -2.928 3.036 5.399) 6.851 6.879 ( 0.988 4.643 -4.491) 6.535 7.049 ( 1.047 -7.635 4.214) 8.783 7.138 ( 3.399 -6.718 -5.364) 9.245 7.448 ( -5.412 -7.974 14.578) 17.476 7.680 ( 4.576 -3.552 -3.351) 6.692 7.989 ( -1.090 4.170 6.247) 7.589 8.090 ( 0.924 2.860 -5.179) 5.988 8.205 ( -3.831 -2.952 6.017) 7.720 8.283 ( -1.808 -2.647 -4.077) 5.186 8.514 ( -6.332 1.126 1.757) 6.667 8.662 ( 2.271 -0.198 -4.341) 4.903 8.666 ( -1.246 2.058 6.339) 6.780 8.797 ( 6.495 0.977 -1.090) 6.658 8.967 ( 0.090 0.705 2.116) 2.233 9.037 ( 1.573 2.781 -6.320) 7.081 9.298 ( -0.815 0.206 1.952) 2.125 9.347 ( 1.482 -1.864 -2.833) 3.701 9.457 ( -0.936 -0.127 -0.288) 0.987 9.536 ( 1.684 2.450 -3.795) 4.820 9.818 ( -5.734 -0.038 -1.348) 5.891 9.852 ( 4.502 -0.625 5.306) 6.986 10.585 ( -6.724 -0.105 12.358) 14.069 10.864 ( -2.873 1.302 -9.601) 10.106 10.932 ( 1.940 0.811 -0.643) 2.199 11.138 ( 7.689 0.556 -8.688) 11.615 11.376 ( 1.261 -0.954 -3.080) 3.462 11.392 ( 2.376 -4.362 0.870) 5.043 13.012 ( -5.947 0.774 15.266) 16.402 13.239 ( 2.515 0.583 -8.640) 9.017 13.684 ( -0.664 0.854 1.283) 1.678 13.709 ( 0.241 0.738 -1.257) 1.478 14.774 ( -1.644 1.252 1.179) 2.379 14.825 ( 1.709 1.239 -1.946) 2.871 14.922 ( 0.174 0.394 2.590) 2.625 14.957 ( 0.227 1.106 -2.576) 2.813 20.953 ( -4.514 -0.335 7.979) 9.173 21.127 ( 1.938 1.247 -5.482) 5.947 21.457 ( -3.741 2.040 7.461) 8.592 21.759 ( 9.419 7.646 -16.754) 20.685 22.005 ( -0.014 -0.154 -0.105) 0.187 22.010 ( 0.703 -0.189 -0.277) 0.779 23.514 ( -2.678 -0.631 8.554) 8.985 23.629 ( 1.457 -0.134 -3.055) 3.388 24.083 ( -5.253 -2.120 -0.232) 5.670 24.192 ( 4.211 -2.879 -2.102) 5.517 24.459 ( -1.928 1.517 -0.503) 2.505 24.477 ( 0.739 0.523 1.335) 1.613 24.829 ( 0.516 -3.105 3.855) 4.976 24.861 ( -1.728 -0.463 -0.904) 2.004 24.910 ( -2.527 -1.465 -1.901) 3.485 24.978 ( 2.860 1.513 0.626) 3.295 25.230 ( -3.469 -3.796 9.448) 10.756 25.426 ( 4.412 -2.981 -7.992) 9.603 ======================= Grid point 199 (100/115) ======================= q-point: (-0.11 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.642 ( -9.134 15.229 -14.897) 23.179 1.757 ( -1.529 5.486 -9.135) 10.765 1.925 ( 11.879 0.280 4.812) 12.820 2.023 ( 13.179 19.149 1.530) 23.296 2.131 ( -4.266 3.236 -3.429) 6.358 2.283 ( -6.341 4.252 8.565) 11.473 2.534 ( -0.903 -3.328 -1.203) 3.653 2.655 ( 10.933 -1.651 5.886) 12.526 2.883 ( 0.651 -1.838 2.641) 3.283 3.086 ( -3.476 -2.615 0.936) 4.449 3.121 ( 8.168 -7.831 -4.992) 12.368 3.312 ( -3.502 -2.344 -5.803) 7.172 3.398 ( -2.835 -3.737 -1.656) 4.974 3.508 ( -7.555 -0.263 3.799) 8.460 3.621 ( -5.880 -4.815 2.228) 7.920 3.782 ( -2.023 -3.250 -2.612) 4.634 4.017 ( 1.046 -5.202 2.605) 5.911 4.169 ( 4.964 0.012 -0.643) 5.005 4.282 ( 0.673 2.953 0.698) 3.108 4.395 ( 4.210 -3.131 0.240) 5.253 4.491 ( -0.883 2.936 3.087) 4.351 4.530 ( -5.210 -1.011 1.353) 5.477 4.709 ( 2.011 -1.305 -7.410) 7.788 4.870 ( 5.668 3.021 -0.683) 6.459 5.046 ( -7.083 1.871 -4.244) 8.467 5.198 ( 0.338 -0.417 -4.969) 4.998 5.204 ( 0.190 0.658 -1.745) 1.875 5.415 ( 5.210 2.551 0.883) 5.868 5.425 ( 2.234 7.347 2.854) 8.192 5.519 ( 5.378 -5.472 8.074) 11.138 5.761 ( -6.905 4.660 -3.206) 8.926 5.841 ( -9.138 5.317 9.395) 14.144 5.905 ( 1.384 -6.720 8.924) 11.256 6.012 ( -1.407 -0.260 -2.053) 2.502 6.100 ( 1.378 -15.343 -0.188) 15.405 6.446 ( 2.375 2.196 -13.022) 13.418 6.724 ( -1.450 3.727 2.950) 4.970 6.815 ( -0.610 -0.705 -5.801) 5.876 7.179 ( -0.613 -6.066 -3.425) 6.993 7.296 ( 4.987 -7.944 5.365) 10.806 7.523 ( -5.975 -4.554 0.900) 7.567 7.759 ( 1.994 0.026 4.864) 5.257 7.931 ( 0.309 5.210 6.482) 8.322 8.028 ( 1.091 3.258 -5.054) 6.111 8.209 ( -2.526 0.828 6.084) 6.639 8.286 ( -4.244 -1.217 1.458) 4.649 8.439 ( -5.787 0.801 -0.633) 5.876 8.598 ( -1.563 3.753 -0.556) 4.103 8.667 ( 0.473 -0.682 0.314) 0.887 8.840 ( 2.577 3.064 -1.090) 4.149 8.996 ( 6.302 -1.981 -2.076) 6.925 9.019 ( 5.471 1.327 -0.394) 5.643 9.276 ( -2.416 0.674 4.092) 4.800 9.375 ( 1.059 -1.715 -4.592) 5.015 9.476 ( 1.304 -1.531 -0.803) 2.165 9.495 ( 0.986 1.317 -5.063) 5.323 9.728 ( -7.100 1.925 -2.188) 7.674 9.974 ( 7.550 -3.104 6.465) 10.413 10.514 ( -8.718 5.793 11.484) 15.538 10.755 ( -2.131 2.738 -11.569) 12.078 10.945 ( 2.331 0.365 -1.683) 2.898 11.153 ( 5.564 1.186 -7.451) 9.375 11.422 ( -0.899 -5.817 -5.170) 7.834 11.524 ( 3.400 -6.179 4.996) 8.643 12.970 ( -6.071 3.689 13.427) 15.190 13.210 ( 3.738 3.019 -7.133) 8.600 13.663 ( -0.677 1.196 0.697) 1.541 13.696 ( 0.726 1.003 -0.833) 1.492 14.742 ( -0.840 1.502 0.651) 1.840 14.803 ( 1.733 2.178 -0.833) 2.905 14.920 ( -0.400 1.712 -4.090) 4.452 14.946 ( 1.697 -0.130 3.511) 3.902 20.939 ( -3.300 0.329 6.999) 7.745 21.121 ( 1.931 0.871 1.570) 2.637 21.400 ( -4.163 1.490 -3.712) 5.773 21.674 ( 9.669 7.511 -10.777) 16.311 22.008 ( 0.002 -0.228 -0.024) 0.230 22.016 ( 0.526 -0.019 -0.315) 0.614 23.499 ( -3.683 1.126 4.267) 5.748 23.630 ( 1.123 0.682 -1.340) 1.877 24.068 ( -4.728 -1.641 2.100) 5.427 24.293 ( 6.931 -3.102 1.008) 7.661 24.385 ( -3.814 1.630 -2.829) 5.021 24.502 ( 2.074 0.275 0.925) 2.288 24.795 ( -5.015 2.367 -0.943) 5.625 24.883 ( 0.626 -0.761 2.019) 2.247 24.934 ( 1.928 -1.138 -2.184) 3.128 24.973 ( 2.528 2.177 1.278) 3.573 25.365 ( -3.947 -11.160 13.370) 17.857 25.495 ( -0.489 -7.487 -11.422) 13.666 ======================= Grid point 204 (101/115) ======================= q-point: ( 0.44 0.44 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 7.385 -0.000 3.352) 8.110 1.873 ( 7.297 -0.000 11.854) 13.919 2.097 ( -2.211 0.000 -9.504) 9.758 2.116 ( 14.355 -0.000 -1.795) 14.467 2.134 ( 20.314 -0.000 15.539) 25.576 2.280 ( 4.428 -0.000 -5.846) 7.334 2.317 ( -14.840 0.000 6.305) 16.124 2.712 ( 9.366 -0.000 10.244) 13.881 2.898 ( -10.513 0.000 7.359) 12.833 2.925 ( 3.115 -0.000 -8.464) 9.019 3.213 ( -1.509 0.000 -11.810) 11.906 3.238 ( -6.830 0.000 -11.357) 13.252 3.379 ( -20.634 0.000 -3.195) 20.880 3.503 ( -5.830 0.000 -12.496) 13.789 3.606 ( -8.560 0.000 12.967) 15.538 3.950 ( 6.353 -0.000 -7.670) 9.960 4.170 ( -5.180 0.000 8.067) 9.588 4.272 ( 7.234 -0.000 -5.516) 9.097 4.379 ( -0.206 0.000 1.516) 1.530 4.430 ( -12.721 0.000 8.176) 15.122 4.486 ( 10.856 -0.000 -6.906) 12.867 4.575 ( -8.108 0.000 -1.061) 8.177 4.647 ( 4.464 -0.000 10.895) 11.774 4.882 ( 1.091 -0.000 0.325) 1.138 4.938 ( 3.247 -0.000 6.144) 6.949 5.211 ( 6.708 -0.000 -9.448) 11.587 5.263 ( 4.810 -0.000 5.236) 7.109 5.276 ( 8.315 -0.000 5.475) 9.956 5.410 ( 4.459 -0.000 -1.183) 4.613 5.519 ( -3.215 0.000 -4.380) 5.434 5.647 ( 0.889 -0.000 -5.125) 5.201 5.729 ( -5.300 0.000 -3.532) 6.370 6.034 ( 6.670 -0.000 -2.637) 7.172 6.077 ( -12.135 0.000 3.921) 12.753 6.457 ( 3.094 -0.000 8.565) 9.106 6.710 ( 3.946 -0.000 -1.460) 4.207 6.726 ( -15.271 0.000 8.151) 17.310 6.828 ( -6.552 0.000 -4.021) 7.687 7.057 ( 5.744 -0.000 2.824) 6.401 7.202 ( 5.464 -0.000 2.422) 5.977 7.270 ( -2.735 0.000 -7.344) 7.836 7.426 ( 0.227 -0.000 -5.733) 5.737 8.026 ( -0.360 0.000 -3.735) 3.752 8.037 ( -1.372 0.000 2.563) 2.907 8.183 ( 4.439 -0.000 -0.014) 4.440 8.208 ( -5.088 0.000 -1.798) 5.396 8.385 ( 1.115 -0.000 4.658) 4.790 8.528 ( 0.794 -0.000 -5.894) 5.947 8.820 ( -2.144 0.000 3.858) 4.414 8.834 ( 1.885 -0.000 2.199) 2.896 9.011 ( 0.435 -0.000 0.521) 0.679 9.123 ( -1.689 0.000 -6.361) 6.581 9.151 ( 3.900 -0.000 -2.492) 4.628 9.255 ( -4.210 0.000 -2.346) 4.820 9.433 ( 1.848 -0.000 4.357) 4.733 9.538 ( -1.479 0.000 -1.169) 1.885 9.739 ( -1.770 0.000 12.298) 12.425 10.008 ( 1.885 -0.000 -9.188) 9.380 10.545 ( -7.463 0.000 14.346) 16.171 10.679 ( 8.980 -0.000 -0.073) 8.980 10.896 ( 8.939 -0.000 -12.824) 15.632 11.090 ( -7.455 0.000 -3.429) 8.206 11.497 ( -3.831 0.000 10.157) 10.855 11.737 ( 2.824 -0.000 -10.253) 10.635 12.897 ( -1.490 0.000 11.638) 11.733 13.124 ( 3.005 -0.000 -7.565) 8.140 13.669 ( 0.681 -0.000 1.773) 1.900 13.711 ( 0.810 -0.000 -1.243) 1.483 14.827 ( 0.081 -0.000 0.039) 0.090 14.835 ( 0.188 -0.000 0.376) 0.420 14.933 ( 4.361 -0.000 -0.322) 4.373 15.010 ( -2.498 0.000 1.374) 2.851 20.939 ( -2.647 0.000 3.788) 4.621 21.080 ( 2.395 -0.000 -9.642) 9.935 21.646 ( -1.705 0.000 25.802) 25.858 21.961 ( 8.782 -0.000 -3.441) 9.432 22.005 ( 0.117 -0.000 -0.000) 0.117 22.035 ( 3.695 -0.000 -2.090) 4.245 23.338 ( -3.224 0.000 7.213) 7.901 23.515 ( 1.322 -0.000 -6.949) 7.074 24.067 ( -1.545 0.000 -2.039) 2.558 24.101 ( -2.219 0.000 -6.714) 7.071 24.308 ( 1.306 -0.000 7.143) 7.261 24.724 ( -4.288 0.000 -9.326) 10.264 24.770 ( -0.190 0.000 -6.054) 6.057 24.804 ( -1.019 0.000 -1.250) 1.613 24.895 ( -1.384 0.000 -0.588) 1.504 24.944 ( -0.238 0.000 -1.028) 1.055 25.320 ( 11.711 -0.000 -1.550) 11.813 25.468 ( -14.429 0.000 7.495) 16.260 ======================= Grid point 205 (102/115) ======================= q-point: (-0.44 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 6.224 -0.129 7.602) 9.825 1.902 ( -8.002 -0.785 -7.104) 10.729 2.077 ( 4.378 -1.904 6.293) 7.899 2.189 ( -8.557 -1.086 4.597) 9.774 2.265 ( 0.105 -6.447 -6.592) 9.221 2.330 ( 11.185 0.563 -4.205) 11.962 2.469 ( 21.627 -0.637 13.765) 25.644 2.796 ( -1.948 2.801 5.871) 6.791 2.801 ( -8.969 5.038 -5.547) 11.687 2.933 ( -3.669 -4.768 6.495) 8.853 2.979 ( -5.485 1.997 -8.493) 10.306 3.246 ( -1.492 -6.643 -10.605) 12.602 3.299 ( -5.517 -4.698 2.164) 7.562 3.482 ( -1.733 -5.479 -10.931) 12.349 3.576 ( -3.901 3.416 17.281) 18.042 3.911 ( 0.362 5.621 -9.640) 11.165 4.053 ( -2.841 10.153 5.103) 11.713 4.186 ( -3.384 10.855 -0.670) 11.390 4.363 ( 3.421 1.130 2.556) 4.417 4.429 ( 1.598 -3.329 -2.319) 4.360 4.484 ( -9.950 -0.938 2.428) 10.285 4.594 ( 15.538 2.993 -7.525) 17.522 4.748 ( 2.477 -1.568 9.956) 10.378 4.907 ( -2.025 -2.846 -3.653) 5.054 4.995 ( 2.860 -1.451 4.687) 5.679 5.195 ( -0.569 1.105 -11.241) 11.310 5.282 ( 3.025 2.763 7.173) 8.260 5.395 ( 3.194 -2.913 -1.322) 4.520 5.469 ( 4.591 -2.861 -0.414) 5.425 5.481 ( -2.642 0.361 -5.175) 5.822 5.637 ( -2.393 -0.277 1.021) 2.617 5.682 ( -0.700 -1.639 -3.597) 4.014 5.934 ( -8.581 4.434 8.794) 13.062 6.091 ( 5.958 -0.254 -4.547) 7.499 6.559 ( -8.315 2.523 12.582) 15.291 6.607 ( 1.997 -2.461 7.655) 8.285 6.738 ( -4.301 -2.726 -3.768) 6.335 6.797 ( 4.730 -0.779 -7.511) 8.910 7.035 ( -0.453 7.287 6.649) 9.875 7.208 ( 6.157 5.105 -5.134) 9.504 7.258 ( -0.327 -0.121 -0.339) 0.487 7.433 ( 3.175 -3.327 -10.571) 11.528 8.012 ( -1.088 -0.605 2.272) 2.590 8.058 ( -0.496 -2.520 -1.891) 3.190 8.164 ( -3.599 0.387 2.972) 4.683 8.236 ( 1.358 -2.880 -2.557) 4.084 8.439 ( 0.308 -3.269 3.883) 5.085 8.520 ( 1.171 -0.928 -5.057) 5.273 8.811 ( -2.238 0.281 3.789) 4.410 8.827 ( -1.505 2.451 3.080) 4.214 9.003 ( -1.294 0.777 1.477) 2.112 9.066 ( 0.138 1.120 -4.599) 4.735 9.208 ( 0.835 -2.507 0.014) 2.643 9.248 ( 0.357 -3.154 -4.795) 5.750 9.467 ( 1.467 -0.140 4.085) 4.343 9.532 ( -0.830 -1.304 -2.596) 3.022 9.763 ( -2.084 -0.125 12.100) 12.279 9.974 ( 0.213 1.737 -8.073) 8.260 10.521 ( -7.610 -0.563 12.702) 14.818 10.789 ( 11.001 -1.584 -6.667) 12.961 10.941 ( 7.958 -0.298 -4.773) 9.284 11.029 ( -6.853 -3.053 -6.890) 10.186 11.460 ( -1.947 5.232 10.780) 12.140 11.677 ( 2.783 5.812 -11.191) 12.914 12.932 ( -3.402 -1.705 13.197) 13.735 13.141 ( 1.099 -2.955 -8.240) 8.823 13.681 ( 0.121 -0.297 1.773) 1.802 13.713 ( 0.026 -0.341 -1.414) 1.455 14.826 ( -0.553 0.203 0.310) 0.665 14.829 ( -0.226 0.403 0.235) 0.518 14.975 ( 2.306 0.344 0.235) 2.343 14.982 ( -1.035 0.262 -0.155) 1.079 20.934 ( -2.190 -0.140 5.258) 5.698 21.085 ( 2.676 -1.908 -10.193) 10.710 21.667 ( -5.045 4.088 22.298) 23.224 21.995 ( 2.813 0.308 -1.979) 3.454 22.006 ( 0.279 0.243 0.033) 0.372 22.052 ( 9.517 3.945 -10.148) 14.461 23.362 ( -2.366 -2.652 9.390) 10.039 23.528 ( 1.576 -2.827 -6.649) 7.395 24.046 ( -2.186 -0.201 -1.295) 2.549 24.075 ( -1.644 -1.781 -4.885) 5.453 24.365 ( 3.269 -0.736 9.723) 10.284 24.615 ( -7.053 -0.195 -14.976) 16.555 24.769 ( 1.697 0.349 0.396) 1.777 24.783 ( -1.844 0.322 -1.080) 2.161 24.911 ( 1.806 -0.854 1.287) 2.377 24.934 ( -1.581 -0.220 -0.953) 1.860 25.346 ( -12.477 2.031 6.059) 14.019 25.420 ( 12.926 1.618 -1.778) 13.148 ======================= Grid point 206 (103/115) ======================= q-point: (-0.33 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -14.046 -3.179 -9.447) 17.224 1.844 ( 7.110 -4.982 10.621) 13.718 2.066 ( -8.441 0.618 7.502) 11.310 2.205 ( -7.020 -4.660 2.369) 8.752 2.313 ( -2.423 0.129 -7.959) 8.321 2.460 ( 12.887 -2.948 -4.470) 13.955 2.552 ( -4.107 3.536 -9.269) 10.737 2.637 ( 14.178 0.138 0.226) 14.181 2.739 ( -5.449 2.328 9.420) 11.129 2.896 ( -1.090 5.498 -6.993) 8.962 3.057 ( -4.085 -4.567 14.581) 15.816 3.291 ( -12.672 -10.151 -11.029) 19.628 3.396 ( 0.920 0.623 12.550) 12.599 3.532 ( 5.360 -1.396 -2.685) 6.156 3.614 ( 9.131 0.430 5.945) 10.904 3.770 ( 4.147 4.340 -10.505) 12.099 3.882 ( -3.639 7.552 2.794) 8.836 4.005 ( 1.338 7.835 2.473) 8.325 4.313 ( -4.743 4.464 -1.570) 6.699 4.461 ( 2.963 -1.068 1.271) 3.396 4.503 ( 0.100 -4.118 -4.175) 5.865 4.629 ( 13.577 7.312 -4.346) 16.022 4.810 ( -2.249 0.514 8.040) 8.365 4.904 ( -1.717 -3.752 0.360) 4.142 5.034 ( -3.630 -0.998 -3.049) 4.845 5.140 ( 0.957 -0.128 -6.089) 6.165 5.289 ( 0.496 1.375 6.334) 6.501 5.368 ( -4.306 3.126 -7.832) 9.469 5.436 ( -1.286 -1.607 2.832) 3.501 5.523 ( -1.228 -2.711 -2.947) 4.189 5.671 ( 0.318 -0.502 0.365) 0.698 5.721 ( 3.478 -2.690 -5.048) 6.694 5.916 ( -3.223 -4.380 13.800) 14.833 6.091 ( 0.159 2.399 -5.529) 6.029 6.374 ( -7.246 11.618 10.088) 17.007 6.693 ( 3.439 6.464 -13.699) 15.533 6.777 ( 5.397 -4.317 9.316) 11.600 6.840 ( 5.129 -4.410 -8.597) 10.939 6.985 ( -2.817 -0.933 8.971) 9.449 7.109 ( 2.094 8.255 -4.422) 9.597 7.268 ( -0.268 -0.654 9.106) 9.134 7.513 ( 6.031 -5.315 -11.737) 14.226 8.021 ( -3.615 -1.838 2.244) 4.635 8.096 ( 0.688 -2.198 -0.547) 2.367 8.149 ( -2.078 0.282 6.322) 6.660 8.252 ( -0.912 -0.653 -6.736) 6.828 8.504 ( -0.318 -2.966 1.068) 3.168 8.569 ( 4.448 -3.446 -1.892) 5.936 8.750 ( -5.672 3.620 5.396) 8.625 8.800 ( -2.964 -0.585 2.736) 4.076 8.993 ( -0.049 -0.081 0.654) 0.660 9.064 ( 3.310 0.027 -4.798) 5.829 9.251 ( -0.602 -1.892 1.438) 2.451 9.290 ( 0.717 -3.233 -3.556) 4.859 9.479 ( -0.237 1.247 3.251) 3.490 9.549 ( 1.010 -1.814 -3.578) 4.137 9.792 ( -2.151 -0.745 9.684) 9.948 9.902 ( -1.870 2.671 -4.851) 5.845 10.515 ( -7.870 -2.274 11.143) 13.830 10.843 ( 5.000 0.190 -14.435) 15.277 11.012 ( 4.812 -1.949 -2.051) 5.582 11.039 ( 2.691 -2.696 -1.857) 4.238 11.399 ( 1.130 4.772 9.104) 10.341 11.540 ( 2.333 8.380 -11.680) 14.563 12.976 ( -5.233 -2.321 14.737) 15.809 13.173 ( 0.203 -3.776 -8.839) 9.614 13.691 ( -0.614 -0.304 1.592) 1.733 13.712 ( -0.504 -0.397 -1.502) 1.634 14.807 ( -1.371 0.873 0.526) 1.708 14.829 ( 0.246 -0.097 -0.122) 0.291 14.940 ( -3.090 0.332 -0.041) 3.108 15.006 ( 3.899 1.353 -0.504) 4.158 20.939 ( -2.394 -0.296 7.298) 7.687 21.110 ( 3.024 -2.077 -10.586) 11.203 21.588 ( -8.242 5.896 16.728) 19.558 21.998 ( 2.215 2.502 -3.680) 4.971 22.006 ( 0.709 0.086 -0.398) 0.818 22.014 ( 9.757 4.562 -14.591) 18.136 23.437 ( -1.522 -3.762 10.776) 11.515 23.573 ( 1.617 -3.288 -6.452) 7.420 24.027 ( -3.713 -1.048 0.734) 3.927 24.097 ( 1.249 -2.646 -1.724) 3.396 24.456 ( 4.173 -1.070 11.516) 12.296 24.509 ( -5.368 0.450 -10.494) 11.796 24.759 ( -2.263 -0.652 -1.418) 2.749 24.793 ( 2.169 -0.905 0.174) 2.356 24.904 ( -3.387 0.234 0.269) 3.406 24.961 ( 2.108 -1.903 -0.097) 2.842 25.225 ( -9.897 1.877 4.954) 11.226 25.489 ( 12.501 3.783 -2.899) 13.378 ======================= Grid point 207 (104/115) ======================= q-point: (-0.22 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.702 ( -9.458 -6.093 -7.610) 13.583 1.979 ( -11.064 -0.257 -8.876) 14.187 2.027 ( -3.194 -0.003 10.569) 11.041 2.136 ( -3.674 0.906 0.940) 3.899 2.268 ( -4.356 -2.881 3.390) 6.226 2.445 ( -2.199 0.621 -4.541) 5.083 2.568 ( 7.717 7.020 -4.731) 11.455 2.704 ( 3.205 4.407 17.055) 17.905 2.808 ( 8.644 -0.605 -4.251) 9.651 2.842 ( 11.766 -7.023 -8.717) 16.240 3.089 ( -5.054 -0.092 9.450) 10.717 3.297 ( -5.486 1.238 0.452) 5.642 3.314 ( -9.702 -3.535 -1.280) 10.405 3.524 ( 6.452 8.194 -5.226) 11.665 3.593 ( -1.142 2.347 -5.334) 5.938 3.771 ( -0.598 3.916 -3.891) 5.553 3.917 ( 6.512 -5.776 7.459) 11.463 4.015 ( 7.091 -3.197 0.697) 7.810 4.223 ( -1.280 1.354 -3.184) 3.689 4.486 ( -1.248 3.763 3.976) 5.615 4.536 ( 3.673 2.054 6.175) 7.473 4.596 ( 4.319 1.733 -6.429) 7.937 4.764 ( -3.494 0.800 1.873) 4.045 4.913 ( -4.702 3.177 -12.617) 13.835 5.036 ( -3.877 -7.914 6.569) 10.992 5.163 ( 4.282 0.936 0.636) 4.429 5.297 ( 0.397 -0.997 2.687) 2.893 5.314 ( -0.045 -0.810 -1.368) 1.591 5.473 ( 0.388 -1.695 5.571) 5.836 5.536 ( -2.614 -2.326 -2.672) 4.403 5.669 ( -3.560 -1.290 3.782) 5.352 5.779 ( 4.181 -4.030 -6.617) 8.804 5.947 ( -5.369 6.695 -7.270) 11.247 6.010 ( -2.269 0.738 7.777) 8.135 6.193 ( 0.720 8.406 9.320) 12.572 6.561 ( 5.491 6.539 -17.979) 19.904 6.803 ( -3.413 3.809 4.314) 6.692 6.919 ( 0.130 -0.692 -8.300) 8.329 7.022 ( 5.188 1.086 2.196) 5.737 7.100 ( 6.659 -4.966 6.099) 10.306 7.339 ( -2.905 -4.506 11.584) 12.765 7.630 ( 5.186 -6.395 -4.914) 9.588 8.018 ( -2.391 -0.496 1.938) 3.118 8.126 ( -1.038 -1.353 0.293) 1.731 8.152 ( -1.670 0.229 6.140) 6.367 8.217 ( -1.234 -0.376 -6.884) 7.004 8.500 ( -3.085 2.268 -0.084) 3.830 8.646 ( 1.446 -1.402 -2.762) 3.418 8.718 ( 0.929 0.063 8.279) 8.331 8.799 ( -1.746 -3.032 -1.292) 3.730 8.995 ( 0.491 0.609 1.192) 1.426 9.068 ( 3.300 1.394 -3.908) 5.302 9.275 ( -1.019 -1.601 1.281) 2.290 9.335 ( 0.950 -2.142 -2.947) 3.765 9.454 ( -0.092 1.858 0.851) 2.045 9.553 ( -0.756 0.527 -3.875) 3.983 9.767 ( -6.365 1.105 0.789) 6.508 9.894 ( 3.834 -1.459 4.528) 6.110 10.514 ( -9.508 -2.588 10.171) 14.162 10.804 ( -0.401 -0.615 -15.990) 16.007 11.027 ( 1.498 5.777 8.559) 10.435 11.143 ( 8.757 -5.349 -8.003) 13.014 11.391 ( 1.561 6.690 -10.878) 12.866 11.426 ( 5.469 -0.497 5.387) 7.693 13.004 ( -6.487 -1.205 14.863) 16.262 13.202 ( 0.557 -3.062 -8.489) 9.042 13.688 ( -1.165 0.155 0.699) 1.368 13.709 ( -0.406 -0.288 -0.837) 0.973 14.778 ( -1.850 1.057 0.674) 2.235 14.830 ( -0.212 -0.228 -1.657) 1.686 14.921 ( -1.578 -0.595 1.422) 2.206 15.002 ( 3.193 2.711 -1.109) 4.333 20.946 ( -2.547 0.027 8.377) 8.756 21.128 ( 2.488 -0.923 -7.233) 7.705 21.468 ( -8.676 3.932 8.258) 12.607 21.923 ( 9.764 7.237 -17.073) 20.957 22.004 ( 0.213 0.095 -0.253) 0.344 22.017 ( 2.312 0.248 -2.612) 3.497 23.503 ( -1.992 -1.622 7.075) 7.527 23.610 ( 1.312 -2.117 -4.606) 5.236 24.019 ( -3.600 -1.158 4.836) 6.138 24.172 ( 3.747 -3.976 0.563) 5.492 24.422 ( -4.266 0.648 -6.795) 8.050 24.532 ( 2.676 1.202 8.549) 9.038 24.779 ( -0.470 -4.166 1.094) 4.332 24.838 ( 2.239 -2.022 -0.740) 3.106 24.856 ( -5.445 0.827 0.102) 5.509 25.002 ( 1.221 -0.757 -0.329) 1.474 25.160 ( -6.187 -1.887 5.026) 8.192 25.509 ( 10.321 5.275 -4.374) 12.389 ======================= Grid point 208 (105/115) ======================= q-point: (-0.11 -0.56 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -18.328 9.648 -26.423) 33.573 1.770 ( -1.915 -3.536 -0.964) 4.135 1.997 ( -4.310 -2.309 3.080) 5.779 2.213 ( 12.288 4.464 8.812) 15.766 2.300 ( -1.168 -2.717 4.829) 5.663 2.419 ( -3.971 -1.189 2.037) 4.619 2.476 ( 9.913 13.646 3.215) 17.170 2.764 ( 1.683 -1.892 7.306) 7.732 2.883 ( 6.913 -0.247 2.873) 7.491 3.014 ( -1.668 -3.074 -3.488) 4.939 3.119 ( 12.026 -3.088 -3.193) 12.820 3.201 ( -4.528 0.517 0.495) 4.585 3.292 ( -8.304 -3.903 -13.403) 16.243 3.451 ( -7.827 2.442 -1.577) 8.349 3.565 ( 5.797 0.693 2.049) 6.188 3.671 ( -4.819 -1.065 -3.556) 6.083 4.027 ( 4.376 -0.659 4.361) 6.213 4.157 ( 0.474 -0.323 -5.945) 5.973 4.259 ( 6.311 -10.220 -0.265) 12.015 4.356 ( -7.789 4.671 3.515) 9.739 4.528 ( -3.010 2.978 5.268) 6.759 4.612 ( 4.593 3.120 3.668) 6.654 4.738 ( 1.096 5.318 -9.182) 10.668 4.812 ( -2.458 -5.886 -3.576) 7.312 5.113 ( -4.261 -5.297 -0.546) 6.820 5.148 ( 2.065 7.804 3.514) 8.804 5.256 ( -0.970 2.665 1.420) 3.172 5.408 ( -4.677 -5.113 6.896) 9.776 5.471 ( -2.559 1.862 -2.030) 3.760 5.592 ( 8.194 -0.516 3.083) 8.770 5.719 ( -1.338 -9.363 0.098) 9.459 5.768 ( -4.709 2.278 0.500) 5.255 5.918 ( -0.599 3.933 5.964) 7.169 5.931 ( 5.359 -3.587 -7.039) 9.546 6.148 ( 4.512 6.643 5.605) 9.793 6.457 ( 0.786 3.607 -13.555) 14.049 6.733 ( -2.231 0.806 -0.180) 2.379 6.829 ( -2.132 4.525 -5.127) 7.163 7.113 ( 3.415 -3.127 1.908) 5.008 7.256 ( 4.710 -4.789 3.492) 7.571 7.412 ( -3.265 -4.030 5.792) 7.774 7.752 ( -0.395 -4.337 4.062) 5.955 8.005 ( -0.641 1.493 2.082) 2.640 8.102 ( 2.919 4.223 -2.589) 5.749 8.179 ( -4.423 -4.717 6.313) 9.037 8.205 ( 0.107 -0.720 -2.892) 2.982 8.419 ( -3.610 2.375 -0.159) 4.324 8.647 ( 0.041 1.422 -2.410) 2.798 8.691 ( -2.458 3.331 4.468) 6.091 8.878 ( 3.069 -2.494 -0.500) 3.986 8.999 ( 1.682 -0.674 -3.179) 3.659 9.088 ( 6.966 0.584 1.264) 7.104 9.272 ( -3.491 -0.187 0.978) 3.630 9.346 ( 0.144 0.026 -1.738) 1.744 9.449 ( 1.112 -1.216 -2.696) 3.160 9.505 ( -1.384 1.590 -3.757) 4.308 9.690 ( -6.184 0.981 0.166) 6.263 10.006 ( 6.571 -3.356 4.522) 8.654 10.485 ( -10.571 -0.894 9.625) 14.324 10.749 ( 0.932 1.040 -16.351) 16.411 10.980 ( 0.463 3.262 8.543) 9.156 11.236 ( 6.247 3.584 -5.739) 9.208 11.316 ( 0.998 -3.557 -10.441) 11.075 11.518 ( 5.044 -1.969 4.280) 6.902 12.996 ( -6.569 0.843 14.038) 15.522 13.221 ( 1.821 -1.463 -7.622) 7.971 13.673 ( -0.895 0.562 0.352) 1.114 13.706 ( -0.005 0.046 -0.548) 0.550 14.750 ( -1.501 0.587 0.780) 1.790 14.819 ( -0.299 0.226 -2.335) 2.365 14.930 ( -0.798 -0.612 1.085) 1.479 14.982 ( 2.916 2.419 -0.270) 3.798 20.951 ( -1.212 0.482 8.043) 8.148 21.140 ( 0.906 -0.427 -1.314) 1.652 21.367 ( -6.388 1.652 0.350) 6.608 21.840 ( 9.275 6.886 -15.370) 19.227 22.005 ( 0.129 -0.078 -0.099) 0.180 22.023 ( 1.204 0.212 -1.420) 1.874 23.496 ( -2.953 0.890 1.876) 3.610 23.634 ( 0.556 -0.715 -1.204) 1.507 24.031 ( -2.403 -0.780 8.281) 8.657 24.290 ( 4.257 -4.688 -0.005) 6.332 24.364 ( -1.298 0.530 -2.473) 2.843 24.536 ( 0.816 1.825 2.321) 3.064 24.776 ( -5.932 1.723 -1.864) 6.452 24.868 ( 0.706 -3.820 3.570) 5.276 24.889 ( 1.436 -2.963 -2.353) 4.047 25.007 ( -0.081 0.434 0.892) 0.995 25.209 ( -4.345 -7.061 6.389) 10.467 25.486 ( 6.583 4.893 -5.781) 10.035 ======================= Grid point 214 (106/115) ======================= q-point: (-0.44 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.774 ( -13.438 0.000 -10.125) 16.826 1.775 ( 4.114 -0.000 10.102) 10.908 2.071 ( -11.341 0.000 2.360) 11.584 2.157 ( 9.832 -0.000 5.477) 11.254 2.171 ( -1.911 0.000 -10.206) 10.384 2.468 ( 16.648 -0.000 -9.440) 19.138 2.627 ( -27.003 0.000 -23.634) 35.885 2.694 ( -13.573 0.000 5.415) 14.613 2.795 ( 21.054 -0.000 26.581) 33.909 2.868 ( -8.496 0.000 15.549) 17.719 3.017 ( 9.831 -0.000 -3.242) 10.352 3.023 ( -9.201 0.000 -10.368) 13.862 3.318 ( 7.262 -0.000 4.838) 8.726 3.449 ( 9.336 -0.000 -7.488) 11.968 3.646 ( -1.117 0.000 18.278) 18.312 3.916 ( -3.306 0.000 -8.700) 9.307 4.116 ( -3.219 0.000 1.755) 3.666 4.219 ( -10.824 0.000 7.061) 12.924 4.393 ( -4.551 0.000 3.952) 6.027 4.393 ( 4.160 -0.000 0.046) 4.160 4.543 ( 9.718 -0.000 -1.923) 9.906 4.683 ( 11.623 -0.000 -6.548) 13.341 4.829 ( -3.865 0.000 -6.090) 7.213 4.836 ( 10.661 -0.000 0.836) 10.694 5.021 ( -0.966 0.000 7.061) 7.126 5.148 ( -2.815 0.000 -11.627) 11.963 5.331 ( -0.019 0.000 -1.137) 1.138 5.373 ( -1.923 0.000 0.996) 2.166 5.419 ( -4.369 0.000 -8.689) 9.725 5.475 ( 1.487 -0.000 0.792) 1.685 5.592 ( -5.046 0.000 -0.038) 5.046 5.680 ( 4.194 -0.000 1.662) 4.511 5.917 ( -9.186 0.000 6.873) 11.473 6.164 ( 10.041 -0.000 -3.437) 10.613 6.515 ( -10.702 0.000 6.708) 12.630 6.600 ( 3.531 -0.000 11.194) 11.737 6.679 ( -5.755 0.000 -3.425) 6.697 6.828 ( 6.785 -0.000 4.325) 8.046 7.197 ( 1.755 -0.000 -12.104) 12.231 7.230 ( 9.261 -0.000 5.324) 10.682 7.336 ( 9.703 -0.000 -5.605) 11.205 7.362 ( -1.352 0.000 -9.952) 10.044 7.988 ( -3.528 0.000 0.727) 3.602 8.050 ( 3.445 -0.000 2.244) 4.112 8.133 ( -5.798 0.000 4.246) 7.186 8.203 ( -0.744 0.000 -2.567) 2.673 8.433 ( 0.596 -0.000 4.247) 4.288 8.491 ( -0.357 0.000 -5.998) 6.009 8.804 ( -2.814 0.000 4.741) 5.513 8.843 ( -2.422 0.000 2.222) 3.287 9.006 ( -2.432 0.000 4.411) 5.037 9.026 ( -4.354 0.000 -1.517) 4.611 9.191 ( 0.741 -0.000 -7.045) 7.084 9.244 ( 5.937 -0.000 -0.305) 5.945 9.498 ( 2.481 -0.000 3.066) 3.944 9.499 ( -1.333 0.000 -2.436) 2.777 9.783 ( -2.779 0.000 12.503) 12.808 9.960 ( -0.461 0.000 -8.779) 8.791 10.480 ( -8.701 0.000 12.481) 15.214 10.871 ( 13.693 -0.000 -14.861) 20.208 10.914 ( -6.120 0.000 -7.531) 9.704 11.003 ( 8.473 -0.000 2.460) 8.822 11.523 ( -2.039 0.000 11.178) 11.362 11.717 ( 3.253 -0.000 -11.791) 12.231 12.924 ( -4.868 0.000 12.859) 13.749 13.087 ( -1.208 0.000 -7.673) 7.768 13.682 ( -0.607 0.000 1.613) 1.724 13.702 ( -0.642 0.000 -1.538) 1.667 14.824 ( -0.679 0.000 0.901) 1.128 14.825 ( -1.188 0.000 0.423) 1.261 14.946 ( -4.122 0.000 -1.028) 4.248 15.027 ( 5.335 -0.000 -0.295) 5.343 20.938 ( -0.849 0.000 5.050) 5.121 21.059 ( 2.481 -0.000 -8.527) 8.881 21.721 ( -6.822 0.000 18.267) 19.499 22.002 ( 0.397 -0.000 -0.296) 0.496 22.011 ( 0.355 -0.000 0.295) 0.462 22.139 ( 10.586 -0.000 -18.791) 21.568 23.353 ( -1.628 0.000 9.783) 9.917 23.492 ( 1.814 -0.000 -7.376) 7.596 24.017 ( -2.869 0.000 -0.549) 2.921 24.045 ( 0.019 -0.000 0.305) 0.306 24.433 ( 4.376 -0.000 12.531) 13.273 24.507 ( -4.919 0.000 -12.793) 13.706 24.768 ( -1.990 0.000 -0.801) 2.145 24.784 ( 0.807 -0.000 0.814) 1.146 24.915 ( -1.645 0.000 -1.453) 2.194 24.918 ( 0.633 -0.000 1.524) 1.650 25.265 ( -11.754 0.000 4.481) 12.580 25.561 ( 14.783 -0.000 -2.270) 14.956 ======================= Grid point 215 (107/115) ======================= q-point: (-0.33 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( -18.527 0.325 -7.661) 20.051 1.860 ( 1.502 -2.160 9.378) 9.740 2.014 ( -5.742 -1.894 2.996) 6.748 2.110 ( -3.561 -1.553 -12.145) 12.751 2.196 ( -15.348 1.336 -6.090) 16.566 2.427 ( 3.191 -7.154 -10.693) 13.255 2.558 ( -5.311 -0.664 4.430) 6.947 2.627 ( 6.942 -2.846 -9.544) 12.140 2.785 ( -10.302 2.271 2.984) 10.963 2.946 ( -3.099 -0.831 2.106) 3.838 3.033 ( 5.869 1.013 22.808) 23.573 3.104 ( 4.525 -1.715 -2.334) 5.373 3.448 ( 8.414 -2.219 4.212) 9.668 3.583 ( 8.958 -1.839 4.826) 10.340 3.732 ( 8.398 -1.104 12.364) 14.987 3.805 ( -2.734 3.525 -4.854) 6.593 4.023 ( -0.778 8.760 -0.760) 8.828 4.097 ( -5.999 5.182 3.072) 8.502 4.366 ( -0.745 1.790 -0.209) 1.950 4.460 ( 4.129 -1.400 -0.396) 4.378 4.547 ( 9.721 5.350 -1.064) 11.147 4.781 ( -2.865 -4.033 -1.546) 5.183 4.795 ( -1.183 -1.733 -6.168) 6.515 4.857 ( 6.555 6.957 -2.813) 9.964 5.002 ( -2.401 2.476 -1.820) 3.900 5.129 ( 2.653 -2.965 -1.863) 4.393 5.282 ( -6.103 1.473 -4.421) 7.678 5.334 ( -5.435 -0.485 -5.535) 7.772 5.385 ( 0.567 -2.291 -5.729) 6.196 5.470 ( -1.945 -0.068 2.417) 3.103 5.639 ( 0.450 -5.747 0.729) 5.811 5.718 ( 1.582 0.160 0.258) 1.611 5.848 ( -8.625 -0.834 9.951) 13.195 6.179 ( 7.768 6.515 -3.497) 10.725 6.488 ( -3.998 4.410 10.337) 11.928 6.621 ( -1.937 -5.501 -5.191) 7.807 6.756 ( 2.496 -8.589 9.323) 12.920 6.894 ( 7.193 2.993 -2.079) 8.063 7.067 ( 0.133 8.281 -3.767) 9.098 7.241 ( 4.170 7.116 -8.838) 12.088 7.335 ( 4.765 1.467 7.517) 9.020 7.470 ( 11.128 -4.307 -11.906) 16.857 7.964 ( -4.472 -0.951 2.219) 5.082 8.075 ( -3.409 -0.006 3.912) 5.189 8.129 ( -0.360 -2.622 2.723) 3.797 8.202 ( -1.717 -1.397 -2.628) 3.436 8.472 ( 0.899 -2.261 2.715) 3.646 8.510 ( 1.190 -5.263 -4.902) 7.290 8.770 ( -4.548 3.047 2.664) 6.088 8.797 ( -3.399 2.076 5.507) 6.796 8.978 ( -1.743 -0.328 -0.861) 1.972 9.040 ( -2.444 -3.167 3.186) 5.114 9.206 ( 0.850 -3.351 -5.006) 6.083 9.281 ( 2.777 0.873 1.233) 3.162 9.483 ( -1.364 -0.522 -2.210) 2.649 9.541 ( 3.801 -0.225 0.909) 3.914 9.801 ( -2.712 0.036 10.671) 11.010 9.901 ( -1.814 1.771 -7.136) 7.572 10.452 ( -8.621 -0.915 12.806) 15.464 10.824 ( -1.821 1.429 -12.353) 12.567 10.955 ( 8.714 -4.073 -16.282) 18.911 11.123 ( 10.709 -0.574 5.961) 12.270 11.509 ( -0.833 4.060 9.577) 10.436 11.651 ( 3.133 6.314 -11.007) 13.070 12.935 ( -6.300 -1.985 13.390) 14.930 13.070 ( -2.722 -3.560 -7.517) 8.751 13.682 ( -1.220 -0.276 1.231) 1.755 13.692 ( -1.010 -0.422 -1.430) 1.801 14.808 ( -1.546 0.557 0.831) 1.841 14.823 ( -1.077 -0.210 0.577) 1.240 14.903 ( -4.138 -0.273 -0.796) 4.223 15.065 ( 4.821 0.938 -1.657) 5.184 20.950 ( -0.423 0.260 5.866) 5.887 21.071 ( 2.798 -1.740 -8.068) 8.715 21.655 ( -9.253 5.667 13.297) 17.162 22.004 ( 0.165 0.020 0.039) 0.171 22.013 ( 0.318 0.305 0.105) 0.453 22.120 ( 9.135 2.962 -26.814) 28.482 23.404 ( -0.832 -3.026 9.618) 10.118 23.511 ( 2.146 -2.910 -7.266) 8.116 24.001 ( -2.120 -0.053 5.116) 5.538 24.069 ( 0.877 -1.976 1.624) 2.704 24.430 ( -3.107 0.024 -9.692) 10.178 24.537 ( 5.355 -0.718 15.342) 16.265 24.737 ( -2.315 0.840 -0.618) 2.539 24.798 ( 0.699 -0.586 0.949) 1.316 24.886 ( -2.048 0.905 -0.696) 2.345 24.941 ( 0.053 -1.871 0.814) 2.041 25.168 ( -9.805 0.826 3.481) 10.438 25.667 ( 14.828 3.106 -3.215) 15.487 ======================= Grid point 216 (108/115) ======================= q-point: (-0.22 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -11.600 -8.386 -0.928) 14.344 1.842 ( -9.893 1.054 -6.761) 12.029 1.944 ( -18.695 -0.509 -1.193) 18.739 2.094 ( -1.235 -3.706 -4.233) 5.760 2.160 ( -0.572 -9.166 6.769) 11.409 2.383 ( -11.598 1.875 -3.510) 12.261 2.592 ( -5.414 0.478 -3.455) 6.440 2.756 ( 10.306 -11.195 -8.640) 17.498 2.789 ( 11.982 -5.564 -10.287) 16.744 2.957 ( 3.637 3.890 10.072) 11.393 3.098 ( -1.557 2.751 20.359) 20.602 3.136 ( 0.340 -0.821 -0.882) 1.252 3.490 ( 1.514 7.352 4.701) 8.857 3.631 ( -3.517 1.408 2.353) 4.459 3.668 ( 7.839 7.020 2.844) 10.901 3.854 ( -1.829 7.593 -2.365) 8.161 3.920 ( 5.319 0.840 2.131) 5.791 4.042 ( 4.030 -0.980 0.591) 4.189 4.334 ( 9.408 7.354 -4.502) 12.761 4.516 ( 4.290 -3.630 -0.152) 5.622 4.564 ( 2.066 1.711 2.918) 3.964 4.705 ( -2.540 7.125 0.937) 7.622 4.768 ( -1.796 4.779 -9.865) 11.108 4.835 ( -11.270 -9.285 7.315) 16.332 4.905 ( -1.813 4.217 -5.901) 7.476 5.178 ( -0.211 -2.858 -3.310) 4.378 5.273 ( 4.973 -3.688 0.880) 6.254 5.299 ( -4.323 -0.024 0.531) 4.355 5.410 ( -1.103 -2.942 -4.034) 5.113 5.475 ( -1.317 -1.671 1.418) 2.557 5.656 ( -2.898 0.270 1.701) 3.371 5.737 ( 2.433 -1.849 -4.922) 5.793 5.923 ( -2.380 -8.466 3.812) 9.585 6.088 ( 3.909 10.328 -1.683) 11.171 6.369 ( -0.087 8.881 9.370) 12.910 6.658 ( 4.185 4.229 -11.007) 12.512 6.857 ( 2.272 -0.391 -12.087) 12.305 6.911 ( 0.642 5.482 4.030) 6.834 7.005 ( -1.018 -7.896 8.637) 11.747 7.168 ( 4.905 4.714 1.428) 6.951 7.387 ( 7.410 2.324 7.606) 10.870 7.572 ( 6.014 -2.866 -7.262) 9.855 7.963 ( -3.501 -3.465 -0.527) 4.954 8.060 ( -5.429 -1.408 6.279) 8.419 8.167 ( -0.331 -1.989 -1.954) 2.808 8.189 ( 0.212 0.433 -1.284) 1.371 8.520 ( 1.744 0.153 0.189) 1.761 8.630 ( 2.900 -4.602 -5.354) 7.633 8.671 ( -5.784 -1.287 2.304) 6.357 8.774 ( -1.551 1.129 7.107) 7.362 8.974 ( -1.812 -1.608 -2.058) 3.179 9.088 ( 0.530 -2.603 3.295) 4.232 9.254 ( -0.980 -2.611 -0.805) 2.903 9.294 ( 1.023 -0.402 1.412) 1.789 9.468 ( -1.634 -0.377 -3.333) 3.731 9.559 ( 2.294 2.162 0.425) 3.181 9.750 ( -5.533 3.412 -0.014) 6.501 9.902 ( 2.548 -2.899 3.112) 4.958 10.429 ( -10.082 -1.159 13.242) 16.683 10.743 ( -0.322 0.788 -15.521) 15.544 11.058 ( 5.910 -5.347 -12.461) 14.792 11.215 ( 8.824 3.784 5.975) 11.309 11.455 ( 0.821 4.617 -7.875) 9.166 11.550 ( 5.489 5.871 3.386) 8.721 12.957 ( -7.235 -2.628 12.628) 14.790 13.096 ( -2.365 -5.472 -6.279) 8.658 13.675 ( -1.325 -0.242 -0.193) 1.360 13.690 ( -1.109 -0.808 -0.178) 1.384 14.780 ( -2.148 1.214 0.643) 2.550 14.811 ( -1.771 -0.385 -0.632) 1.919 14.886 ( -2.854 -1.533 0.891) 3.360 15.073 ( 3.889 2.108 -2.910) 5.295 20.964 ( -0.292 0.327 7.091) 7.104 21.100 ( 2.442 -1.860 -7.108) 7.742 21.490 ( -10.672 6.439 7.845) 14.727 21.998 ( 1.133 1.327 -4.725) 5.037 22.009 ( 0.303 0.315 -0.403) 0.594 22.055 ( 7.322 2.430 -23.506) 24.739 23.472 ( -1.132 -2.517 3.856) 4.742 23.561 ( 1.825 -3.380 -4.440) 5.871 24.017 ( -0.816 -0.160 10.487) 10.520 24.136 ( 1.704 -4.004 1.691) 4.668 24.377 ( -1.367 0.324 -6.048) 6.209 24.620 ( 1.585 2.377 10.101) 10.497 24.725 ( -0.550 -2.101 1.734) 2.778 24.815 ( -1.624 -0.652 1.793) 2.505 24.856 ( 1.130 1.240 2.001) 2.612 24.979 ( -0.194 -2.488 -0.221) 2.506 25.095 ( -7.017 -0.522 4.043) 8.115 25.707 ( 13.200 6.632 -4.389) 15.411 ======================= Grid point 217 (109/115) ======================= q-point: (-0.11 -0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( -11.470 7.005 -11.676) 17.804 1.636 ( -7.070 -6.018 0.756) 9.315 1.862 ( -10.295 -6.647 7.387) 14.308 2.159 ( -2.528 -7.793 -1.804) 8.389 2.241 ( -11.942 -11.309 -20.336) 26.155 2.377 ( 5.618 -3.966 5.224) 8.636 2.584 ( 0.493 -1.628 8.939) 9.099 2.905 ( 3.204 6.697 10.716) 13.036 2.924 ( 7.638 -3.302 -8.496) 11.892 3.003 ( 5.490 0.721 1.916) 5.859 3.102 ( 3.206 -0.862 -0.825) 3.420 3.146 ( -1.761 -3.701 -4.273) 5.921 3.338 ( 2.919 11.662 3.418) 12.499 3.534 ( -0.003 11.677 0.225) 11.679 3.647 ( 2.227 1.013 7.583) 7.968 3.687 ( -0.398 6.834 -7.490) 10.148 4.014 ( 0.429 -4.723 6.397) 7.963 4.145 ( 6.876 -5.061 -2.894) 9.015 4.252 ( 4.789 6.170 -2.934) 8.344 4.419 ( -7.552 11.384 0.722) 13.680 4.555 ( -2.795 2.776 -2.772) 4.817 4.658 ( -5.664 -0.523 -5.845) 8.156 4.701 ( 4.062 -2.926 8.527) 9.888 4.814 ( 1.406 3.122 -1.680) 3.814 4.931 ( -9.076 -9.456 5.267) 14.126 5.229 ( -7.722 0.132 2.295) 8.057 5.255 ( 2.589 -1.086 -4.461) 5.271 5.343 ( 1.761 -1.285 -1.094) 2.439 5.442 ( -3.802 -1.979 1.105) 4.427 5.565 ( 5.859 -8.605 2.150) 10.630 5.601 ( -6.702 0.804 2.294) 7.129 5.807 ( 4.917 -1.221 -3.718) 6.284 5.940 ( 9.100 2.855 -7.940) 12.410 6.049 ( 2.161 2.202 6.195) 6.921 6.297 ( 2.567 6.031 7.782) 10.174 6.526 ( 4.439 8.867 -14.116) 17.251 6.764 ( -4.809 6.133 -3.522) 8.552 6.838 ( 0.482 2.384 -5.250) 5.786 7.149 ( 3.772 -1.011 1.713) 4.265 7.193 ( -2.292 -4.954 9.627) 11.067 7.444 ( 7.346 2.691 5.935) 9.820 7.655 ( -1.365 -6.304 1.993) 6.751 7.985 ( -1.964 -2.037 -3.638) 4.608 8.061 ( -5.286 -3.461 4.157) 7.563 8.183 ( 2.822 1.651 -2.258) 3.973 8.213 ( 3.664 -2.698 0.578) 4.587 8.456 ( -1.164 5.615 -0.823) 5.793 8.634 ( -0.369 -1.285 -0.547) 1.445 8.697 ( -6.676 -0.167 1.704) 6.892 8.834 ( 4.310 -5.174 -1.794) 6.969 8.986 ( 0.020 -1.183 0.499) 1.284 9.162 ( 5.258 -1.433 3.308) 6.375 9.245 ( -3.455 0.727 -0.282) 3.542 9.314 ( -2.036 -1.666 1.401) 2.980 9.444 ( -0.618 -0.164 -4.965) 5.005 9.521 ( -0.194 3.662 0.338) 3.683 9.652 ( -5.123 1.444 0.463) 5.343 10.020 ( 5.966 -4.217 3.547) 8.121 10.394 ( -11.330 -1.652 12.084) 16.647 10.699 ( 2.803 -1.016 -16.432) 16.701 11.089 ( 0.044 3.071 2.772) 4.137 11.245 ( 5.255 -0.125 -8.638) 10.111 11.345 ( 2.874 5.092 -7.636) 9.618 11.583 ( 6.520 1.574 4.657) 8.165 12.972 ( -6.947 -1.935 12.398) 14.343 13.148 ( -0.752 -5.122 -5.684) 7.688 13.667 ( -0.959 -0.199 -0.236) 1.007 13.694 ( -0.823 -0.855 -0.141) 1.195 14.744 ( -2.107 0.539 0.480) 2.228 14.804 ( -1.155 -0.479 -0.630) 1.400 14.893 ( -2.661 -2.008 0.895) 3.451 15.055 ( 3.344 2.737 -2.933) 5.223 20.986 ( 0.885 0.402 7.664) 7.726 21.119 ( 0.453 -1.202 -4.839) 5.007 21.341 ( -8.604 2.789 4.229) 9.984 21.936 ( 5.522 3.720 -20.337) 21.399 22.007 ( 0.164 0.163 -0.018) 0.231 22.032 ( 1.843 0.226 -5.599) 5.899 23.482 ( -1.653 -0.152 -0.795) 1.840 23.610 ( 0.467 -2.135 -1.099) 2.446 24.059 ( 0.616 0.278 12.950) 12.968 24.223 ( 0.257 -4.594 -2.907) 5.443 24.369 ( 2.702 -0.733 0.910) 2.944 24.589 ( -0.771 2.971 2.358) 3.870 24.718 ( -5.341 -0.255 -3.873) 6.602 24.846 ( 0.955 -1.872 7.205) 7.505 24.880 ( 2.432 0.284 2.964) 3.844 25.000 ( -1.166 -0.792 0.192) 1.423 25.104 ( -3.643 -4.230 6.618) 8.658 25.668 ( 10.121 9.292 -5.787) 14.909 ======================= Grid point 224 (110/115) ======================= q-point: (-0.33 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -21.770 0.000 -4.238) 22.179 1.709 ( -28.406 0.000 -16.204) 32.703 1.953 ( -4.196 0.000 5.927) 7.262 1.981 ( -0.596 0.000 0.438) 0.740 2.229 ( 7.700 -0.000 -12.541) 14.716 2.337 ( 8.128 -0.000 -12.192) 14.653 2.469 ( -14.642 0.000 15.627) 21.415 2.689 ( 10.788 -0.000 -7.560) 13.174 2.742 ( -11.149 0.000 -7.758) 13.583 2.776 ( -16.889 0.000 26.111) 31.097 3.149 ( 6.383 -0.000 -4.053) 7.561 3.254 ( 10.559 -0.000 14.711) 18.108 3.533 ( 5.922 -0.000 6.072) 8.482 3.708 ( 9.949 -0.000 3.174) 10.443 3.796 ( 6.232 -0.000 9.953) 11.743 3.804 ( 2.630 -0.000 -0.819) 2.754 4.085 ( 0.462 -0.000 -3.612) 3.641 4.109 ( -5.387 0.000 6.766) 8.648 4.382 ( 0.979 -0.000 3.711) 3.838 4.479 ( 4.583 -0.000 0.536) 4.614 4.690 ( -1.302 0.000 -7.052) 7.171 4.714 ( -1.753 0.000 -6.654) 6.881 4.745 ( 8.420 -0.000 -1.830) 8.617 5.000 ( -3.648 0.000 1.351) 3.890 5.001 ( 5.221 -0.000 -3.523) 6.298 5.058 ( 0.321 -0.000 -10.568) 10.573 5.198 ( -8.718 0.000 -4.741) 9.924 5.247 ( -3.401 0.000 -11.726) 12.210 5.400 ( 10.224 -0.000 -5.273) 11.503 5.512 ( 0.960 -0.000 4.582) 4.682 5.527 ( -4.107 0.000 3.170) 5.188 5.734 ( -1.504 0.000 0.653) 1.639 5.783 ( -12.309 0.000 9.290) 15.422 6.379 ( 14.863 -0.000 -0.488) 14.871 6.476 ( 0.683 -0.000 1.534) 1.680 6.579 ( -2.214 0.000 2.987) 3.718 6.686 ( -3.572 0.000 10.807) 11.382 7.005 ( 7.594 -0.000 5.030) 9.108 7.091 ( -3.586 0.000 -15.304) 15.719 7.333 ( 6.962 -0.000 -8.487) 10.977 7.423 ( 7.553 -0.000 6.417) 9.911 7.525 ( 16.175 -0.000 -11.188) 19.667 7.913 ( -9.422 0.000 5.008) 10.670 8.040 ( -4.436 0.000 3.570) 5.694 8.101 ( 0.053 -0.000 -5.875) 5.875 8.203 ( 2.092 -0.000 8.169) 8.432 8.429 ( -2.272 0.000 -4.680) 5.202 8.474 ( 0.868 -0.000 4.465) 4.549 8.770 ( -3.564 0.000 1.642) 3.924 8.802 ( -4.962 0.000 5.831) 7.656 8.939 ( -4.191 0.000 -2.556) 4.909 9.002 ( -2.086 0.000 7.276) 7.569 9.168 ( 1.800 -0.000 -6.754) 6.990 9.301 ( -1.876 0.000 3.027) 3.561 9.466 ( 0.464 -0.000 -3.589) 3.619 9.592 ( 6.396 -0.000 0.388) 6.408 9.815 ( -2.740 0.000 11.343) 11.669 9.868 ( -2.179 0.000 -8.627) 8.898 10.416 ( -8.816 0.000 15.594) 17.914 10.795 ( 1.140 -0.000 -10.724) 10.784 10.914 ( 5.607 -0.000 -22.332) 23.025 11.249 ( 13.153 -0.000 2.667) 13.421 11.572 ( -1.050 0.000 10.987) 11.038 11.699 ( 3.850 -0.000 -10.391) 11.081 12.900 ( -7.388 0.000 12.745) 14.732 12.971 ( -5.652 0.000 -6.485) 8.602 13.671 ( -1.522 0.000 1.238) 1.961 13.672 ( -1.118 0.000 -1.653) 1.996 14.798 ( -2.293 0.000 1.042) 2.518 14.810 ( -2.032 0.000 0.767) 2.172 14.857 ( -4.141 0.000 -0.678) 4.196 15.104 ( 3.661 -0.000 -4.321) 5.663 20.974 ( 0.799 -0.000 4.500) 4.570 21.057 ( 2.935 -0.000 -6.018) 6.695 21.666 ( -9.030 0.000 9.728) 13.273 22.006 ( 0.213 -0.000 -0.033) 0.216 22.020 ( 0.231 -0.000 0.294) 0.374 22.077 ( 2.597 -0.000 -36.880) 36.971 23.405 ( -0.227 0.000 8.357) 8.360 23.485 ( 2.935 -0.000 -6.560) 7.186 24.016 ( -0.067 0.000 8.981) 8.982 24.066 ( 0.292 -0.000 3.378) 3.391 24.384 ( -0.629 0.000 -7.172) 7.199 24.637 ( 4.036 -0.000 14.972) 15.506 24.725 ( -1.872 0.000 -0.113) 1.875 24.798 ( -0.052 0.000 1.130) 1.131 24.899 ( 2.399 -0.000 5.308) 5.825 24.916 ( -1.925 0.000 0.941) 2.143 25.098 ( -8.512 0.000 2.805) 8.963 25.826 ( 15.556 -0.000 -3.764) 16.005 ======================= Grid point 225 (111/115) ======================= q-point: (-0.22 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( -14.844 -7.452 4.728) 17.269 1.503 ( -28.416 -14.011 -12.627) 34.106 1.832 ( -4.297 6.296 -3.482) 8.380 2.051 ( -2.692 -1.015 -3.136) 4.255 2.151 ( -0.841 6.166 -2.198) 6.599 2.317 ( -12.110 2.979 17.270) 21.302 2.517 ( 2.067 -5.483 -8.566) 10.379 2.649 ( 7.216 -7.573 -6.331) 12.227 2.762 ( 4.737 -3.217 -6.663) 8.786 2.861 ( -12.578 -11.297 17.278) 24.174 3.173 ( 4.354 2.150 -0.553) 4.888 3.337 ( 9.125 5.824 12.215) 16.322 3.586 ( 0.368 -0.110 2.756) 2.783 3.614 ( -5.990 6.139 2.469) 8.926 3.832 ( 6.946 3.379 1.116) 7.805 3.979 ( 3.034 1.204 5.961) 6.796 4.024 ( 1.026 7.331 0.938) 7.462 4.083 ( 6.839 0.008 -2.398) 7.248 4.430 ( 3.191 -2.798 2.931) 5.158 4.546 ( 4.436 -1.060 -1.039) 4.677 4.626 ( -6.153 0.525 -2.473) 6.652 4.670 ( 4.905 2.742 -5.858) 8.117 4.767 ( 2.385 4.380 -2.301) 5.492 4.838 ( -1.748 8.025 -1.783) 8.404 4.974 ( -2.080 7.014 -6.437) 9.745 5.061 ( -6.006 -3.729 -6.282) 9.457 5.170 ( -0.345 -8.357 -1.943) 8.587 5.250 ( -0.878 -2.756 -3.668) 4.671 5.455 ( 1.060 3.486 2.535) 4.439 5.488 ( 7.998 1.627 -2.204) 8.454 5.622 ( -2.155 -0.118 -1.333) 2.537 5.684 ( -2.551 -7.423 5.547) 9.612 5.762 ( -4.624 -4.886 0.222) 6.730 6.325 ( 5.859 10.796 -1.484) 12.373 6.531 ( 2.829 4.971 6.627) 8.754 6.663 ( 8.890 -5.033 3.373) 10.759 6.784 ( -5.393 -9.950 5.437) 12.556 6.909 ( -1.126 7.581 -13.168) 15.236 7.068 ( 2.556 3.767 5.686) 7.284 7.313 ( 8.527 6.550 -5.596) 12.121 7.525 ( 9.219 0.322 6.165) 11.095 7.627 ( 11.832 1.994 -8.894) 14.936 7.843 ( -10.089 -3.342 2.052) 10.824 8.027 ( -2.709 -0.413 4.047) 4.887 8.101 ( -0.763 -2.931 -4.973) 5.823 8.227 ( 1.394 3.045 4.922) 5.953 8.467 ( -2.384 -8.531 -3.207) 9.421 8.528 ( 1.983 -2.449 3.951) 5.054 8.694 ( -4.741 4.493 1.624) 6.730 8.793 ( -1.785 -1.087 6.419) 6.751 8.903 ( -4.382 -2.421 -2.740) 5.707 9.038 ( -1.628 -3.312 6.314) 7.313 9.183 ( -0.420 -2.709 -4.858) 5.578 9.291 ( -4.210 -1.171 3.955) 5.894 9.454 ( 1.383 0.997 -3.586) 3.971 9.637 ( 5.143 2.149 0.261) 5.580 9.767 ( -3.601 4.233 -1.600) 5.784 9.875 ( 0.752 -3.495 3.221) 4.812 10.386 ( -10.068 0.422 17.638) 20.314 10.730 ( 2.880 3.551 -16.755) 17.367 10.945 ( 3.312 -7.067 -19.852) 21.331 11.366 ( 11.520 0.980 0.029) 11.562 11.535 ( -0.573 7.209 0.696) 7.265 11.690 ( 5.968 2.838 1.189) 6.715 12.878 ( -8.277 -2.129 6.913) 10.993 12.950 ( -6.009 -5.754 -0.614) 8.343 13.658 ( -0.999 -0.169 -1.047) 1.457 13.666 ( -1.397 -0.607 0.541) 1.616 14.774 ( -3.342 0.879 -0.178) 3.461 14.783 ( -2.614 -0.448 0.451) 2.690 14.835 ( -3.278 -1.327 1.242) 3.748 15.103 ( 1.406 0.248 -7.041) 7.184 20.996 ( 1.185 0.220 4.540) 4.697 21.077 ( 2.847 -1.020 -5.166) 5.986 21.528 ( -10.821 7.782 4.495) 14.066 21.966 ( -0.704 -2.498 -33.480) 33.580 22.010 ( 0.342 -0.217 -1.073) 1.147 22.023 ( 0.300 -0.272 -2.643) 2.674 23.443 ( -0.249 -1.488 3.922) 4.202 23.516 ( 2.791 -2.599 -4.280) 5.732 24.061 ( 1.878 -0.058 11.183) 11.340 24.098 ( 0.056 -2.288 2.322) 3.260 24.366 ( 1.403 0.162 -3.294) 3.584 24.662 ( -3.621 0.862 2.416) 4.438 24.709 ( -1.296 0.544 0.483) 1.486 24.805 ( -0.446 -0.658 1.722) 1.897 24.920 ( -2.689 -2.646 0.350) 3.789 24.978 ( 8.504 2.996 13.023) 15.839 25.048 ( -3.187 0.239 10.199) 10.688 25.917 ( 14.508 4.663 -4.420) 15.867 ======================= Grid point 226 (112/115) ======================= q-point: (-0.11 -0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -1.745 -14.926 13.939) 20.497 1.507 ( -18.810 -16.422 -5.156) 25.497 1.634 ( -9.159 7.968 -7.289) 14.160 1.887 ( -17.181 0.360 2.094) 17.312 2.053 ( 1.228 -1.036 -10.598) 10.719 2.408 ( 7.259 -4.521 2.211) 8.833 2.554 ( -2.676 -3.497 7.859) 9.008 2.806 ( -3.649 -5.216 -10.384) 12.180 2.915 ( 8.473 -8.351 -4.980) 12.897 2.970 ( -3.259 -8.553 2.552) 9.501 3.167 ( 2.883 3.477 4.860) 6.635 3.332 ( 9.587 10.035 9.749) 16.961 3.480 ( -4.675 4.835 1.902) 6.989 3.594 ( -3.478 -3.197 3.002) 5.598 3.770 ( -2.553 9.994 -0.174) 10.317 3.829 ( 4.673 11.673 2.402) 12.801 4.028 ( 5.349 0.643 -0.124) 5.389 4.160 ( 7.368 -0.992 -0.026) 7.435 4.409 ( -3.447 5.345 -4.288) 7.671 4.513 ( -5.354 3.542 -5.981) 8.774 4.549 ( 1.553 8.375 1.373) 8.628 4.640 ( -1.626 5.690 -3.586) 6.920 4.701 ( -6.237 -2.093 2.388) 6.999 4.809 ( 8.862 -2.938 1.546) 9.463 4.853 ( 0.801 2.201 0.489) 2.393 5.124 ( -4.279 -5.531 1.256) 7.105 5.209 ( -1.769 0.278 -5.788) 6.059 5.300 ( -2.999 -6.862 3.900) 8.443 5.396 ( 0.553 1.527 0.150) 1.631 5.532 ( 3.570 -4.005 0.021) 5.365 5.594 ( -6.494 3.917 0.665) 7.613 5.786 ( 6.631 -5.334 -1.777) 8.694 5.924 ( 6.902 -9.497 -7.646) 14.010 6.195 ( 3.682 8.873 3.331) 10.168 6.486 ( 4.267 9.815 8.545) 13.695 6.687 ( 3.349 7.132 -13.333) 15.487 6.744 ( 0.042 3.583 -2.675) 4.472 6.928 ( -2.297 0.364 -1.129) 2.585 7.043 ( 1.094 -2.645 7.773) 8.283 7.277 ( 3.194 4.348 3.998) 6.715 7.578 ( 3.704 3.674 -1.975) 5.578 7.640 ( 6.862 2.185 8.176) 10.895 7.876 ( -1.656 -6.675 -5.539) 8.830 8.005 ( -4.928 0.311 3.021) 5.788 8.173 ( 3.014 -5.061 -1.675) 6.124 8.201 ( 1.653 -0.156 -2.835) 3.285 8.535 ( -5.334 1.520 0.404) 5.561 8.580 ( -0.050 -3.344 -0.274) 3.356 8.623 ( -0.604 -1.001 2.879) 3.107 8.804 ( 0.992 -0.194 -3.403) 3.550 8.958 ( 0.370 -4.836 4.964) 6.940 9.133 ( -0.318 -6.742 7.186) 9.858 9.177 ( -5.127 -1.572 -4.837) 7.222 9.293 ( -3.610 -1.674 4.941) 6.344 9.431 ( 0.528 1.672 -3.472) 3.889 9.600 ( -1.413 5.699 1.822) 6.147 9.664 ( 0.006 3.568 -2.107) 4.144 9.995 ( 4.760 -6.580 2.915) 8.628 10.327 ( -12.043 1.284 15.044) 19.314 10.670 ( 5.310 -0.066 -17.636) 18.418 11.017 ( 0.336 -6.469 -14.580) 15.955 11.367 ( -0.335 10.266 -3.994) 11.021 11.425 ( 7.623 2.738 -2.000) 8.343 11.717 ( 7.101 4.150 5.095) 9.675 12.886 ( -7.048 -4.980 6.151) 10.597 13.011 ( -4.424 -7.264 0.294) 8.510 13.652 ( -0.637 -0.396 -0.766) 1.072 13.668 ( -1.138 -0.972 0.273) 1.521 14.728 ( -3.113 0.366 -0.365) 3.156 14.779 ( -1.803 -1.097 1.298) 2.478 14.832 ( -3.838 -1.856 0.630) 4.309 15.085 ( 0.782 -0.134 -7.490) 7.532 21.027 ( 1.968 -0.284 5.203) 5.570 21.092 ( 1.335 -0.330 -4.577) 4.779 21.323 ( -10.788 4.594 2.528) 11.995 21.896 ( 0.443 -2.444 -30.369) 30.470 22.012 ( 0.139 0.145 -0.003) 0.201 22.022 ( 0.223 -0.243 -1.694) 1.726 23.464 ( -0.078 -0.563 -0.094) 0.576 23.572 ( 0.982 -2.690 -1.467) 3.217 24.120 ( 2.150 -0.203 7.498) 7.803 24.154 ( 1.078 -3.064 1.715) 3.673 24.390 ( 3.118 -0.865 2.182) 3.903 24.600 ( -5.436 1.361 -1.863) 5.905 24.676 ( -1.587 0.788 -1.470) 2.303 24.830 ( -0.234 -1.980 1.739) 2.645 24.937 ( -2.565 -1.697 1.507) 3.426 24.978 ( -2.596 0.107 1.261) 2.888 25.133 ( 9.300 4.981 24.204) 26.403 25.907 ( 11.666 9.554 -5.642) 16.100 ======================= Grid point 234 (113/115) ======================= q-point: (-0.22 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -15.168 0.000 7.252) 16.812 1.111 ( -21.841 0.000 5.974) 22.643 1.860 ( -3.135 0.000 -10.049) 10.527 1.985 ( -3.812 0.000 -0.585) 3.857 2.176 ( -14.437 0.000 11.950) 18.741 2.408 ( 2.328 -0.000 -17.614) 17.767 2.439 ( 10.252 -0.000 4.127) 11.052 2.587 ( -26.919 0.000 38.572) 47.037 2.634 ( 4.612 -0.000 0.002) 4.612 2.745 ( 2.529 -0.000 -16.426) 16.619 3.252 ( 9.300 -0.000 -5.283) 10.696 3.493 ( 4.665 -0.000 7.807) 9.094 3.551 ( -2.903 0.000 1.245) 3.159 3.653 ( -3.704 0.000 2.896) 4.701 3.943 ( 1.422 -0.000 2.484) 2.862 3.969 ( -0.538 0.000 -0.836) 0.994 4.089 ( -0.952 0.000 2.309) 2.498 4.155 ( 10.105 -0.000 -0.919) 10.147 4.429 ( -1.489 0.000 2.698) 3.082 4.532 ( -0.521 0.000 -4.804) 4.832 4.636 ( 3.221 -0.000 -7.735) 8.379 4.661 ( -0.306 0.000 -7.333) 7.339 4.841 ( -0.036 0.000 -6.110) 6.110 4.923 ( 0.647 -0.000 -5.219) 5.259 4.988 ( 2.914 -0.000 3.826) 4.810 4.998 ( -2.555 0.000 2.168) 3.351 5.125 ( 5.627 -0.000 -16.823) 17.739 5.162 ( 0.360 -0.000 0.942) 1.009 5.537 ( -2.628 0.000 0.513) 2.677 5.543 ( 1.686 -0.000 12.929) 13.038 5.619 ( -9.170 0.000 11.396) 14.627 5.643 ( -5.576 0.000 0.359) 5.587 5.657 ( 19.646 -0.000 -12.203) 23.127 6.380 ( -5.364 0.000 -8.325) 9.903 6.611 ( -8.514 0.000 10.123) 13.227 6.710 ( 15.988 -0.000 -0.829) 16.009 6.789 ( 12.155 -0.000 16.589) 20.565 6.924 ( 0.087 -0.000 -10.898) 10.899 7.164 ( 5.964 -0.000 5.496) 8.110 7.457 ( 11.253 -0.000 -8.049) 13.835 7.577 ( -3.078 0.000 2.638) 4.054 7.706 ( 2.946 -0.000 0.040) 2.946 7.768 ( 7.144 -0.000 -3.976) 8.176 8.029 ( -0.634 0.000 2.710) 2.783 8.045 ( -0.436 0.000 -5.590) 5.607 8.322 ( 1.662 -0.000 9.269) 9.416 8.344 ( -3.626 0.000 -1.334) 3.863 8.539 ( 2.164 -0.000 5.849) 6.236 8.705 ( -12.064 0.000 10.120) 15.746 8.708 ( -2.975 0.000 0.812) 3.084 8.842 ( -2.447 0.000 -5.281) 5.820 9.020 ( -1.304 0.000 5.071) 5.236 9.136 ( -1.098 0.000 -6.385) 6.478 9.230 ( -7.261 0.000 3.119) 7.902 9.476 ( 2.823 -0.000 -2.730) 3.927 9.705 ( 4.062 -0.000 0.790) 4.138 9.794 ( 1.382 -0.000 -8.139) 8.256 9.840 ( -2.343 0.000 8.504) 8.821 10.367 ( -9.728 0.000 19.617) 21.896 10.736 ( -6.499 0.000 -29.126) 29.842 10.809 ( 9.001 -0.000 -13.597) 16.306 11.457 ( 9.519 -0.000 -8.374) 12.678 11.649 ( 1.141 -0.000 11.517) 11.574 11.756 ( 8.106 -0.000 -1.868) 8.318 12.793 ( -8.990 0.000 -4.038) 9.856 12.827 ( -9.126 0.000 9.542) 13.204 13.645 ( -0.467 0.000 -1.330) 1.409 13.651 ( -1.220 0.000 0.908) 1.521 14.744 ( -3.694 0.000 -1.287) 3.911 14.755 ( -3.030 0.000 1.099) 3.223 14.798 ( -3.621 0.000 1.837) 4.060 15.052 ( -4.692 0.000 -11.399) 12.327 21.019 ( 1.303 -0.000 1.896) 2.301 21.087 ( 3.714 -0.000 -2.908) 4.717 21.545 ( -8.556 0.000 4.041) 9.462 21.705 ( -11.995 0.000 -40.017) 41.776 22.011 ( 0.288 -0.000 -0.101) 0.305 22.023 ( 0.000 -0.000 0.152) 0.152 23.449 ( -0.235 0.000 5.150) 5.155 23.508 ( 3.707 -0.000 -4.944) 6.179 24.087 ( -0.101 0.000 2.226) 2.228 24.123 ( 3.760 -0.000 8.940) 9.698 24.380 ( 2.585 -0.000 -0.425) 2.620 24.619 ( -6.156 0.000 -1.952) 6.458 24.712 ( -0.643 0.000 0.160) 0.662 24.795 ( -1.448 0.000 1.204) 1.883 24.861 ( -4.005 0.000 0.098) 4.006 24.975 ( -5.038 0.000 0.102) 5.039 25.301 ( 22.225 -0.000 32.082) 39.028 26.078 ( 14.085 -0.000 -4.084) 14.665 ======================= Grid point 235 (114/115) ======================= q-point: (-0.11 -0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 203 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.020 ( -14.596 -12.243 4.781) 19.642 1.205 ( 1.262 -15.808 23.695) 28.512 1.713 ( -10.870 9.556 -0.737) 14.492 1.835 ( -12.021 3.984 4.107) 13.313 2.085 ( 2.000 5.234 -1.623) 5.833 2.366 ( 4.500 -4.726 -2.092) 6.853 2.526 ( -1.709 -0.401 -2.561) 3.105 2.649 ( -13.429 -7.526 14.879) 21.409 2.724 ( -7.641 -10.853 -5.921) 14.534 2.803 ( 8.493 -10.766 -2.639) 13.965 3.274 ( 5.450 3.781 -3.032) 7.294 3.481 ( -4.414 2.297 2.594) 5.611 3.545 ( 0.860 2.201 3.556) 4.270 3.609 ( 5.333 6.009 4.716) 9.316 3.862 ( -3.456 4.907 -1.701) 6.239 3.987 ( -3.857 1.384 0.934) 4.203 4.062 ( 2.503 1.922 -4.739) 5.694 4.229 ( 6.791 0.202 0.222) 6.798 4.386 ( -3.832 3.697 -3.865) 6.580 4.445 ( -7.637 0.916 -15.100) 16.946 4.541 ( -3.739 -1.215 -0.277) 3.942 4.760 ( 2.384 2.464 -3.655) 5.011 4.786 ( 3.211 -0.029 -3.320) 4.619 4.905 ( 6.360 9.615 5.698) 12.860 4.930 ( 3.886 3.318 -0.048) 5.110 5.017 ( 2.380 -4.866 -3.103) 6.243 5.177 ( 4.005 -3.225 -3.272) 6.095 5.236 ( 0.348 -0.011 2.501) 2.526 5.421 ( -7.242 -3.057 1.628) 8.028 5.494 ( -1.098 8.342 7.077) 10.995 5.603 ( -5.436 1.639 1.574) 5.891 5.744 ( 2.013 -6.444 7.614) 10.176 5.868 ( 20.952 -6.871 -13.290) 25.746 6.285 ( -3.580 2.305 -2.597) 4.987 6.634 ( -10.509 -6.126 1.173) 12.221 6.714 ( 3.705 8.939 -0.813) 9.711 6.879 ( 6.880 -0.786 -0.029) 6.925 6.953 ( 16.156 10.640 10.868) 22.189 7.166 ( 3.664 8.137 2.969) 9.405 7.412 ( 2.146 7.008 2.169) 7.643 7.642 ( 0.517 -9.425 -1.952) 9.639 7.711 ( 2.334 6.751 -2.088) 7.442 7.832 ( 10.597 1.174 -0.629) 10.681 8.001 ( -1.254 2.046 1.637) 2.905 8.108 ( 3.881 -6.527 -1.851) 7.816 8.233 ( -3.250 7.673 -1.252) 8.427 8.367 ( -6.826 -7.622 0.303) 10.237 8.613 ( 3.938 -1.628 5.384) 6.866 8.645 ( -2.806 3.304 5.426) 6.945 8.809 ( 0.336 -0.438 -1.231) 1.349 8.819 ( -3.191 -13.559 5.218) 14.875 9.046 ( -2.335 -3.472 4.447) 6.106 9.096 ( -3.700 -0.863 -6.182) 7.257 9.209 ( -6.471 -4.011 3.126) 8.230 9.467 ( 0.524 2.806 -2.145) 3.571 9.682 ( -2.817 6.044 2.474) 7.112 9.731 ( 2.663 3.113 -2.955) 5.051 9.925 ( 1.768 -6.982 1.973) 7.468 10.310 ( -10.923 3.352 12.653) 17.048 10.592 ( -5.128 -5.370 -22.948) 24.120 10.885 ( 6.580 -3.656 -13.047) 15.063 11.456 ( 2.286 4.631 -11.703) 12.792 11.606 ( 5.802 8.371 7.464) 12.628 11.855 ( 7.922 1.476 3.907) 8.955 12.731 ( -8.108 -5.416 -0.902) 9.792 12.842 ( -8.383 -7.464 5.046) 12.306 13.640 ( -0.021 -0.159 -0.931) 0.945 13.648 ( -0.911 -0.458 0.646) 1.206 14.700 ( -3.321 0.541 -0.913) 3.486 14.742 ( -2.648 -1.360 1.358) 3.272 14.773 ( -4.641 -0.850 1.016) 4.826 14.986 ( -6.444 -4.868 -11.668) 14.190 21.038 ( 0.913 -0.558 -0.093) 1.074 21.113 ( 3.888 0.437 -0.695) 3.974 21.303 ( -13.315 7.087 -5.529) 16.065 21.649 ( -7.380 -10.616 -22.958) 26.348 22.014 ( 0.236 -0.040 -0.089) 0.255 22.022 ( -0.074 0.175 0.033) 0.193 23.465 ( 0.225 -0.217 2.825) 2.842 23.541 ( 2.357 -1.696 -2.929) 4.125 24.107 ( 0.966 -1.333 0.131) 1.652 24.195 ( 4.725 -0.494 7.031) 8.486 24.412 ( 2.216 -0.586 2.785) 3.608 24.542 ( -6.665 0.530 -4.334) 7.968 24.689 ( -0.190 1.664 0.187) 1.685 24.797 ( -1.642 -1.742 1.199) 2.678 24.857 ( -3.323 -3.344 -0.274) 4.722 24.934 ( -4.519 -0.553 0.028) 4.553 25.545 ( 22.690 11.650 29.563) 39.045 26.134 ( 11.568 6.523 -4.325) 13.967 ======================= Grid point 244 (115/115) ======================= q-point: (-0.11 -0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 2.98e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 115 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 2.996 -0.000 20.035) 20.258 1.162 ( 7.070 -0.000 34.997) 35.704 1.701 ( -24.444 0.000 15.722) 29.064 1.751 ( 1.330 -0.000 -13.260) 13.326 2.170 ( 4.306 -0.000 -3.295) 5.423 2.324 ( -28.579 0.000 42.186) 50.955 2.409 ( 10.605 -0.000 -15.120) 18.469 2.499 ( -9.297 0.000 -10.548) 14.060 2.611 ( 2.079 -0.000 -9.898) 10.114 2.800 ( 11.318 -0.000 2.548) 11.602 3.320 ( 1.996 -0.000 -9.024) 9.242 3.438 ( -11.206 0.000 10.585) 15.415 3.645 ( 9.154 -0.000 5.689) 10.778 3.709 ( 2.582 -0.000 -8.943) 9.308 3.859 ( -5.386 0.000 -9.834) 11.213 3.872 ( -7.521 0.000 -0.121) 7.522 4.109 ( 2.148 -0.000 -0.348) 2.176 4.262 ( 2.710 -0.000 -5.193) 5.858 4.328 ( -9.522 0.000 -14.003) 16.933 4.347 ( -5.100 0.000 -0.351) 5.112 4.620 ( 1.346 -0.000 -0.390) 1.401 4.670 ( 4.212 -0.000 -3.434) 5.435 4.808 ( 5.294 -0.000 -7.912) 9.520 4.944 ( -4.567 0.000 0.974) 4.670 5.008 ( 3.627 -0.000 3.730) 5.203 5.072 ( 1.442 -0.000 5.570) 5.753 5.197 ( 1.327 -0.000 2.530) 2.856 5.262 ( 13.534 -0.000 -6.692) 15.098 5.400 ( -4.802 0.000 -6.114) 7.774 5.522 ( -7.368 0.000 13.253) 15.163 5.609 ( -0.873 0.000 1.322) 1.584 5.764 ( 0.889 -0.000 10.125) 10.164 5.968 ( 22.438 -0.000 -13.914) 26.402 6.287 ( 4.982 -0.000 2.230) 5.458 6.452 ( -12.446 0.000 4.280) 13.161 6.822 ( 3.873 -0.000 -9.126) 9.914 6.877 ( -4.691 0.000 5.175) 6.985 7.236 ( -7.785 0.000 -8.330) 11.402 7.416 ( 33.087 -0.000 15.712) 36.628 7.494 ( 8.691 -0.000 10.206) 13.405 7.610 ( 10.589 -0.000 -6.146) 12.243 7.797 ( 3.282 -0.000 2.266) 3.988 7.976 ( 13.750 -0.000 -5.391) 14.769 8.015 ( 0.811 -0.000 -4.177) 4.255 8.039 ( 0.102 -0.000 1.292) 1.296 8.232 ( -7.314 0.000 4.030) 8.351 8.429 ( 5.400 -0.000 0.402) 5.415 8.482 ( -16.378 0.000 11.810) 20.192 8.677 ( 5.684 -0.000 6.487) 8.625 8.702 ( -0.559 0.000 6.474) 6.498 8.775 ( -1.775 0.000 -1.801) 2.529 9.013 ( -1.371 0.000 0.772) 1.573 9.043 ( -2.631 0.000 -7.543) 7.989 9.099 ( -7.992 0.000 2.174) 8.283 9.495 ( -0.155 0.000 -2.486) 2.491 9.730 ( -8.328 0.000 5.660) 10.069 9.779 ( -6.275 0.000 -7.426) 9.722 9.798 ( 3.794 -0.000 -6.276) 7.334 10.292 ( -16.754 0.000 -16.010) 23.174 10.325 ( -6.878 0.000 11.876) 13.724 10.919 ( 10.423 -0.000 -7.310) 12.731 11.473 ( 1.294 -0.000 -14.421) 14.479 11.784 ( 4.346 -0.000 11.500) 12.294 11.946 ( 10.440 -0.000 0.206) 10.442 12.602 ( -8.632 0.000 -1.326) 8.733 12.674 ( -11.739 0.000 2.069) 11.920 13.640 ( 0.623 -0.000 -0.646) 0.898 13.641 ( -0.549 0.000 0.700) 0.889 14.680 ( -2.281 0.000 -0.823) 2.425 14.705 ( -2.905 0.000 0.496) 2.947 14.732 ( -3.998 0.000 0.753) 4.069 14.782 ( -12.755 0.000 -7.592) 14.843 21.038 ( 0.455 -0.000 -1.605) 1.668 21.157 ( 4.824 -0.000 0.072) 4.824 21.193 ( -16.631 0.000 -15.477) 22.718 21.417 ( -6.876 0.000 0.933) 6.939 22.015 ( 0.241 -0.000 -0.078) 0.253 22.022 ( -0.180 0.000 0.054) 0.188 23.474 ( -0.510 0.000 4.147) 4.178 23.543 ( 3.014 -0.000 -3.769) 4.825 24.117 ( 2.751 -0.000 1.158) 2.985 24.256 ( 4.534 -0.000 4.373) 6.299 24.429 ( -0.185 0.000 3.650) 3.654 24.472 ( -5.036 0.000 -5.903) 7.759 24.714 ( 0.528 -0.000 0.776) 0.939 24.751 ( -3.074 0.000 0.994) 3.231 24.805 ( -1.525 0.000 -0.505) 1.607 24.886 ( -4.312 0.000 -0.601) 4.354 25.996 ( 26.443 -0.000 17.175) 31.531 26.278 ( 9.285 -0.000 -2.686) 9.666 =================== 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 3/36450 10.0 135.255 124.836 124.520 0.000 -27.495 -0.000 3/36450 20.0 17.741 14.507 21.674 0.000 -0.069 -0.000 3/36450 30.0 6.637 5.425 8.510 0.000 0.354 -0.000 3/36450 40.0 3.684 3.022 4.853 -0.000 0.275 -0.000 3/36450 50.0 2.474 2.035 3.307 -0.000 0.205 -0.000 3/36450 60.0 1.854 1.528 2.496 -0.000 0.157 -0.000 3/36450 70.0 1.487 1.228 2.011 -0.000 0.123 -0.000 3/36450 80.0 1.249 1.032 1.694 -0.000 0.099 -0.000 3/36450 90.0 1.082 0.895 1.473 -0.000 0.080 -0.000 3/36450 100.0 0.960 0.793 1.311 -0.000 0.066 -0.000 3/36450 110.0 0.865 0.715 1.188 -0.000 0.054 -0.000 3/36450 120.0 0.790 0.652 1.091 -0.000 0.045 -0.000 3/36450 130.0 0.729 0.601 1.014 -0.000 0.037 -0.000 3/36450 140.0 0.679 0.559 0.950 -0.000 0.031 -0.000 3/36450 150.0 0.636 0.523 0.898 -0.000 0.026 -0.000 3/36450 160.0 0.599 0.492 0.853 -0.000 0.021 -0.000 3/36450 170.0 0.567 0.465 0.816 0.000 0.018 -0.000 3/36450 180.0 0.540 0.442 0.784 0.000 0.015 -0.000 3/36450 190.0 0.515 0.421 0.756 0.000 0.012 -0.000 3/36450 200.0 0.493 0.403 0.732 0.000 0.010 -0.000 3/36450 210.0 0.474 0.386 0.710 0.000 0.008 -0.000 3/36450 220.0 0.456 0.371 0.691 0.000 0.007 -0.000 3/36450 230.0 0.441 0.358 0.674 0.000 0.006 -0.000 3/36450 240.0 0.426 0.346 0.659 0.000 0.004 -0.000 3/36450 250.0 0.413 0.334 0.644 0.000 0.004 -0.000 3/36450 260.0 0.401 0.324 0.631 0.000 0.003 -0.000 3/36450 270.0 0.389 0.314 0.619 0.000 0.002 -0.000 3/36450 280.0 0.379 0.305 0.608 0.000 0.002 -0.000 3/36450 290.0 0.369 0.297 0.597 0.000 0.001 -0.000 3/36450 300.0 0.360 0.289 0.586 0.000 0.001 -0.000 3/36450 310.0 0.351 0.282 0.576 0.000 0.000 -0.000 3/36450 320.0 0.343 0.275 0.567 0.000 0.000 -0.000 3/36450 330.0 0.335 0.268 0.558 0.000 -0.000 -0.000 3/36450 340.0 0.328 0.262 0.549 0.000 -0.000 -0.000 3/36450 350.0 0.321 0.256 0.541 0.000 -0.001 -0.000 3/36450 360.0 0.314 0.250 0.532 0.000 -0.001 -0.000 3/36450 370.0 0.308 0.245 0.524 0.000 -0.001 -0.000 3/36450 380.0 0.302 0.240 0.516 0.000 -0.001 -0.000 3/36450 390.0 0.296 0.235 0.509 0.000 -0.001 -0.000 3/36450 400.0 0.290 0.230 0.501 0.000 -0.001 -0.000 3/36450 410.0 0.285 0.226 0.494 0.000 -0.001 -0.000 3/36450 420.0 0.280 0.222 0.487 0.000 -0.001 -0.000 3/36450 430.0 0.275 0.217 0.480 0.000 -0.001 -0.000 3/36450 440.0 0.270 0.213 0.473 0.000 -0.001 -0.000 3/36450 450.0 0.265 0.210 0.467 0.000 -0.001 -0.000 3/36450 460.0 0.261 0.206 0.460 0.000 -0.001 -0.000 3/36450 470.0 0.256 0.202 0.454 0.000 -0.001 -0.000 3/36450 480.0 0.252 0.199 0.448 0.000 -0.001 -0.000 3/36450 490.0 0.248 0.195 0.442 0.000 -0.001 -0.000 3/36450 500.0 0.244 0.192 0.436 0.000 -0.001 -0.000 3/36450 510.0 0.240 0.189 0.430 0.000 -0.001 -0.000 3/36450 520.0 0.237 0.186 0.424 0.000 -0.001 -0.000 3/36450 530.0 0.233 0.183 0.419 0.000 -0.001 -0.000 3/36450 540.0 0.229 0.180 0.413 0.000 -0.001 -0.000 3/36450 550.0 0.226 0.177 0.408 0.000 -0.001 -0.000 3/36450 560.0 0.223 0.175 0.403 0.000 -0.001 -0.000 3/36450 570.0 0.220 0.172 0.397 0.000 -0.001 -0.000 3/36450 580.0 0.216 0.170 0.392 0.000 -0.001 -0.000 3/36450 590.0 0.213 0.167 0.388 0.000 -0.001 -0.000 3/36450 600.0 0.210 0.165 0.383 0.000 -0.001 -0.000 3/36450 610.0 0.207 0.162 0.378 0.000 -0.001 -0.000 3/36450 620.0 0.205 0.160 0.373 0.000 -0.001 -0.000 3/36450 630.0 0.202 0.158 0.369 0.000 -0.001 -0.000 3/36450 640.0 0.199 0.156 0.365 0.000 -0.001 -0.000 3/36450 650.0 0.197 0.154 0.360 0.000 -0.001 -0.000 3/36450 660.0 0.194 0.152 0.356 0.000 -0.001 -0.000 3/36450 670.0 0.192 0.150 0.352 0.000 -0.001 -0.000 3/36450 680.0 0.189 0.148 0.348 0.000 -0.001 -0.000 3/36450 690.0 0.187 0.146 0.344 0.000 -0.001 -0.000 3/36450 700.0 0.184 0.144 0.340 0.000 -0.001 -0.000 3/36450 710.0 0.182 0.142 0.336 0.000 -0.001 -0.000 3/36450 720.0 0.180 0.140 0.332 0.000 -0.001 -0.000 3/36450 730.0 0.178 0.139 0.329 0.000 -0.001 -0.000 3/36450 740.0 0.176 0.137 0.325 0.000 -0.001 -0.000 3/36450 750.0 0.174 0.135 0.321 0.000 -0.001 -0.000 3/36450 760.0 0.172 0.134 0.318 0.000 -0.001 -0.000 3/36450 770.0 0.170 0.132 0.315 0.000 -0.001 -0.000 3/36450 780.0 0.168 0.131 0.311 0.000 -0.001 -0.000 3/36450 790.0 0.166 0.129 0.308 0.000 -0.001 -0.000 3/36450 800.0 0.164 0.128 0.305 0.000 -0.001 -0.000 3/36450 810.0 0.162 0.126 0.302 0.000 -0.001 -0.000 3/36450 820.0 0.160 0.125 0.298 0.000 -0.001 -0.000 3/36450 830.0 0.159 0.123 0.295 0.000 -0.001 -0.000 3/36450 840.0 0.157 0.122 0.292 0.000 -0.001 -0.000 3/36450 850.0 0.155 0.121 0.290 0.000 -0.001 -0.000 3/36450 860.0 0.154 0.120 0.287 0.000 -0.001 -0.000 3/36450 870.0 0.152 0.118 0.284 0.000 -0.001 -0.000 3/36450 880.0 0.151 0.117 0.281 0.000 -0.001 -0.000 3/36450 890.0 0.149 0.116 0.278 0.000 -0.001 -0.000 3/36450 900.0 0.148 0.115 0.276 0.000 -0.001 -0.000 3/36450 910.0 0.146 0.113 0.273 0.000 -0.001 -0.000 3/36450 920.0 0.145 0.112 0.270 0.000 -0.001 -0.000 3/36450 930.0 0.143 0.111 0.268 0.000 -0.001 -0.000 3/36450 940.0 0.142 0.110 0.265 0.000 -0.001 -0.000 3/36450 950.0 0.140 0.109 0.263 0.000 -0.001 -0.000 3/36450 960.0 0.139 0.108 0.261 0.000 -0.001 -0.000 3/36450 970.0 0.138 0.107 0.258 0.000 -0.001 -0.000 3/36450 980.0 0.136 0.106 0.256 0.000 -0.001 -0.000 3/36450 990.0 0.135 0.105 0.254 0.000 -0.001 -0.000 3/36450 1000.0 0.134 0.104 0.251 0.000 -0.001 -0.000 3/36450 Thermal conductivity related properties were written into "kappa-m995.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 03:16:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|