----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 17:57:33]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) Number of symmetry operations in supercell: 64 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.923867834999999 10.432966824999998 b 3.558039795000000 0.000000000000000 10.432966824999998 c 3.558039795000000 4.923867834999999 0.000000000000000 Atomic positions (fractional): *1 Ir 0.58348843780385 0.58348843780385 0.41651156219615 192.217 2 Ir 0.66651156219615 0.66651156219615 0.83348843780385 192.217 3 Ir 0.83348843780385 0.83348843780385 0.66651156219615 192.217 4 Ir 0.41651156219615 0.41651156219615 0.58348843780385 192.217 *5 Cl 0.71941236288163 0.28058763711837 0.28058763711837 35.453 *6 Cl 0.58395751361544 0.09150568141626 0.44169413953235 35.453 7 Cl 0.66604248638456 0.15849431858374 0.80830586046765 35.453 8 Cl 0.09150568141626 0.58395751361544 0.88284266543595 35.453 9 Cl 0.80830586046765 0.36715733456405 0.66604248638456 35.453 10 Cl 0.28058763711837 0.71941236288163 0.71941236288163 35.453 11 Cl 0.53058763711837 0.96941236288163 0.96941236288163 35.453 12 Cl 0.96941236288163 0.53058763711837 0.53058763711837 35.453 13 Cl 0.44169413953235 0.88284266543595 0.58395751361544 35.453 14 Cl 0.15849431858374 0.66604248638456 0.36715733456405 35.453 15 Cl 0.36715733456405 0.80830586046765 0.15849431858374 35.453 16 Cl 0.88284266543595 0.44169413953235 0.09150568141626 35.453 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.116079590000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.847735669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 20.865933649999995 Atomic positions (fractional): *1 Ir 0.50000000000000 0.00000000000000 0.08348843780385 192.217 > 1 2 Ir 0.75000000000000 0.25000000000000 0.16651156219615 192.217 > 2 3 Ir 0.75000000000000 0.25000000000000 0.33348843780385 192.217 > 3 4 Ir 0.00000000000000 0.00000000000000 0.41651156219615 192.217 > 4 5 Ir 0.50000000000000 0.50000000000000 0.58348843780385 192.217 > 1 6 Ir 0.75000000000000 0.75000000000000 0.66651156219615 192.217 > 2 7 Ir 0.75000000000000 0.75000000000000 0.83348843780385 192.217 > 3 8 Ir 0.00000000000000 0.50000000000000 0.91651156219615 192.217 > 4 9 Ir 0.00000000000000 0.00000000000000 0.58348843780385 192.217 > 1 10 Ir 0.25000000000000 0.25000000000000 0.66651156219615 192.217 > 2 11 Ir 0.25000000000000 0.25000000000000 0.83348843780385 192.217 > 3 12 Ir 0.50000000000000 0.00000000000000 0.91651156219615 192.217 > 4 13 Ir 0.00000000000000 0.50000000000000 0.08348843780385 192.217 > 1 14 Ir 0.25000000000000 0.75000000000000 0.16651156219615 192.217 > 2 15 Ir 0.25000000000000 0.75000000000000 0.33348843780385 192.217 > 3 16 Ir 0.50000000000000 0.50000000000000 0.41651156219615 192.217 > 4 *17 Cl 0.28058763711837 0.00000000000000 0.00000000000000 35.453 > 5 *18 Cl 0.76659991047430 0.01282582657389 0.33773159751585 35.453 > 6 19 Cl 0.98340008952570 0.23717417342611 0.41226840248415 35.453 > 7 20 Cl 0.23340008952569 0.98717417342611 0.33773159751585 35.453 > 8 21 Cl 0.51659991047430 0.23717417342611 0.08773159751585 35.453 > 9 22 Cl 0.71941236288163 0.00000000000000 0.00000000000000 35.453 > 10 23 Cl 0.96941236288163 0.25000000000000 0.25000000000000 35.453 > 11 24 Cl 0.53058763711837 0.25000000000000 0.25000000000000 35.453 > 12 25 Cl 0.73340008952570 0.01282582657389 0.16226840248415 35.453 > 13 26 Cl 0.01659991047431 0.76282582657389 0.41226840248415 35.453 > 14 27 Cl 0.48340008952570 0.76282582657389 0.08773159751585 35.453 > 15 28 Cl 0.26659991047430 0.98717417342611 0.16226840248415 35.453 > 16 29 Cl 0.28058763711837 0.50000000000000 0.50000000000000 35.453 > 5 30 Cl 0.76659991047430 0.51282582657389 0.83773159751585 35.453 > 6 31 Cl 0.98340008952570 0.73717417342611 0.91226840248415 35.453 > 7 32 Cl 0.23340008952569 0.48717417342611 0.83773159751585 35.453 > 8 33 Cl 0.51659991047430 0.73717417342611 0.58773159751585 35.453 > 9 34 Cl 0.71941236288163 0.50000000000000 0.50000000000000 35.453 > 10 35 Cl 0.96941236288163 0.75000000000000 0.75000000000000 35.453 > 11 36 Cl 0.53058763711837 0.75000000000000 0.75000000000000 35.453 > 12 37 Cl 0.73340008952570 0.51282582657389 0.66226840248415 35.453 > 13 38 Cl 0.01659991047431 0.26282582657389 0.91226840248415 35.453 > 14 39 Cl 0.48340008952570 0.26282582657389 0.58773159751585 35.453 > 15 40 Cl 0.26659991047430 0.48717417342611 0.66226840248415 35.453 > 16 41 Cl 0.78058763711837 0.00000000000000 0.50000000000000 35.453 > 5 42 Cl 0.26659991047430 0.01282582657389 0.83773159751585 35.453 > 6 43 Cl 0.48340008952570 0.23717417342611 0.91226840248415 35.453 > 7 44 Cl 0.73340008952570 0.98717417342611 0.83773159751585 35.453 > 8 45 Cl 0.01659991047431 0.23717417342611 0.58773159751585 35.453 > 9 46 Cl 0.21941236288163 0.00000000000000 0.50000000000000 35.453 > 10 47 Cl 0.46941236288163 0.25000000000000 0.75000000000000 35.453 > 11 48 Cl 0.03058763711837 0.25000000000000 0.75000000000000 35.453 > 12 49 Cl 0.23340008952569 0.01282582657389 0.66226840248415 35.453 > 13 50 Cl 0.51659991047430 0.76282582657389 0.91226840248415 35.453 > 14 51 Cl 0.98340008952570 0.76282582657389 0.58773159751585 35.453 > 15 52 Cl 0.76659991047430 0.98717417342611 0.66226840248415 35.453 > 16 53 Cl 0.78058763711837 0.50000000000000 0.00000000000000 35.453 > 5 54 Cl 0.26659991047430 0.51282582657389 0.33773159751585 35.453 > 6 55 Cl 0.48340008952570 0.73717417342611 0.41226840248415 35.453 > 7 56 Cl 0.73340008952570 0.48717417342611 0.33773159751585 35.453 > 8 57 Cl 0.01659991047431 0.73717417342611 0.08773159751585 35.453 > 9 58 Cl 0.21941236288163 0.50000000000000 0.00000000000000 35.453 > 10 59 Cl 0.46941236288163 0.75000000000000 0.25000000000000 35.453 > 11 60 Cl 0.03058763711837 0.75000000000000 0.25000000000000 35.453 > 12 61 Cl 0.23340008952569 0.51282582657389 0.16226840248415 35.453 > 13 62 Cl 0.51659991047430 0.26282582657389 0.41226840248415 35.453 > 14 63 Cl 0.98340008952570 0.26282582657389 0.08773159751585 35.453 > 15 64 Cl 0.76659991047430 0.48717417342611 0.16226840248415 35.453 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.232159180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.847735669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 20.865933649999995 Atomic positions (fractional): *1 Ir 0.25000000000000 0.00000000000000 0.08348843780385 192.217 > 1 2 Ir 0.75000000000000 0.00000000000000 0.08348843780385 192.217 > 1 3 Ir 0.37500000000000 0.25000000000000 0.16651156219615 192.217 > 2 4 Ir 0.87500000000000 0.25000000000000 0.16651156219615 192.217 > 2 5 Ir 0.37500000000000 0.25000000000000 0.33348843780385 192.217 > 3 6 Ir 0.87500000000000 0.25000000000000 0.33348843780385 192.217 > 3 7 Ir 0.00000000000000 0.00000000000000 0.41651156219615 192.217 > 4 8 Ir 0.50000000000000 0.00000000000000 0.41651156219615 192.217 > 4 9 Ir 0.25000000000000 0.50000000000000 0.58348843780385 192.217 > 1 10 Ir 0.75000000000000 0.50000000000000 0.58348843780385 192.217 > 1 11 Ir 0.37500000000000 0.75000000000000 0.66651156219615 192.217 > 2 12 Ir 0.87500000000000 0.75000000000000 0.66651156219615 192.217 > 2 13 Ir 0.37500000000000 0.75000000000000 0.83348843780385 192.217 > 3 14 Ir 0.87500000000000 0.75000000000000 0.83348843780385 192.217 > 3 15 Ir 0.00000000000000 0.50000000000000 0.91651156219615 192.217 > 4 16 Ir 0.50000000000000 0.50000000000000 0.91651156219615 192.217 > 4 17 Ir 0.00000000000000 0.00000000000000 0.58348843780385 192.217 > 1 18 Ir 0.50000000000000 0.00000000000000 0.58348843780385 192.217 > 1 19 Ir 0.12500000000000 0.25000000000000 0.66651156219615 192.217 > 2 20 Ir 0.62500000000000 0.25000000000000 0.66651156219615 192.217 > 2 21 Ir 0.12500000000000 0.25000000000000 0.83348843780385 192.217 > 3 22 Ir 0.62500000000000 0.25000000000000 0.83348843780385 192.217 > 3 23 Ir 0.25000000000000 0.00000000000000 0.91651156219615 192.217 > 4 24 Ir 0.75000000000000 0.00000000000000 0.91651156219615 192.217 > 4 25 Ir 0.00000000000000 0.50000000000000 0.08348843780385 192.217 > 1 26 Ir 0.50000000000000 0.50000000000000 0.08348843780385 192.217 > 1 27 Ir 0.12500000000000 0.75000000000000 0.16651156219615 192.217 > 2 28 Ir 0.62500000000000 0.75000000000000 0.16651156219615 192.217 > 2 29 Ir 0.12500000000000 0.75000000000000 0.33348843780385 192.217 > 3 30 Ir 0.62500000000000 0.75000000000000 0.33348843780385 192.217 > 3 31 Ir 0.25000000000000 0.50000000000000 0.41651156219615 192.217 > 4 32 Ir 0.75000000000000 0.50000000000000 0.41651156219615 192.217 > 4 *33 Cl 0.14029381855918 0.00000000000000 0.00000000000000 35.453 > 5 34 Cl 0.64029381855918 0.00000000000000 0.00000000000000 35.453 > 5 *35 Cl 0.38329995523715 0.01282582657389 0.33773159751585 35.453 > 6 36 Cl 0.88329995523715 0.01282582657389 0.33773159751585 35.453 > 6 37 Cl 0.49170004476285 0.23717417342611 0.41226840248415 35.453 > 7 38 Cl 0.99170004476285 0.23717417342611 0.41226840248415 35.453 > 7 39 Cl 0.11670004476285 0.98717417342611 0.33773159751585 35.453 > 8 40 Cl 0.61670004476285 0.98717417342611 0.33773159751585 35.453 > 8 41 Cl 0.25829995523715 0.23717417342611 0.08773159751585 35.453 > 9 42 Cl 0.75829995523715 0.23717417342611 0.08773159751585 35.453 > 9 43 Cl 0.35970618144082 0.00000000000000 0.00000000000000 35.453 > 10 44 Cl 0.85970618144082 0.00000000000000 0.00000000000000 35.453 > 10 45 Cl 0.48470618144082 0.25000000000000 0.25000000000000 35.453 > 11 46 Cl 0.98470618144082 0.25000000000000 0.25000000000000 35.453 > 11 47 Cl 0.26529381855918 0.25000000000000 0.25000000000000 35.453 > 12 48 Cl 0.76529381855918 0.25000000000000 0.25000000000000 35.453 > 12 49 Cl 0.36670004476285 0.01282582657389 0.16226840248415 35.453 > 13 50 Cl 0.86670004476285 0.01282582657389 0.16226840248415 35.453 > 13 51 Cl 0.00829995523715 0.76282582657389 0.41226840248415 35.453 > 14 52 Cl 0.50829995523715 0.76282582657389 0.41226840248415 35.453 > 14 53 Cl 0.24170004476285 0.76282582657389 0.08773159751585 35.453 > 15 54 Cl 0.74170004476285 0.76282582657389 0.08773159751585 35.453 > 15 55 Cl 0.13329995523715 0.98717417342611 0.16226840248415 35.453 > 16 56 Cl 0.63329995523715 0.98717417342611 0.16226840248415 35.453 > 16 57 Cl 0.14029381855918 0.50000000000000 0.50000000000000 35.453 > 5 58 Cl 0.64029381855918 0.50000000000000 0.50000000000000 35.453 > 5 59 Cl 0.38329995523715 0.51282582657389 0.83773159751585 35.453 > 6 60 Cl 0.88329995523715 0.51282582657389 0.83773159751585 35.453 > 6 61 Cl 0.49170004476285 0.73717417342611 0.91226840248415 35.453 > 7 62 Cl 0.99170004476285 0.73717417342611 0.91226840248415 35.453 > 7 63 Cl 0.11670004476285 0.48717417342611 0.83773159751585 35.453 > 8 64 Cl 0.61670004476285 0.48717417342611 0.83773159751585 35.453 > 8 65 Cl 0.25829995523715 0.73717417342611 0.58773159751585 35.453 > 9 66 Cl 0.75829995523715 0.73717417342611 0.58773159751585 35.453 > 9 67 Cl 0.35970618144082 0.50000000000000 0.50000000000000 35.453 > 10 68 Cl 0.85970618144082 0.50000000000000 0.50000000000000 35.453 > 10 69 Cl 0.48470618144082 0.75000000000000 0.75000000000000 35.453 > 11 70 Cl 0.98470618144082 0.75000000000000 0.75000000000000 35.453 > 11 71 Cl 0.26529381855918 0.75000000000000 0.75000000000000 35.453 > 12 72 Cl 0.76529381855918 0.75000000000000 0.75000000000000 35.453 > 12 73 Cl 0.36670004476285 0.51282582657389 0.66226840248415 35.453 > 13 74 Cl 0.86670004476285 0.51282582657389 0.66226840248415 35.453 > 13 75 Cl 0.00829995523715 0.26282582657389 0.91226840248415 35.453 > 14 76 Cl 0.50829995523715 0.26282582657389 0.91226840248415 35.453 > 14 77 Cl 0.24170004476285 0.26282582657389 0.58773159751585 35.453 > 15 78 Cl 0.74170004476285 0.26282582657389 0.58773159751585 35.453 > 15 79 Cl 0.13329995523715 0.48717417342611 0.66226840248415 35.453 > 16 80 Cl 0.63329995523715 0.48717417342611 0.66226840248415 35.453 > 16 81 Cl 0.39029381855918 0.00000000000000 0.50000000000000 35.453 > 5 82 Cl 0.89029381855918 0.00000000000000 0.50000000000000 35.453 > 5 83 Cl 0.13329995523715 0.01282582657389 0.83773159751585 35.453 > 6 84 Cl 0.63329995523715 0.01282582657389 0.83773159751585 35.453 > 6 85 Cl 0.24170004476285 0.23717417342611 0.91226840248415 35.453 > 7 86 Cl 0.74170004476285 0.23717417342611 0.91226840248415 35.453 > 7 87 Cl 0.36670004476285 0.98717417342611 0.83773159751585 35.453 > 8 88 Cl 0.86670004476285 0.98717417342611 0.83773159751585 35.453 > 8 89 Cl 0.00829995523715 0.23717417342611 0.58773159751585 35.453 > 9 90 Cl 0.50829995523715 0.23717417342611 0.58773159751585 35.453 > 9 91 Cl 0.10970618144082 0.00000000000000 0.50000000000000 35.453 > 10 92 Cl 0.60970618144082 0.00000000000000 0.50000000000000 35.453 > 10 93 Cl 0.23470618144082 0.25000000000000 0.75000000000000 35.453 > 11 94 Cl 0.73470618144082 0.25000000000000 0.75000000000000 35.453 > 11 95 Cl 0.01529381855918 0.25000000000000 0.75000000000000 35.453 > 12 96 Cl 0.51529381855918 0.25000000000000 0.75000000000000 35.453 > 12 97 Cl 0.11670004476285 0.01282582657389 0.66226840248415 35.453 > 13 98 Cl 0.61670004476285 0.01282582657389 0.66226840248415 35.453 > 13 99 Cl 0.25829995523715 0.76282582657389 0.91226840248415 35.453 > 14 100 Cl 0.75829995523715 0.76282582657389 0.91226840248415 35.453 > 14 101 Cl 0.49170004476285 0.76282582657389 0.58773159751585 35.453 > 15 102 Cl 0.99170004476285 0.76282582657389 0.58773159751585 35.453 > 15 103 Cl 0.38329995523715 0.98717417342611 0.66226840248415 35.453 > 16 104 Cl 0.88329995523715 0.98717417342611 0.66226840248415 35.453 > 16 105 Cl 0.39029381855918 0.50000000000000 0.00000000000000 35.453 > 5 106 Cl 0.89029381855918 0.50000000000000 0.00000000000000 35.453 > 5 107 Cl 0.13329995523715 0.51282582657389 0.33773159751585 35.453 > 6 108 Cl 0.63329995523715 0.51282582657389 0.33773159751585 35.453 > 6 109 Cl 0.24170004476285 0.73717417342611 0.41226840248415 35.453 > 7 110 Cl 0.74170004476285 0.73717417342611 0.41226840248415 35.453 > 7 111 Cl 0.36670004476285 0.48717417342611 0.33773159751585 35.453 > 8 112 Cl 0.86670004476285 0.48717417342611 0.33773159751585 35.453 > 8 113 Cl 0.00829995523715 0.73717417342611 0.08773159751585 35.453 > 9 114 Cl 0.50829995523715 0.73717417342611 0.08773159751585 35.453 > 9 115 Cl 0.10970618144082 0.50000000000000 0.00000000000000 35.453 > 10 116 Cl 0.60970618144082 0.50000000000000 0.00000000000000 35.453 > 10 117 Cl 0.23470618144082 0.75000000000000 0.25000000000000 35.453 > 11 118 Cl 0.73470618144082 0.75000000000000 0.25000000000000 35.453 > 11 119 Cl 0.01529381855918 0.75000000000000 0.25000000000000 35.453 > 12 120 Cl 0.51529381855918 0.75000000000000 0.25000000000000 35.453 > 12 121 Cl 0.11670004476285 0.51282582657389 0.16226840248415 35.453 > 13 122 Cl 0.61670004476285 0.51282582657389 0.16226840248415 35.453 > 13 123 Cl 0.25829995523715 0.26282582657389 0.41226840248415 35.453 > 14 124 Cl 0.75829995523715 0.26282582657389 0.41226840248415 35.453 > 14 125 Cl 0.49170004476285 0.26282582657389 0.08773159751585 35.453 > 15 126 Cl 0.99170004476285 0.26282582657389 0.08773159751585 35.453 > 15 127 Cl 0.38329995523715 0.48717417342611 0.16226840248415 35.453 > 16 128 Cl 0.88329995523715 0.48717417342611 0.16226840248415 35.453 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2334440 0.0000000 0.0000000 0.0000000 4.9793310 0.0000000 0.0000000 0.0000000 5.8020017 -------------------------- Born effective charges -------------------------- 1 Ir 0.9202498 0.4795213 0.0000000 0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 2 Ir 0.9202498 0.4795213 0.0000000 0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 3 Ir 0.9202498 -0.4795213 0.0000000 -0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 4 Ir 0.9202498 -0.4795213 0.0000000 -0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 5 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 -0.3191972 0.0000000 -0.0525202 -0.9364575 6 Cl -0.1512676 0.2839587 -0.3518833 0.1512136 -0.7397391 0.1616189 -0.5730920 -0.0233765 -0.3006036 7 Cl -0.1512676 0.2839587 -0.3518833 0.1512136 -0.7397391 0.1616189 -0.5730920 -0.0233765 -0.3006036 8 Cl -0.1512676 0.2839587 0.3518833 0.1512136 -0.7397391 -0.1616189 0.5730920 0.0233765 -0.3006036 9 Cl -0.1512676 -0.2839587 -0.3518833 -0.1512136 -0.7397391 -0.1616189 -0.5730920 0.0233765 -0.3006036 10 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 0.3191972 0.0000000 0.0525202 -0.9364575 11 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 -0.3191972 0.0000000 -0.0525202 -0.9364575 12 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 0.3191972 0.0000000 0.0525202 -0.9364575 13 Cl -0.1512676 -0.2839587 -0.3518833 -0.1512136 -0.7397391 -0.1616189 -0.5730920 0.0233765 -0.3006036 14 Cl -0.1512676 0.2839587 0.3518833 0.1512136 -0.7397391 -0.1616189 0.5730920 0.0233765 -0.3006036 15 Cl -0.1512676 -0.2839587 0.3518833 -0.1512136 -0.7397391 0.1616189 0.5730920 -0.0233765 -0.3006036 16 Cl -0.1512676 -0.2839587 0.3518833 -0.1512136 -0.7397391 0.1616189 0.5730920 -0.0233765 -0.3006036 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 13584/13584 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1254 Number of blocks in projector: 1254 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 166 Use standard eigh solver. Tree of FC basis block matrices: - (1254, 1235), data: False |-- (166, 163), data: True |-- (166, 163), data: True |-- (166, 163), data: True |-- (244, 242), data: True |-- (252, 248), data: True |-- (260, 256), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 240 - Time: 1.773 Solver_block: 200 / 240 - Time: 1.823 Solver_block: 240 / 240 - Time: 0.798 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.423 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 13584/13584 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1254 Number of blocks in projector: 1254 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: 260 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 252 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 244 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 166 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 166 Use standard eigh solver. Tree of FC basis block matrices: - (1254, 1235), data: False |-- (166, 163), data: True |-- (166, 163), data: True |-- (166, 163), data: True |-- (244, 242), data: True |-- (252, 248), data: True |-- (260, 256), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 17:57:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:57:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.923867834999999 10.432966824999998 b 3.558039795000000 0.000000000000000 10.432966824999998 c 3.558039795000000 4.923867834999999 0.000000000000000 Atomic positions (fractional): 1 Ir 0.58348843780385 0.58348843780385 0.41651156219615 192.217 2 Ir 0.66651156219615 0.66651156219615 0.83348843780385 192.217 3 Ir 0.83348843780385 0.83348843780385 0.66651156219615 192.217 4 Ir 0.41651156219615 0.41651156219615 0.58348843780385 192.217 5 Cl 0.71941236288163 0.28058763711837 0.28058763711837 35.453 6 Cl 0.58395751361544 0.09150568141626 0.44169413953235 35.453 7 Cl 0.66604248638456 0.15849431858374 0.80830586046765 35.453 8 Cl 0.09150568141626 0.58395751361544 0.88284266543595 35.453 9 Cl 0.80830586046765 0.36715733456405 0.66604248638456 35.453 10 Cl 0.28058763711837 0.71941236288163 0.71941236288163 35.453 11 Cl 0.53058763711837 0.96941236288163 0.96941236288163 35.453 12 Cl 0.96941236288163 0.53058763711837 0.53058763711837 35.453 13 Cl 0.44169413953235 0.88284266543595 0.58395751361544 35.453 14 Cl 0.15849431858374 0.66604248638456 0.36715733456405 35.453 15 Cl 0.36715733456405 0.80830586046765 0.15849431858374 35.453 16 Cl 0.88284266543595 0.44169413953235 0.09150568141626 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.232159180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.847735669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 20.865933649999995 Atomic positions (fractional): 1 Ir 0.25000000000000 0.00000000000000 0.08348843780385 192.217 > 1 2 Ir 0.75000000000000 0.00000000000000 0.08348843780385 192.217 > 1 3 Ir 0.37500000000000 0.25000000000000 0.16651156219615 192.217 > 3 4 Ir 0.87500000000000 0.25000000000000 0.16651156219615 192.217 > 3 5 Ir 0.37500000000000 0.25000000000000 0.33348843780385 192.217 > 5 6 Ir 0.87500000000000 0.25000000000000 0.33348843780385 192.217 > 5 7 Ir 0.00000000000000 0.00000000000000 0.41651156219615 192.217 > 7 8 Ir 0.50000000000000 0.00000000000000 0.41651156219615 192.217 > 7 9 Ir 0.25000000000000 0.50000000000000 0.58348843780385 192.217 > 1 10 Ir 0.75000000000000 0.50000000000000 0.58348843780385 192.217 > 1 11 Ir 0.37500000000000 0.75000000000000 0.66651156219615 192.217 > 3 12 Ir 0.87500000000000 0.75000000000000 0.66651156219615 192.217 > 3 13 Ir 0.37500000000000 0.75000000000000 0.83348843780385 192.217 > 5 14 Ir 0.87500000000000 0.75000000000000 0.83348843780385 192.217 > 5 15 Ir 0.00000000000000 0.50000000000000 0.91651156219615 192.217 > 7 16 Ir 0.50000000000000 0.50000000000000 0.91651156219615 192.217 > 7 17 Ir 0.00000000000000 0.00000000000000 0.58348843780385 192.217 > 1 18 Ir 0.50000000000000 0.00000000000000 0.58348843780385 192.217 > 1 19 Ir 0.12500000000000 0.25000000000000 0.66651156219615 192.217 > 3 20 Ir 0.62500000000000 0.25000000000000 0.66651156219615 192.217 > 3 21 Ir 0.12500000000000 0.25000000000000 0.83348843780385 192.217 > 5 22 Ir 0.62500000000000 0.25000000000000 0.83348843780385 192.217 > 5 23 Ir 0.25000000000000 0.00000000000000 0.91651156219615 192.217 > 7 24 Ir 0.75000000000000 0.00000000000000 0.91651156219615 192.217 > 7 25 Ir 0.00000000000000 0.50000000000000 0.08348843780385 192.217 > 1 26 Ir 0.50000000000000 0.50000000000000 0.08348843780385 192.217 > 1 27 Ir 0.12500000000000 0.75000000000000 0.16651156219615 192.217 > 3 28 Ir 0.62500000000000 0.75000000000000 0.16651156219615 192.217 > 3 29 Ir 0.12500000000000 0.75000000000000 0.33348843780385 192.217 > 5 30 Ir 0.62500000000000 0.75000000000000 0.33348843780385 192.217 > 5 31 Ir 0.25000000000000 0.50000000000000 0.41651156219615 192.217 > 7 32 Ir 0.75000000000000 0.50000000000000 0.41651156219615 192.217 > 7 33 Cl 0.14029381855918 0.00000000000000 0.00000000000000 35.453 > 33 34 Cl 0.64029381855918 0.00000000000000 0.00000000000000 35.453 > 33 35 Cl 0.38329995523715 0.01282582657389 0.33773159751585 35.453 > 35 36 Cl 0.88329995523715 0.01282582657389 0.33773159751585 35.453 > 35 37 Cl 0.49170004476285 0.23717417342611 0.41226840248415 35.453 > 37 38 Cl 0.99170004476285 0.23717417342611 0.41226840248415 35.453 > 37 39 Cl 0.11670004476285 0.98717417342611 0.33773159751585 35.453 > 39 40 Cl 0.61670004476285 0.98717417342611 0.33773159751585 35.453 > 39 41 Cl 0.25829995523715 0.23717417342611 0.08773159751585 35.453 > 41 42 Cl 0.75829995523715 0.23717417342611 0.08773159751585 35.453 > 41 43 Cl 0.35970618144082 0.00000000000000 0.00000000000000 35.453 > 43 44 Cl 0.85970618144082 0.00000000000000 0.00000000000000 35.453 > 43 45 Cl 0.48470618144082 0.25000000000000 0.25000000000000 35.453 > 45 46 Cl 0.98470618144082 0.25000000000000 0.25000000000000 35.453 > 45 47 Cl 0.26529381855918 0.25000000000000 0.25000000000000 35.453 > 47 48 Cl 0.76529381855918 0.25000000000000 0.25000000000000 35.453 > 47 49 Cl 0.36670004476285 0.01282582657389 0.16226840248415 35.453 > 49 50 Cl 0.86670004476285 0.01282582657389 0.16226840248415 35.453 > 49 51 Cl 0.00829995523715 0.76282582657389 0.41226840248415 35.453 > 51 52 Cl 0.50829995523715 0.76282582657389 0.41226840248415 35.453 > 51 53 Cl 0.24170004476285 0.76282582657389 0.08773159751585 35.453 > 53 54 Cl 0.74170004476285 0.76282582657389 0.08773159751585 35.453 > 53 55 Cl 0.13329995523715 0.98717417342611 0.16226840248415 35.453 > 55 56 Cl 0.63329995523715 0.98717417342611 0.16226840248415 35.453 > 55 57 Cl 0.14029381855918 0.50000000000000 0.50000000000000 35.453 > 33 58 Cl 0.64029381855918 0.50000000000000 0.50000000000000 35.453 > 33 59 Cl 0.38329995523715 0.51282582657389 0.83773159751585 35.453 > 35 60 Cl 0.88329995523715 0.51282582657389 0.83773159751585 35.453 > 35 61 Cl 0.49170004476285 0.73717417342611 0.91226840248415 35.453 > 37 62 Cl 0.99170004476285 0.73717417342611 0.91226840248415 35.453 > 37 63 Cl 0.11670004476285 0.48717417342611 0.83773159751585 35.453 > 39 64 Cl 0.61670004476285 0.48717417342611 0.83773159751585 35.453 > 39 65 Cl 0.25829995523715 0.73717417342611 0.58773159751585 35.453 > 41 66 Cl 0.75829995523715 0.73717417342611 0.58773159751585 35.453 > 41 67 Cl 0.35970618144082 0.50000000000000 0.50000000000000 35.453 > 43 68 Cl 0.85970618144082 0.50000000000000 0.50000000000000 35.453 > 43 69 Cl 0.48470618144082 0.75000000000000 0.75000000000000 35.453 > 45 70 Cl 0.98470618144082 0.75000000000000 0.75000000000000 35.453 > 45 71 Cl 0.26529381855918 0.75000000000000 0.75000000000000 35.453 > 47 72 Cl 0.76529381855918 0.75000000000000 0.75000000000000 35.453 > 47 73 Cl 0.36670004476285 0.51282582657389 0.66226840248415 35.453 > 49 74 Cl 0.86670004476285 0.51282582657389 0.66226840248415 35.453 > 49 75 Cl 0.00829995523715 0.26282582657389 0.91226840248415 35.453 > 51 76 Cl 0.50829995523715 0.26282582657389 0.91226840248415 35.453 > 51 77 Cl 0.24170004476285 0.26282582657389 0.58773159751585 35.453 > 53 78 Cl 0.74170004476285 0.26282582657389 0.58773159751585 35.453 > 53 79 Cl 0.13329995523715 0.48717417342611 0.66226840248415 35.453 > 55 80 Cl 0.63329995523715 0.48717417342611 0.66226840248415 35.453 > 55 81 Cl 0.39029381855918 0.00000000000000 0.50000000000000 35.453 > 33 82 Cl 0.89029381855918 0.00000000000000 0.50000000000000 35.453 > 33 83 Cl 0.13329995523715 0.01282582657389 0.83773159751585 35.453 > 35 84 Cl 0.63329995523715 0.01282582657389 0.83773159751585 35.453 > 35 85 Cl 0.24170004476285 0.23717417342611 0.91226840248415 35.453 > 37 86 Cl 0.74170004476285 0.23717417342611 0.91226840248415 35.453 > 37 87 Cl 0.36670004476285 0.98717417342611 0.83773159751585 35.453 > 39 88 Cl 0.86670004476285 0.98717417342611 0.83773159751585 35.453 > 39 89 Cl 0.00829995523715 0.23717417342611 0.58773159751585 35.453 > 41 90 Cl 0.50829995523715 0.23717417342611 0.58773159751585 35.453 > 41 91 Cl 0.10970618144082 0.00000000000000 0.50000000000000 35.453 > 43 92 Cl 0.60970618144082 0.00000000000000 0.50000000000000 35.453 > 43 93 Cl 0.23470618144082 0.25000000000000 0.75000000000000 35.453 > 45 94 Cl 0.73470618144082 0.25000000000000 0.75000000000000 35.453 > 45 95 Cl 0.01529381855918 0.25000000000000 0.75000000000000 35.453 > 47 96 Cl 0.51529381855918 0.25000000000000 0.75000000000000 35.453 > 47 97 Cl 0.11670004476285 0.01282582657389 0.66226840248415 35.453 > 49 98 Cl 0.61670004476285 0.01282582657389 0.66226840248415 35.453 > 49 99 Cl 0.25829995523715 0.76282582657389 0.91226840248415 35.453 > 51 100 Cl 0.75829995523715 0.76282582657389 0.91226840248415 35.453 > 51 101 Cl 0.49170004476285 0.76282582657389 0.58773159751585 35.453 > 53 102 Cl 0.99170004476285 0.76282582657389 0.58773159751585 35.453 > 53 103 Cl 0.38329995523715 0.98717417342611 0.66226840248415 35.453 > 55 104 Cl 0.88329995523715 0.98717417342611 0.66226840248415 35.453 > 55 105 Cl 0.39029381855918 0.50000000000000 0.00000000000000 35.453 > 33 106 Cl 0.89029381855918 0.50000000000000 0.00000000000000 35.453 > 33 107 Cl 0.13329995523715 0.51282582657389 0.33773159751585 35.453 > 35 108 Cl 0.63329995523715 0.51282582657389 0.33773159751585 35.453 > 35 109 Cl 0.24170004476285 0.73717417342611 0.41226840248415 35.453 > 37 110 Cl 0.74170004476285 0.73717417342611 0.41226840248415 35.453 > 37 111 Cl 0.36670004476285 0.48717417342611 0.33773159751585 35.453 > 39 112 Cl 0.86670004476285 0.48717417342611 0.33773159751585 35.453 > 39 113 Cl 0.00829995523715 0.73717417342611 0.08773159751585 35.453 > 41 114 Cl 0.50829995523715 0.73717417342611 0.08773159751585 35.453 > 41 115 Cl 0.10970618144082 0.50000000000000 0.00000000000000 35.453 > 43 116 Cl 0.60970618144082 0.50000000000000 0.00000000000000 35.453 > 43 117 Cl 0.23470618144082 0.75000000000000 0.25000000000000 35.453 > 45 118 Cl 0.73470618144082 0.75000000000000 0.25000000000000 35.453 > 45 119 Cl 0.01529381855918 0.75000000000000 0.25000000000000 35.453 > 47 120 Cl 0.51529381855918 0.75000000000000 0.25000000000000 35.453 > 47 121 Cl 0.11670004476285 0.51282582657389 0.16226840248415 35.453 > 49 122 Cl 0.61670004476285 0.51282582657389 0.16226840248415 35.453 > 49 123 Cl 0.25829995523715 0.26282582657389 0.41226840248415 35.453 > 51 124 Cl 0.75829995523715 0.26282582657389 0.41226840248415 35.453 > 51 125 Cl 0.49170004476285 0.26282582657389 0.08773159751585 35.453 > 53 126 Cl 0.99170004476285 0.26282582657389 0.08773159751585 35.453 > 53 127 Cl 0.38329995523715 0.48717417342611 0.16226840248415 35.453 > 55 128 Cl 0.88329995523715 0.48717417342611 0.16226840248415 35.453 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.2334440 0.0000000 0.0000000 0.0000000 4.9793310 0.0000000 0.0000000 0.0000000 5.8020017 -------------------------- Born effective charges -------------------------- 1 Ir 0.9202498 0.4795213 0.0000000 0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 2 Ir 0.9202498 0.4795213 0.0000000 0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 3 Ir 0.9202498 -0.4795213 0.0000000 -0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 4 Ir 0.9202498 -0.4795213 0.0000000 -0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 5 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 -0.3191972 0.0000000 -0.0525202 -0.9364575 6 Cl -0.1512676 0.2839587 -0.3518833 0.1512136 -0.7397391 0.1616189 -0.5730920 -0.0233765 -0.3006036 7 Cl -0.1512676 0.2839587 -0.3518833 0.1512136 -0.7397391 0.1616189 -0.5730920 -0.0233765 -0.3006036 8 Cl -0.1512676 0.2839587 0.3518833 0.1512136 -0.7397391 -0.1616189 0.5730920 0.0233765 -0.3006036 9 Cl -0.1512676 -0.2839587 -0.3518833 -0.1512136 -0.7397391 -0.1616189 -0.5730920 0.0233765 -0.3006036 10 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 0.3191972 0.0000000 0.0525202 -0.9364575 11 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 -0.3191972 0.0000000 -0.0525202 -0.9364575 12 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 0.3191972 0.0000000 0.0525202 -0.9364575 13 Cl -0.1512676 -0.2839587 -0.3518833 -0.1512136 -0.7397391 -0.1616189 -0.5730920 0.0233765 -0.3006036 14 Cl -0.1512676 0.2839587 0.3518833 0.1512136 -0.7397391 -0.1616189 0.5730920 0.0233765 -0.3006036 15 Cl -0.1512676 -0.2839587 0.3518833 -0.1512136 -0.7397391 0.1616189 0.5730920 -0.0233765 -0.3006036 16 Cl -0.1512676 -0.2839587 0.3518833 -0.1512136 -0.7397391 0.1616189 0.5730920 -0.0233765 -0.3006036 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:58:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 17:58:07]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ] Spacegroup: Fddd (70) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 0.000000000000000 4.923867834999999 10.432966824999998 b 3.558039795000000 0.000000000000000 10.432966824999998 c 3.558039795000000 4.923867834999999 0.000000000000000 Atomic positions (fractional): 1 Ir 0.58348843780385 0.58348843780385 0.41651156219615 192.217 2 Ir 0.66651156219615 0.66651156219615 0.83348843780385 192.217 3 Ir 0.83348843780385 0.83348843780385 0.66651156219615 192.217 4 Ir 0.41651156219615 0.41651156219615 0.58348843780385 192.217 5 Cl 0.71941236288163 0.28058763711837 0.28058763711837 35.453 6 Cl 0.58395751361544 0.09150568141626 0.44169413953235 35.453 7 Cl 0.66604248638456 0.15849431858374 0.80830586046765 35.453 8 Cl 0.09150568141626 0.58395751361544 0.88284266543595 35.453 9 Cl 0.80830586046765 0.36715733456405 0.66604248638456 35.453 10 Cl 0.28058763711837 0.71941236288163 0.71941236288163 35.453 11 Cl 0.53058763711837 0.96941236288163 0.96941236288163 35.453 12 Cl 0.96941236288163 0.53058763711837 0.53058763711837 35.453 13 Cl 0.44169413953235 0.88284266543595 0.58395751361544 35.453 14 Cl 0.15849431858374 0.66604248638456 0.36715733456405 35.453 15 Cl 0.36715733456405 0.80830586046765 0.15849431858374 35.453 16 Cl 0.88284266543595 0.44169413953235 0.09150568141626 35.453 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.232159180000000 0.000000000000000 0.000000000000000 b 0.000000000000000 9.847735669999999 0.000000000000000 c 0.000000000000000 0.000000000000000 20.865933649999995 Atomic positions (fractional): 1 Ir 0.25000000000000 0.00000000000000 0.08348843780385 192.217 > 1 2 Ir 0.75000000000000 0.00000000000000 0.08348843780385 192.217 > 1 3 Ir 0.37500000000000 0.25000000000000 0.16651156219615 192.217 > 3 4 Ir 0.87500000000000 0.25000000000000 0.16651156219615 192.217 > 3 5 Ir 0.37500000000000 0.25000000000000 0.33348843780385 192.217 > 5 6 Ir 0.87500000000000 0.25000000000000 0.33348843780385 192.217 > 5 7 Ir 0.00000000000000 0.00000000000000 0.41651156219615 192.217 > 7 8 Ir 0.50000000000000 0.00000000000000 0.41651156219615 192.217 > 7 9 Ir 0.25000000000000 0.50000000000000 0.58348843780385 192.217 > 1 10 Ir 0.75000000000000 0.50000000000000 0.58348843780385 192.217 > 1 11 Ir 0.37500000000000 0.75000000000000 0.66651156219615 192.217 > 3 12 Ir 0.87500000000000 0.75000000000000 0.66651156219615 192.217 > 3 13 Ir 0.37500000000000 0.75000000000000 0.83348843780385 192.217 > 5 14 Ir 0.87500000000000 0.75000000000000 0.83348843780385 192.217 > 5 15 Ir 0.00000000000000 0.50000000000000 0.91651156219615 192.217 > 7 16 Ir 0.50000000000000 0.50000000000000 0.91651156219615 192.217 > 7 17 Ir 0.00000000000000 0.00000000000000 0.58348843780385 192.217 > 1 18 Ir 0.50000000000000 0.00000000000000 0.58348843780385 192.217 > 1 19 Ir 0.12500000000000 0.25000000000000 0.66651156219615 192.217 > 3 20 Ir 0.62500000000000 0.25000000000000 0.66651156219615 192.217 > 3 21 Ir 0.12500000000000 0.25000000000000 0.83348843780385 192.217 > 5 22 Ir 0.62500000000000 0.25000000000000 0.83348843780385 192.217 > 5 23 Ir 0.25000000000000 0.00000000000000 0.91651156219615 192.217 > 7 24 Ir 0.75000000000000 0.00000000000000 0.91651156219615 192.217 > 7 25 Ir 0.00000000000000 0.50000000000000 0.08348843780385 192.217 > 1 26 Ir 0.50000000000000 0.50000000000000 0.08348843780385 192.217 > 1 27 Ir 0.12500000000000 0.75000000000000 0.16651156219615 192.217 > 3 28 Ir 0.62500000000000 0.75000000000000 0.16651156219615 192.217 > 3 29 Ir 0.12500000000000 0.75000000000000 0.33348843780385 192.217 > 5 30 Ir 0.62500000000000 0.75000000000000 0.33348843780385 192.217 > 5 31 Ir 0.25000000000000 0.50000000000000 0.41651156219615 192.217 > 7 32 Ir 0.75000000000000 0.50000000000000 0.41651156219615 192.217 > 7 33 Cl 0.14029381855918 0.00000000000000 0.00000000000000 35.453 > 33 34 Cl 0.64029381855918 0.00000000000000 0.00000000000000 35.453 > 33 35 Cl 0.38329995523715 0.01282582657389 0.33773159751585 35.453 > 35 36 Cl 0.88329995523715 0.01282582657389 0.33773159751585 35.453 > 35 37 Cl 0.49170004476285 0.23717417342611 0.41226840248415 35.453 > 37 38 Cl 0.99170004476285 0.23717417342611 0.41226840248415 35.453 > 37 39 Cl 0.11670004476285 0.98717417342611 0.33773159751585 35.453 > 39 40 Cl 0.61670004476285 0.98717417342611 0.33773159751585 35.453 > 39 41 Cl 0.25829995523715 0.23717417342611 0.08773159751585 35.453 > 41 42 Cl 0.75829995523715 0.23717417342611 0.08773159751585 35.453 > 41 43 Cl 0.35970618144082 0.00000000000000 0.00000000000000 35.453 > 43 44 Cl 0.85970618144082 0.00000000000000 0.00000000000000 35.453 > 43 45 Cl 0.48470618144082 0.25000000000000 0.25000000000000 35.453 > 45 46 Cl 0.98470618144082 0.25000000000000 0.25000000000000 35.453 > 45 47 Cl 0.26529381855918 0.25000000000000 0.25000000000000 35.453 > 47 48 Cl 0.76529381855918 0.25000000000000 0.25000000000000 35.453 > 47 49 Cl 0.36670004476285 0.01282582657389 0.16226840248415 35.453 > 49 50 Cl 0.86670004476285 0.01282582657389 0.16226840248415 35.453 > 49 51 Cl 0.00829995523715 0.76282582657389 0.41226840248415 35.453 > 51 52 Cl 0.50829995523715 0.76282582657389 0.41226840248415 35.453 > 51 53 Cl 0.24170004476285 0.76282582657389 0.08773159751585 35.453 > 53 54 Cl 0.74170004476285 0.76282582657389 0.08773159751585 35.453 > 53 55 Cl 0.13329995523715 0.98717417342611 0.16226840248415 35.453 > 55 56 Cl 0.63329995523715 0.98717417342611 0.16226840248415 35.453 > 55 57 Cl 0.14029381855918 0.50000000000000 0.50000000000000 35.453 > 33 58 Cl 0.64029381855918 0.50000000000000 0.50000000000000 35.453 > 33 59 Cl 0.38329995523715 0.51282582657389 0.83773159751585 35.453 > 35 60 Cl 0.88329995523715 0.51282582657389 0.83773159751585 35.453 > 35 61 Cl 0.49170004476285 0.73717417342611 0.91226840248415 35.453 > 37 62 Cl 0.99170004476285 0.73717417342611 0.91226840248415 35.453 > 37 63 Cl 0.11670004476285 0.48717417342611 0.83773159751585 35.453 > 39 64 Cl 0.61670004476285 0.48717417342611 0.83773159751585 35.453 > 39 65 Cl 0.25829995523715 0.73717417342611 0.58773159751585 35.453 > 41 66 Cl 0.75829995523715 0.73717417342611 0.58773159751585 35.453 > 41 67 Cl 0.35970618144082 0.50000000000000 0.50000000000000 35.453 > 43 68 Cl 0.85970618144082 0.50000000000000 0.50000000000000 35.453 > 43 69 Cl 0.48470618144082 0.75000000000000 0.75000000000000 35.453 > 45 70 Cl 0.98470618144082 0.75000000000000 0.75000000000000 35.453 > 45 71 Cl 0.26529381855918 0.75000000000000 0.75000000000000 35.453 > 47 72 Cl 0.76529381855918 0.75000000000000 0.75000000000000 35.453 > 47 73 Cl 0.36670004476285 0.51282582657389 0.66226840248415 35.453 > 49 74 Cl 0.86670004476285 0.51282582657389 0.66226840248415 35.453 > 49 75 Cl 0.00829995523715 0.26282582657389 0.91226840248415 35.453 > 51 76 Cl 0.50829995523715 0.26282582657389 0.91226840248415 35.453 > 51 77 Cl 0.24170004476285 0.26282582657389 0.58773159751585 35.453 > 53 78 Cl 0.74170004476285 0.26282582657389 0.58773159751585 35.453 > 53 79 Cl 0.13329995523715 0.48717417342611 0.66226840248415 35.453 > 55 80 Cl 0.63329995523715 0.48717417342611 0.66226840248415 35.453 > 55 81 Cl 0.39029381855918 0.00000000000000 0.50000000000000 35.453 > 33 82 Cl 0.89029381855918 0.00000000000000 0.50000000000000 35.453 > 33 83 Cl 0.13329995523715 0.01282582657389 0.83773159751585 35.453 > 35 84 Cl 0.63329995523715 0.01282582657389 0.83773159751585 35.453 > 35 85 Cl 0.24170004476285 0.23717417342611 0.91226840248415 35.453 > 37 86 Cl 0.74170004476285 0.23717417342611 0.91226840248415 35.453 > 37 87 Cl 0.36670004476285 0.98717417342611 0.83773159751585 35.453 > 39 88 Cl 0.86670004476285 0.98717417342611 0.83773159751585 35.453 > 39 89 Cl 0.00829995523715 0.23717417342611 0.58773159751585 35.453 > 41 90 Cl 0.50829995523715 0.23717417342611 0.58773159751585 35.453 > 41 91 Cl 0.10970618144082 0.00000000000000 0.50000000000000 35.453 > 43 92 Cl 0.60970618144082 0.00000000000000 0.50000000000000 35.453 > 43 93 Cl 0.23470618144082 0.25000000000000 0.75000000000000 35.453 > 45 94 Cl 0.73470618144082 0.25000000000000 0.75000000000000 35.453 > 45 95 Cl 0.01529381855918 0.25000000000000 0.75000000000000 35.453 > 47 96 Cl 0.51529381855918 0.25000000000000 0.75000000000000 35.453 > 47 97 Cl 0.11670004476285 0.01282582657389 0.66226840248415 35.453 > 49 98 Cl 0.61670004476285 0.01282582657389 0.66226840248415 35.453 > 49 99 Cl 0.25829995523715 0.76282582657389 0.91226840248415 35.453 > 51 100 Cl 0.75829995523715 0.76282582657389 0.91226840248415 35.453 > 51 101 Cl 0.49170004476285 0.76282582657389 0.58773159751585 35.453 > 53 102 Cl 0.99170004476285 0.76282582657389 0.58773159751585 35.453 > 53 103 Cl 0.38329995523715 0.98717417342611 0.66226840248415 35.453 > 55 104 Cl 0.88329995523715 0.98717417342611 0.66226840248415 35.453 > 55 105 Cl 0.39029381855918 0.50000000000000 0.00000000000000 35.453 > 33 106 Cl 0.89029381855918 0.50000000000000 0.00000000000000 35.453 > 33 107 Cl 0.13329995523715 0.51282582657389 0.33773159751585 35.453 > 35 108 Cl 0.63329995523715 0.51282582657389 0.33773159751585 35.453 > 35 109 Cl 0.24170004476285 0.73717417342611 0.41226840248415 35.453 > 37 110 Cl 0.74170004476285 0.73717417342611 0.41226840248415 35.453 > 37 111 Cl 0.36670004476285 0.48717417342611 0.33773159751585 35.453 > 39 112 Cl 0.86670004476285 0.48717417342611 0.33773159751585 35.453 > 39 113 Cl 0.00829995523715 0.73717417342611 0.08773159751585 35.453 > 41 114 Cl 0.50829995523715 0.73717417342611 0.08773159751585 35.453 > 41 115 Cl 0.10970618144082 0.50000000000000 0.00000000000000 35.453 > 43 116 Cl 0.60970618144082 0.50000000000000 0.00000000000000 35.453 > 43 117 Cl 0.23470618144082 0.75000000000000 0.25000000000000 35.453 > 45 118 Cl 0.73470618144082 0.75000000000000 0.25000000000000 35.453 > 45 119 Cl 0.01529381855918 0.75000000000000 0.25000000000000 35.453 > 47 120 Cl 0.51529381855918 0.75000000000000 0.25000000000000 35.453 > 47 121 Cl 0.11670004476285 0.51282582657389 0.16226840248415 35.453 > 49 122 Cl 0.61670004476285 0.51282582657389 0.16226840248415 35.453 > 49 123 Cl 0.25829995523715 0.26282582657389 0.41226840248415 35.453 > 51 124 Cl 0.75829995523715 0.26282582657389 0.41226840248415 35.453 > 51 125 Cl 0.49170004476285 0.26282582657389 0.08773159751585 35.453 > 53 126 Cl 0.99170004476285 0.26282582657389 0.08773159751585 35.453 > 53 127 Cl 0.38329995523715 0.48717417342611 0.16226840248415 35.453 > 55 128 Cl 0.88329995523715 0.48717417342611 0.16226840248415 35.453 > 55 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.2334440 0.0000000 0.0000000 0.0000000 4.9793310 0.0000000 0.0000000 0.0000000 5.8020017 -------------------------- Born effective charges -------------------------- 1 Ir 0.9202498 0.4795213 0.0000000 0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 2 Ir 0.9202498 0.4795213 0.0000000 0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 3 Ir 0.9202498 -0.4795213 0.0000000 -0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 4 Ir 0.9202498 -0.4795213 0.0000000 -0.5072227 1.2323675 0.0000000 0.0000000 -0.0000000 1.5376647 5 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 -0.3191972 0.0000000 -0.0525202 -0.9364575 6 Cl -0.1512676 0.2839587 -0.3518833 0.1512136 -0.7397391 0.1616189 -0.5730920 -0.0233765 -0.3006036 7 Cl -0.1512676 0.2839587 -0.3518833 0.1512136 -0.7397391 0.1616189 -0.5730920 -0.0233765 -0.3006036 8 Cl -0.1512676 0.2839587 0.3518833 0.1512136 -0.7397391 -0.1616189 0.5730920 0.0233765 -0.3006036 9 Cl -0.1512676 -0.2839587 -0.3518833 -0.1512136 -0.7397391 -0.1616189 -0.5730920 0.0233765 -0.3006036 10 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 0.3191972 0.0000000 0.0525202 -0.9364575 11 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 -0.3191972 0.0000000 -0.0525202 -0.9364575 12 Cl -0.6177147 -0.0000000 0.0000000 -0.0000000 0.2471106 0.3191972 0.0000000 0.0525202 -0.9364575 13 Cl -0.1512676 -0.2839587 -0.3518833 -0.1512136 -0.7397391 -0.1616189 -0.5730920 0.0233765 -0.3006036 14 Cl -0.1512676 0.2839587 0.3518833 0.1512136 -0.7397391 -0.1616189 0.5730920 0.0233765 -0.3006036 15 Cl -0.1512676 -0.2839587 0.3518833 -0.1512136 -0.7397391 0.1616189 0.5730920 -0.0233765 -0.3006036 16 Cl -0.1512676 -0.2839587 0.3518833 -0.1512136 -0.7397391 0.1616189 0.5730920 -0.0233765 -0.3006036 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xzx) -0.00000001 (xzx) -0.00000001 (xxz) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- 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 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.58, Number of G-points: 313, Lambda: 0.14 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/125) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 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 1.181 ( 0.000 0.000 -0.000) 0.000 1.495 ( 0.000 0.000 0.000) 0.000 2.348 ( 0.000 0.000 0.000) 0.000 2.538 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.420 ( 0.000 0.000 0.000) 0.000 3.737 ( 0.000 0.000 0.000) 0.000 3.741 ( 0.000 0.000 -0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.796 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 0.000) 0.000 3.986 ( 0.000 0.000 0.000) 0.000 4.279 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 5.043 ( 0.000 0.000 0.000) 0.000 5.114 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.251 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.434 ( 0.000 0.000 0.000) 0.000 5.998 ( 0.000 0.000 -0.000) 0.000 8.705 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 -0.000) 0.000 8.902 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 8.976 ( 0.000 0.000 0.000) 0.000 9.038 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.197 ( 0.000 0.000 0.000) 0.000 9.237 ( 0.000 0.000 0.000) 0.000 9.254 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 -0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.498 ( 0.000 0.000 0.000) 0.000 9.570 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.615 ( 0.000 0.000 0.000) 0.000 9.677 ( 0.000 0.000 0.000) 0.000 9.885 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 -0.000) 0.000 10.094 ( 0.000 0.000 0.000) 0.000 10.196 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/125) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.163 ( -8.684 -0.704 5.338) 10.218 0.293 ( -5.904 9.658 14.575) 18.454 0.504 ( -13.265 16.844 8.852) 23.196 1.215 ( -3.274 1.847 -3.185) 4.927 1.561 ( -6.693 6.824 -5.529) 11.042 2.340 ( -0.294 -3.689 4.015) 5.460 2.538 ( 0.099 -1.190 1.506) 1.922 3.044 ( 1.149 2.000 -20.579) 20.708 3.356 ( 5.301 -8.695 17.169) 19.962 3.570 ( 8.102 -5.609 0.679) 9.878 3.745 ( 1.560 -3.459 1.238) 3.991 3.835 ( -8.106 -5.918 0.190) 10.038 3.860 ( -5.694 -0.722 0.934) 5.815 4.025 ( 0.836 11.877 1.439) 11.993 4.033 ( 0.550 7.732 0.144) 7.752 4.275 ( -0.042 -0.320 -1.145) 1.189 4.781 ( 1.516 -2.319 0.217) 2.779 4.938 ( 1.508 -5.249 -12.916) 14.023 5.055 ( 0.171 -6.399 5.221) 8.260 5.224 ( 1.009 -1.260 -2.449) 2.933 5.293 ( -1.079 11.233 0.105) 11.285 5.389 ( -1.793 1.230 4.169) 4.702 5.437 ( 1.035 1.408 2.611) 3.141 5.981 ( 0.780 -0.919 -1.165) 1.676 8.729 ( -1.383 -0.216 -0.591) 1.520 8.791 ( 0.462 -2.286 1.398) 2.719 8.839 ( 1.364 1.914 -0.239) 2.363 8.909 ( 0.750 0.597 -0.491) 1.077 8.929 ( -1.198 -0.052 0.507) 1.302 8.991 ( -0.579 -2.192 -0.252) 2.282 9.037 ( 0.459 0.563 0.120) 0.736 9.098 ( -0.236 -0.506 -0.631) 0.842 9.109 ( 0.031 -0.466 0.709) 0.849 9.212 ( -0.866 1.327 -0.290) 1.611 9.240 ( -0.210 0.218 -0.006) 0.303 9.257 ( -0.170 0.132 -0.026) 0.217 9.259 ( -0.145 0.248 0.271) 0.395 9.352 ( -0.333 0.457 -0.061) 0.569 9.367 ( -0.776 0.032 -0.203) 0.803 9.484 ( 0.679 -0.127 -2.486) 2.580 9.583 ( 0.768 1.115 0.152) 1.363 9.607 ( 1.538 -0.380 2.267) 2.765 9.642 ( -0.244 0.681 -5.436) 5.484 9.725 ( 3.648 -0.664 7.190) 8.090 9.891 ( -0.236 0.441 0.405) 0.644 10.027 ( 0.116 0.128 -0.649) 0.672 10.100 ( -0.140 0.484 0.423) 0.658 10.190 ( 0.646 0.038 -0.219) 0.683 ======================= Grid point 2 (3/125) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.303 ( -6.328 -0.388 4.721) 7.904 0.545 ( -5.113 8.177 8.888) 13.115 0.866 ( -7.148 9.165 14.257) 18.395 1.271 ( -4.350 1.924 -5.309) 7.128 1.799 ( -12.519 12.850 -14.103) 22.820 2.320 ( -0.205 -5.396 6.749) 8.643 2.512 ( 0.923 -3.463 4.337) 5.626 2.907 ( 3.065 0.144 -19.159) 19.403 3.286 ( 4.302 -5.268 13.576) 15.185 3.412 ( 4.411 -3.857 1.731) 6.110 3.695 ( 0.714 -3.605 1.984) 4.177 3.882 ( -7.426 -6.976 -0.065) 10.188 3.944 ( -5.228 -0.860 1.289) 5.453 4.101 ( 1.160 6.301 -1.093) 6.500 4.161 ( 3.419 13.351 3.727) 14.277 4.268 ( 0.779 1.692 -0.040) 1.863 4.698 ( 1.002 -6.956 -4.801) 8.511 4.796 ( 3.052 -4.326 -4.934) 7.237 5.001 ( 0.354 -6.173 2.379) 6.625 5.167 ( 1.344 -2.421 -3.109) 4.163 5.369 ( 1.059 2.978 -1.641) 3.562 5.443 ( 0.796 4.363 0.251) 4.442 5.522 ( -3.546 5.213 6.224) 8.860 5.954 ( 0.530 -0.298 -1.629) 1.738 8.749 ( -0.963 0.444 -0.449) 1.152 8.775 ( -0.250 -0.948 1.180) 1.534 8.835 ( 1.471 1.512 -0.009) 2.109 8.898 ( 0.488 -0.425 -0.635) 0.907 8.939 ( -0.656 -1.112 -0.822) 1.531 8.977 ( -0.007 -0.796 1.029) 1.301 9.038 ( 0.398 0.489 0.310) 0.703 9.091 ( 0.170 -0.395 -0.768) 0.880 9.105 ( -0.283 -1.113 0.929) 1.477 9.242 ( -0.827 1.500 -0.481) 1.779 9.248 ( -0.314 0.425 -0.106) 0.539 9.260 ( -0.296 0.049 -0.301) 0.425 9.272 ( -0.444 0.647 0.814) 1.131 9.366 ( -0.494 0.768 -0.042) 0.914 9.382 ( -1.055 0.128 -0.608) 1.224 9.455 ( 0.649 0.069 -3.114) 3.182 9.580 ( 1.517 -0.718 2.329) 2.871 9.588 ( 1.569 0.896 0.924) 2.029 9.619 ( 0.237 -0.976 -2.255) 2.469 9.690 ( 2.331 -1.851 3.210) 4.378 9.904 ( -0.299 0.553 0.574) 0.851 10.025 ( -0.134 0.549 -0.943) 1.099 10.110 ( -0.012 0.459 0.550) 0.716 10.175 ( 1.093 -0.007 -0.356) 1.150 ======================= Grid point 3 (4/125) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.392 ( -3.155 -0.736 3.026) 4.433 0.726 ( -4.014 5.287 3.307) 7.416 1.123 ( -3.654 6.975 18.275) 19.899 1.366 ( -7.034 5.396 -5.347) 10.353 1.913 ( -4.003 -1.133 -20.028) 20.456 2.213 ( 6.849 -10.746 1.273) 12.806 2.646 ( -9.146 8.476 14.591) 19.194 2.788 ( 1.708 1.065 -11.604) 11.777 3.238 ( 1.992 -0.792 2.875) 3.586 3.387 ( -0.037 1.039 3.847) 3.985 3.662 ( 0.144 -2.999 1.809) 3.506 3.897 ( -4.900 -8.519 -1.214) 9.903 4.013 ( -2.520 1.146 0.835) 2.892 4.104 ( 2.559 1.327 -2.216) 3.636 4.208 ( 2.168 2.180 -1.320) 3.346 4.326 ( 4.530 11.083 7.129) 13.935 4.568 ( -0.937 -7.727 -7.310) 10.677 4.696 ( 3.112 -3.999 2.608) 5.699 4.932 ( 0.293 -5.255 -1.553) 5.488 5.104 ( 1.117 -2.202 -2.386) 3.434 5.361 ( 1.900 1.232 0.711) 2.373 5.465 ( 0.191 1.711 -1.317) 2.168 5.670 ( -3.399 5.684 3.266) 7.385 5.942 ( 0.238 0.404 -1.282) 1.365 8.760 ( -0.671 0.291 -0.169) 0.751 8.793 ( -1.163 0.198 1.157) 1.652 8.830 ( 1.485 1.632 0.088) 2.208 8.876 ( 0.599 -1.322 -0.275) 1.477 8.924 ( -0.240 -1.229 -1.825) 2.214 8.981 ( 0.017 0.152 1.329) 1.338 9.036 ( 0.238 -0.352 0.063) 0.430 9.076 ( 0.645 -0.391 -0.023) 0.755 9.105 ( -0.564 -0.720 0.296) 0.962 9.256 ( -0.188 0.430 -0.210) 0.514 9.260 ( -0.213 0.409 -0.152) 0.485 9.266 ( -0.470 0.424 -0.507) 0.810 9.295 ( -0.591 0.866 0.811) 1.326 9.380 ( 0.199 0.582 -0.110) 0.625 9.388 ( -0.665 -0.156 -1.289) 1.458 9.448 ( -0.854 1.137 -2.061) 2.505 9.552 ( 2.215 -0.901 2.866) 3.732 9.575 ( 1.203 -0.110 -0.402) 1.273 9.601 ( 0.054 -0.392 -0.351) 0.529 9.650 ( 1.417 -2.036 1.531) 2.915 9.915 ( -0.063 0.232 0.442) 0.503 10.037 ( -0.761 1.144 -0.839) 1.610 10.113 ( 0.442 -0.086 0.519) 0.687 10.155 ( 1.024 -0.022 -0.335) 1.078 ======================= Grid point 4 (5/125) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -0.803 -0.540 0.961) 1.364 0.820 ( -1.572 1.697 0.601) 2.390 1.325 ( -1.296 4.994 13.079) 14.059 1.545 ( -7.795 7.153 -4.807) 11.620 1.799 ( 0.193 -3.628 -9.935) 10.579 1.954 ( 7.866 -10.724 -0.436) 13.307 2.737 ( 0.837 -0.494 0.047) 0.973 2.942 ( -4.997 5.541 3.629) 8.297 3.298 ( -4.700 8.013 -0.050) 9.290 3.417 ( 0.514 -0.652 1.549) 1.757 3.650 ( -1.059 -0.408 0.924) 1.464 3.779 ( 4.343 -9.540 -2.897) 10.875 4.036 ( 1.267 1.784 -0.738) 2.309 4.103 ( -3.441 -1.643 2.536) 4.579 4.163 ( 2.792 -0.449 -2.403) 3.711 4.403 ( 3.736 7.504 4.677) 9.599 4.504 ( -2.854 -4.402 -4.215) 6.730 4.641 ( 1.456 -1.401 2.398) 3.136 4.871 ( 0.050 -2.551 -1.891) 3.176 5.065 ( 0.421 -0.835 -0.861) 1.272 5.352 ( 0.836 0.479 0.473) 1.074 5.469 ( 0.017 0.324 -0.606) 0.688 5.773 ( -1.661 2.594 1.105) 3.272 5.934 ( 0.342 -0.039 -0.587) 0.680 8.780 ( -1.005 0.796 0.058) 1.283 8.810 ( -0.603 -0.734 0.760) 1.216 8.818 ( 1.661 0.482 -0.440) 1.784 8.866 ( -0.296 0.435 0.700) 0.876 8.901 ( 0.208 -1.085 -1.527) 1.884 8.992 ( -0.054 0.521 0.918) 1.057 9.023 ( 0.175 -0.832 -0.424) 0.951 9.067 ( 0.279 -0.014 0.141) 0.313 9.108 ( -0.255 -0.205 0.072) 0.335 9.260 ( -0.016 0.169 -0.106) 0.201 9.264 ( -0.150 0.011 -0.032) 0.154 9.273 ( -0.091 0.224 -0.236) 0.337 9.312 ( -0.235 0.382 0.355) 0.572 9.371 ( 0.256 -0.064 -0.536) 0.598 9.395 ( -0.312 0.160 -0.167) 0.388 9.474 ( -1.250 1.402 -1.459) 2.378 9.522 ( 1.574 -1.145 1.702) 2.586 9.559 ( 0.331 -0.129 0.162) 0.391 9.592 ( 0.523 -0.174 -0.018) 0.552 9.625 ( 0.174 -0.806 0.367) 0.903 9.917 ( 0.040 0.018 0.140) 0.146 10.063 ( -1.058 1.153 -0.526) 1.651 10.098 ( 0.981 -0.745 0.401) 1.295 10.144 ( 0.311 0.052 -0.116) 0.336 ======================= Grid point 10 (6/125) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.109 ( -0.000 0.000 10.381) 10.381 0.171 ( -0.000 0.000 15.870) 15.870 0.401 ( -0.000 0.000 37.527) 37.527 1.148 ( 0.000 -0.000 -5.982) 5.982 1.443 ( 0.000 -0.000 -9.143) 9.143 2.389 ( -0.000 0.000 7.175) 7.175 2.554 ( -0.000 0.000 2.824) 2.824 2.916 ( 0.000 -0.000 -25.698) 25.698 3.568 ( -0.000 0.000 18.826) 18.826 3.743 ( -0.000 0.000 0.644) 0.644 3.770 ( 0.000 -0.000 -0.271) 0.271 3.797 ( -0.000 0.000 2.057) 2.057 3.813 ( -0.000 0.000 3.926) 3.926 3.933 ( -0.000 0.000 3.328) 3.328 3.982 ( 0.000 -0.000 -0.601) 0.601 4.266 ( 0.000 -0.000 -2.422) 2.422 4.811 ( -0.000 0.000 1.282) 1.282 4.902 ( 0.000 -0.000 -17.035) 17.035 5.070 ( 0.000 -0.000 -7.731) 7.731 5.213 ( 0.000 -0.000 -5.652) 5.652 5.271 ( -0.000 0.000 14.807) 14.807 5.383 ( -0.000 0.000 4.662) 4.662 5.470 ( -0.000 0.000 2.664) 2.664 5.984 ( 0.000 -0.000 -2.552) 2.552 8.708 ( -0.000 0.000 0.546) 0.546 8.828 ( 0.000 -0.000 -1.637) 1.637 8.861 ( -0.000 0.000 0.223) 0.223 8.911 ( -0.000 0.000 1.433) 1.433 8.913 ( 0.000 -0.000 -0.411) 0.411 8.976 ( 0.000 -0.000 -0.087) 0.087 9.040 ( -0.000 0.000 0.453) 0.453 9.100 ( 0.000 -0.000 -0.256) 0.256 9.112 ( -0.000 0.000 0.475) 0.475 9.194 ( 0.000 -0.000 -0.527) 0.527 9.237 ( -0.000 0.000 0.016) 0.016 9.256 ( -0.000 0.000 0.514) 0.514 9.257 ( -0.000 0.000 0.016) 0.016 9.346 ( 0.000 -0.000 -0.154) 0.154 9.358 ( 0.000 -0.000 -0.638) 0.638 9.472 ( 0.000 -0.000 -3.982) 3.982 9.574 ( -0.000 0.000 0.651) 0.651 9.595 ( -0.000 0.000 0.269) 0.269 9.640 ( -0.000 0.000 3.939) 3.939 9.852 ( 0.000 -0.000 -0.407) 0.407 9.895 ( -0.000 0.000 0.424) 0.424 10.022 ( 0.000 -0.000 -1.271) 1.271 10.100 ( -0.000 0.000 0.959) 0.959 10.193 ( 0.000 -0.000 -0.456) 0.456 ======================= Grid point 11 (7/125) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.252 ( -6.193 -1.061 9.970) 11.785 0.448 ( -8.302 6.704 12.596) 16.509 0.714 ( -6.520 12.064 28.429) 31.563 1.152 ( -3.316 1.966 -8.216) 9.075 1.458 ( -6.340 5.658 -12.826) 15.385 2.405 ( -0.345 -4.704 6.614) 8.123 2.566 ( 0.175 -1.150 3.403) 3.596 2.788 ( 1.234 4.075 -25.043) 25.402 3.540 ( 6.008 -7.808 15.038) 17.978 3.582 ( 7.522 -6.585 1.547) 10.116 3.772 ( -0.822 -7.438 3.716) 8.356 3.845 ( -6.194 -4.650 2.110) 8.027 3.873 ( -4.910 0.494 1.612) 5.191 4.027 ( 0.224 7.032 -0.854) 7.087 4.071 ( 1.064 13.743 6.588) 15.278 4.253 ( 0.317 0.985 -2.614) 2.812 4.746 ( -0.389 -8.129 -12.146) 14.621 4.823 ( 1.003 -0.218 -2.517) 2.718 5.048 ( -0.852 0.129 -5.987) 6.049 5.174 ( 0.256 -0.858 -6.140) 6.205 5.330 ( 3.139 4.083 6.184) 8.047 5.447 ( -1.399 0.368 5.455) 5.643 5.482 ( -0.349 2.219 5.751) 6.174 5.956 ( 0.570 -0.755 -3.416) 3.545 8.726 ( -1.019 0.450 0.165) 1.126 8.802 ( 0.860 -1.656 -0.021) 1.866 8.839 ( 0.882 0.658 0.462) 1.193 8.902 ( 0.729 0.244 -0.786) 1.099 8.937 ( -0.756 -0.194 0.792) 1.112 8.988 ( -0.909 -1.013 -0.167) 1.371 9.040 ( 0.437 0.423 0.357) 0.706 9.089 ( 0.069 -0.542 -0.929) 1.077 9.119 ( -0.432 -0.703 1.200) 1.456 9.207 ( -0.954 1.237 -0.715) 1.718 9.240 ( -0.172 0.199 -0.012) 0.264 9.257 ( -0.114 -0.138 -0.046) 0.185 9.265 ( -0.215 0.485 0.781) 0.944 9.351 ( -0.362 0.467 -0.182) 0.618 9.362 ( -0.603 0.370 -0.732) 1.017 9.446 ( 0.477 -0.010 -4.213) 4.240 9.585 ( 0.561 1.217 0.273) 1.368 9.605 ( -0.715 -0.286 -1.316) 1.524 9.647 ( 1.592 -0.467 4.125) 4.446 9.780 ( 4.222 -1.890 3.043) 5.536 9.899 ( -0.138 0.417 1.018) 1.108 10.015 ( 0.056 0.205 -1.561) 1.575 10.108 ( -0.067 0.357 1.035) 1.097 10.186 ( 0.613 0.038 -0.636) 0.883 ======================= Grid point 12 (8/125) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( -5.424 -2.519 8.005) 9.993 0.656 ( -4.340 2.823 11.639) 12.738 1.074 ( -4.922 9.132 23.397) 25.594 1.195 ( -4.907 2.706 -8.455) 10.143 1.627 ( -11.003 9.834 -16.890) 22.429 2.365 ( -0.022 -5.542 -0.640) 5.579 2.550 ( 0.653 -1.337 -0.097) 1.491 2.727 ( 0.823 6.046 -10.571) 12.205 3.401 ( 5.805 -8.347 6.798) 12.230 3.457 ( 3.221 -4.973 7.982) 9.941 3.724 ( -0.551 -6.140 3.281) 6.983 3.888 ( -5.470 -5.441 1.218) 7.811 3.959 ( -2.869 2.125 1.411) 3.839 4.084 ( 0.901 4.701 -2.050) 5.207 4.184 ( 0.992 4.747 -0.927) 4.937 4.296 ( 3.271 11.042 6.165) 13.063 4.590 ( -2.598 -10.330 -13.491) 17.189 4.787 ( 2.059 -2.254 1.832) 3.560 5.012 ( 1.035 -3.663 -0.272) 3.816 5.123 ( 0.444 -1.603 -5.045) 5.312 5.345 ( 1.965 3.931 -2.284) 4.953 5.457 ( 2.557 2.532 1.813) 4.030 5.597 ( -3.610 2.778 7.652) 8.905 5.928 ( -0.004 0.062 -3.166) 3.166 8.746 ( -0.632 0.454 0.001) 0.779 8.786 ( -0.351 -0.375 0.912) 1.047 8.836 ( 1.150 1.102 0.189) 1.604 8.888 ( 0.450 -0.113 -1.105) 1.198 8.932 ( -0.177 -1.957 -0.581) 2.049 8.989 ( -0.046 -0.255 1.199) 1.227 9.042 ( 0.148 0.204 0.309) 0.399 9.079 ( -0.006 -0.218 -1.289) 1.307 9.119 ( -0.068 -1.287 1.361) 1.875 9.235 ( -0.985 1.422 -0.671) 1.856 9.246 ( -0.233 0.441 -0.098) 0.508 9.258 ( -0.286 -0.102 -0.222) 0.376 9.282 ( -0.483 0.687 1.087) 1.374 9.365 ( -0.587 0.803 -0.082) 0.998 9.372 ( -0.538 0.299 -1.197) 1.346 9.421 ( 0.053 0.402 -3.145) 3.171 9.587 ( 0.800 0.423 -0.370) 0.978 9.598 ( -0.261 -0.912 0.184) 0.967 9.625 ( 2.560 -0.870 3.090) 4.106 9.718 ( 2.923 -1.975 1.842) 3.979 9.913 ( -0.164 0.450 0.994) 1.103 10.012 ( -0.276 0.726 -1.454) 1.649 10.118 ( 0.092 0.351 0.850) 0.924 10.169 ( 1.004 0.012 -0.672) 1.208 ======================= Grid point 13 (9/125) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.438 ( -3.009 -4.030 5.044) 7.123 0.790 ( -2.939 1.360 8.517) 9.112 1.303 ( -8.372 4.540 -5.194) 10.848 1.316 ( -1.831 6.416 13.922) 15.438 1.728 ( -3.979 1.508 -11.869) 12.609 2.227 ( 6.720 -10.716 0.419) 12.656 2.565 ( -2.450 8.530 -18.595) 20.604 2.845 ( -6.667 8.679 11.426) 15.822 3.284 ( 3.197 -5.679 6.276) 9.048 3.433 ( 0.004 -1.612 4.466) 4.748 3.684 ( -0.409 -4.962 2.254) 5.465 3.885 ( -1.290 -6.503 -1.112) 6.722 4.016 ( 1.906 5.470 -0.702) 5.835 4.089 ( -1.327 -0.593 -0.268) 1.479 4.190 ( 1.342 0.867 -2.221) 2.737 4.390 ( 5.414 11.224 4.120) 13.125 4.473 ( -5.610 -9.900 -9.692) 14.947 4.730 ( 2.339 -3.872 3.673) 5.827 4.940 ( 2.397 -4.517 3.314) 6.094 5.078 ( 0.711 -1.016 -2.362) 2.667 5.338 ( 0.240 1.765 -5.498) 5.779 5.457 ( 2.626 3.866 0.070) 4.675 5.719 ( -3.295 2.473 5.597) 6.950 5.923 ( -0.449 0.549 -2.426) 2.528 8.759 ( -0.555 0.649 -0.049) 0.855 8.807 ( -1.143 -0.132 1.404) 1.815 8.831 ( 1.522 1.695 0.109) 2.281 8.872 ( 0.365 -0.798 -0.454) 0.988 8.904 ( -0.131 -1.735 -1.702) 2.434 8.996 ( 0.124 0.268 1.406) 1.437 9.037 ( 0.161 -0.968 0.092) 0.985 9.069 ( 0.257 0.032 -1.120) 1.150 9.113 ( -0.037 -0.789 0.942) 1.229 9.253 ( -0.155 0.540 -0.168) 0.586 9.257 ( -0.270 0.740 -0.345) 0.860 9.262 ( -0.556 0.136 -0.265) 0.630 9.304 ( -0.525 0.546 0.871) 1.154 9.368 ( -0.040 -0.089 -1.667) 1.670 9.384 ( -0.492 0.819 0.269) 0.992 9.428 ( -1.119 1.302 -1.791) 2.481 9.569 ( 0.649 -0.817 -0.461) 1.141 9.583 ( 2.164 -1.238 2.556) 3.571 9.602 ( 0.447 0.212 0.384) 0.626 9.663 ( 2.048 -2.014 0.820) 2.987 9.920 ( 0.133 0.066 0.538) 0.558 10.027 ( -0.944 1.350 -0.893) 1.875 10.119 ( 0.563 -0.145 0.577) 0.819 10.151 ( 0.841 0.018 -0.477) 0.967 ======================= Grid point 14 (10/125) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( -1.301 -3.872 2.314) 4.695 0.863 ( -0.545 -1.002 7.381) 7.469 1.326 ( -0.566 -6.104 -11.976) 13.453 1.534 ( -7.632 12.657 0.666) 14.795 1.770 ( 0.129 1.419 6.463) 6.618 1.989 ( 6.775 -8.442 6.487) 12.619 2.578 ( -1.325 7.876 -21.376) 22.819 3.105 ( -1.299 -2.171 18.368) 18.542 3.294 ( -5.401 7.436 -0.326) 9.197 3.424 ( 1.039 -3.340 -0.711) 3.569 3.662 ( -1.300 -1.053 1.333) 2.139 3.751 ( 4.986 -6.715 -2.501) 8.729 4.029 ( 1.194 2.869 -0.469) 3.143 4.131 ( -2.435 0.444 2.450) 3.483 4.138 ( 3.385 -0.138 -1.935) 3.901 4.400 ( -2.506 -5.923 -5.319) 8.346 4.460 ( -1.957 3.547 -2.655) 4.843 4.671 ( 2.100 -3.500 2.605) 4.842 4.900 ( 2.460 0.041 6.652) 7.092 5.058 ( 0.368 0.476 -0.280) 0.664 5.325 ( -1.324 -0.077 -5.343) 5.505 5.463 ( 2.138 3.827 -0.261) 4.392 5.799 ( -1.363 -0.192 3.580) 3.835 5.922 ( -0.653 0.090 -1.815) 1.931 8.781 ( -0.765 1.180 0.052) 1.407 8.810 ( 1.319 0.337 -0.401) 1.419 8.824 ( -0.160 -1.545 1.243) 1.989 8.871 ( -0.196 -0.079 -0.111) 0.238 8.886 ( -0.412 0.371 -1.081) 1.215 9.002 ( 0.396 -0.283 0.698) 0.851 9.022 ( 0.034 -0.602 0.338) 0.692 9.062 ( 0.062 0.076 -1.060) 1.064 9.111 ( 0.147 -0.081 0.493) 0.521 9.259 ( -0.046 0.254 -0.052) 0.263 9.263 ( -0.030 0.332 -0.094) 0.346 9.271 ( -0.309 0.231 -0.047) 0.388 9.315 ( -0.175 -0.124 0.088) 0.231 9.364 ( -0.481 -0.000 -0.602) 0.771 9.399 ( 0.006 0.524 0.676) 0.856 9.456 ( -1.525 1.520 -1.704) 2.746 9.538 ( 1.365 -1.749 1.160) 2.503 9.562 ( 0.599 -0.264 0.302) 0.721 9.596 ( 0.851 -0.035 0.695) 1.099 9.626 ( 0.557 -0.743 -0.344) 0.991 9.918 ( 0.176 -0.072 0.115) 0.222 10.058 ( -1.239 1.329 -0.324) 1.846 10.101 ( 1.100 -0.793 0.217) 1.374 10.142 ( 0.137 0.056 -0.100) 0.179 ======================= Grid point 15 (11/125) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( 0.181 -2.619 0.644) 2.703 0.852 ( 2.723 -5.317 6.590) 8.895 1.147 ( 1.940 -6.655 -17.451) 18.777 1.596 ( 8.571 -8.498 3.843) 12.667 1.857 ( -7.927 13.771 0.040) 15.890 2.065 ( -1.771 6.014 19.697) 20.671 2.563 ( -0.942 6.497 -23.156) 24.069 3.039 ( 7.832 -11.430 12.113) 18.404 3.289 ( 2.719 -7.605 -1.955) 8.309 3.399 ( -0.566 -1.594 -1.433) 2.217 3.642 ( 0.943 -0.430 -0.528) 1.163 3.812 ( -3.312 11.979 3.024) 12.791 4.045 ( -0.795 -0.030 1.115) 1.370 4.079 ( 3.537 2.825 -1.934) 4.923 4.186 ( -1.741 1.064 1.694) 2.652 4.329 ( -5.942 -11.612 -7.421) 15.008 4.529 ( -1.245 4.606 0.769) 4.833 4.627 ( -0.159 -1.082 -0.283) 1.129 4.923 ( 2.683 4.066 6.059) 7.774 5.075 ( -0.497 1.963 0.922) 2.225 5.325 ( -2.637 -1.079 -3.835) 4.777 5.472 ( 1.658 2.987 0.038) 3.416 5.774 ( 1.833 -5.314 0.852) 5.685 5.936 ( -1.222 0.227 -0.156) 1.253 8.780 ( 1.308 -0.378 -0.041) 1.362 8.803 ( 0.382 0.626 -0.508) 0.892 8.825 ( -1.379 -1.523 0.610) 2.143 8.858 ( 0.055 0.198 -0.695) 0.725 8.915 ( -0.616 1.612 1.061) 2.026 8.984 ( 0.464 -0.871 -0.690) 1.204 9.030 ( -0.179 0.358 0.891) 0.977 9.060 ( -0.360 0.351 -1.087) 1.197 9.109 ( 0.496 0.262 0.253) 0.615 9.261 ( -0.039 -0.042 0.114) 0.128 9.264 ( 0.243 0.145 -0.035) 0.285 9.276 ( -0.034 -0.107 0.290) 0.311 9.308 ( 0.209 -0.810 -0.382) 0.920 9.374 ( -0.825 -0.052 0.046) 0.828 9.402 ( 0.651 0.323 0.880) 1.141 9.483 ( -0.554 -0.050 -0.016) 0.556 9.508 ( 0.039 -0.848 -0.488) 0.979 9.557 ( -0.503 0.104 -0.193) 0.548 9.596 ( -0.142 0.471 0.652) 0.816 9.619 ( 0.155 0.767 -0.858) 1.161 9.916 ( 0.075 -0.093 -0.096) 0.153 10.069 ( 1.010 -1.087 0.545) 1.580 10.093 ( -0.997 0.786 -0.461) 1.351 10.145 ( -0.446 -0.046 0.075) 0.455 ======================= Grid point 16 (12/125) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 2.851 -2.165 -0.350) 3.597 0.716 ( 5.009 -10.979 0.675) 12.087 0.966 ( 4.395 -4.124 -9.180) 10.982 1.408 ( 6.462 -5.023 2.152) 8.463 2.104 ( -0.811 7.625 11.191) 13.566 2.229 ( 0.949 0.647 7.491) 7.579 2.445 ( 3.204 0.371 -19.049) 19.320 2.905 ( 0.687 0.752 6.911) 6.986 3.212 ( -1.045 -4.817 -1.891) 5.279 3.359 ( -0.415 -2.089 -1.196) 2.443 3.648 ( -0.449 1.864 -0.771) 2.067 3.909 ( 6.438 8.871 0.881) 10.996 4.004 ( 5.490 2.195 -0.610) 5.944 4.127 ( -3.659 -2.447 1.614) 4.689 4.221 ( -3.943 -7.163 1.292) 8.278 4.257 ( -4.064 -6.171 -4.993) 8.918 4.620 ( -2.183 5.300 2.324) 6.186 4.677 ( -4.285 4.862 -0.844) 6.536 4.956 ( 2.796 5.332 1.868) 6.303 5.124 ( -1.361 2.899 1.120) 3.393 5.343 ( -3.183 -1.164 -1.588) 3.742 5.475 ( 1.394 1.257 0.336) 1.907 5.650 ( 3.214 -9.043 -0.673) 9.621 5.951 ( -0.672 -0.264 0.384) 0.818 8.762 ( 0.717 0.213 0.165) 0.766 8.784 ( 1.225 -0.673 -0.529) 1.494 8.829 ( -1.451 -1.617 -0.034) 2.173 8.878 ( -0.717 1.553 0.097) 1.713 8.941 ( 0.105 1.048 1.316) 1.686 8.968 ( 0.237 -0.006 -1.095) 1.120 9.036 ( -0.346 -0.421 0.047) 0.548 9.073 ( -0.648 1.110 -0.369) 1.337 9.105 ( 0.681 0.486 0.122) 0.846 9.257 ( 0.328 -0.256 0.098) 0.427 9.261 ( 0.070 -0.397 0.031) 0.404 9.272 ( 0.380 -0.375 0.396) 0.665 9.287 ( 0.611 -1.186 -0.477) 1.417 9.379 ( -0.065 -0.650 -0.044) 0.655 9.399 ( 0.808 0.393 0.626) 1.095 9.470 ( 0.417 -0.982 1.599) 1.922 9.525 ( -2.165 0.533 -1.929) 2.948 9.576 ( -1.663 -0.571 -0.004) 1.758 9.612 ( -0.004 1.428 1.544) 2.103 9.631 ( -0.786 1.738 -1.875) 2.675 9.911 ( 0.177 -0.320 -0.169) 0.403 10.044 ( 0.671 -1.029 0.361) 1.280 10.109 ( -0.406 0.056 -0.230) 0.470 10.158 ( -1.111 0.040 0.119) 1.119 ======================= Grid point 17 (13/125) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.280 ( 6.326 -1.620 -0.000) 6.530 0.489 ( 6.093 -12.459 0.000) 13.869 0.788 ( 8.065 -7.676 0.000) 11.133 1.300 ( 4.131 -1.680 -0.000) 4.460 1.887 ( 14.330 -16.365 0.000) 21.753 2.271 ( -0.331 7.008 -0.000) 7.016 2.487 ( -2.107 4.962 -0.000) 5.391 3.070 ( -6.172 11.222 -0.000) 12.807 3.154 ( -0.752 -5.515 0.000) 5.566 3.404 ( -4.943 3.601 -0.000) 6.116 3.684 ( -1.182 2.756 -0.000) 2.999 3.884 ( 7.851 7.180 -0.000) 10.639 3.935 ( 6.222 2.125 -0.000) 6.575 4.107 ( -1.006 -6.769 0.000) 6.843 4.138 ( -4.038 -15.038 0.000) 15.570 4.271 ( -0.443 0.537 -0.000) 0.696 4.713 ( -2.236 4.086 -0.000) 4.658 4.844 ( -6.087 7.040 -0.000) 9.306 4.978 ( 2.809 6.362 -0.000) 6.954 5.185 ( -1.648 2.639 -0.000) 3.112 5.375 ( -2.216 -0.479 0.000) 2.267 5.455 ( 1.334 -1.185 0.000) 1.784 5.475 ( 3.274 -11.738 0.000) 12.186 5.962 ( -0.718 0.433 -0.000) 0.838 8.753 ( 1.308 -0.610 -0.000) 1.444 8.766 ( 0.052 1.269 -0.000) 1.271 8.835 ( -1.621 -1.615 0.000) 2.288 8.901 ( -0.520 0.623 -0.000) 0.812 8.945 ( 0.969 0.355 -0.000) 1.032 8.970 ( -0.097 1.395 -0.000) 1.398 9.036 ( -0.513 -0.662 0.000) 0.838 9.094 ( -0.531 0.902 -0.000) 1.047 9.101 ( 0.622 0.614 -0.000) 0.874 9.244 ( 0.753 -1.530 0.000) 1.705 9.248 ( 0.351 -0.389 0.000) 0.524 9.264 ( 0.319 -0.221 0.000) 0.388 9.266 ( 0.403 -0.555 0.000) 0.686 9.366 ( 0.467 -0.749 0.000) 0.883 9.385 ( 1.271 -0.022 -0.000) 1.272 9.476 ( -0.875 0.058 0.000) 0.877 9.561 ( -2.117 0.758 0.000) 2.249 9.585 ( -0.959 -1.144 0.000) 1.493 9.649 ( -0.960 0.871 -0.000) 1.296 9.656 ( -1.426 1.806 -0.000) 2.301 9.901 ( 0.351 -0.584 0.000) 0.682 10.031 ( 0.081 -0.480 0.000) 0.487 10.107 ( 0.047 -0.507 0.000) 0.509 10.177 ( -1.123 0.013 0.000) 1.123 ======================= Grid point 20 (14/125) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.222 ( -0.000 0.000 10.965) 10.965 0.335 ( -0.000 0.000 14.518) 14.518 0.798 ( -0.000 0.000 37.037) 37.037 1.063 ( 0.000 -0.000 -9.403) 9.403 1.318 ( 0.000 -0.000 -13.607) 13.607 2.481 ( -0.000 0.000 9.133) 9.133 2.592 ( -0.000 0.000 3.822) 3.822 2.616 ( 0.000 -0.000 -29.875) 29.875 3.710 ( -0.000 0.000 6.141) 6.141 3.759 ( -0.000 0.000 2.522) 2.522 3.766 ( 0.000 -0.000 -0.450) 0.450 3.830 ( -0.000 0.000 4.024) 4.024 3.924 ( -0.000 0.000 17.794) 17.794 3.972 ( 0.000 -0.000 -1.355) 1.355 3.980 ( -0.000 0.000 5.238) 5.238 4.231 ( 0.000 -0.000 -4.026) 4.026 4.716 ( 0.000 -0.000 -17.751) 17.751 4.825 ( -0.000 0.000 0.540) 0.540 4.966 ( 0.000 -0.000 -10.607) 10.607 5.146 ( 0.000 -0.000 -6.542) 6.542 5.424 ( -0.000 0.000 13.802) 13.802 5.433 ( -0.000 0.000 4.577) 4.577 5.500 ( -0.000 0.000 2.563) 2.563 5.944 ( 0.000 -0.000 -4.960) 4.960 8.717 ( -0.000 0.000 1.010) 1.010 8.807 ( 0.000 -0.000 -2.070) 2.070 8.865 ( -0.000 0.000 0.452) 0.452 8.907 ( 0.000 -0.000 -0.725) 0.725 8.928 ( -0.000 0.000 1.650) 1.650 8.974 ( 0.000 -0.000 -0.202) 0.202 9.047 ( -0.000 0.000 0.806) 0.806 9.096 ( 0.000 -0.000 -0.528) 0.528 9.120 ( -0.000 0.000 0.898) 0.898 9.186 ( 0.000 -0.000 -0.952) 0.952 9.238 ( -0.000 0.000 0.108) 0.108 9.257 ( 0.000 -0.000 -0.113) 0.113 9.265 ( -0.000 0.000 1.117) 1.117 9.344 ( 0.000 -0.000 -0.262) 0.262 9.350 ( 0.000 -0.000 -0.840) 0.840 9.425 ( 0.000 -0.000 -4.575) 4.575 9.583 ( -0.000 0.000 0.952) 0.952 9.599 ( -0.000 0.000 0.376) 0.376 9.686 ( -0.000 0.000 4.498) 4.498 9.844 ( 0.000 -0.000 -1.074) 1.074 9.902 ( -0.000 0.000 1.036) 1.036 10.005 ( 0.000 -0.000 -1.921) 1.921 10.113 ( -0.000 0.000 1.372) 1.372 10.186 ( 0.000 -0.000 -0.873) 0.873 ======================= Grid point 21 (15/125) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( -4.687 -0.308 10.253) 11.278 0.581 ( -9.346 7.633 12.673) 17.499 1.025 ( -4.575 3.051 9.497) 10.974 1.075 ( -1.695 6.066 13.475) 14.875 1.305 ( -6.004 4.218 -15.233) 16.908 2.388 ( 0.271 -6.532 -17.757) 18.923 2.581 ( 1.563 3.912 -1.919) 4.629 2.617 ( -0.864 2.644 1.316) 3.077 3.601 ( 5.900 -7.821 2.082) 10.015 3.660 ( 5.317 -5.073 7.379) 10.414 3.818 ( -3.672 -9.543 4.622) 11.222 3.885 ( -0.732 -0.583 4.313) 4.413 3.903 ( -3.555 -2.732 5.338) 6.971 4.013 ( -0.467 5.946 -1.562) 6.165 4.136 ( 0.660 6.063 2.030) 6.428 4.248 ( 1.840 9.781 4.905) 11.095 4.580 ( -2.583 -9.277 -16.421) 19.036 4.827 ( 0.594 0.653 -0.054) 0.884 4.961 ( -1.984 4.088 -8.288) 9.452 5.105 ( 0.162 -0.860 -6.520) 6.579 5.397 ( 4.885 -0.166 5.554) 7.398 5.489 ( 1.174 -0.239 2.504) 2.775 5.563 ( -2.934 2.359 8.910) 9.673 5.909 ( 0.138 -0.428 -5.445) 5.464 8.732 ( -0.614 0.535 0.855) 1.181 8.793 ( 0.354 -0.160 -1.346) 1.401 8.848 ( 0.815 -0.536 1.014) 1.407 8.893 ( 0.832 -0.026 -0.934) 1.251 8.945 ( -0.352 -0.710 0.713) 1.066 8.987 ( -1.175 0.078 0.046) 1.178 9.044 ( 0.517 -0.041 0.474) 0.703 9.080 ( 0.408 -0.590 -0.798) 1.073 9.133 ( -0.668 -0.660 1.245) 1.560 9.198 ( -1.118 1.200 -0.960) 1.900 9.240 ( -0.115 0.167 0.112) 0.232 9.255 ( -0.077 -0.183 -0.229) 0.303 9.276 ( -0.231 0.468 1.377) 1.473 9.349 ( -0.408 0.480 -0.245) 0.677 9.353 ( -0.417 0.595 -0.861) 1.127 9.401 ( 0.150 0.183 -4.058) 4.064 9.589 ( 0.275 0.426 0.424) 0.661 9.600 ( -0.293 -0.490 0.107) 0.581 9.692 ( 1.836 -0.704 4.095) 4.542 9.796 ( 3.259 -1.547 0.178) 3.613 9.912 ( -0.110 0.396 1.425) 1.483 9.995 ( -0.024 0.302 -1.981) 2.004 10.121 ( 0.066 0.231 1.311) 1.333 10.177 ( 0.551 0.047 -0.993) 1.136 ======================= Grid point 22 (16/125) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.460 ( -4.117 -3.336 7.474) 9.162 0.789 ( -4.004 0.256 13.148) 13.746 1.101 ( -6.074 3.765 -8.483) 11.092 1.316 ( -2.752 2.398 13.914) 14.385 1.481 ( -10.192 12.997 -2.707) 16.737 2.248 ( -1.090 0.574 -20.710) 20.747 2.526 ( 4.691 -3.577 -0.581) 5.927 2.710 ( -3.138 6.537 2.807) 7.775 3.451 ( 3.569 -7.271 3.658) 8.887 3.556 ( 3.839 -7.506 8.794) 12.183 3.767 ( -1.158 -9.072 5.193) 10.517 3.907 ( -1.821 -2.595 2.238) 3.881 3.970 ( 0.933 5.865 0.311) 5.946 4.061 ( -0.780 1.867 -1.854) 2.744 4.152 ( -0.914 2.153 -4.089) 4.710 4.368 ( 5.030 11.197 3.673) 12.812 4.452 ( -5.117 -10.010 -9.083) 14.453 4.814 ( 1.261 -2.070 2.844) 3.737 5.002 ( -1.442 0.861 -1.288) 2.117 5.063 ( -0.672 -0.057 -5.982) 6.020 5.326 ( 5.062 -0.183 -1.310) 5.232 5.474 ( 3.040 2.160 1.274) 3.941 5.680 ( -3.220 1.733 7.698) 8.522 5.887 ( -0.791 0.547 -4.545) 4.646 8.748 ( -0.281 0.344 0.219) 0.495 8.793 ( -0.669 0.683 0.366) 1.024 8.840 ( 0.934 0.395 0.618) 1.188 8.875 ( 0.477 -0.010 -1.266) 1.353 8.927 ( 0.237 -2.411 -0.284) 2.439 9.003 ( -0.154 0.053 1.309) 1.319 9.042 ( -0.102 0.060 -0.307) 0.328 9.066 ( 0.164 -0.334 -0.943) 1.014 9.132 ( 0.041 -1.258 1.083) 1.660 9.228 ( -1.183 1.361 -0.582) 1.895 9.246 ( -0.172 0.386 0.055) 0.426 9.255 ( -0.260 -0.068 -0.298) 0.401 9.296 ( -0.431 0.569 1.417) 1.587 9.356 ( -0.097 0.205 -1.756) 1.770 9.365 ( -0.671 0.939 -0.026) 1.154 9.392 ( -0.619 0.900 -2.087) 2.356 9.582 ( 0.475 -0.575 -0.301) 0.804 9.603 ( -0.247 -0.121 0.517) 0.585 9.658 ( 3.054 -1.473 2.827) 4.414 9.730 ( 3.001 -1.706 0.480) 3.485 9.924 ( 0.049 0.238 1.155) 1.180 9.996 ( -0.510 1.001 -1.504) 1.877 10.128 ( 0.268 0.236 0.992) 1.054 10.161 ( 0.854 0.046 -0.905) 1.246 ======================= Grid point 23 (17/125) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -2.429 -5.725 3.577) 7.175 0.898 ( -2.609 -0.837 10.857) 11.198 1.246 ( -9.093 5.532 -4.311) 11.484 1.345 ( -0.729 -2.083 -8.209) 8.500 1.753 ( -3.382 8.024 15.870) 18.102 2.190 ( 1.792 -1.121 -10.060) 10.280 2.387 ( 3.394 0.488 -11.324) 11.832 2.928 ( -9.161 12.482 4.288) 16.066 3.365 ( 2.509 -5.709 7.492) 9.748 3.475 ( 1.005 -5.934 3.287) 6.857 3.711 ( -0.207 -6.561 2.795) 7.135 3.866 ( 3.329 -3.451 -2.656) 5.481 4.002 ( 1.967 5.443 -1.214) 5.914 4.097 ( -2.221 1.051 1.471) 2.863 4.161 ( -0.069 -0.168 -2.830) 2.836 4.371 ( -7.062 -6.388 -6.634) 11.606 4.423 ( 5.221 4.335 0.633) 6.816 4.768 ( 2.113 -4.256 3.016) 5.628 4.988 ( 0.920 -2.815 3.788) 4.808 5.070 ( 1.093 0.779 2.702) 3.017 5.254 ( 0.622 2.273 -9.498) 9.786 5.462 ( 3.317 3.774 0.537) 5.054 5.781 ( -2.871 1.200 5.852) 6.628 5.890 ( -1.175 0.594 -3.687) 3.915 8.759 ( -0.445 0.836 0.006) 0.948 8.822 ( -1.029 -0.513 1.231) 1.684 8.832 ( 1.311 2.039 0.154) 2.429 8.866 ( 0.083 0.023 -0.740) 0.745 8.889 ( 0.220 -2.602 -0.996) 2.795 9.011 ( 0.129 0.231 1.534) 1.556 9.036 ( 0.142 -0.946 -0.313) 1.006 9.056 ( 0.057 -0.172 -1.174) 1.188 9.122 ( 0.291 -0.670 0.660) 0.984 9.252 ( -0.345 0.794 -0.155) 0.880 9.254 ( -0.181 0.554 -0.119) 0.595 9.260 ( -0.543 0.209 -0.180) 0.610 9.313 ( -0.323 0.111 0.739) 0.814 9.352 ( -0.393 0.166 -1.227) 1.299 9.389 ( -0.620 1.023 0.598) 1.338 9.410 ( -1.076 1.337 -1.438) 2.239 9.565 ( 0.385 -0.852 -0.227) 0.962 9.604 ( 2.642 -0.655 0.900) 2.867 9.608 ( 0.001 -0.876 1.096) 1.403 9.668 ( 2.621 -1.781 0.172) 3.174 9.925 ( 0.346 -0.125 0.382) 0.531 10.019 ( -1.160 1.578 -0.579) 2.042 10.125 ( 0.811 -0.236 0.472) 0.967 10.145 ( 0.550 0.091 -0.449) 0.716 ======================= Grid point 24 (18/125) ======================= q-point: ( 0.67 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -1.448 -5.348 1.107) 5.650 0.968 ( -0.702 -1.899 11.003) 11.187 1.170 ( 1.232 -9.672 -14.077) 17.124 1.528 ( -9.714 14.054 -0.785) 17.102 1.850 ( 5.875 -6.241 4.503) 9.681 2.115 ( 1.427 2.630 17.538) 17.792 2.338 ( -0.810 7.326 -22.681) 23.848 3.260 ( -7.521 8.037 6.591) 12.830 3.308 ( 1.254 -2.831 6.095) 6.836 3.393 ( 1.948 -6.048 -5.397) 8.336 3.678 ( -1.364 -0.518 1.511) 2.101 3.725 ( 4.674 -5.013 -2.065) 7.158 4.026 ( 1.084 3.449 -0.146) 3.618 4.121 ( 2.989 -0.204 -0.897) 3.128 4.153 ( -1.197 2.170 1.224) 2.764 4.341 ( -4.889 -11.041 -3.656) 12.617 4.441 ( -1.598 5.042 -1.071) 5.397 4.691 ( 2.023 -4.883 1.002) 5.379 4.972 ( 2.749 0.819 4.422) 5.270 5.066 ( 2.089 1.978 1.743) 3.364 5.259 ( -3.226 0.737 -5.375) 6.312 5.462 ( 2.765 4.394 0.020) 5.192 5.839 ( -0.355 -1.985 3.172) 3.759 5.898 ( -1.983 0.705 -2.275) 3.099 8.781 ( -0.651 1.416 0.022) 1.558 8.807 ( 1.664 0.097 -0.165) 1.675 8.839 ( -0.549 -2.403 1.241) 2.759 8.861 ( 0.282 -0.622 -1.241) 1.417 8.882 ( -1.045 1.988 0.041) 2.246 9.006 ( 0.735 -1.298 0.137) 1.498 9.031 ( -0.147 0.252 1.168) 1.204 9.048 ( -0.029 -0.058 -1.390) 1.392 9.116 ( 0.372 0.013 0.242) 0.444 9.258 ( -0.054 0.277 -0.012) 0.282 9.262 ( -0.019 0.499 -0.045) 0.502 9.271 ( -0.395 0.347 0.014) 0.526 9.315 ( -0.134 -0.537 -0.035) 0.555 9.360 ( -0.802 0.134 -0.202) 0.838 9.407 ( 0.155 0.749 0.655) 1.007 9.441 ( -1.668 1.396 -1.012) 2.399 9.545 ( 0.699 -1.512 0.268) 1.687 9.565 ( 1.218 -0.704 0.224) 1.425 9.606 ( 0.875 -0.193 1.154) 1.461 9.618 ( 0.941 -0.572 -0.966) 1.465 9.919 ( 0.266 -0.132 0.043) 0.300 10.056 ( -1.383 1.465 -0.104) 2.018 10.103 ( 1.213 -0.842 0.061) 1.477 10.142 ( 0.013 0.058 -0.039) 0.071 ======================= Grid point 25 (19/125) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -0.085 -3.624 0.000) 3.625 0.933 ( 4.103 -12.470 0.000) 13.128 1.006 ( 1.240 -0.897 0.000) 1.530 1.618 ( 8.823 -9.529 0.000) 12.987 1.852 ( -9.523 15.368 -0.000) 18.079 2.291 ( 0.471 6.884 -0.000) 6.901 2.322 ( -1.842 5.813 -0.000) 6.098 3.117 ( 10.629 -11.799 0.000) 15.880 3.269 ( -0.043 -6.840 0.000) 6.841 3.392 ( -0.670 -2.604 0.000) 2.689 3.639 ( 0.953 -0.779 0.000) 1.231 3.831 ( -2.763 13.128 -0.000) 13.416 4.058 ( -2.370 2.228 -0.000) 3.253 4.063 ( 5.319 2.132 -0.000) 5.730 4.195 ( -1.189 1.508 -0.000) 1.921 4.283 ( -6.751 -13.461 0.000) 15.059 4.531 ( -2.960 4.465 -0.000) 5.357 4.628 ( 0.243 -2.182 0.000) 2.196 4.962 ( 3.724 4.229 -0.000) 5.634 5.082 ( -0.165 2.636 -0.000) 2.641 5.297 ( -3.550 -0.987 0.000) 3.685 5.472 ( 2.034 3.683 -0.000) 4.207 5.780 ( 2.004 -6.284 0.000) 6.596 5.934 ( -1.648 0.381 0.000) 1.691 8.780 ( 1.464 -0.173 -0.000) 1.475 8.800 ( 0.253 0.453 -0.000) 0.519 8.829 ( -1.236 -2.177 0.000) 2.504 8.854 ( -0.076 0.825 -0.000) 0.828 8.921 ( -0.855 1.852 -0.000) 2.039 8.979 ( 0.706 -1.040 0.000) 1.257 9.038 ( -0.131 -0.462 0.000) 0.480 9.050 ( -0.387 1.074 -0.000) 1.142 9.111 ( 0.545 0.280 -0.000) 0.613 9.262 ( -0.096 0.044 0.000) 0.106 9.263 ( 0.289 0.133 -0.000) 0.318 9.278 ( -0.036 0.032 -0.000) 0.049 9.306 ( 0.162 -1.026 0.000) 1.039 9.374 ( -0.918 -0.085 0.000) 0.922 9.408 ( 0.764 0.539 -0.000) 0.935 9.480 ( -2.000 0.787 0.000) 2.150 9.508 ( 1.357 -1.997 0.000) 2.414 9.556 ( -0.616 0.088 0.000) 0.622 9.603 ( -0.135 0.741 -0.000) 0.753 9.611 ( 0.430 0.616 -0.000) 0.751 9.915 ( 0.119 -0.122 0.000) 0.170 10.072 ( 1.134 -1.184 0.000) 1.639 10.090 ( -1.149 0.923 -0.000) 1.474 10.145 ( -0.496 -0.044 0.000) 0.498 ======================= Grid point 30 (20/125) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -0.000 0.000 11.316) 11.316 0.471 ( -0.000 0.000 10.171) 10.171 0.966 ( 0.000 -0.000 -7.639) 7.639 1.166 ( 0.000 -0.000 -14.371) 14.371 1.189 ( -0.000 0.000 36.227) 36.227 2.286 ( 0.000 -0.000 -32.024) 32.024 2.570 ( -0.000 0.000 7.078) 7.078 2.628 ( -0.000 0.000 2.698) 2.698 3.741 ( -0.000 0.000 1.277) 1.277 3.761 ( 0.000 -0.000 -0.507) 0.507 3.798 ( -0.000 0.000 4.572) 4.572 3.879 ( -0.000 0.000 4.817) 4.817 3.955 ( 0.000 -0.000 -1.615) 1.615 4.034 ( -0.000 0.000 3.657) 3.657 4.144 ( -0.000 0.000 21.721) 21.721 4.193 ( 0.000 -0.000 -1.622) 1.622 4.529 ( 0.000 -0.000 -16.971) 16.971 4.761 ( 0.000 -0.000 -13.696) 13.696 4.910 ( -0.000 0.000 1.506) 1.506 5.076 ( 0.000 -0.000 -6.498) 6.498 5.477 ( -0.000 0.000 3.587) 3.587 5.520 ( -0.000 0.000 1.135) 1.135 5.564 ( -0.000 0.000 12.350) 12.350 5.879 ( 0.000 -0.000 -7.133) 7.133 8.729 ( -0.000 0.000 1.364) 1.364 8.785 ( 0.000 -0.000 -2.039) 2.039 8.871 ( -0.000 0.000 0.672) 0.672 8.898 ( 0.000 -0.000 -0.899) 0.899 8.944 ( -0.000 0.000 1.393) 1.393 8.971 ( 0.000 -0.000 -0.378) 0.378 9.057 ( -0.000 0.000 1.015) 1.015 9.089 ( 0.000 -0.000 -0.790) 0.790 9.131 ( -0.000 0.000 1.216) 1.216 9.174 ( 0.000 -0.000 -1.243) 1.243 9.240 ( -0.000 0.000 0.290) 0.290 9.255 ( 0.000 -0.000 -0.370) 0.370 9.281 ( -0.000 0.000 1.841) 1.841 9.341 ( 0.000 -0.000 -0.284) 0.284 9.342 ( 0.000 -0.000 -0.563) 0.563 9.378 ( 0.000 -0.000 -4.190) 4.190 9.593 ( -0.000 0.000 0.854) 0.854 9.602 ( -0.000 0.000 0.247) 0.247 9.733 ( -0.000 0.000 4.102) 4.102 9.829 ( 0.000 -0.000 -1.850) 1.850 9.917 ( -0.000 0.000 1.617) 1.617 9.982 ( 0.000 -0.000 -2.189) 2.189 10.128 ( -0.000 0.000 1.519) 1.519 10.175 ( 0.000 -0.000 -1.211) 1.211 ======================= Grid point 31 (21/125) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -3.499 -0.516 8.519) 9.224 0.707 ( -10.664 10.490 9.650) 17.801 0.952 ( -2.965 -0.042 -5.428) 6.185 1.142 ( -5.747 3.404 -14.684) 16.132 1.413 ( -1.034 4.464 33.520) 33.832 2.106 ( 0.348 -0.177 -30.487) 30.490 2.605 ( 1.423 -0.028 3.019) 3.338 2.646 ( -0.906 1.688 2.337) 3.022 3.622 ( 4.345 -9.136 1.583) 10.240 3.707 ( 1.202 -5.426 2.222) 5.985 3.869 ( -1.312 -0.621 4.637) 4.859 3.921 ( 1.737 4.661 2.556) 5.593 3.986 ( -0.209 -7.236 7.147) 10.173 4.001 ( -1.576 1.477 0.996) 2.378 4.107 ( 0.802 -1.655 -4.663) 5.012 4.335 ( 4.061 9.755 3.190) 11.038 4.436 ( -4.882 -6.766 -4.724) 9.588 4.768 ( -3.036 7.744 -10.455) 13.360 4.929 ( -0.589 0.393 2.223) 2.333 5.037 ( -0.070 -0.855 -6.057) 6.118 5.444 ( 4.891 -2.069 3.197) 6.199 5.505 ( 1.849 0.394 0.691) 2.013 5.662 ( -2.415 1.414 9.309) 9.720 5.842 ( -0.531 0.061 -7.156) 7.176 8.743 ( -0.280 0.375 1.156) 1.247 8.777 ( -0.143 0.474 -1.469) 1.550 8.859 ( 0.799 -0.642 1.028) 1.452 8.882 ( 0.865 -0.245 -1.008) 1.351 8.951 ( -0.020 -1.251 0.409) 1.316 8.988 ( -1.414 0.931 0.084) 1.695 9.049 ( 0.768 -0.713 0.432) 1.133 9.073 ( 0.493 -0.409 -0.566) 0.855 9.145 ( -0.559 -0.632 1.034) 1.335 9.187 ( -1.416 1.291 -0.912) 2.122 9.242 ( -0.071 0.096 0.313) 0.335 9.252 ( -0.057 -0.118 -0.429) 0.449 9.295 ( -0.155 0.357 2.047) 2.083 9.343 ( -0.021 0.350 -1.279) 1.326 9.346 ( -0.445 0.556 -0.222) 0.746 9.363 ( -0.428 0.636 -2.652) 2.761 9.594 ( 0.270 -0.381 0.350) 0.584 9.603 ( -0.185 -0.155 0.218) 0.325 9.732 ( 2.111 -0.982 3.369) 4.095 9.789 ( 2.486 -1.060 -1.330) 3.012 9.929 ( -0.057 0.307 1.746) 1.773 9.974 ( -0.138 0.436 -2.073) 2.123 10.136 ( 0.210 0.148 1.411) 1.434 10.165 ( 0.462 0.066 -1.253) 1.337 ======================= Grid point 32 (22/125) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( -2.959 -4.071 3.369) 6.057 0.919 ( -3.260 -1.453 9.574) 10.217 1.027 ( -7.069 5.664 -4.757) 10.231 1.260 ( -8.360 2.219 -8.847) 12.373 1.688 ( -3.299 9.847 27.590) 29.479 1.984 ( -1.675 5.780 -27.149) 27.808 2.530 ( 5.191 -5.571 0.532) 7.633 2.735 ( -3.838 6.230 1.287) 7.429 3.480 ( 2.203 -7.218 1.485) 7.692 3.622 ( 1.647 -8.468 3.145) 9.182 3.838 ( 1.848 -9.504 7.158) 12.041 3.921 ( 3.032 -0.532 -1.271) 3.331 3.958 ( 2.210 6.687 -1.484) 7.197 4.054 ( -2.056 1.376 0.477) 2.519 4.110 ( -2.783 1.620 -2.924) 4.349 4.312 ( -6.163 -7.491 -5.811) 11.308 4.461 ( 5.232 5.892 3.121) 8.475 4.840 ( 0.169 -0.207 1.710) 1.731 4.991 ( -4.271 4.810 -0.601) 6.460 5.008 ( -1.018 -0.111 -3.359) 3.511 5.317 ( 7.385 -3.963 -0.410) 8.391 5.483 ( 3.196 2.276 0.432) 3.948 5.757 ( -2.523 1.072 6.484) 7.039 5.833 ( -1.700 1.147 -5.366) 5.745 8.750 ( -0.018 0.190 0.123) 0.227 8.795 ( -1.023 1.498 0.053) 1.814 8.848 ( 0.983 -0.155 0.878) 1.327 8.862 ( 0.422 0.029 -1.087) 1.166 8.925 ( 0.468 -2.581 -0.083) 2.625 9.016 ( -0.512 0.423 1.159) 1.335 9.034 ( 0.080 -0.195 -0.971) 0.993 9.061 ( 0.282 -0.492 -0.178) 0.594 9.140 ( 0.148 -1.203 0.416) 1.281 9.224 ( -1.355 1.342 -0.239) 1.922 9.248 ( -0.146 0.269 0.225) 0.380 9.251 ( -0.225 0.078 -0.322) 0.400 9.312 ( -0.178 0.286 1.606) 1.641 9.336 ( -0.171 0.328 -1.846) 1.882 9.365 ( -0.895 1.024 0.077) 1.362 9.377 ( -0.755 1.160 -0.725) 1.563 9.580 ( 0.455 -0.860 -0.047) 0.974 9.607 ( -0.230 -0.005 0.212) 0.312 9.681 ( 3.335 -2.035 1.273) 4.108 9.730 ( 2.834 -1.235 -0.149) 3.095 9.935 ( 0.358 -0.110 0.680) 0.776 9.983 ( -0.839 1.383 -0.808) 1.808 10.139 ( 0.516 0.127 1.010) 1.141 10.151 ( 0.630 0.108 -0.988) 1.177 ======================= Grid point 33 (23/125) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -2.071 -6.230 0.000) 6.565 0.974 ( -3.043 -0.974 0.000) 3.195 1.218 ( -8.622 1.676 0.000) 8.784 1.275 ( -1.072 0.146 0.000) 1.082 1.918 ( -0.982 3.563 -0.000) 3.696 2.055 ( -3.968 13.534 -0.000) 14.104 2.339 ( 7.453 -8.349 0.000) 11.192 2.949 ( -9.513 12.938 -0.000) 16.058 3.410 ( 0.710 -3.108 0.000) 3.188 3.496 ( 2.223 -9.567 0.000) 9.822 3.733 ( 1.004 -6.905 0.000) 6.977 3.843 ( 4.745 -2.128 -0.000) 5.200 3.996 ( 0.996 4.631 -0.000) 4.737 4.108 ( -1.310 2.831 -0.000) 3.120 4.142 ( -1.279 -1.114 0.000) 1.696 4.333 ( -9.109 -8.101 0.000) 12.191 4.426 ( 6.888 4.620 -0.000) 8.294 4.785 ( 2.187 -4.805 0.000) 5.279 5.001 ( -0.530 -1.182 0.000) 1.295 5.143 ( -5.068 4.792 -0.000) 6.975 5.152 ( 7.732 -1.385 -0.000) 7.855 5.465 ( 3.398 3.641 -0.000) 4.980 5.831 ( -2.828 1.222 0.000) 3.081 5.852 ( -1.312 0.300 0.000) 1.345 8.759 ( -0.402 0.894 -0.000) 0.980 8.829 ( 0.328 -0.825 0.000) 0.888 8.834 ( -0.326 2.451 -0.000) 2.472 8.860 ( 0.157 0.289 -0.000) 0.329 8.884 ( 0.420 -2.984 0.000) 3.014 9.027 ( 0.286 -0.378 0.000) 0.474 9.028 ( -0.048 0.243 -0.000) 0.248 9.049 ( 0.033 -0.838 0.000) 0.839 9.125 ( 0.393 -0.615 0.000) 0.730 9.251 ( -0.482 0.919 -0.000) 1.038 9.254 ( -0.075 0.355 -0.000) 0.363 9.259 ( -0.545 0.349 -0.000) 0.648 9.317 ( -0.095 -0.247 0.000) 0.265 9.344 ( -0.686 0.446 -0.000) 0.818 9.397 ( -0.374 1.062 -0.000) 1.126 9.398 ( -1.355 1.377 -0.000) 1.932 9.564 ( 0.348 -0.864 0.000) 0.932 9.607 ( 1.674 0.195 -0.000) 1.685 9.616 ( 0.829 -2.007 0.000) 2.171 9.668 ( 2.929 -1.599 0.000) 3.337 9.927 ( 0.446 -0.218 -0.000) 0.497 10.016 ( -1.265 1.686 -0.000) 2.108 10.128 ( 1.046 -0.320 -0.000) 1.093 10.143 ( 0.301 0.168 -0.000) 0.344 ======================= Grid point 41 (24/125) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.000 0.000 9.687) 9.687 0.524 ( 0.000 -0.000 -1.261) 1.261 0.934 ( -0.000 0.000 3.065) 3.065 1.022 ( 0.000 -0.000 -11.974) 11.974 1.569 ( -0.000 0.000 35.110) 35.110 1.935 ( 0.000 -0.000 -33.709) 33.709 2.626 ( -0.000 0.000 3.469) 3.469 2.644 ( -0.000 0.000 0.059) 0.059 3.750 ( -0.000 0.000 0.590) 0.590 3.755 ( 0.000 -0.000 -0.501) 0.501 3.851 ( -0.000 0.000 5.051) 5.051 3.896 ( 0.000 -0.000 -2.702) 2.702 3.970 ( -0.000 0.000 5.181) 5.181 4.028 ( 0.000 -0.000 -4.414) 4.414 4.232 ( -0.000 0.000 8.903) 8.903 4.360 ( 0.000 -0.000 -14.426) 14.426 4.372 ( -0.000 0.000 20.846) 20.846 4.583 ( 0.000 -0.000 -18.694) 18.694 4.950 ( -0.000 0.000 4.980) 4.980 5.009 ( 0.000 -0.000 -6.005) 6.005 5.508 ( -0.000 0.000 2.213) 2.213 5.523 ( 0.000 -0.000 -0.586) 0.586 5.687 ( -0.000 0.000 10.771) 10.771 5.793 ( 0.000 -0.000 -9.054) 9.054 8.746 ( -0.000 0.000 1.634) 1.634 8.764 ( 0.000 -0.000 -1.862) 1.862 8.879 ( -0.000 0.000 0.847) 0.847 8.888 ( 0.000 -0.000 -0.934) 0.934 8.957 ( -0.000 0.000 1.008) 1.008 8.966 ( 0.000 -0.000 -0.647) 0.647 9.068 ( -0.000 0.000 1.073) 1.073 9.079 ( 0.000 -0.000 -0.989) 0.989 9.145 ( -0.000 0.000 1.387) 1.387 9.160 ( 0.000 -0.000 -1.393) 1.393 9.244 ( -0.000 0.000 0.485) 0.485 9.250 ( 0.000 -0.000 -0.542) 0.542 9.305 ( -0.000 0.000 2.656) 2.656 9.337 ( 0.000 -0.000 -3.479) 3.479 9.338 ( 0.000 -0.000 -0.127) 0.127 9.339 ( 0.000 -0.000 -0.173) 0.173 9.600 ( -0.000 0.000 0.504) 0.504 9.603 ( 0.000 -0.000 -0.084) 0.084 9.773 ( -0.000 0.000 3.413) 3.413 9.805 ( 0.000 -0.000 -2.637) 2.637 9.936 ( -0.000 0.000 2.019) 2.019 9.959 ( 0.000 -0.000 -2.212) 2.212 10.145 ( -0.000 0.000 1.538) 1.538 10.161 ( 0.000 -0.000 -1.438) 1.438 ======================= Grid point 42 (25/125) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( -2.570 -1.402 0.000) 2.927 0.754 ( -12.311 14.106 -0.000) 18.723 0.955 ( -1.122 -3.024 0.000) 3.225 1.027 ( -6.560 3.511 -0.000) 7.440 1.756 ( 0.477 1.891 -0.000) 1.950 1.778 ( -0.849 2.980 -0.000) 3.099 2.622 ( 1.691 -1.479 0.000) 2.246 2.659 ( -1.057 2.223 -0.000) 2.461 3.631 ( 3.653 -9.674 0.000) 10.340 3.718 ( -0.558 -6.311 0.000) 6.336 3.903 ( 1.452 5.797 -0.000) 5.976 3.927 ( 1.710 4.381 -0.000) 4.703 4.013 ( -1.367 -0.048 0.000) 1.368 4.027 ( -3.116 1.403 0.000) 3.418 4.089 ( 6.298 -12.522 0.000) 14.017 4.289 ( -4.098 -5.609 0.000) 6.946 4.481 ( 3.501 4.718 -0.000) 5.875 4.684 ( -7.024 12.343 -0.000) 14.201 4.963 ( 0.439 -1.689 0.000) 1.745 4.986 ( -0.778 0.093 0.000) 0.783 5.462 ( 4.752 -3.064 0.000) 5.655 5.508 ( 2.012 1.079 -0.000) 2.283 5.752 ( -1.165 0.107 0.000) 1.170 5.763 ( -1.648 1.192 -0.000) 2.034 8.753 ( 0.167 -0.092 0.000) 0.191 8.766 ( -0.645 1.046 -0.000) 1.229 8.868 ( 0.756 -0.562 0.000) 0.942 8.873 ( 0.904 -0.375 -0.000) 0.979 8.953 ( 0.111 -1.479 0.000) 1.483 8.989 ( -1.519 1.272 -0.000) 1.981 9.052 ( 0.994 -1.178 0.000) 1.541 9.069 ( 0.390 -0.144 -0.000) 0.416 9.152 ( -0.306 -0.760 0.000) 0.819 9.181 ( -1.718 1.477 -0.000) 2.266 9.246 ( -0.030 -0.022 0.000) 0.037 9.247 ( -0.077 0.007 0.000) 0.077 9.319 ( 0.151 0.119 -0.000) 0.192 9.320 ( -0.060 0.279 -0.000) 0.285 9.345 ( -0.498 0.559 -0.000) 0.749 9.351 ( -0.690 0.985 -0.000) 1.202 9.596 ( 0.310 -0.663 0.000) 0.732 9.604 ( -0.200 -0.004 0.000) 0.200 9.757 ( 2.692 -1.639 0.000) 3.152 9.774 ( 1.748 -0.330 -0.000) 1.779 9.944 ( 0.261 -0.114 -0.000) 0.284 9.956 ( -0.475 0.868 -0.000) 0.989 10.150 ( 0.375 0.084 -0.000) 0.384 10.151 ( 0.316 0.111 -0.000) 0.335 ======================= Grid point 86 (26/125) ======================= q-point: ( 0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( -0.000 16.410 -0.000) 16.410 0.376 ( -0.000 15.403 -0.000) 15.403 0.568 ( -0.000 22.699 -0.000) 22.699 1.255 ( -0.000 7.390 -0.000) 7.390 1.604 ( -0.000 9.680 -0.000) 9.680 2.271 ( 0.000 -6.054 0.000) 6.054 2.519 ( 0.000 -2.112 0.000) 2.112 3.167 ( -0.000 5.581 -0.000) 5.581 3.187 ( 0.000 -15.466 0.000) 15.466 3.589 ( 0.000 -8.462 0.000) 8.462 3.640 ( 0.000 -8.675 0.000) 8.675 3.761 ( 0.000 -4.066 0.000) 4.066 3.762 ( 0.000 -0.297 0.000) 0.297 4.132 ( -0.000 8.792 -0.000) 8.792 4.192 ( -0.000 16.678 -0.000) 16.678 4.273 ( 0.000 -0.125 0.000) 0.125 4.744 ( 0.000 -6.431 0.000) 6.431 4.948 ( 0.000 -8.075 0.000) 8.075 4.948 ( 0.000 -3.736 0.000) 3.736 5.214 ( 0.000 -3.167 0.000) 3.167 5.391 ( -0.000 2.420 -0.000) 2.420 5.422 ( -0.000 12.698 -0.000) 12.698 5.452 ( -0.000 1.193 -0.000) 1.193 5.974 ( 0.000 -1.490 0.000) 1.490 8.724 ( -0.000 1.564 -0.000) 1.564 8.765 ( 0.000 -1.952 0.000) 1.952 8.880 ( -0.000 2.223 -0.000) 2.223 8.912 ( 0.000 -0.284 0.000) 0.284 8.924 ( 0.000 -0.841 0.000) 0.841 8.958 ( 0.000 -1.424 0.000) 1.424 9.047 ( -0.000 0.627 -0.000) 0.627 9.091 ( 0.000 -0.723 0.000) 0.723 9.103 ( 0.000 -0.675 0.000) 0.675 9.229 ( -0.000 2.467 -0.000) 2.467 9.243 ( -0.000 0.566 -0.000) 0.566 9.258 ( 0.000 -0.085 0.000) 0.085 9.261 ( -0.000 0.604 -0.000) 0.604 9.358 ( -0.000 0.886 -0.000) 0.886 9.362 ( -0.000 0.156 -0.000) 0.156 9.494 ( 0.000 -0.326 0.000) 0.326 9.580 ( 0.000 -1.022 0.000) 1.022 9.608 ( 0.000 -0.724 0.000) 0.724 9.666 ( 0.000 -0.934 0.000) 0.934 9.726 ( 0.000 -2.533 0.000) 2.533 9.896 ( -0.000 0.941 -0.000) 0.941 10.031 ( -0.000 0.137 -0.000) 0.137 10.100 ( -0.000 0.444 -0.000) 0.444 10.197 ( -0.000 0.015 -0.000) 0.015 ======================= Grid point 87 (27/125) ======================= q-point: ( 0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 4.576 18.902 -0.283) 19.450 0.581 ( -2.901 13.790 0.801) 14.114 0.841 ( -1.992 13.366 11.037) 17.448 1.332 ( 2.161 9.709 -3.187) 10.445 1.825 ( -11.888 14.259 -10.560) 21.357 2.214 ( -0.206 -6.059 7.215) 9.424 2.470 ( 2.000 -5.250 2.001) 5.964 2.970 ( 2.217 -11.173 -7.344) 13.552 3.249 ( 0.804 3.669 5.491) 6.653 3.418 ( 4.394 -6.239 -0.509) 7.648 3.628 ( -7.081 -9.528 -3.854) 12.481 3.695 ( 0.216 -3.984 4.478) 5.998 3.824 ( -5.162 -1.756 2.776) 6.119 4.212 ( 1.789 6.842 -0.882) 7.127 4.272 ( -0.024 1.736 -1.919) 2.588 4.378 ( 2.137 15.889 4.284) 16.595 4.642 ( -0.043 -8.742 -5.095) 10.119 4.799 ( 2.455 -8.842 -4.227) 10.103 4.939 ( 0.775 -2.478 4.578) 5.263 5.159 ( 0.655 -4.193 -1.966) 4.677 5.406 ( 0.631 0.228 0.452) 0.809 5.465 ( 0.535 0.451 2.518) 2.614 5.573 ( -1.432 11.708 -0.419) 11.802 5.960 ( 0.049 -0.086 -0.865) 0.870 8.747 ( -0.238 -0.279 -0.087) 0.377 8.753 ( -0.668 0.797 0.670) 1.237 8.879 ( 1.526 1.352 -0.624) 2.132 8.905 ( 0.906 -0.777 0.073) 1.195 8.925 ( -0.791 -0.245 -0.754) 1.120 8.951 ( -0.824 -1.268 1.200) 1.931 9.049 ( 0.362 0.518 -0.488) 0.798 9.085 ( -0.461 -0.657 -0.554) 0.976 9.092 ( 0.381 -1.004 0.944) 1.430 9.251 ( -0.047 0.446 -0.100) 0.459 9.257 ( -0.404 0.807 -0.646) 1.110 9.260 ( -0.072 1.493 -0.168) 1.504 9.273 ( -0.215 1.186 0.597) 1.345 9.369 ( -0.303 0.682 0.056) 0.748 9.375 ( -0.621 1.030 0.005) 1.203 9.479 ( 0.509 -0.324 -2.208) 2.289 9.571 ( -0.007 -1.180 0.684) 1.364 9.596 ( 0.601 -0.950 1.648) 1.995 9.636 ( 0.814 -1.128 -3.251) 3.536 9.683 ( 2.149 -2.735 3.405) 4.868 9.910 ( 0.001 1.194 0.332) 1.240 10.032 ( -0.127 0.358 -0.495) 0.623 10.109 ( -0.264 0.253 0.332) 0.493 10.190 ( 0.679 -0.233 -0.218) 0.750 ======================= Grid point 88 (28/125) ======================= q-point: ( 0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 7.349 22.015 -1.820) 23.281 0.752 ( -2.923 9.306 -2.725) 10.128 1.074 ( -1.181 10.514 18.525) 21.334 1.405 ( -1.459 10.126 -5.422) 11.578 1.940 ( -2.928 -2.653 -18.349) 18.770 2.202 ( 4.739 -6.823 0.472) 8.321 2.492 ( -5.963 2.483 19.500) 20.542 2.832 ( -1.669 -2.326 -6.034) 6.678 3.274 ( 1.232 2.755 -2.873) 4.166 3.363 ( -1.733 -0.730 1.221) 2.242 3.596 ( -4.176 -6.698 -3.763) 8.744 3.704 ( -3.929 -6.004 5.574) 9.086 3.907 ( -5.316 -2.062 5.227) 7.735 4.186 ( 4.335 -1.453 -3.357) 5.672 4.285 ( 2.525 3.262 -1.841) 4.517 4.484 ( 2.088 -0.201 -2.443) 3.220 4.546 ( 1.476 5.788 -2.082) 6.326 4.665 ( 1.590 -5.722 2.657) 6.506 4.908 ( 1.492 -2.233 0.005) 2.686 5.092 ( 0.322 -3.964 -1.802) 4.366 5.386 ( 0.694 -1.604 -0.209) 1.760 5.466 ( 1.339 -0.971 4.556) 4.847 5.714 ( -1.700 9.271 -1.392) 9.528 5.960 ( 0.355 1.153 -1.203) 1.704 8.748 ( -0.693 -0.398 0.471) 0.927 8.784 ( -0.617 1.617 0.274) 1.753 8.870 ( 0.821 0.627 -0.258) 1.065 8.876 ( 1.635 -0.469 0.253) 1.720 8.920 ( -0.369 -0.477 -1.891) 1.985 8.964 ( -0.717 -0.604 1.795) 2.025 9.040 ( 0.384 -0.368 -1.277) 1.384 9.077 ( 0.379 -0.656 0.673) 1.014 9.090 ( -0.441 -0.127 0.602) 0.757 9.252 ( -0.456 -0.511 -0.161) 0.704 9.267 ( 0.012 0.818 -0.391) 0.907 9.273 ( 0.071 0.949 -0.085) 0.956 9.300 ( -0.286 1.945 0.222) 1.978 9.382 ( -0.443 0.441 -0.145) 0.641 9.393 ( 0.035 0.959 -0.313) 1.009 9.461 ( -0.329 0.543 -2.454) 2.535 9.556 ( 1.261 -1.100 2.051) 2.646 9.582 ( 0.370 -2.179 -0.991) 2.422 9.598 ( 0.444 -0.227 0.123) 0.513 9.639 ( 1.646 -2.372 2.124) 3.584 9.922 ( 0.343 1.070 0.393) 1.191 10.041 ( -0.619 0.805 -0.657) 1.209 10.113 ( 0.155 -0.320 0.442) 0.567 10.170 ( 0.971 -0.484 -0.323) 1.132 ======================= Grid point 89 (29/125) ======================= q-point: ( 0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 10.521 21.683 -5.113) 24.637 0.855 ( 0.352 7.242 -2.021) 7.527 1.296 ( -1.157 7.875 14.196) 16.275 1.556 ( -5.749 8.932 -5.247) 11.848 1.815 ( 2.149 -3.461 -5.225) 6.626 1.974 ( 6.409 -9.076 -6.299) 12.772 2.614 ( 0.710 -8.202 21.572) 23.090 2.978 ( -8.552 11.251 -10.218) 17.439 3.307 ( -4.160 3.127 -3.858) 6.479 3.389 ( -1.212 -2.182 0.760) 2.609 3.591 ( -4.735 -2.543 -1.891) 5.698 3.713 ( -0.779 -4.229 3.763) 5.714 3.995 ( -3.708 -4.046 5.070) 7.472 4.018 ( 3.205 -7.074 -0.495) 7.782 4.241 ( 2.885 0.504 -3.986) 4.947 4.408 ( 0.657 -4.111 -4.344) 6.017 4.583 ( -1.086 3.463 -2.954) 4.679 4.674 ( 4.935 7.461 4.016) 9.806 4.860 ( 0.362 -1.138 -0.638) 1.354 5.051 ( -0.312 -2.327 -0.108) 2.350 5.353 ( -0.201 -2.740 -1.083) 2.953 5.456 ( 1.876 -1.461 6.638) 7.051 5.809 ( -0.516 5.641 -2.545) 6.210 5.952 ( 1.168 0.602 -1.192) 1.774 8.764 ( -1.160 -0.029 0.712) 1.362 8.802 ( 0.301 0.381 0.078) 0.491 8.843 ( 0.802 -0.588 -0.434) 1.085 8.878 ( 0.561 1.746 0.333) 1.864 8.906 ( 0.458 -0.222 -1.134) 1.243 8.977 ( -0.883 -0.668 1.026) 1.510 9.022 ( 0.080 -0.483 -1.084) 1.189 9.070 ( 0.335 -0.319 0.508) 0.687 9.103 ( -0.331 0.501 0.625) 0.867 9.253 ( -0.638 -0.676 0.080) 0.933 9.268 ( 0.512 0.508 -0.054) 0.723 9.279 ( 0.215 0.466 -0.164) 0.539 9.321 ( 0.152 1.367 -0.105) 1.379 9.381 ( 0.290 -0.114 -1.277) 1.315 9.397 ( 0.229 0.583 0.376) 0.730 9.478 ( -1.180 1.224 -1.644) 2.365 9.524 ( 1.569 -1.609 1.096) 2.501 9.554 ( 0.031 -1.009 0.131) 1.017 9.597 ( 0.664 -0.696 0.436) 1.057 9.611 ( -0.288 -0.864 1.056) 1.395 9.927 ( 0.638 0.910 0.217) 1.133 10.061 ( -0.962 0.948 -0.590) 1.474 10.099 ( 0.814 -1.126 0.497) 1.476 10.150 ( 0.605 -0.473 -0.278) 0.817 ======================= Grid point 90 (30/125) ======================= q-point: (-0.44 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.764 ( 11.250 19.381 -7.176) 23.530 0.875 ( 4.652 5.258 -2.753) 7.542 1.345 ( -0.062 -3.869 -10.181) 10.892 1.590 ( 8.632 -2.036 6.936) 11.259 1.782 ( 0.663 1.389 8.276) 8.417 1.970 ( -7.845 12.938 -2.925) 15.411 2.613 ( 0.796 -8.545 19.800) 21.580 3.038 ( 1.470 -1.040 -16.814) 16.911 3.251 ( 0.880 -9.398 -0.902) 9.482 3.417 ( -1.248 -0.029 -3.510) 3.725 3.655 ( -2.019 0.929 -1.599) 2.738 3.765 ( -6.228 7.625 4.195) 10.702 3.910 ( -3.038 -8.046 3.215) 9.182 4.096 ( -4.357 -1.631 6.504) 7.996 4.175 ( 1.917 -1.055 -5.027) 5.483 4.328 ( 1.561 -2.786 -3.344) 4.624 4.635 ( -0.603 5.185 -4.570) 6.937 4.656 ( 2.134 2.590 -4.272) 5.432 4.898 ( 0.492 5.441 5.544) 7.783 5.048 ( -0.947 -0.611 1.725) 2.060 5.325 ( -1.355 -2.948 -1.557) 3.599 5.443 ( 2.136 -2.439 8.013) 8.644 5.813 ( 2.453 0.818 -4.585) 5.264 5.937 ( 0.680 0.349 -0.315) 0.827 8.778 ( -0.298 -1.431 0.100) 1.465 8.791 ( 0.107 0.106 0.665) 0.682 8.836 ( 0.477 0.754 -0.990) 1.333 8.876 ( 0.556 0.050 -0.602) 0.821 8.911 ( 0.282 1.879 1.351) 2.331 8.981 ( -0.755 -0.959 -0.828) 1.475 9.023 ( -0.621 0.272 -0.022) 0.678 9.065 ( 0.064 -0.304 0.206) 0.373 9.116 ( 0.055 1.060 0.338) 1.114 9.256 ( -0.439 -0.712 0.406) 0.930 9.264 ( 0.544 0.153 0.238) 0.613 9.275 ( 0.461 0.034 0.032) 0.464 9.323 ( 0.655 0.513 -0.725) 1.103 9.371 ( 0.162 0.127 -0.436) 0.482 9.398 ( 0.419 0.045 0.549) 0.692 9.470 ( 1.391 -1.573 1.328) 2.485 9.520 ( -1.507 0.825 -2.247) 2.829 9.551 ( -0.488 -0.481 -0.208) 0.716 9.585 ( -0.157 -0.360 0.519) 0.650 9.626 ( -0.831 0.608 0.481) 1.137 9.927 ( 0.652 0.893 -0.039) 1.107 10.062 ( 1.059 -1.474 0.380) 1.855 10.091 ( -0.907 0.519 -0.235) 1.071 10.139 ( 0.044 -0.485 -0.122) 0.502 ======================= Grid point 91 (31/125) ======================= q-point: (-0.33 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 11.492 16.338 -8.752) 21.808 0.792 ( 6.974 0.634 -6.449) 9.520 1.197 ( 2.757 -4.707 -15.616) 16.541 1.434 ( 9.649 -0.755 5.193) 10.983 1.882 ( 4.146 1.154 19.574) 20.042 2.247 ( -7.313 13.453 -2.053) 15.449 2.605 ( 2.128 -9.317 21.035) 23.104 2.770 ( 5.258 -9.802 -12.871) 17.012 3.240 ( -4.171 2.899 -6.914) 8.579 3.384 ( -1.907 -2.259 -7.948) 8.480 3.696 ( -1.957 3.276 -3.426) 5.128 3.904 ( -3.381 -6.214 4.051) 8.152 3.967 ( -4.470 3.357 5.802) 8.057 4.096 ( -0.129 -4.322 -3.842) 5.784 4.147 ( 0.308 -1.246 1.765) 2.182 4.270 ( 2.456 -0.251 -0.441) 2.508 4.644 ( 0.029 5.700 -3.160) 6.518 4.698 ( -3.615 2.468 -5.428) 6.973 4.996 ( 1.034 7.832 5.831) 9.819 5.083 ( -1.580 0.727 3.312) 3.741 5.314 ( -2.105 -2.645 -0.955) 3.513 5.415 ( 1.874 -4.444 7.498) 8.915 5.720 ( 4.183 -1.534 -6.862) 8.181 5.931 ( 0.257 -0.375 0.657) 0.799 8.762 ( 0.237 -0.622 0.159) 0.684 8.796 ( -0.318 -0.980 0.167) 1.044 8.819 ( 0.992 0.100 -1.064) 1.459 8.881 ( -0.139 0.990 0.579) 1.156 8.937 ( 0.113 1.983 1.178) 2.309 8.977 ( -0.654 -0.480 -1.180) 1.431 9.032 ( -0.537 -0.565 -0.589) 0.977 9.068 ( -0.443 0.109 0.763) 0.889 9.128 ( 0.341 1.518 -0.444) 1.618 9.253 ( 0.146 -0.662 0.566) 0.883 9.258 ( 0.466 -0.229 0.482) 0.708 9.268 ( 0.413 -0.104 0.195) 0.468 9.306 ( 0.953 -0.181 -1.205) 1.547 9.373 ( -0.062 0.135 0.246) 0.287 9.392 ( 0.724 -0.179 1.266) 1.469 9.441 ( 1.184 -1.191 1.705) 2.393 9.540 ( -2.140 0.332 -2.967) 3.673 9.557 ( -1.039 -0.206 -0.914) 1.399 9.595 ( -0.593 0.143 0.903) 1.090 9.654 ( -1.263 1.289 -0.313) 1.831 9.925 ( 0.693 0.639 -0.429) 1.036 10.030 ( 0.901 -1.503 0.895) 1.968 10.108 ( -0.607 0.205 -0.463) 0.791 10.138 ( -0.705 -0.379 0.154) 0.815 ======================= Grid point 92 (32/125) ======================= q-point: (-0.22 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 7.965 -1.143 -10.037) 12.865 0.681 ( 11.462 12.913 -10.318) 20.114 0.973 ( 7.819 -6.601 -15.458) 18.538 1.348 ( 8.898 3.232 7.981) 12.383 1.782 ( 12.338 -9.820 15.250) 21.936 2.412 ( -0.879 6.027 -5.753) 8.378 2.550 ( -0.264 0.093 -2.047) 2.066 2.724 ( -2.546 -3.932 20.509) 21.037 3.326 ( -6.577 4.561 -11.468) 13.985 3.379 ( -5.430 -0.100 -7.133) 8.965 3.752 ( -1.517 5.855 -4.672) 7.642 3.908 ( -2.401 -4.548 3.302) 6.111 3.976 ( -3.813 -10.033 -5.415) 12.021 4.055 ( 5.331 3.108 0.454) 6.188 4.110 ( 4.164 -0.647 1.798) 4.582 4.244 ( 0.528 -0.269 3.020) 3.077 4.717 ( -2.724 3.212 -2.294) 4.796 4.766 ( -3.553 2.620 1.469) 4.653 5.091 ( 2.111 7.892 4.780) 9.465 5.141 ( -1.884 0.911 3.869) 4.398 5.299 ( 0.788 -5.521 4.179) 6.969 5.380 ( -2.004 -2.942 -0.571) 3.605 5.592 ( 4.454 -1.377 -8.494) 9.690 5.934 ( -0.569 -0.261 1.692) 1.804 8.760 ( 0.581 0.389 0.512) 0.867 8.779 ( -0.078 -1.031 -0.267) 1.068 8.813 ( -0.358 -0.029 -0.900) 0.969 8.895 ( 0.071 0.323 1.103) 1.152 8.960 ( 0.318 1.310 0.250) 1.371 8.982 ( -0.717 0.726 -0.661) 1.216 9.023 ( -0.520 -1.372 -0.801) 1.672 9.083 ( -0.412 0.165 1.213) 1.292 9.133 ( 0.432 1.250 -1.423) 1.943 9.241 ( 0.878 -0.694 0.702) 1.321 9.250 ( 0.486 -0.148 0.321) 0.601 9.263 ( 0.258 -0.087 0.150) 0.310 9.282 ( 0.862 -0.302 -1.124) 1.448 9.368 ( 0.553 -0.322 -0.015) 0.640 9.391 ( 0.837 0.065 1.812) 1.997 9.431 ( 0.049 -0.366 2.523) 2.550 9.560 ( -1.176 -0.651 -1.042) 1.701 9.568 ( -2.602 0.330 -3.620) 4.470 9.614 ( -0.416 0.380 1.615) 1.711 9.687 ( -1.815 0.969 -1.474) 2.531 9.913 ( 0.821 0.047 -0.731) 1.100 10.015 ( 0.215 -0.612 1.220) 1.382 10.108 ( -0.036 -0.279 -0.685) 0.740 10.154 ( -1.259 -0.072 0.389) 1.319 ======================= Grid point 93 (33/125) ======================= q-point: (-0.11 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 7.984 -0.000 -13.410) 15.607 0.551 ( 13.626 -0.000 -7.007) 15.322 0.642 ( 13.726 -0.000 -15.340) 20.585 1.273 ( 7.781 0.000 6.343) 10.039 1.599 ( 9.649 0.000 9.722) 13.698 2.400 ( 0.544 -0.000 -7.167) 7.187 2.556 ( -0.247 -0.000 -2.371) 2.383 2.877 ( -2.462 0.000 25.827) 25.944 3.387 ( -7.593 -0.000 -16.777) 18.416 3.479 ( -8.396 -0.000 -2.567) 8.780 3.794 ( -0.338 -0.000 -6.649) 6.657 3.908 ( -3.467 -0.000 -1.385) 3.733 3.933 ( 1.135 0.000 2.243) 2.514 3.987 ( 3.529 -0.000 -2.452) 4.298 4.010 ( 7.895 0.000 0.604) 7.918 4.264 ( -0.153 0.000 3.297) 3.300 4.763 ( -2.892 -0.000 -2.355) 3.730 4.870 ( -3.139 0.000 9.173) 9.695 5.138 ( 4.010 0.000 7.787) 8.758 5.194 ( -1.960 0.000 2.058) 2.842 5.232 ( 0.730 -0.000 -1.738) 1.885 5.404 ( -3.208 -0.000 -3.229) 4.552 5.471 ( 4.144 -0.000 -7.627) 8.680 5.959 ( -1.284 0.000 1.946) 2.331 8.746 ( 1.263 0.000 0.643) 1.418 8.793 ( -1.579 0.000 0.408) 1.630 8.812 ( -0.545 -0.000 -1.446) 1.545 8.900 ( 0.068 0.000 0.818) 0.821 8.953 ( 1.104 -0.000 -0.558) 1.237 9.002 ( -0.446 0.000 0.272) 0.522 9.019 ( -0.965 -0.000 -0.530) 1.101 9.095 ( -0.191 0.000 1.191) 1.206 9.125 ( 0.454 -0.000 -1.711) 1.770 9.221 ( 1.326 0.000 0.476) 1.409 9.243 ( 0.376 0.000 0.130) 0.398 9.260 ( 0.139 0.000 0.037) 0.144 9.264 ( 0.521 -0.000 -0.638) 0.824 9.357 ( 0.567 0.000 0.074) 0.571 9.380 ( 1.268 0.000 0.968) 1.595 9.455 ( -0.887 0.000 3.377) 3.492 9.563 ( -0.665 -0.000 -0.850) 1.079 9.594 ( -2.617 -0.000 -3.619) 4.466 9.629 ( 0.238 0.000 2.608) 2.618 9.712 ( -2.395 -0.000 -3.584) 4.311 9.898 ( 0.602 -0.000 -0.640) 0.879 10.019 ( -0.133 0.000 1.106) 1.114 10.101 ( 0.088 -0.000 -0.745) 0.751 10.175 ( -1.103 0.000 0.378) 1.166 ======================= Grid point 94 (34/125) ======================= q-point: ( 0.00 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( 9.371 0.000 -0.000) 9.371 0.512 ( 14.027 0.000 -0.000) 14.027 0.571 ( 16.513 0.000 -0.000) 16.513 1.308 ( 7.870 0.000 -0.000) 7.870 1.655 ( 9.946 0.000 -0.000) 9.946 2.357 ( 0.477 0.000 -0.000) 0.477 2.543 ( -0.111 -0.000 0.000) 0.111 3.083 ( -0.709 -0.000 0.000) 0.709 3.228 ( -9.368 -0.000 0.000) 9.368 3.465 ( -8.676 -0.000 0.000) 8.676 3.757 ( -0.291 -0.000 0.000) 0.291 3.901 ( -3.927 -0.000 0.000) 3.927 3.959 ( 6.297 0.000 -0.000) 6.297 3.961 ( -1.424 -0.000 0.000) 1.424 4.013 ( 8.570 0.000 -0.000) 8.570 4.283 ( 0.091 0.000 -0.000) 0.091 4.750 ( -3.314 -0.000 0.000) 3.314 4.925 ( -6.677 -0.000 0.000) 6.677 5.179 ( 0.282 0.000 -0.000) 0.282 5.185 ( 4.322 0.000 -0.000) 4.322 5.251 ( 1.973 0.000 -0.000) 1.973 5.382 ( -3.353 -0.000 0.000) 3.353 5.422 ( 3.749 0.000 -0.000) 3.749 5.970 ( -1.488 -0.000 0.000) 1.488 8.751 ( 1.033 0.000 -0.000) 1.033 8.795 ( -1.753 -0.000 0.000) 1.753 8.803 ( -0.119 -0.000 0.000) 0.119 8.904 ( 0.130 0.000 -0.000) 0.130 8.950 ( 1.267 0.000 -0.000) 1.267 9.004 ( -0.715 -0.000 0.000) 0.715 9.016 ( -1.039 -0.000 0.000) 1.039 9.104 ( -0.373 -0.000 0.000) 0.373 9.113 ( 0.668 0.000 -0.000) 0.668 9.224 ( 1.344 0.000 -0.000) 1.344 9.244 ( 0.460 0.000 -0.000) 0.460 9.260 ( 0.149 0.000 -0.000) 0.149 9.261 ( 0.428 0.000 -0.000) 0.428 9.357 ( 0.547 0.000 -0.000) 0.547 9.386 ( 1.394 0.000 -0.000) 1.394 9.477 ( -1.106 -0.000 0.000) 1.106 9.558 ( -0.732 -0.000 0.000) 0.732 9.571 ( -2.519 -0.000 0.000) 2.519 9.659 ( -1.016 -0.000 0.000) 1.016 9.676 ( -0.372 -0.000 0.000) 0.372 9.894 ( 0.639 0.000 -0.000) 0.639 10.025 ( -0.186 -0.000 0.000) 0.186 10.097 ( 0.155 0.000 -0.000) 0.155 10.177 ( -1.131 -0.000 0.000) 1.131 ======================= Grid point 96 (35/125) ======================= q-point: ( 0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -0.000 15.110 4.423) 15.744 0.405 ( -0.000 12.754 6.774) 14.442 0.698 ( -0.000 19.816 21.535) 29.265 1.220 ( 0.000 7.340 -6.240) 9.634 1.539 ( 0.000 8.275 -11.312) 14.016 2.310 ( -0.000 -5.562 6.020) 8.196 2.534 ( -0.000 -2.172 2.667) 3.440 2.958 ( 0.000 1.171 -21.057) 21.090 3.374 ( -0.000 -10.314 17.194) 20.050 3.593 ( 0.000 -9.135 0.410) 9.144 3.617 ( 0.000 -9.138 -3.090) 9.647 3.774 ( -0.000 -3.114 2.598) 4.055 3.793 ( -0.000 0.256 4.811) 4.818 4.128 ( -0.000 8.579 -0.881) 8.625 4.208 ( -0.000 11.667 1.474) 11.759 4.282 ( -0.000 5.097 2.900) 5.865 4.705 ( 0.000 -9.136 -9.693) 13.320 4.840 ( 0.000 -2.600 -6.251) 6.770 5.029 ( -0.000 -4.650 3.683) 5.932 5.186 ( 0.000 -2.649 -4.756) 5.444 5.410 ( -0.000 1.587 2.968) 3.365 5.428 ( -0.000 10.847 1.639) 10.970 5.478 ( -0.000 1.176 4.262) 4.421 5.963 ( 0.000 -1.334 -2.213) 2.584 8.726 ( -0.000 1.530 0.480) 1.604 8.773 ( 0.000 -2.476 1.218) 2.759 8.868 ( 0.000 1.853 -1.664) 2.491 8.908 ( 0.000 -0.404 -0.632) 0.750 8.935 ( -0.000 -0.210 1.508) 1.522 8.959 ( 0.000 -1.249 0.299) 1.285 9.045 ( -0.000 0.321 -0.166) 0.361 9.084 ( 0.000 -0.756 -0.977) 1.235 9.108 ( -0.000 -0.401 0.951) 1.032 9.224 ( -0.000 2.296 -0.873) 2.457 9.243 ( -0.000 0.545 -0.031) 0.546 9.255 ( 0.000 -0.056 -0.251) 0.257 9.266 ( -0.000 0.626 0.729) 0.961 9.357 ( -0.000 0.890 -0.137) 0.900 9.363 ( -0.000 0.290 0.084) 0.302 9.470 ( 0.000 -0.201 -3.743) 3.749 9.583 ( 0.000 -0.976 0.360) 1.040 9.627 ( 0.000 0.593 -3.898) 3.942 9.630 ( -0.000 -0.887 3.633) 3.740 9.765 ( -0.000 -3.990 3.859) 5.550 9.900 ( -0.000 0.877 0.785) 1.177 10.025 ( 0.000 0.212 -1.115) 1.135 10.105 ( -0.000 0.381 0.831) 0.914 10.194 ( 0.000 0.021 -0.485) 0.485 ======================= Grid point 97 (36/125) ======================= q-point: ( 0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.521 ( 5.049 16.789 3.720) 17.922 0.616 ( -2.513 9.054 5.830) 11.058 1.027 ( -1.190 13.665 21.933) 25.869 1.268 ( 1.670 9.389 -8.432) 12.730 1.663 ( -10.189 9.813 -17.474) 22.483 2.297 ( -0.706 -2.662 5.759) 6.384 2.508 ( 0.395 -3.835 4.454) 5.891 2.855 ( 1.539 -0.968 -12.158) 12.293 3.332 ( 2.641 -6.272 8.836) 11.153 3.414 ( 2.985 -6.798 0.272) 7.429 3.590 ( -6.131 -9.598 -2.848) 11.740 3.755 ( -0.557 -3.321 6.564) 7.377 3.873 ( -4.449 -0.315 5.869) 7.371 4.192 ( 2.178 5.454 -2.862) 6.533 4.243 ( -0.247 3.140 -3.179) 4.475 4.452 ( 2.443 14.616 8.756) 17.212 4.529 ( -0.920 -9.538 -15.073) 17.861 4.772 ( 1.425 -5.245 -0.310) 5.444 4.984 ( 1.737 -4.083 2.881) 5.290 5.122 ( -0.006 -3.639 -4.635) 5.893 5.412 ( 1.647 0.215 0.371) 1.702 5.508 ( 1.348 1.834 4.178) 4.758 5.572 ( -2.507 8.576 1.190) 9.014 5.942 ( -0.129 0.208 -2.560) 2.572 8.748 ( -0.040 0.645 0.295) 0.711 8.763 ( -0.747 -0.337 1.075) 1.352 8.869 ( 0.804 1.237 -0.997) 1.781 8.900 ( 0.126 -0.266 -1.097) 1.136 8.921 ( 1.046 -0.964 0.268) 1.448 8.967 ( -1.048 -0.702 1.577) 2.019 9.043 ( 0.141 -0.255 -0.635) 0.699 9.074 ( -0.541 -0.657 -1.271) 1.529 9.108 ( 0.487 -0.329 1.818) 1.910 9.245 ( -0.499 0.840 -1.081) 1.457 9.251 ( -0.147 0.987 -0.176) 1.013 9.257 ( -0.082 0.818 -0.382) 0.906 9.281 ( -0.201 1.062 1.002) 1.474 9.369 ( -0.214 0.865 -0.098) 0.896 9.375 ( -0.469 1.001 -0.063) 1.107 9.445 ( 0.292 -0.031 -3.629) 3.641 9.577 ( -0.468 -1.191 0.431) 1.350 9.606 ( 0.606 -0.536 -2.194) 2.339 9.626 ( 1.291 -1.282 3.483) 3.929 9.717 ( 2.130 -3.353 2.605) 4.750 9.916 ( 0.076 1.114 0.886) 1.426 10.023 ( -0.190 0.500 -1.243) 1.353 10.116 ( -0.164 0.184 0.825) 0.861 10.185 ( 0.631 -0.216 -0.622) 0.912 ======================= Grid point 98 (37/125) ======================= q-point: ( 0.44 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 6.746 16.802 0.776) 18.122 0.769 ( -0.357 9.106 4.595) 10.206 1.264 ( -0.051 8.119 10.659) 13.399 1.340 ( -3.775 9.948 -1.782) 10.789 1.753 ( -3.842 1.489 -14.331) 14.912 2.218 ( 7.271 -9.061 1.762) 11.751 2.642 ( -10.260 10.843 0.450) 14.934 2.780 ( 0.669 -2.865 3.148) 4.309 3.250 ( 1.426 -3.180 -0.206) 3.491 3.382 ( -1.807 -1.962 2.069) 3.376 3.566 ( -5.326 -7.839 -1.675) 9.624 3.772 ( -1.375 -3.731 7.050) 8.094 3.975 ( -4.459 -0.311 7.306) 8.565 4.138 ( 4.262 -2.085 -5.754) 7.458 4.249 ( 1.400 0.206 -5.607) 5.783 4.389 ( -2.364 -3.506 -11.324) 12.087 4.569 ( 4.770 6.500 2.946) 8.583 4.705 ( 1.729 -0.920 4.723) 5.113 4.916 ( 2.310 -3.658 1.814) 4.691 5.070 ( -0.476 -2.806 -2.034) 3.498 5.375 ( 1.110 -1.564 -2.043) 2.803 5.520 ( 2.418 1.633 4.670) 5.506 5.703 ( -2.509 6.675 0.014) 7.131 5.941 ( -0.012 1.182 -2.533) 2.795 8.754 ( -0.570 -0.034 0.721) 0.919 8.788 ( -0.688 0.988 0.469) 1.292 8.867 ( 0.344 0.542 -0.215) 0.677 8.879 ( 1.935 -0.132 0.115) 1.943 8.900 ( -0.144 -0.360 -1.677) 1.721 8.982 ( -0.599 -0.557 1.639) 1.832 9.028 ( 0.188 -1.005 -0.778) 1.285 9.071 ( -0.589 -0.498 -1.247) 1.466 9.108 ( 0.643 0.236 1.982) 2.097 9.249 ( -0.691 -0.495 -0.232) 0.881 9.263 ( -0.004 0.909 -0.295) 0.956 9.269 ( 0.011 1.255 -0.599) 1.390 9.304 ( -0.236 1.354 0.629) 1.512 9.376 ( 0.041 0.234 -1.043) 1.070 9.391 ( -0.023 1.108 -0.112) 1.114 9.436 ( -0.810 0.978 -2.108) 2.461 9.568 ( 0.080 -1.408 -0.759) 1.602 9.577 ( 1.025 -1.484 1.137) 2.131 9.609 ( 0.861 -0.510 1.569) 1.861 9.660 ( 1.987 -2.811 1.740) 3.857 9.928 ( 0.503 0.940 0.643) 1.245 10.032 ( -0.751 0.971 -0.976) 1.568 10.119 ( 0.241 -0.362 0.695) 0.820 10.165 ( 0.875 -0.453 -0.605) 1.156 ======================= Grid point 99 (38/125) ======================= q-point: ( 0.56 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 9.023 16.201 -1.626) 18.616 0.866 ( 3.658 8.388 3.100) 9.661 1.312 ( -1.803 -2.437 -10.630) 11.053 1.568 ( -5.842 13.342 3.665) 15.019 1.776 ( -0.084 4.980 3.662) 6.182 1.973 ( 8.315 -10.262 3.844) 13.756 2.715 ( -0.934 1.499 -10.063) 10.217 2.955 ( -4.339 1.195 13.191) 13.937 3.268 ( -6.072 1.421 -2.909) 6.881 3.393 ( -1.018 -2.024 -0.096) 2.268 3.582 ( -5.638 -2.042 0.361) 6.007 3.750 ( 2.962 -4.203 2.497) 5.717 3.987 ( 0.823 -7.797 -2.253) 8.157 4.082 ( -3.458 0.477 8.078) 8.800 4.177 ( -0.302 -3.265 -8.009) 8.654 4.350 ( 1.686 0.003 -5.754) 5.996 4.548 ( -0.499 1.114 -3.569) 3.772 4.686 ( 4.393 0.544 -1.217) 4.591 4.905 ( 1.185 2.800 8.100) 8.652 5.053 ( -0.480 -0.974 0.961) 1.450 5.329 ( 0.024 -2.113 -3.424) 4.023 5.522 ( 2.833 1.463 4.957) 5.894 5.788 ( -0.840 3.211 -0.747) 3.402 5.933 ( 0.382 0.475 -2.529) 2.601 8.773 ( -1.066 -0.000 1.000) 1.462 8.802 ( 0.059 0.286 -0.022) 0.293 8.839 ( 1.336 -0.712 -0.418) 1.571 8.878 ( 0.360 0.641 -0.427) 0.850 8.897 ( 0.082 1.461 -0.355) 1.506 8.986 ( -0.322 -1.427 0.583) 1.575 9.016 ( -0.232 -0.265 -0.020) 0.353 9.066 ( -0.215 -0.380 -0.990) 1.082 9.114 ( 0.432 0.731 1.364) 1.607 9.255 ( -0.685 -0.459 0.257) 0.864 9.268 ( 0.374 0.645 0.001) 0.745 9.275 ( 0.143 0.608 -0.443) 0.766 9.319 ( 0.212 0.822 -0.181) 0.868 9.367 ( 0.111 0.088 -1.190) 1.198 9.402 ( 0.079 0.677 0.637) 0.933 9.460 ( -1.358 1.382 -1.756) 2.615 9.533 ( 1.249 -2.062 0.511) 2.464 9.559 ( 0.375 -1.000 0.665) 1.258 9.603 ( 0.708 -0.465 0.630) 1.056 9.621 ( 0.305 -1.118 0.787) 1.401 9.930 ( 0.779 0.815 0.245) 1.153 10.055 ( -1.086 1.059 -0.530) 1.607 10.105 ( 0.899 -1.140 0.477) 1.528 10.146 ( 0.446 -0.442 -0.375) 0.731 ======================= Grid point 100 (39/125) ======================= q-point: (-0.33 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( 10.398 15.000 -2.778) 18.462 0.863 ( 6.809 3.436 -0.091) 7.627 1.192 ( 0.722 -4.479 -15.594) 16.240 1.647 ( 9.993 -4.387 4.104) 11.659 1.891 ( -6.901 13.636 2.489) 15.485 2.004 ( -2.760 7.118 15.943) 17.676 2.699 ( -1.797 1.630 -11.069) 11.331 2.952 ( 5.355 -9.185 7.911) 13.252 3.240 ( 0.635 -9.812 -1.450) 9.939 3.369 ( -0.745 -3.533 -5.131) 6.274 3.640 ( -1.258 -0.692 -1.237) 1.895 3.813 ( -7.846 9.382 4.934) 13.188 3.949 ( -3.020 -5.248 3.875) 7.188 4.104 ( -2.291 -5.601 -7.561) 9.684 4.167 ( -0.767 0.365 5.297) 5.365 4.285 ( 3.121 1.885 -3.690) 5.187 4.576 ( -1.904 3.082 -6.071) 7.070 4.611 ( 0.267 -1.844 -3.241) 3.739 4.983 ( 1.633 5.867 8.171) 10.191 5.073 ( -0.332 1.200 3.675) 3.880 5.296 ( -1.293 -1.953 -3.966) 4.606 5.516 ( 2.937 0.491 5.175) 5.971 5.771 ( 2.722 -1.968 -2.870) 4.418 5.928 ( -0.502 0.370 -1.218) 1.368 8.780 ( -0.190 -1.839 0.154) 1.856 8.798 ( 0.248 0.204 0.693) 0.764 8.826 ( 0.689 0.966 -0.845) 1.457 8.869 ( 0.281 0.505 -0.576) 0.816 8.924 ( -0.131 1.986 1.123) 2.286 8.973 ( -0.380 -1.315 -0.656) 1.518 9.025 ( -0.583 -0.129 0.256) 0.650 9.062 ( -0.277 -0.001 -0.602) 0.663 9.122 ( 0.550 0.968 0.630) 1.279 9.261 ( -0.192 -0.289 0.445) 0.564 9.268 ( 0.379 0.191 0.504) 0.659 9.274 ( 0.271 0.136 -0.198) 0.362 9.314 ( 0.631 0.035 -0.928) 1.122 9.367 ( -0.294 0.289 -0.315) 0.518 9.408 ( 0.444 0.231 1.225) 1.323 9.478 ( -0.138 -0.171 -0.551) 0.593 9.500 ( -0.096 -1.014 -0.709) 1.241 9.548 ( -0.277 -0.781 -0.327) 0.890 9.594 ( 0.050 -0.073 1.019) 1.023 9.627 ( -0.568 0.663 -0.213) 0.899 9.927 ( 0.780 0.795 -0.041) 1.115 10.067 ( 0.836 -1.193 0.565) 1.563 10.088 ( -0.771 0.378 -0.431) 0.961 10.137 ( -0.103 -0.497 -0.108) 0.519 ======================= Grid point 101 (40/125) ======================= q-point: (-0.22 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 9.907 9.755 -3.525) 14.343 0.731 ( 9.359 0.038 -5.568) 10.890 1.050 ( 4.507 -2.087 -10.238) 11.379 1.490 ( 9.260 1.045 4.235) 10.236 2.095 ( 3.755 1.276 18.717) 19.133 2.231 ( -5.809 10.613 0.307) 12.103 2.592 ( 5.338 -5.112 -18.085) 19.537 2.818 ( -0.341 -4.753 16.492) 17.167 3.176 ( -2.355 -1.427 -5.846) 6.462 3.311 ( -2.697 -4.728 -5.103) 7.461 3.665 ( -1.589 2.325 -2.114) 3.522 3.940 ( -3.164 -5.054 2.656) 6.527 3.993 ( -4.781 -8.070 -1.574) 9.511 4.086 ( 1.386 5.009 2.788) 5.898 4.156 ( 1.889 1.045 -0.588) 2.238 4.266 ( 2.510 2.056 -0.091) 3.246 4.611 ( -4.030 2.778 -2.399) 5.451 4.647 ( -5.336 1.733 -3.856) 6.808 5.062 ( 1.465 6.149 4.659) 7.852 5.125 ( 0.417 3.506 5.173) 6.263 5.288 ( -3.023 -1.503 -3.490) 4.856 5.490 ( 3.244 -2.494 6.164) 7.398 5.649 ( 4.448 -4.252 -6.115) 8.676 5.934 ( -0.634 -0.347 0.102) 0.730 8.764 ( -0.057 -0.827 0.156) 0.843 8.798 ( 0.327 -0.651 0.252) 0.771 8.809 ( 0.926 0.114 -0.799) 1.228 8.886 ( -0.416 1.488 0.245) 1.565 8.950 ( 0.078 1.367 1.147) 1.786 8.967 ( -0.557 -0.288 -0.766) 0.990 9.025 ( -0.479 -1.014 -0.654) 1.298 9.073 ( -0.677 0.642 0.181) 0.951 9.125 ( 0.722 1.049 -0.071) 1.276 9.259 ( 0.358 -0.216 0.455) 0.618 9.264 ( 0.574 -0.165 0.382) 0.709 9.270 ( 0.237 -0.237 0.222) 0.402 9.294 ( 0.854 -0.434 -1.025) 1.402 9.374 ( -0.145 0.033 -0.060) 0.160 9.409 ( 0.607 0.248 1.719) 1.840 9.458 ( 0.898 -1.168 1.438) 2.059 9.508 ( -2.058 0.119 -2.883) 3.544 9.548 ( -1.060 -0.735 -0.636) 1.439 9.608 ( -0.590 0.478 1.329) 1.531 9.646 ( -0.809 1.328 -0.951) 1.823 9.921 ( 0.842 0.483 -0.260) 1.004 10.039 ( 0.783 -1.326 0.650) 1.671 10.103 ( -0.531 0.159 -0.391) 0.678 10.139 ( -0.887 -0.351 0.099) 0.959 ======================= Grid point 102 (41/125) ======================= q-point: (-0.11 0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 7.208 -5.593 -7.337) 11.707 0.616 ( 13.999 13.181 -2.786) 19.429 0.867 ( 9.504 -5.310 -4.736) 11.873 1.409 ( 8.851 4.360 3.087) 10.338 1.913 ( 14.109 -13.301 7.792) 20.897 2.347 ( -0.429 4.808 -4.696) 6.735 2.516 ( -1.463 3.242 -2.190) 4.177 2.957 ( -4.706 0.421 21.018) 21.542 3.170 ( -4.508 1.376 -16.979) 17.621 3.336 ( -6.772 -0.104 -1.720) 6.988 3.714 ( -1.021 4.652 -2.047) 5.184 3.918 ( -4.712 -10.849 -1.291) 11.898 3.951 ( -1.398 -3.236 0.622) 3.580 4.050 ( 5.725 1.257 -0.640) 5.896 4.129 ( 6.783 1.590 1.088) 7.051 4.270 ( -0.337 0.985 1.505) 1.830 4.689 ( -4.232 1.030 -1.780) 4.705 4.784 ( -7.822 3.220 1.002) 8.518 5.125 ( 2.050 7.123 1.318) 7.528 5.183 ( 0.627 3.727 3.251) 4.985 5.321 ( -3.785 -0.742 -0.481) 3.887 5.399 ( 4.123 -9.196 4.149) 10.899 5.507 ( 4.095 -1.244 -6.602) 7.868 5.946 ( -1.147 -0.153 0.571) 1.290 8.767 ( 0.095 0.264 0.690) 0.745 8.775 ( 0.558 -0.337 -0.517) 0.832 8.805 ( -0.427 -0.450 -0.407) 0.742 8.903 ( -0.028 0.474 0.389) 0.613 8.963 ( 0.636 0.568 0.237) 0.885 8.977 ( -0.810 1.240 -0.229) 1.498 9.016 ( -0.727 -1.413 -0.438) 1.648 9.092 ( -0.593 0.479 0.419) 0.870 9.122 ( 0.760 0.745 -0.572) 1.208 9.247 ( 1.009 -0.542 0.299) 1.184 9.253 ( 0.619 -0.093 0.207) 0.659 9.264 ( 0.230 -0.239 0.144) 0.362 9.272 ( 0.697 -0.276 -0.624) 0.976 9.368 ( 0.497 -0.304 -0.005) 0.583 9.406 ( 1.321 0.158 0.785) 1.545 9.456 ( -0.662 -0.234 1.794) 1.926 9.533 ( -2.710 0.212 -2.236) 3.520 9.553 ( -1.067 -0.973 -0.459) 1.515 9.633 ( -0.827 0.460 1.813) 2.045 9.668 ( -0.943 1.057 -1.784) 2.278 9.908 ( 0.905 -0.020 -0.259) 0.942 10.025 ( 0.116 -0.516 0.494) 0.724 10.103 ( 0.049 -0.343 -0.300) 0.458 10.157 ( -1.343 -0.060 0.137) 1.351 ======================= Grid point 106 (42/125) ======================= q-point: ( 0.33 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( -0.000 14.558 7.995) 16.609 0.510 ( -0.000 8.853 12.253) 15.117 0.973 ( -0.000 15.385 27.807) 31.779 1.132 ( 0.000 6.606 -9.082) 11.230 1.388 ( 0.000 5.971 -16.066) 17.140 2.353 ( 0.000 -5.845 -1.082) 5.944 2.571 ( -0.000 -2.207 3.852) 4.439 2.749 ( 0.000 6.358 -16.101) 17.311 3.541 ( -0.000 -12.193 12.317) 17.331 3.593 ( 0.000 -9.718 -0.371) 9.725 3.596 ( 0.000 -10.974 1.583) 11.088 3.819 ( -0.000 -1.646 5.717) 5.949 3.851 ( -0.000 1.564 5.885) 6.089 4.112 ( -0.000 8.142 -2.163) 8.425 4.195 ( 0.000 2.670 -3.505) 4.406 4.357 ( -0.000 14.174 10.549) 17.669 4.544 ( 0.000 -10.307 -18.256) 20.965 4.821 ( 0.000 -1.935 0.757) 2.078 5.023 ( 0.000 0.558 -4.366) 4.401 5.124 ( 0.000 -2.237 -6.467) 6.843 5.444 ( -0.000 0.348 3.195) 3.214 5.458 ( -0.000 4.965 3.351) 5.990 5.536 ( -0.000 2.208 6.703) 7.057 5.928 ( 0.000 -0.879 -4.287) 4.376 8.734 ( -0.000 1.420 0.865) 1.663 8.783 ( 0.000 -2.308 0.455) 2.353 8.854 ( 0.000 1.182 -0.810) 1.433 8.899 ( 0.000 -0.624 -1.034) 1.208 8.950 ( -0.000 0.382 1.249) 1.307 8.963 ( 0.000 -0.867 0.394) 0.952 9.044 ( 0.000 -0.285 -0.058) 0.291 9.073 ( 0.000 -1.109 -1.018) 1.505 9.122 ( -0.000 0.120 1.539) 1.544 9.212 ( 0.000 1.945 -1.295) 2.337 9.242 ( -0.000 0.475 0.001) 0.475 9.253 ( 0.000 -0.190 -0.206) 0.280 9.276 ( -0.000 0.784 1.116) 1.364 9.355 ( -0.000 0.896 -0.247) 0.929 9.362 ( -0.000 0.731 -0.305) 0.792 9.426 ( 0.000 0.061 -4.239) 4.239 9.587 ( 0.000 -0.944 0.416) 1.031 9.600 ( 0.000 0.436 -1.353) 1.422 9.674 ( -0.000 -1.151 4.192) 4.347 9.791 ( 0.000 -3.709 1.152) 3.884 9.911 ( -0.000 0.828 1.241) 1.492 10.009 ( 0.000 0.356 -1.750) 1.786 10.117 ( -0.000 0.270 1.252) 1.280 10.187 ( 0.000 0.022 -0.881) 0.881 ======================= Grid point 107 (43/125) ======================= q-point: ( 0.44 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.589 ( 6.399 14.274 8.628) 17.864 0.700 ( -2.379 5.607 9.767) 11.510 1.160 ( 0.881 9.007 -11.159) 14.367 1.268 ( 0.012 8.787 18.819) 20.769 1.491 ( -10.405 10.872 -10.734) 18.484 2.299 ( -0.928 -0.124 -6.821) 6.885 2.544 ( 1.374 -3.431 1.668) 4.055 2.751 ( -0.587 4.349 -5.944) 7.388 3.404 ( 4.289 -8.846 2.934) 10.260 3.451 ( 1.157 -9.490 7.615) 12.222 3.578 ( -5.797 -10.309 1.721) 11.951 3.833 ( 0.019 -1.808 7.936) 8.139 3.942 ( -3.646 1.495 6.898) 7.944 4.150 ( 2.666 3.420 -5.130) 6.717 4.203 ( -0.557 3.575 -4.666) 5.904 4.343 ( -2.347 -9.637 -18.480) 20.974 4.556 ( 3.627 13.438 9.921) 17.093 4.784 ( 0.889 -4.280 2.304) 4.941 4.996 ( 1.121 -2.436 -0.640) 2.757 5.067 ( -1.116 -2.381 -5.416) 6.021 5.410 ( 3.713 0.132 -0.774) 3.795 5.527 ( 0.509 4.080 0.113) 4.113 5.621 ( -2.206 2.961 7.182) 8.076 5.906 ( -0.457 0.708 -4.155) 4.240 8.753 ( 0.174 0.790 0.442) 0.922 8.774 ( -0.887 -0.536 0.990) 1.433 8.860 ( 0.330 1.138 -0.649) 1.351 8.886 ( -0.017 -0.396 -1.370) 1.426 8.926 ( 1.917 -0.801 0.458) 2.128 8.983 ( -1.171 -0.424 1.376) 1.856 9.037 ( -0.071 -0.758 -0.412) 0.866 9.060 ( -0.529 -0.841 -1.366) 1.689 9.128 ( 0.697 0.195 1.917) 2.050 9.232 ( -0.875 1.158 -1.339) 1.975 9.250 ( -0.121 0.752 -0.093) 0.767 9.253 ( -0.106 0.388 -0.289) 0.495 9.294 ( -0.127 1.014 1.288) 1.644 9.366 ( -0.092 0.818 -0.555) 0.993 9.373 ( -0.190 1.183 -0.286) 1.232 9.408 ( -0.174 0.467 -3.069) 3.109 9.579 ( -0.102 -1.159 -0.136) 1.171 9.592 ( -0.019 -0.535 -0.379) 0.656 9.663 ( 1.722 -1.701 3.332) 4.118 9.737 ( 1.937 -3.357 1.092) 4.027 9.928 ( 0.214 0.989 1.225) 1.589 10.007 ( -0.328 0.709 -1.594) 1.775 10.126 ( -0.009 0.091 1.097) 1.101 10.177 ( 0.550 -0.186 -0.951) 1.114 ======================= Grid point 108 (44/125) ======================= q-point: ( 0.56 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 8.655 14.134 5.232) 17.379 0.835 ( 0.300 7.086 7.416) 10.261 1.206 ( -4.275 3.378 -10.075) 11.454 1.385 ( -1.884 5.883 -3.684) 7.193 1.723 ( -3.116 9.023 11.675) 15.080 2.229 ( 6.241 -6.313 -0.380) 8.886 2.520 ( -2.172 6.132 -16.106) 17.370 2.867 ( -8.452 6.216 6.786) 12.495 3.290 ( 2.679 -7.114 7.406) 10.613 3.401 ( -1.536 -4.351 1.311) 4.797 3.568 ( -5.017 -8.186 2.565) 9.938 3.848 ( 1.194 -2.361 6.749) 7.249 4.056 ( -0.730 -3.618 -2.052) 4.223 4.059 ( -0.454 0.446 0.179) 0.661 4.157 ( -1.652 -4.759 -10.390) 11.547 4.290 ( -1.803 3.301 -7.147) 8.077 4.589 ( 6.401 1.608 0.901) 6.661 4.750 ( 2.593 -1.054 3.013) 4.112 4.950 ( 0.410 -2.070 3.946) 4.475 5.058 ( -1.327 -0.905 0.658) 1.736 5.340 ( 2.960 -0.027 -4.655) 5.517 5.549 ( 2.567 4.111 0.782) 4.909 5.728 ( -2.813 2.761 4.599) 6.057 5.906 ( -0.481 1.138 -3.924) 4.114 8.762 ( -0.390 0.626 0.625) 0.967 8.794 ( -0.874 -0.073 0.525) 1.023 8.865 ( 0.052 0.639 -0.140) 0.656 8.876 ( 0.818 0.176 -0.717) 1.102 8.887 ( 1.432 -0.237 -0.526) 1.544 8.998 ( -0.556 -0.644 1.402) 1.640 9.023 ( 0.029 -1.279 -0.232) 1.300 9.056 ( -0.734 -0.455 -1.575) 1.796 9.127 ( 1.009 0.531 1.589) 1.956 9.247 ( -1.028 -0.213 -0.270) 1.084 9.260 ( -0.048 0.863 -0.212) 0.890 9.262 ( -0.092 1.145 -0.541) 1.270 9.312 ( 0.020 0.897 0.810) 1.209 9.361 ( 0.332 0.284 -1.536) 1.597 9.391 ( -0.371 1.210 0.201) 1.282 9.418 ( -0.962 1.283 -1.397) 2.127 9.560 ( 0.330 -1.246 -0.480) 1.375 9.588 ( -0.204 -1.280 0.763) 1.504 9.626 ( 2.006 -1.174 1.466) 2.748 9.675 ( 2.053 -2.827 1.050) 3.648 9.935 ( 0.743 0.759 0.640) 1.240 10.022 ( -0.982 1.188 -0.893) 1.782 10.127 ( 0.407 -0.424 0.812) 1.003 10.158 ( 0.711 -0.398 -0.791) 1.136 ======================= Grid point 109 (45/125) ======================= q-point: ( 0.67 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 11.042 15.466 1.929) 19.101 0.916 ( 2.960 4.504 6.546) 8.479 1.163 ( -1.041 -5.641 -14.942) 16.005 1.559 ( -8.168 14.461 -2.838) 16.849 1.872 ( 5.793 0.695 7.993) 9.896 2.064 ( 3.001 -2.256 14.953) 15.417 2.523 ( -1.519 6.619 -21.728) 22.764 3.126 ( -5.524 -2.206 13.084) 14.372 3.256 ( -3.512 -1.061 1.944) 4.152 3.382 ( 0.149 -2.918 -2.369) 3.761 3.602 ( -5.680 -0.950 3.640) 6.812 3.750 ( 4.644 -5.721 -3.273) 8.063 3.972 ( -2.832 -4.847 0.244) 5.619 4.083 ( -2.823 -5.930 -8.544) 10.777 4.168 ( -1.960 1.991 7.707) 8.197 4.295 ( 2.581 2.915 -4.648) 6.063 4.508 ( 1.409 -0.048 -3.581) 3.849 4.671 ( 3.008 -4.258 -1.095) 5.327 4.983 ( -0.321 2.057 4.420) 4.885 5.090 ( 0.343 1.334 7.026) 7.160 5.277 ( 1.286 0.229 -6.578) 6.706 5.553 ( 3.174 3.830 1.129) 5.101 5.801 ( -0.705 0.114 3.087) 3.169 5.899 ( -0.619 0.441 -3.764) 3.840 8.784 ( -0.901 0.220 1.029) 1.385 8.801 ( -0.338 -0.022 -0.327) 0.471 8.835 ( 1.715 -0.963 -0.246) 1.982 8.871 ( 0.458 0.206 -0.685) 0.850 8.897 ( -0.220 2.507 0.156) 2.521 8.989 ( 0.037 -2.017 0.042) 2.018 9.022 ( -0.462 -0.156 1.051) 1.159 9.052 ( -0.428 -0.223 -1.476) 1.553 9.127 ( 0.860 0.836 0.934) 1.520 9.259 ( -0.670 -0.145 0.392) 0.790 9.268 ( 0.053 0.675 -0.143) 0.692 9.270 ( 0.089 0.660 -0.327) 0.742 9.316 ( 0.431 0.244 -0.332) 0.596 9.358 ( -0.130 0.382 -0.542) 0.676 9.411 ( -0.171 0.811 0.985) 1.287 9.441 ( -1.160 1.234 -1.669) 2.378 9.536 ( 0.656 -1.733 0.182) 1.862 9.566 ( 0.893 -1.598 0.559) 1.914 9.609 ( 0.327 -0.102 0.502) 0.608 9.627 ( 1.114 -1.401 0.328) 1.820 9.932 ( 0.913 0.726 0.159) 1.178 10.051 ( -1.251 1.184 -0.300) 1.748 10.109 ( 1.086 -1.191 0.316) 1.642 10.143 ( 0.234 -0.398 -0.298) 0.549 ======================= Grid point 110 (46/125) ======================= q-point: (-0.22 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 12.398 15.695 0.547) 20.009 0.870 ( 5.228 -6.229 1.083) 8.204 1.055 ( 1.666 0.890 -8.345) 8.556 1.680 ( 10.311 -4.699 1.812) 11.475 1.881 ( -9.827 16.165 -1.293) 18.962 2.234 ( -1.053 5.758 23.614) 24.329 2.490 ( -0.819 5.130 -23.094) 23.671 3.090 ( 6.801 -11.771 12.558) 18.507 3.208 ( 1.119 -8.938 -5.244) 10.423 3.319 ( -2.435 -5.697 -3.196) 6.971 3.630 ( -0.971 -1.691 -0.449) 2.001 3.869 ( -8.568 11.867 4.685) 15.368 3.983 ( -3.200 -3.058 2.092) 4.896 4.020 ( -5.067 -8.686 -6.595) 12.025 4.192 ( 3.789 0.141 -0.258) 3.801 4.276 ( 3.099 5.025 1.329) 6.052 4.521 ( -3.470 1.584 -3.372) 5.091 4.590 ( -0.461 -3.973 -0.864) 4.092 5.034 ( -0.830 2.557 1.624) 3.141 5.142 ( 3.190 4.902 8.054) 9.953 5.239 ( -1.759 -0.946 -6.344) 6.651 5.549 ( 3.216 3.068 1.255) 4.619 5.755 ( 3.134 -5.199 -0.403) 6.084 5.915 ( -1.545 0.576 -0.785) 1.827 8.781 ( -0.176 -2.081 0.075) 2.090 8.805 ( 0.552 0.012 0.444) 0.708 8.819 ( 0.638 1.259 -0.477) 1.490 8.864 ( 0.102 0.832 -0.246) 0.874 8.933 ( -0.446 2.195 0.459) 2.287 8.968 ( -0.147 -1.508 -0.255) 1.537 9.028 ( -0.369 -0.916 0.248) 1.018 9.055 ( -0.528 0.616 -0.480) 0.943 9.127 ( 0.826 0.902 0.301) 1.260 9.265 ( 0.165 0.176 0.333) 0.412 9.271 ( 0.276 0.156 -0.235) 0.394 9.274 ( -0.093 0.122 0.351) 0.383 9.305 ( 0.584 -0.306 -0.557) 0.863 9.365 ( -0.415 0.361 -0.094) 0.558 9.422 ( 0.448 0.500 1.137) 1.320 9.462 ( -1.430 0.427 -1.451) 2.082 9.502 ( 1.018 -2.000 0.389) 2.277 9.545 ( -0.109 -0.975 -0.195) 1.000 9.604 ( 0.088 0.033 0.817) 0.822 9.622 ( -0.339 0.724 -0.515) 0.951 9.927 ( 0.863 0.734 -0.018) 1.133 10.073 ( 0.900 -1.240 0.538) 1.624 10.083 ( -0.877 0.514 -0.484) 1.126 10.137 ( -0.211 -0.505 -0.042) 0.549 ======================= Grid point 111 (47/125) ======================= q-point: (-0.11 0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 13.451 14.385 -0.000) 19.694 0.685 ( 6.057 -8.752 0.000) 10.643 0.995 ( 5.349 0.042 -0.000) 5.350 1.513 ( 9.173 1.752 -0.000) 9.339 2.184 ( -6.408 12.873 -0.000) 14.380 2.304 ( 9.291 -9.625 0.000) 13.378 2.433 ( -0.380 5.158 -0.000) 5.172 2.925 ( -0.433 -2.203 0.000) 2.245 3.129 ( -0.794 -5.171 0.000) 5.232 3.284 ( -3.433 -5.363 0.000) 6.368 3.653 ( -1.400 1.929 -0.000) 2.383 3.964 ( -5.938 -12.136 0.000) 13.511 3.967 ( -1.464 -3.159 0.000) 3.482 4.121 ( 5.360 1.308 -0.000) 5.517 4.137 ( -2.012 8.466 -0.000) 8.702 4.267 ( 3.197 2.277 -0.000) 3.925 4.598 ( -4.817 1.311 0.000) 4.992 4.625 ( -6.663 1.599 0.000) 6.852 5.084 ( -0.143 3.907 -0.000) 3.909 5.170 ( 4.434 7.054 -0.000) 8.332 5.258 ( -4.884 -2.107 0.000) 5.319 5.532 ( 3.284 1.766 -0.000) 3.728 5.607 ( 4.772 -8.921 0.000) 10.117 5.934 ( -1.003 -0.310 0.000) 1.050 8.765 ( -0.216 -0.939 0.000) 0.964 8.801 ( 1.768 -0.101 -0.000) 1.771 8.803 ( -0.245 -0.271 0.000) 0.365 8.887 ( -0.519 1.646 -0.000) 1.726 8.959 ( -0.015 1.322 -0.000) 1.323 8.960 ( -0.428 -0.275 0.000) 0.509 9.021 ( -0.476 -1.295 0.000) 1.380 9.074 ( -0.728 0.877 -0.000) 1.140 9.125 ( 0.852 0.855 -0.000) 1.207 9.262 ( 0.465 -0.026 -0.000) 0.466 9.264 ( 0.548 -0.036 -0.000) 0.549 9.273 ( 0.201 -0.377 0.000) 0.427 9.287 ( 0.809 -0.571 0.000) 0.990 9.373 ( -0.157 0.026 0.000) 0.159 9.421 ( 0.789 0.491 -0.000) 0.929 9.469 ( 0.669 -1.308 0.000) 1.469 9.487 ( -2.116 0.043 0.000) 2.116 9.545 ( -1.075 -0.880 0.000) 1.389 9.618 ( -0.847 0.509 -0.000) 0.988 9.639 ( -0.399 1.411 -0.000) 1.467 9.920 ( 0.895 0.431 -0.000) 0.993 10.043 ( 0.748 -1.272 0.000) 1.476 10.101 ( -0.515 0.149 0.000) 0.536 10.140 ( -0.950 -0.341 0.000) 1.009 ======================= Grid point 114 (48/125) ======================= q-point: ( 0.22 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 10.820 0.000 8.568) 13.802 0.652 ( 13.122 0.000 11.364) 17.359 0.895 ( 6.557 0.000 29.330) 30.054 1.181 ( 7.435 -0.000 -10.594) 12.943 1.468 ( 9.197 -0.000 -14.079) 16.817 2.488 ( 0.343 0.000 8.546) 8.553 2.561 ( -2.253 -0.000 -16.441) 16.595 2.611 ( -0.198 -0.000 -9.237) 9.239 3.519 ( -7.508 0.000 4.934) 8.984 3.537 ( -6.849 0.000 11.563) 13.439 3.858 ( -1.629 0.000 1.087) 1.958 3.929 ( -1.716 0.000 2.132) 2.737 3.945 ( -0.631 0.000 7.861) 7.887 4.002 ( 4.974 0.000 -0.436) 4.993 4.014 ( 4.391 0.000 2.820) 5.219 4.218 ( -0.423 -0.000 -5.210) 5.227 4.755 ( 1.689 -0.000 -11.418) 11.542 4.794 ( -1.883 0.000 2.987) 3.531 5.037 ( 4.123 -0.000 -10.474) 11.257 5.138 ( -0.563 -0.000 -6.188) 6.213 5.286 ( -4.225 0.000 6.026) 7.360 5.435 ( -3.570 0.000 2.207) 4.197 5.562 ( 4.288 0.000 8.957) 9.931 5.929 ( -0.673 -0.000 -3.725) 3.785 8.743 ( 1.232 0.000 0.052) 1.233 8.787 ( -1.118 -0.000 -0.749) 1.346 8.828 ( -0.886 0.000 1.311) 1.582 8.889 ( -0.174 -0.000 -1.194) 1.207 8.961 ( 0.858 0.000 0.887) 1.234 8.999 ( -0.002 -0.000 -0.311) 0.311 9.027 ( -0.862 0.000 0.782) 1.164 9.081 ( -0.322 -0.000 -1.421) 1.457 9.144 ( 0.617 0.000 1.832) 1.933 9.214 ( 1.287 -0.000 -0.835) 1.535 9.242 ( 0.257 -0.000 -0.084) 0.271 9.259 ( 0.105 -0.000 -0.197) 0.223 9.274 ( 0.634 0.000 1.169) 1.330 9.356 ( 0.632 -0.000 -0.131) 0.646 9.367 ( 0.960 -0.000 -1.361) 1.666 9.416 ( -0.332 -0.000 -3.648) 3.663 9.574 ( -0.564 0.000 1.173) 1.302 9.610 ( 0.161 -0.000 -1.059) 1.071 9.636 ( -2.802 0.000 4.104) 4.969 9.741 ( -3.339 0.000 1.632) 3.716 9.907 ( 0.526 0.000 1.170) 1.283 10.003 ( -0.023 -0.000 -1.728) 1.728 10.111 ( -0.061 0.000 1.078) 1.080 10.169 ( -1.020 -0.000 -0.711) 1.243 ======================= Grid point 116 (49/125) ======================= q-point: ( 0.44 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( -0.000 14.280 10.526) 17.740 0.653 ( -0.000 8.588 14.059) 16.474 0.998 ( 0.000 6.959 -11.676) 13.593 1.210 ( 0.000 3.866 -17.097) 17.529 1.310 ( -0.000 9.723 31.019) 32.507 2.233 ( 0.000 -2.135 -20.740) 20.849 2.611 ( -0.000 -1.861 3.427) 3.900 2.657 ( -0.000 5.414 -2.213) 5.849 3.569 ( 0.000 -10.204 -0.044) 10.204 3.587 ( 0.000 -9.935 -0.702) 9.959 3.726 ( -0.000 -13.596 16.062) 21.043 3.891 ( -0.000 -0.347 7.539) 7.547 3.916 ( -0.000 2.544 6.247) 6.745 4.081 ( -0.000 7.544 -3.659) 8.385 4.143 ( 0.000 1.047 -5.925) 6.017 4.339 ( 0.000 -11.376 -19.769) 22.809 4.488 ( -0.000 14.819 13.476) 20.030 4.830 ( 0.000 -0.554 -0.559) 0.787 4.958 ( 0.000 4.305 -6.123) 7.485 5.054 ( 0.000 -2.175 -6.588) 6.938 5.474 ( -0.000 -0.693 2.355) 2.455 5.487 ( -0.000 0.125 1.915) 1.919 5.619 ( -0.000 2.770 8.581) 9.017 5.872 ( 0.000 -0.156 -6.114) 6.116 8.744 ( -0.000 1.207 1.117) 1.645 8.781 ( 0.000 -0.920 -0.759) 1.193 8.852 ( -0.000 -0.005 0.465) 0.465 8.887 ( 0.000 -0.798 -1.221) 1.459 8.961 ( -0.000 0.555 0.805) 0.978 8.967 ( -0.000 -0.423 0.288) 0.512 9.045 ( 0.000 -0.863 0.213) 0.889 9.063 ( 0.000 -1.457 -0.857) 1.690 9.140 ( -0.000 0.596 1.810) 1.905 9.197 ( 0.000 1.607 -1.576) 2.251 9.243 ( -0.000 0.346 0.109) 0.362 9.251 ( 0.000 -0.206 -0.257) 0.329 9.290 ( -0.000 0.786 1.657) 1.834 9.351 ( 0.000 0.834 -0.466) 0.956 9.358 ( -0.000 1.094 -0.359) 1.152 9.384 ( 0.000 0.441 -3.608) 3.635 9.591 ( 0.000 -0.906 0.322) 0.961 9.593 ( 0.000 -0.204 -0.155) 0.256 9.716 ( -0.000 -1.447 3.751) 4.020 9.793 ( 0.000 -2.916 -0.666) 2.991 9.926 ( -0.000 0.813 1.598) 1.793 9.989 ( 0.000 0.501 -2.033) 2.094 10.131 ( -0.000 0.176 1.429) 1.440 10.176 ( 0.000 0.030 -1.192) 1.192 ======================= Grid point 117 (50/125) ======================= q-point: ( 0.56 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 9.222 15.242 9.493) 20.186 0.816 ( -1.990 1.574 11.300) 11.581 1.040 ( -1.828 6.963 -10.741) 12.930 1.245 ( -6.384 4.954 -13.432) 15.675 1.620 ( -3.529 12.768 25.317) 28.574 2.148 ( -1.659 5.378 -20.173) 20.943 2.554 ( 4.946 -4.582 0.713) 6.780 2.724 ( -4.111 3.784 -0.519) 5.611 3.424 ( 2.074 -7.083 1.332) 7.499 3.502 ( -1.036 -10.517 1.349) 10.653 3.665 ( -0.851 -12.018 13.946) 18.429 3.919 ( 1.133 -0.266 7.788) 7.874 4.017 ( -2.950 3.114 6.770) 8.014 4.074 ( 2.499 -1.560 -10.811) 11.206 4.126 ( -1.591 -4.071 -10.361) 11.245 4.176 ( -3.535 0.592 -9.583) 10.231 4.649 ( 6.254 9.677 6.808) 13.383 4.818 ( 0.307 -2.462 3.753) 4.499 4.979 ( -0.803 -0.808 -2.006) 2.307 5.011 ( -2.599 0.950 -5.061) 5.768 5.398 ( 5.905 -0.995 -1.052) 6.080 5.527 ( -0.545 2.072 -0.010) 2.143 5.703 ( -1.433 1.967 7.634) 8.013 5.854 ( -0.921 1.297 -5.506) 5.731 8.757 ( 0.350 0.655 0.316) 0.807 8.782 ( -1.108 -0.145 0.560) 1.250 8.857 ( 0.173 0.694 0.042) 0.717 8.872 ( 0.067 -0.304 -1.197) 1.236 8.930 ( 2.244 -0.664 0.265) 2.355 8.996 ( -1.469 -0.250 0.993) 1.790 9.033 ( -0.031 -0.774 -0.375) 0.861 9.047 ( -0.424 -1.324 -0.849) 1.629 9.147 ( 1.127 0.579 1.448) 1.924 9.218 ( -1.393 1.098 -1.125) 2.101 9.249 ( -0.126 0.577 -0.051) 0.593 9.251 ( -0.134 0.274 -0.140) 0.336 9.309 ( 0.022 0.880 1.670) 1.888 9.353 ( 0.305 0.543 -1.897) 1.996 9.370 ( -0.245 1.353 -0.144) 1.383 9.385 ( -0.689 1.154 -1.213) 1.810 9.577 ( 0.371 -1.048 -0.160) 1.124 9.592 ( -0.574 -0.799 0.183) 1.001 9.694 ( 2.212 -2.174 2.361) 3.898 9.742 ( 1.499 -2.970 -0.103) 3.328 9.941 ( 0.493 0.795 1.257) 1.567 9.990 ( -0.622 0.973 -1.490) 1.885 10.139 ( 0.161 -0.002 1.240) 1.250 10.165 ( 0.442 -0.140 -1.173) 1.261 ======================= Grid point 118 (51/125) ======================= q-point: ( 0.67 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( 12.520 15.605 3.516) 20.313 0.914 ( -1.262 3.511 6.177) 7.216 1.106 ( -5.871 -1.757 -7.175) 9.436 1.313 ( -3.062 7.767 -5.401) 9.944 1.906 ( -0.934 8.370 16.864) 18.850 2.183 ( -1.015 8.070 -8.730) 11.932 2.378 ( 5.547 -5.412 -7.299) 10.646 2.906 ( -10.977 7.954 1.285) 13.617 3.367 ( 0.737 -4.202 4.857) 6.465 3.407 ( -0.410 -7.694 -0.200) 7.708 3.627 ( -1.688 -8.199 7.346) 11.137 3.870 ( 2.885 -6.931 -5.870) 9.530 3.978 ( -2.052 -3.161 0.605) 3.817 4.063 ( -1.954 -4.385 -6.709) 8.250 4.142 ( -2.845 3.147 7.675) 8.769 4.219 ( -1.826 4.378 -6.754) 8.254 4.593 ( 8.016 0.273 0.110) 8.021 4.768 ( 2.835 -4.480 0.679) 5.345 4.976 ( -1.174 -0.468 0.835) 1.515 5.090 ( -3.984 1.373 3.807) 5.679 5.286 ( 6.472 1.678 -4.197) 7.894 5.549 ( 1.829 3.917 -0.194) 4.327 5.786 ( -2.238 1.521 5.354) 5.999 5.859 ( -0.877 0.947 -4.578) 4.757 8.767 ( -0.239 1.226 0.240) 1.272 8.798 ( -1.103 -1.076 0.271) 1.565 8.864 ( -0.076 0.717 -0.047) 0.722 8.868 ( 0.139 0.459 -0.516) 0.704 8.886 ( 2.423 -0.108 -0.005) 2.426 9.010 ( -0.446 -1.358 0.622) 1.558 9.025 ( -0.206 -0.570 0.642) 0.883 9.039 ( -0.713 -0.621 -1.425) 1.710 9.139 ( 1.273 0.733 0.628) 1.597 9.244 ( -1.345 0.187 -0.186) 1.371 9.258 ( -0.094 0.658 -0.122) 0.676 9.259 ( -0.129 0.925 -0.112) 0.940 9.320 ( 0.488 0.426 0.574) 0.865 9.347 ( -0.006 0.649 -0.895) 1.105 9.394 ( -0.748 1.356 0.366) 1.591 9.406 ( -0.684 1.290 -0.765) 1.648 9.557 ( 0.335 -1.164 -0.118) 1.217 9.593 ( -0.591 -1.202 0.257) 1.363 9.637 ( 2.572 -1.655 0.570) 3.111 9.683 ( 2.006 -2.682 0.337) 3.366 9.940 ( 0.970 0.601 0.286) 1.176 10.015 ( -1.213 1.370 -0.380) 1.869 10.135 ( 0.702 -0.549 0.679) 1.120 10.149 ( 0.425 -0.276 -0.681) 0.849 ======================= Grid point 119 (52/125) ======================= q-point: ( 0.78 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 12.849 16.683 -0.000) 21.057 0.997 ( -0.527 4.289 -0.000) 4.321 1.033 ( 1.683 -9.071 0.000) 9.226 1.541 ( -9.174 15.055 -0.000) 17.630 1.910 ( 8.896 -4.549 0.000) 9.992 2.249 ( -1.132 1.970 -0.000) 2.272 2.308 ( -0.189 8.690 -0.000) 8.692 3.184 ( -11.041 1.045 0.000) 11.090 3.306 ( 0.231 -4.304 0.000) 4.310 3.348 ( 2.879 -4.111 0.000) 5.019 3.644 ( -4.943 2.576 -0.000) 5.574 3.703 ( 2.433 -9.351 0.000) 9.662 3.988 ( -1.490 -1.954 0.000) 2.457 4.022 ( -4.656 -8.185 0.000) 9.417 4.235 ( -0.134 0.285 -0.000) 0.315 4.247 ( 1.105 6.051 -0.000) 6.151 4.486 ( 2.698 -0.681 -0.000) 2.783 4.665 ( 2.372 -5.655 0.000) 6.132 5.001 ( -1.194 1.027 -0.000) 1.575 5.173 ( -4.533 -1.922 0.000) 4.924 5.203 ( 7.234 5.844 -0.000) 9.300 5.557 ( 3.033 4.311 -0.000) 5.271 5.833 ( 1.156 -2.188 0.000) 2.475 5.865 ( -2.630 1.673 -0.000) 3.117 8.793 ( -0.497 2.055 -0.000) 2.114 8.796 ( -0.869 -1.917 0.000) 2.105 8.834 ( 1.848 -1.103 0.000) 2.152 8.867 ( 0.534 0.326 -0.000) 0.625 8.898 ( -0.311 2.685 -0.000) 2.703 8.989 ( 0.108 -2.150 0.000) 2.153 9.034 ( -0.517 -0.940 0.000) 1.073 9.038 ( -0.451 0.577 -0.000) 0.733 9.133 ( 1.007 0.887 -0.000) 1.342 9.263 ( -0.945 -0.006 0.000) 0.945 9.264 ( 0.139 0.542 -0.000) 0.559 9.270 ( 0.087 0.812 -0.000) 0.817 9.314 ( 0.551 -0.019 -0.000) 0.552 9.355 ( -0.223 0.518 -0.000) 0.563 9.421 ( -0.047 0.962 -0.000) 0.963 9.428 ( -1.292 1.056 -0.000) 1.669 9.537 ( 0.473 -1.564 0.000) 1.634 9.569 ( 1.061 -1.871 0.000) 2.151 9.612 ( -0.019 0.126 -0.000) 0.127 9.628 ( 1.597 -1.577 0.000) 2.245 9.933 ( 0.970 0.690 -0.000) 1.190 10.049 ( -1.326 1.237 -0.000) 1.813 10.111 ( 1.204 -1.223 0.000) 1.716 10.141 ( 0.113 -0.370 0.000) 0.386 ======================= Grid point 124 (53/125) ======================= q-point: ( 0.22 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 11.548 6.040 7.973) 15.278 0.821 ( 7.540 8.879 14.298) 18.442 1.172 ( 4.179 -3.950 15.206) 16.257 1.263 ( 9.379 -0.914 -1.858) 9.605 1.610 ( 11.368 -7.818 -16.327) 21.376 2.378 ( -0.119 1.732 -21.435) 21.505 2.495 ( -4.161 3.637 0.426) 5.543 2.654 ( 1.673 -7.252 3.436) 8.197 3.417 ( -5.845 4.396 7.423) 10.421 3.489 ( -4.686 2.347 11.638) 12.763 3.803 ( -2.528 4.401 3.681) 6.270 3.870 ( -3.097 -2.940 -2.679) 5.041 3.997 ( -0.136 1.572 -5.369) 5.596 4.063 ( 0.201 -5.259 5.039) 7.286 4.108 ( 0.751 -3.915 1.380) 4.219 4.213 ( 2.001 -1.628 -2.613) 3.672 4.697 ( 3.493 7.917 -4.600) 9.800 4.788 ( -1.848 0.667 4.244) 4.676 5.040 ( 1.767 2.682 -4.215) 5.299 5.093 ( -1.055 0.229 -5.348) 5.456 5.263 ( -1.791 -3.049 -2.101) 4.113 5.386 ( -4.284 -1.940 0.150) 4.705 5.681 ( 4.208 -0.891 7.938) 9.028 5.910 ( 0.433 -0.417 -2.800) 2.863 8.756 ( 0.535 0.448 -0.213) 0.729 8.781 ( -0.116 -1.506 0.151) 1.518 8.823 ( -0.354 0.182 1.027) 1.101 8.880 ( 0.095 0.116 -1.490) 1.497 8.958 ( 0.102 2.235 -0.036) 2.238 8.991 ( -0.568 0.092 1.034) 1.184 9.031 ( -0.369 -1.260 0.565) 1.430 9.068 ( -0.346 -0.048 -1.522) 1.562 9.149 ( 0.222 1.779 1.482) 2.326 9.233 ( 0.728 -1.013 -0.817) 1.491 9.247 ( 0.360 -0.156 -0.146) 0.418 9.260 ( 0.242 -0.086 -0.358) 0.441 9.295 ( 0.974 -0.205 1.401) 1.719 9.368 ( 0.508 -0.173 -0.450) 0.700 9.371 ( 0.659 -0.182 -1.474) 1.625 9.406 ( 0.767 -0.528 -2.111) 2.307 9.571 ( -0.968 -0.269 0.861) 1.323 9.601 ( -0.608 0.103 -0.779) 0.994 9.607 ( -2.697 0.662 3.634) 4.574 9.697 ( -2.378 0.826 0.344) 2.541 9.923 ( 0.665 0.222 1.070) 1.279 10.000 ( 0.384 -0.820 -1.517) 1.766 10.116 ( -0.193 -0.189 0.789) 0.834 10.149 ( -1.091 -0.097 -0.579) 1.239 ======================= Grid point 125 (54/125) ======================= q-point: ( 0.33 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.631 ( 11.579 0.000 9.807) 15.174 0.781 ( 13.863 0.000 12.141) 18.428 1.060 ( 6.170 -0.000 -11.158) 12.750 1.216 ( 3.796 0.000 25.136) 25.421 1.322 ( 7.944 -0.000 -8.168) 11.394 2.260 ( -1.461 -0.000 -30.606) 30.640 2.569 ( -0.174 0.000 6.294) 6.296 2.624 ( -0.524 0.000 2.056) 2.122 3.581 ( -6.119 0.000 6.458) 8.897 3.640 ( -4.488 0.000 7.916) 9.100 3.837 ( -3.513 -0.000 -2.785) 4.483 3.930 ( 1.823 -0.000 -2.668) 3.231 4.020 ( -1.180 0.000 4.244) 4.405 4.026 ( 3.216 0.000 3.461) 4.725 4.078 ( -2.517 0.000 9.648) 9.971 4.161 ( -0.164 -0.000 -4.941) 4.944 4.647 ( 5.933 -0.000 -7.685) 9.709 4.801 ( 1.088 -0.000 -4.058) 4.201 4.945 ( 3.023 -0.000 -4.167) 5.148 5.072 ( -0.325 -0.000 -6.000) 6.009 5.348 ( -5.710 0.000 5.428) 7.878 5.447 ( -4.333 -0.000 -0.031) 4.333 5.656 ( 3.763 0.000 8.564) 9.354 5.881 ( 0.302 -0.000 -5.245) 5.253 8.747 ( 0.933 0.000 0.657) 1.141 8.778 ( -0.524 -0.000 -0.981) 1.112 8.840 ( -0.961 0.000 1.095) 1.457 8.875 ( -0.509 -0.000 -1.220) 1.322 8.971 ( 0.727 0.000 0.978) 1.219 8.995 ( 0.366 -0.000 -0.440) 0.572 9.035 ( -0.851 0.000 0.835) 1.192 9.067 ( -0.607 -0.000 -1.271) 1.409 9.163 ( 0.892 0.000 1.575) 1.810 9.204 ( 1.245 -0.000 -1.070) 1.642 9.242 ( 0.156 0.000 0.137) 0.208 9.255 ( 0.063 -0.000 -0.425) 0.429 9.289 ( 0.637 0.000 1.651) 1.769 9.352 ( 0.486 -0.000 -1.524) 1.600 9.354 ( 0.738 0.000 -0.080) 0.743 9.381 ( 0.440 -0.000 -2.811) 2.845 9.586 ( -0.495 0.000 1.020) 1.134 9.603 ( -0.161 -0.000 -0.357) 0.392 9.678 ( -2.961 0.000 3.671) 4.716 9.748 ( -3.428 -0.000 -0.229) 3.435 9.922 ( 0.442 0.000 1.581) 1.642 9.983 ( 0.099 -0.000 -1.991) 1.994 10.124 ( -0.254 0.000 1.177) 1.204 10.160 ( -0.881 -0.000 -0.965) 1.307 ======================= Grid point 127 (55/125) ======================= q-point: ( 0.56 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -0.000 15.012 11.512) 18.918 0.771 ( -0.000 16.727 1.921) 16.837 0.907 ( 0.000 -1.385 0.999) 1.708 1.031 ( -0.000 1.377 -16.054) 16.113 1.642 ( 0.000 6.664 30.975) 31.683 1.962 ( -0.000 3.063 -28.551) 28.715 2.640 ( -0.000 -0.722 1.959) 2.088 2.651 ( -0.000 1.586 -0.248) 1.606 3.572 ( -0.000 -10.206 0.526) 10.220 3.579 ( 0.000 -10.085 -0.714) 10.110 3.905 ( -0.000 -9.819 16.917) 19.560 3.973 ( -0.000 0.518 7.141) 7.160 3.981 ( -0.000 1.973 5.710) 6.042 4.032 ( -0.000 6.467 -5.987) 8.813 4.075 ( -0.000 -0.218 -6.016) 6.020 4.134 ( 0.000 -12.719 -17.646) 21.752 4.635 ( -0.000 12.738 13.660) 18.677 4.769 ( 0.000 8.039 -10.618) 13.318 4.940 ( 0.000 -0.294 2.650) 2.666 4.987 ( 0.000 -1.959 -5.657) 5.986 5.493 ( -0.000 -1.387 1.162) 1.809 5.498 ( 0.000 -1.390 0.244) 1.411 5.712 ( -0.000 1.878 8.605) 8.808 5.799 ( 0.000 0.789 -7.609) 7.650 8.757 ( -0.000 0.842 1.247) 1.504 8.770 ( 0.000 0.211 -1.219) 1.237 8.861 ( -0.000 -0.697 1.062) 1.271 8.873 ( 0.000 -0.862 -1.239) 1.510 8.967 ( 0.000 0.385 0.363) 0.529 8.969 ( -0.000 0.019 0.021) 0.028 9.049 ( -0.000 -1.299 0.492) 1.389 9.055 ( 0.000 -1.520 -0.701) 1.674 9.160 ( -0.000 0.978 1.868) 2.108 9.179 ( 0.000 1.300 -1.776) 2.201 9.245 ( -0.000 0.154 0.237) 0.283 9.248 ( -0.000 -0.061 -0.297) 0.303 9.311 ( -0.000 0.630 2.310) 2.394 9.338 ( 0.000 0.429 -2.386) 2.424 9.355 ( 0.000 1.228 -0.074) 1.230 9.358 ( 0.000 1.173 -0.863) 1.456 9.593 ( -0.422 -0.747 0.090) 0.862 9.593 ( 0.422 -0.683 0.078) 0.807 9.752 ( 0.000 -1.805 2.950) 3.459 9.778 ( -0.000 -2.275 -1.937) 2.988 9.945 ( -0.000 0.744 1.909) 2.049 9.966 ( 0.000 0.633 -2.073) 2.167 10.147 ( 0.000 0.106 1.474) 1.478 10.162 ( -0.000 0.058 -1.396) 1.397 ======================= Grid point 128 (56/125) ======================= q-point: ( 0.67 0.44 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.755 ( 13.300 18.160 -0.000) 22.509 0.898 ( -0.489 -1.541 0.000) 1.617 0.966 ( -5.983 3.396 -0.000) 6.879 1.149 ( -8.691 7.807 -0.000) 11.682 1.881 ( -0.673 6.434 -0.000) 6.469 1.915 ( -3.406 12.451 -0.000) 12.908 2.558 ( 6.026 -5.034 0.000) 7.852 2.722 ( -5.279 2.967 -0.000) 6.056 3.432 ( 1.499 -6.769 0.000) 6.933 3.507 ( -2.212 -10.385 0.000) 10.618 3.793 ( 4.097 -11.508 0.000) 12.216 3.937 ( -1.330 -7.842 0.000) 7.954 3.989 ( 1.085 0.925 -0.000) 1.426 4.057 ( -2.089 -3.874 0.000) 4.401 4.088 ( -4.274 2.275 -0.000) 4.842 4.104 ( -1.091 5.746 -0.000) 5.849 4.687 ( 8.143 6.622 -0.000) 10.496 4.846 ( 0.390 -1.233 0.000) 1.294 4.967 ( -1.499 -1.333 0.000) 2.006 4.975 ( -4.539 4.783 -0.000) 6.594 5.392 ( 6.836 -1.890 -0.000) 7.093 5.527 ( -0.824 1.219 -0.000) 1.471 5.766 ( -0.483 1.291 -0.000) 1.378 5.802 ( -1.839 2.049 -0.000) 2.753 8.759 ( 0.426 0.550 -0.000) 0.695 8.785 ( -1.236 0.170 0.000) 1.248 8.860 ( 0.251 -0.061 -0.000) 0.258 8.862 ( 0.016 0.229 -0.000) 0.230 8.931 ( 2.341 -0.620 -0.000) 2.421 9.002 ( -1.817 -0.145 0.000) 1.823 9.030 ( 0.275 -0.655 0.000) 0.710 9.043 ( -0.424 -1.672 0.000) 1.725 9.155 ( 1.525 0.760 -0.000) 1.704 9.211 ( -1.821 1.007 -0.000) 2.081 9.249 ( -0.123 0.357 -0.000) 0.377 9.250 ( -0.152 0.414 -0.000) 0.440 9.327 ( 0.469 0.523 -0.000) 0.703 9.333 ( -0.099 0.829 -0.000) 0.835 9.369 ( -0.325 1.398 -0.000) 1.436 9.379 ( -0.666 1.334 -0.000) 1.491 9.576 ( 0.453 -1.058 0.000) 1.151 9.594 ( -0.675 -0.861 0.000) 1.094 9.709 ( 2.711 -2.526 0.000) 3.706 9.739 ( 1.004 -2.619 0.000) 2.805 9.950 ( 0.903 0.567 -0.000) 1.067 9.980 ( -1.041 1.226 -0.000) 1.609 10.151 ( 0.393 -0.126 -0.000) 0.412 10.153 ( 0.234 -0.033 -0.000) 0.236 ======================= Grid point 134 (57/125) ======================= q-point: ( 0.22 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 14.983 18.876 5.230) 24.661 0.895 ( 2.857 3.686 12.602) 13.437 1.295 ( 4.399 -6.204 -1.128) 7.689 1.434 ( 6.143 1.677 5.291) 8.280 1.717 ( 3.995 -2.370 -7.044) 8.438 2.247 ( -4.468 9.830 -5.533) 12.133 2.384 ( -1.168 -6.388 -16.607) 17.832 2.872 ( 6.947 -14.981 6.169) 17.628 3.330 ( -4.222 5.006 9.306) 11.379 3.470 ( -1.858 1.844 7.952) 8.372 3.734 ( -2.412 4.177 3.502) 5.961 3.856 ( -4.539 -7.236 -4.896) 9.845 3.893 ( -3.795 3.193 -7.359) 8.875 4.117 ( -5.659 -5.046 -1.365) 7.704 4.149 ( 3.492 0.191 3.152) 4.708 4.272 ( 2.164 -3.427 -0.064) 4.054 4.658 ( 6.248 9.594 -1.012) 11.494 4.756 ( -2.507 3.416 5.159) 6.676 4.973 ( -2.785 5.645 2.477) 6.764 5.048 ( -1.337 -0.370 -3.200) 3.487 5.283 ( 2.085 -3.980 -7.763) 8.969 5.360 ( -3.309 -4.716 -1.468) 5.945 5.790 ( 3.790 -0.505 6.154) 7.245 5.918 ( 1.294 -0.301 -1.729) 2.180 8.761 ( 0.482 -0.452 -0.084) 0.666 8.794 ( -0.830 -1.125 -0.130) 1.404 8.831 ( 0.931 -0.097 1.244) 1.557 8.873 ( 0.182 0.287 -1.007) 1.063 8.926 ( 0.079 2.778 -0.729) 2.873 8.992 ( -0.705 -0.496 1.490) 1.721 9.035 ( -0.623 -0.233 -0.102) 0.673 9.058 ( -0.139 -0.300 -0.905) 0.963 9.133 ( -0.037 1.928 0.556) 2.006 9.247 ( -0.032 -1.123 -0.501) 1.230 9.255 ( 0.458 -0.139 -0.140) 0.499 9.265 ( 0.442 -0.209 -0.387) 0.623 9.319 ( 0.958 0.171 1.106) 1.474 9.366 ( 0.538 0.119 -1.021) 1.160 9.387 ( 0.597 -0.499 0.197) 0.803 9.423 ( 1.294 -1.190 -1.595) 2.374 9.560 ( -1.162 -0.259 0.706) 1.384 9.571 ( -1.637 1.058 1.078) 2.227 9.594 ( -1.124 -0.143 1.240) 1.680 9.652 ( -1.672 1.191 -0.632) 2.148 9.930 ( 0.492 0.874 0.419) 1.087 10.021 ( 1.085 -1.776 -0.749) 2.212 10.113 ( -0.758 0.279 0.322) 0.869 10.136 ( -0.448 -0.422 -0.138) 0.630 ======================= Grid point 135 (58/125) ======================= q-point: ( 0.33 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 12.436 10.196 8.047) 17.982 0.970 ( 7.192 8.645 12.909) 17.120 1.119 ( 6.981 -2.385 -9.765) 12.239 1.423 ( 7.299 0.533 -5.711) 9.283 1.503 ( 6.936 -12.389 19.093) 23.794 2.098 ( 0.306 -3.311 -28.137) 28.333 2.519 ( -4.311 7.271 1.983) 8.683 2.690 ( 2.025 -8.356 2.512) 8.958 3.493 ( -4.016 5.842 6.246) 9.448 3.608 ( -3.468 3.712 9.957) 11.178 3.799 ( -5.119 -7.149 -2.363) 9.105 3.882 ( -2.242 5.061 1.477) 5.729 3.918 ( -3.149 3.343 -6.541) 7.992 4.106 ( 4.173 0.410 2.354) 4.809 4.127 ( -3.542 -6.528 1.134) 7.513 4.194 ( 0.943 -5.089 -0.789) 5.236 4.652 ( 7.650 10.918 -3.142) 13.697 4.829 ( -0.007 -0.192 2.992) 2.998 5.006 ( 3.745 -4.054 -2.080) 5.898 5.035 ( -0.375 0.011 -4.764) 4.778 5.253 ( -6.085 3.126 -0.124) 6.842 5.383 ( -5.184 -3.366 -0.522) 6.203 5.759 ( 3.604 -0.599 6.680) 7.613 5.874 ( 1.609 -0.574 -3.953) 4.306 8.755 ( 0.354 0.512 -0.046) 0.624 8.782 ( 0.017 -1.772 0.086) 1.774 8.834 ( -0.311 0.244 1.088) 1.157 8.864 ( 0.001 -0.046 -1.458) 1.459 8.958 ( 0.037 2.920 0.035) 2.921 9.003 ( -0.377 -0.626 1.165) 1.375 9.034 ( -0.296 -0.671 -0.162) 0.751 9.054 ( -0.441 -0.390 -0.997) 1.158 9.163 ( 0.185 2.327 0.954) 2.522 9.225 ( 0.600 -1.509 -0.610) 1.734 9.247 ( 0.265 -0.145 0.135) 0.331 9.255 ( 0.207 -0.134 -0.495) 0.553 9.311 ( 0.927 -0.038 1.554) 1.810 9.349 ( 0.518 -0.031 -1.828) 1.900 9.370 ( 0.899 -0.476 0.279) 1.055 9.387 ( 1.059 -0.607 -1.418) 1.871 9.578 ( -0.828 0.330 0.424) 0.987 9.596 ( -0.929 -0.393 -0.191) 1.027 9.643 ( -2.635 1.088 2.880) 4.052 9.694 ( -2.751 0.495 -0.751) 2.894 9.935 ( 0.432 0.619 1.090) 1.325 9.985 ( 0.628 -1.241 -1.341) 1.932 10.125 ( -0.430 -0.087 0.759) 0.876 10.142 ( -0.841 -0.151 -0.671) 1.087 ======================= Grid point 136 (59/125) ======================= q-point: ( 0.44 0.56 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 12.204 -0.000 11.169) 16.544 0.848 ( 15.397 0.000 -4.779) 16.121 1.008 ( 4.521 -0.000 6.662) 8.051 1.139 ( 7.837 0.000 -14.512) 16.493 1.583 ( 1.008 0.000 32.313) 32.329 1.926 ( -0.414 0.000 -31.895) 31.898 2.619 ( -0.622 -0.000 3.057) 3.119 2.635 ( -0.743 0.000 -0.107) 0.751 3.650 ( -4.315 -0.000 5.885) 7.297 3.689 ( -2.514 0.000 -0.062) 2.515 3.830 ( -4.533 -0.000 2.712) 5.282 3.882 ( -0.960 0.000 -5.684) 5.765 4.054 ( 4.336 -0.000 2.394) 4.953 4.066 ( 0.825 0.000 1.966) 2.132 4.128 ( -2.912 0.000 0.090) 2.913 4.142 ( -6.361 -0.000 0.993) 6.438 4.621 ( 8.203 0.000 3.650) 8.978 4.708 ( 5.932 -0.000 -10.726) 12.257 4.957 ( 0.557 -0.000 4.181) 4.218 5.011 ( 0.009 0.000 -5.560) 5.560 5.400 ( -5.816 0.000 4.128) 7.132 5.434 ( -5.200 -0.000 -2.281) 5.678 5.742 ( 2.757 -0.000 7.645) 8.127 5.818 ( 1.518 0.000 -6.528) 6.702 8.755 ( 0.537 -0.000 0.976) 1.114 8.767 ( 0.052 0.000 -1.069) 1.070 8.852 ( -0.923 -0.000 1.046) 1.395 8.863 ( -0.780 0.000 -1.118) 1.363 8.981 ( 0.680 0.000 0.883) 1.115 8.989 ( 0.595 -0.000 -0.672) 0.897 9.044 ( -0.888 -0.000 0.876) 1.247 9.054 ( -0.835 0.000 -1.024) 1.321 9.178 ( 1.086 -0.000 1.366) 1.745 9.192 ( 1.189 0.000 -1.225) 1.707 9.245 ( 0.081 0.000 0.396) 0.404 9.250 ( 0.048 -0.000 -0.525) 0.527 9.309 ( 0.469 -0.000 2.102) 2.154 9.332 ( 0.199 0.000 -2.214) 2.223 9.355 ( 0.884 -0.000 0.199) 0.906 9.360 ( 0.992 0.000 -1.056) 1.449 9.595 ( -0.445 -0.000 0.653) 0.790 9.600 ( -0.357 0.000 -0.336) 0.491 9.713 ( -3.106 0.000 2.819) 4.195 9.737 ( -3.271 -0.000 -1.677) 3.676 9.941 ( 0.343 -0.000 1.877) 1.908 9.962 ( 0.225 0.000 -2.024) 2.037 10.136 ( -0.473 0.000 1.184) 1.275 10.149 ( -0.693 -0.000 -1.121) 1.318 ======================= Grid point 144 (60/125) ======================= q-point: ( 0.22 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 14.643 24.439 3.009) 28.648 0.946 ( 0.377 3.613 10.902) 11.491 1.329 ( -1.130 7.156 -12.205) 14.194 1.538 ( 8.575 -8.988 -1.575) 12.522 1.803 ( -0.481 0.621 9.061) 9.095 2.018 ( -5.310 7.157 6.753) 11.181 2.380 ( 0.950 -9.068 -22.510) 24.286 3.197 ( 3.291 -9.510 9.971) 14.166 3.270 ( -2.190 -1.078 4.139) 4.805 3.439 ( -1.953 4.439 0.378) 4.864 3.672 ( -3.109 1.974 1.467) 3.965 3.723 ( -4.085 4.627 -3.593) 7.142 3.885 ( -2.702 -9.975 -1.446) 10.435 4.036 ( -6.572 -2.221 -4.330) 8.178 4.216 ( 3.846 1.213 2.695) 4.850 4.350 ( 1.186 -5.263 0.839) 5.460 4.650 ( 7.632 11.170 -1.892) 13.660 4.693 ( -2.501 4.143 2.999) 5.693 4.895 ( -3.108 1.663 4.042) 5.363 5.033 ( -0.639 -1.643 -1.128) 2.093 5.319 ( 2.003 -1.999 -3.784) 4.725 5.371 ( -1.402 -5.738 -3.310) 6.771 5.860 ( 1.907 2.163 4.000) 4.931 5.933 ( 1.840 0.281 -0.964) 2.096 8.778 ( -0.603 -0.875 0.050) 1.064 8.785 ( 0.252 -0.266 -0.497) 0.617 8.847 ( 0.046 0.512 0.865) 1.006 8.881 ( 0.853 -0.464 0.365) 1.037 8.897 ( 0.739 2.105 -1.080) 2.479 8.989 ( -1.332 -0.382 0.554) 1.492 9.026 ( -0.271 -0.061 0.436) 0.517 9.058 ( 0.253 -0.059 -0.879) 0.917 9.115 ( -0.340 1.013 0.030) 1.069 9.253 ( -0.497 -0.973 -0.195) 1.110 9.262 ( 0.575 0.104 -0.073) 0.589 9.274 ( 0.547 -0.155 -0.140) 0.586 9.329 ( 0.644 0.961 0.375) 1.216 9.375 ( 0.908 -0.005 0.141) 0.919 9.397 ( 0.031 -0.136 0.215) 0.256 9.456 ( 1.745 -1.709 -1.140) 2.695 9.540 ( -1.443 1.189 1.458) 2.371 9.552 ( -0.675 -0.099 -0.007) 0.682 9.584 ( -0.728 -0.484 0.436) 0.977 9.617 ( -0.926 0.427 -1.018) 1.441 9.928 ( 0.538 0.983 0.021) 1.121 10.059 ( 1.263 -1.752 -0.175) 2.167 10.093 ( -1.014 0.671 0.087) 1.219 10.140 ( 0.155 -0.475 0.076) 0.505 ======================= Grid point 145 (61/125) ======================= q-point: ( 0.33 0.67 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 14.337 20.266 2.238) 24.925 1.023 ( 3.705 5.810 9.036) 11.364 1.255 ( 6.348 -8.895 -3.420) 11.451 1.405 ( 2.639 9.014 -6.668) 11.519 1.810 ( 3.144 -7.799 19.148) 20.914 2.066 ( 2.754 -8.032 -22.214) 23.781 2.323 ( -7.465 9.471 -0.393) 12.065 2.911 ( 6.999 -16.326 1.548) 17.830 3.413 ( -2.806 4.325 4.838) 7.070 3.543 ( -2.392 7.059 4.782) 8.855 3.762 ( -3.430 3.161 1.670) 4.954 3.800 ( -4.046 0.602 -4.941) 6.414 3.836 ( -4.858 -7.788 -2.347) 9.475 4.102 ( -6.530 -3.317 -0.900) 7.380 4.176 ( 4.553 1.381 1.413) 4.963 4.270 ( 1.176 -5.601 -0.166) 5.725 4.637 ( 8.988 12.210 -1.702) 15.257 4.800 ( -2.147 4.366 2.416) 5.433 5.017 ( -0.064 0.273 -0.859) 0.904 5.037 ( -6.126 2.754 6.241) 9.169 5.186 ( 3.608 -5.119 -8.467) 10.532 5.357 ( -4.351 -5.095 0.052) 6.700 5.849 ( 3.260 -0.289 4.620) 5.662 5.893 ( 2.193 -0.115 -3.036) 3.747 8.760 ( 0.624 -0.354 -0.021) 0.718 8.793 ( -1.137 -1.177 -0.054) 1.637 8.845 ( 0.953 -0.295 1.261) 1.608 8.861 ( 0.297 -0.134 -1.214) 1.257 8.921 ( 0.074 3.313 -0.219) 3.321 9.008 ( -0.928 -0.519 1.322) 1.697 9.028 ( -0.357 -0.174 -0.981) 1.058 9.052 ( -0.099 -0.333 -0.210) 0.406 9.138 ( -0.223 2.146 0.238) 2.171 9.243 ( -0.105 -1.382 -0.185) 1.398 9.254 ( 0.402 -0.090 0.048) 0.415 9.261 ( 0.472 -0.352 -0.267) 0.647 9.328 ( 0.810 0.598 0.577) 1.160 9.356 ( 1.045 -0.210 -0.566) 1.207 9.392 ( 0.473 -0.549 0.527) 0.896 9.409 ( 1.412 -1.190 -0.982) 2.091 9.564 ( -0.579 0.250 0.149) 0.648 9.574 ( -1.833 0.111 0.009) 1.836 9.616 ( -1.325 0.657 2.155) 2.614 9.641 ( -2.216 0.986 -1.440) 2.820 9.933 ( 0.331 1.081 0.181) 1.145 10.016 ( 1.240 -2.012 -0.296) 2.382 10.115 ( -0.900 0.340 0.111) 0.969 10.135 ( -0.238 -0.458 -0.055) 0.519 ======================= Grid point 146 (62/125) ======================= q-point: (-0.56 -0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 13.596 15.359 -0.000) 20.512 1.049 ( 7.020 -6.658 0.000) 9.675 1.059 ( 5.875 9.400 -0.000) 11.085 1.342 ( 10.156 -5.626 0.000) 11.610 1.776 ( 2.565 -6.296 0.000) 6.798 1.810 ( 1.215 -5.071 0.000) 5.215 2.529 ( -4.459 7.733 -0.000) 8.926 2.704 ( 1.970 -8.638 0.000) 8.860 3.531 ( -2.830 7.824 -0.000) 8.320 3.670 ( -2.314 2.843 -0.000) 3.666 3.803 ( -5.888 -6.863 0.000) 9.043 3.827 ( -3.932 -2.742 0.000) 4.793 3.919 ( -4.173 9.561 -0.000) 10.432 4.123 ( 4.751 1.616 -0.000) 5.018 4.124 ( -1.327 -3.812 0.000) 4.036 4.192 ( -1.779 -8.511 0.000) 8.695 4.636 ( 8.417 12.623 -0.000) 15.172 4.845 ( 1.951 -2.352 0.000) 3.056 5.001 ( 3.836 -4.465 0.000) 5.887 5.002 ( 0.082 -1.289 0.000) 1.292 5.253 ( -7.877 6.231 -0.000) 10.044 5.380 ( -5.402 -4.505 0.000) 7.034 5.816 ( 2.762 0.022 -0.000) 2.762 5.832 ( 2.667 -1.165 -0.000) 2.911 8.755 ( 0.263 0.543 -0.000) 0.604 8.783 ( 0.090 -1.861 0.000) 1.863 8.844 ( -0.235 0.491 -0.000) 0.544 8.853 ( -0.102 -0.340 0.000) 0.355 8.959 ( 0.031 3.164 -0.000) 3.165 9.012 ( -0.189 -1.457 0.000) 1.469 9.030 ( -0.388 0.507 -0.000) 0.638 9.049 ( -0.493 -0.897 0.000) 1.023 9.168 ( 0.198 2.656 -0.000) 2.663 9.221 ( 0.545 -1.838 0.000) 1.917 9.249 ( 0.197 -0.059 -0.000) 0.205 9.251 ( 0.223 -0.238 0.000) 0.326 9.325 ( 0.637 0.392 -0.000) 0.748 9.334 ( 0.883 -0.438 -0.000) 0.985 9.375 ( 1.228 -0.504 -0.000) 1.327 9.377 ( 0.846 -0.615 0.000) 1.046 9.580 ( -0.748 0.656 -0.000) 0.995 9.595 ( -1.113 -0.679 0.000) 1.304 9.662 ( -2.366 1.775 -0.000) 2.958 9.686 ( -3.092 -0.163 0.000) 3.096 9.942 ( 0.212 1.122 -0.000) 1.142 9.976 ( 0.852 -1.753 0.000) 1.949 10.131 ( -0.763 0.114 0.000) 0.772 10.136 ( -0.502 -0.335 0.000) 0.604 ======================= Grid point 154 (63/125) ======================= q-point: ( 0.22 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.769 ( 11.992 24.302 0.947) 27.116 0.937 ( -2.072 7.452 13.201) 15.300 1.110 ( -1.651 10.018 -18.091) 20.745 1.615 ( -5.886 12.095 3.651) 13.938 1.829 ( 7.827 -12.743 -0.675) 14.970 2.126 ( 1.532 -6.659 19.582) 20.740 2.368 ( 0.566 -7.643 -23.051) 24.291 3.061 ( -11.110 11.441 4.255) 16.505 3.338 ( -0.972 5.396 1.519) 5.689 3.383 ( -1.571 -3.345 -0.112) 3.697 3.617 ( -2.681 -1.143 2.504) 3.842 3.677 ( -4.381 -6.655 -2.732) 8.423 3.943 ( -6.180 -3.069 -2.966) 7.511 4.033 ( 6.236 -10.262 0.981) 12.048 4.267 ( 3.999 2.420 1.186) 4.823 4.434 ( 1.553 -4.751 0.825) 5.066 4.607 ( 2.527 8.678 1.119) 9.108 4.631 ( 0.806 4.707 -2.323) 5.311 4.888 ( -0.716 -1.534 2.461) 2.987 5.052 ( -0.014 -3.178 0.123) 3.180 5.353 ( 1.529 -1.335 -0.868) 2.208 5.403 ( -0.106 -4.495 -2.394) 5.094 5.831 ( -0.512 6.625 1.232) 6.758 5.960 ( 1.722 0.611 0.280) 1.848 8.759 ( -1.206 -0.019 -0.257) 1.234 8.801 ( 0.399 0.409 -0.042) 0.573 8.847 ( 0.284 -0.647 0.211) 0.737 8.874 ( 0.987 2.120 -0.228) 2.349 8.917 ( 0.870 -1.008 0.669) 1.491 8.967 ( -1.435 -0.145 -0.608) 1.565 9.037 ( 0.288 -0.633 1.544) 1.693 9.057 ( 0.506 0.085 -1.581) 1.662 9.101 ( -0.688 0.165 0.038) 0.708 9.253 ( -0.590 -0.775 -0.001) 0.974 9.269 ( 0.589 0.389 0.038) 0.707 9.279 ( 0.184 0.343 -0.001) 0.389 9.322 ( 0.219 1.688 0.062) 1.703 9.391 ( 0.527 -0.123 0.531) 0.758 9.394 ( 0.029 0.463 -0.107) 0.476 9.495 ( 0.164 0.176 1.403) 1.423 9.511 ( 0.302 0.017 -1.288) 1.323 9.555 ( 0.330 -1.536 0.086) 1.574 9.595 ( 0.317 -0.895 0.091) 0.954 9.600 ( -0.508 -0.545 -0.786) 1.083 9.925 ( 0.552 0.971 -0.086) 1.120 10.067 ( -0.968 0.939 0.303) 1.382 10.095 ( 0.861 -1.181 -0.258) 1.484 10.152 ( 0.686 -0.488 0.100) 0.848 ======================= Grid point 155 (64/125) ======================= q-point: ( 0.33 -0.22 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 14.152 23.940 -0.000) 27.810 1.044 ( 1.719 3.608 -0.000) 3.996 1.217 ( -2.620 11.736 -0.000) 12.025 1.531 ( 9.554 -11.991 0.000) 15.332 1.867 ( -5.091 9.382 -0.000) 10.674 2.127 ( 1.064 -7.854 0.000) 7.925 2.178 ( -1.469 -3.536 0.000) 3.829 3.234 ( 5.946 -17.261 0.000) 18.256 3.321 ( -6.079 5.617 -0.000) 8.277 3.432 ( -1.578 7.550 -0.000) 7.713 3.686 ( -2.535 1.491 -0.000) 2.941 3.695 ( -4.137 3.391 -0.000) 5.349 3.877 ( -2.222 -10.620 0.000) 10.850 4.011 ( -7.648 -2.469 0.000) 8.036 4.231 ( 4.479 2.155 -0.000) 4.971 4.353 ( 1.196 -5.801 0.000) 5.924 4.634 ( 8.826 12.729 -0.000) 15.490 4.710 ( -3.020 4.612 -0.000) 5.513 4.929 ( -4.301 1.097 0.000) 4.438 5.026 ( -0.455 -2.106 0.000) 2.155 5.284 ( 4.040 -2.737 0.000) 4.880 5.361 ( -3.048 -6.013 0.000) 6.742 5.887 ( 0.950 3.168 -0.000) 3.308 5.923 ( 2.999 -0.379 -0.000) 3.023 8.779 ( -1.433 -0.190 0.000) 1.445 8.781 ( 1.025 -0.891 0.000) 1.359 8.852 ( -0.321 0.326 -0.000) 0.457 8.883 ( 1.114 -0.983 0.000) 1.486 8.891 ( 0.962 2.622 -0.000) 2.793 8.992 ( -1.672 -0.009 0.000) 1.672 9.030 ( 0.065 -0.689 0.000) 0.692 9.051 ( 0.208 0.419 -0.000) 0.468 9.115 ( -0.453 0.963 -0.000) 1.065 9.252 ( -0.506 -1.069 0.000) 1.183 9.262 ( 0.570 0.091 -0.000) 0.577 9.273 ( 0.578 -0.244 -0.000) 0.627 9.331 ( 0.642 1.141 -0.000) 1.309 9.375 ( 1.197 -0.041 -0.000) 1.198 9.399 ( -0.178 -0.221 0.000) 0.284 9.449 ( 1.903 -1.715 0.000) 2.562 9.549 ( -1.003 1.299 -0.000) 1.642 9.550 ( -0.923 -0.148 0.000) 0.935 9.590 ( -1.428 -0.146 0.000) 1.435 9.609 ( -0.688 0.146 0.000) 0.703 9.928 ( 0.493 1.020 -0.000) 1.133 10.058 ( 1.343 -1.868 0.000) 2.301 10.094 ( -1.051 0.737 -0.000) 1.283 10.140 ( 0.194 -0.471 0.000) 0.510 ======================= Grid point 163 (65/125) ======================= q-point: ( 0.22 -0.11 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 6.906 22.063 -0.000) 23.119 0.804 ( -3.679 14.712 -0.000) 15.165 0.939 ( -0.926 7.155 -0.000) 7.214 1.435 ( -0.835 10.673 -0.000) 10.706 2.067 ( 3.510 -10.701 0.000) 11.262 2.223 ( -9.973 8.984 -0.000) 13.423 2.333 ( 3.434 -8.024 0.000) 8.728 2.866 ( -3.037 -2.896 0.000) 4.196 3.291 ( 1.315 5.640 -0.000) 5.791 3.358 ( -1.450 -0.756 0.000) 1.635 3.630 ( 0.303 -2.313 0.000) 2.333 3.662 ( -8.889 -10.820 0.000) 14.003 3.876 ( -5.733 -2.814 0.000) 6.386 4.205 ( 4.238 -1.347 -0.000) 4.447 4.295 ( 2.729 3.568 -0.000) 4.492 4.476 ( 4.620 10.176 -0.000) 11.176 4.579 ( 0.048 -2.602 0.000) 2.603 4.648 ( 1.732 -8.235 0.000) 8.415 4.909 ( 0.431 -1.028 0.000) 1.114 5.102 ( 0.674 -4.377 0.000) 4.428 5.385 ( 1.133 -1.008 0.000) 1.517 5.440 ( 0.552 -2.237 0.000) 2.304 5.723 ( -1.474 9.905 -0.000) 10.015 5.967 ( 0.499 1.129 -0.000) 1.234 8.745 ( -0.737 -0.498 0.000) 0.889 8.783 ( -0.604 1.812 -0.000) 1.910 8.872 ( 1.457 1.622 -0.000) 2.180 8.874 ( 1.026 -1.553 0.000) 1.861 8.936 ( -0.073 -0.468 0.000) 0.474 8.948 ( -1.104 -0.681 0.000) 1.297 9.051 ( 0.573 0.729 -0.000) 0.927 9.066 ( 0.576 -1.464 0.000) 1.573 9.090 ( -0.767 -0.352 0.000) 0.844 9.253 ( -0.364 -0.467 0.000) 0.593 9.271 ( 0.391 0.751 -0.000) 0.847 9.271 ( -0.341 0.720 -0.000) 0.797 9.299 ( -0.230 2.255 -0.000) 2.267 9.382 ( -0.512 0.495 -0.000) 0.712 9.395 ( -0.128 0.932 -0.000) 0.941 9.478 ( -0.138 0.361 -0.000) 0.387 9.541 ( 1.560 -0.945 0.000) 1.824 9.586 ( -0.851 -1.568 0.000) 1.783 9.606 ( 2.171 -1.756 0.000) 2.793 9.622 ( 0.779 -1.465 0.000) 1.660 9.920 ( 0.287 1.118 -0.000) 1.154 10.045 ( -0.580 0.742 -0.000) 0.942 10.110 ( 0.131 -0.303 0.000) 0.330 10.172 ( 1.003 -0.494 -0.000) 1.118 ======================= Grid point 172 (66/125) ======================= q-point: ( 0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.696 ( -0.000 13.477 -0.000) 13.477 0.739 ( -0.000 16.108 -0.000) 16.108 0.963 ( -0.000 12.543 -0.000) 12.543 1.570 ( -0.000 20.089 -0.000) 20.089 1.904 ( -0.000 15.133 -0.000) 15.133 2.109 ( 0.000 -7.773 0.000) 7.773 2.414 ( 0.000 -7.823 0.000) 7.823 2.849 ( 0.000 -12.607 0.000) 12.607 3.308 ( -0.000 4.478 -0.000) 4.478 3.386 ( 0.000 -11.153 0.000) 11.153 3.450 ( 0.000 -3.005 0.000) 3.005 3.649 ( 0.000 -5.310 0.000) 5.310 3.762 ( 0.000 -0.112 0.000) 0.112 4.281 ( -0.000 0.613 -0.000) 0.613 4.318 ( -0.000 7.315 -0.000) 7.315 4.555 ( 0.000 -8.865 0.000) 8.865 4.568 ( -0.000 15.880 -0.000) 15.880 4.694 ( 0.000 -14.108 0.000) 14.108 4.928 ( -0.000 0.461 -0.000) 0.461 5.114 ( 0.000 -5.432 0.000) 5.432 5.384 ( 0.000 -4.191 0.000) 4.191 5.470 ( -0.000 0.115 -0.000) 0.115 5.698 ( -0.000 11.399 -0.000) 11.399 5.973 ( -0.000 2.027 -0.000) 2.027 8.734 ( 0.000 -0.721 0.000) 0.721 8.772 ( -0.000 2.581 -0.000) 2.581 8.904 ( 0.000 -0.774 0.000) 0.774 8.907 ( 0.000 -0.009 0.000) 0.009 8.919 ( 0.000 -1.916 0.000) 1.916 8.923 ( -0.000 1.434 -0.000) 1.434 9.063 ( -0.000 0.925 -0.000) 0.925 9.073 ( 0.000 -0.822 0.000) 0.822 9.077 ( 0.000 -1.561 0.000) 1.561 9.246 ( 0.000 -1.068 0.000) 1.068 9.264 ( -0.000 1.280 -0.000) 1.280 9.278 ( -0.000 1.070 -0.000) 1.070 9.296 ( -0.000 3.028 -0.000) 3.028 9.376 ( -0.000 1.165 -0.000) 1.165 9.385 ( -0.000 1.446 -0.000) 1.446 9.483 ( 0.000 -0.611 0.000) 0.611 9.554 ( 0.000 -1.123 0.000) 1.123 9.581 ( 0.000 -1.578 0.000) 1.578 9.636 ( 0.000 -1.620 0.000) 1.620 9.653 ( 0.000 -3.707 0.000) 3.707 9.926 ( -0.000 1.658 -0.000) 1.658 10.036 ( -0.000 0.353 -0.000) 0.353 10.108 ( -0.000 0.107 -0.000) 0.107 10.190 ( 0.000 -0.702 0.000) 0.702 ======================= Grid point 173 (67/125) ======================= q-point: ( 0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.861 ( -1.006 12.240 -1.556) 12.379 0.910 ( -1.768 15.721 -5.730) 16.825 1.133 ( 0.219 12.877 13.396) 18.583 1.672 ( 10.262 18.617 -5.715) 22.013 1.956 ( -0.999 -4.370 -14.042) 14.740 2.182 ( -0.604 -1.322 4.902) 5.113 2.321 ( -2.002 -5.622 13.338) 14.612 2.778 ( -4.472 -0.000 -1.585) 4.745 3.244 ( -3.743 -11.663 -1.769) 12.376 3.371 ( 1.270 5.203 -2.219) 5.797 3.469 ( -4.293 -0.890 -3.198) 5.427 3.610 ( -0.487 -3.169 5.085) 6.011 3.792 ( -2.886 -1.399 4.057) 5.172 4.243 ( 4.718 -3.083 -1.784) 5.912 4.361 ( 1.651 0.261 -3.968) 4.305 4.453 ( -0.172 -5.114 -2.000) 5.494 4.546 ( -1.529 -9.511 0.240) 9.636 4.732 ( 1.540 13.757 2.844) 14.132 4.922 ( 1.612 -0.202 -0.337) 1.659 5.048 ( -0.239 -5.103 -1.424) 5.303 5.327 ( -1.048 -6.949 0.749) 7.068 5.461 ( 1.552 -0.901 3.243) 3.707 5.817 ( -0.260 9.571 -1.463) 9.686 5.998 ( 0.664 3.085 -0.785) 3.251 8.734 ( -0.402 0.034 0.281) 0.491 8.803 ( -0.078 2.563 0.003) 2.565 8.875 ( 1.264 -1.497 -0.179) 1.967 8.903 ( 0.528 0.489 -0.138) 0.732 8.916 ( -0.888 -0.414 -0.719) 1.215 8.939 ( -0.202 0.065 1.239) 1.257 9.048 ( 0.337 -1.088 -1.942) 2.251 9.066 ( -0.263 -0.937 0.125) 0.981 9.083 ( -0.058 0.717 1.723) 1.867 9.234 ( -0.435 -1.347 -0.136) 1.422 9.280 ( -0.051 1.298 -0.148) 1.307 9.288 ( 0.371 0.979 0.127) 1.055 9.328 ( 0.153 2.790 -0.302) 2.811 9.388 ( 0.254 1.093 0.126) 1.129 9.406 ( -0.310 1.489 -0.078) 1.523 9.472 ( -0.173 -0.231 -1.750) 1.773 9.546 ( -0.094 -0.911 0.461) 1.026 9.561 ( 0.536 -2.117 1.229) 2.506 9.597 ( 0.453 -2.262 -1.476) 2.738 9.620 ( 0.719 -2.429 1.877) 3.153 9.943 ( 0.409 1.764 0.226) 1.825 10.044 ( -0.430 0.671 -0.335) 0.864 10.108 ( 0.064 -0.502 0.240) 0.560 10.175 ( 0.524 -1.106 -0.187) 1.238 ======================= Grid point 174 (68/125) ======================= q-point: ( 0.44 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 0.251 8.444 -9.185) 12.479 1.111 ( -0.012 17.297 0.181) 17.298 1.359 ( 2.445 13.399 14.452) 19.859 1.644 ( 1.634 2.940 -14.248) 14.639 1.883 ( 6.480 7.162 4.620) 10.706 2.002 ( 4.029 -8.894 -10.140) 14.077 2.395 ( -0.656 -9.487 21.994) 23.962 3.000 ( -10.489 12.700 -4.823) 17.163 3.176 ( -6.228 -13.585 -3.750) 15.408 3.401 ( -0.197 4.900 -1.942) 5.274 3.518 ( -4.558 1.340 -4.205) 6.344 3.648 ( -1.621 0.292 6.773) 6.970 3.855 ( -3.964 -2.767 7.168) 8.646 4.011 ( 8.108 -12.580 -2.663) 15.202 4.285 ( 0.516 -2.785 -7.771) 8.271 4.399 ( 1.564 -3.560 2.429) 4.585 4.566 ( -4.552 2.308 -3.916) 6.433 4.856 ( 4.318 4.609 -4.297) 7.639 4.861 ( 0.592 4.136 3.272) 5.306 5.010 ( -0.928 -2.565 -0.031) 2.728 5.279 ( -1.731 -6.504 1.861) 6.983 5.438 ( 2.659 -2.008 6.865) 7.630 5.896 ( 0.614 6.557 -2.903) 7.197 6.001 ( 2.057 2.092 -1.499) 3.295 8.748 ( -0.669 0.443 0.440) 0.915 8.820 ( 1.112 0.569 -0.104) 1.254 8.846 ( 0.215 -0.127 0.092) 0.267 8.900 ( 0.391 0.425 -0.570) 0.812 8.922 ( 0.219 0.909 -0.471) 1.046 8.947 ( -0.813 -0.782 1.265) 1.695 9.023 ( 0.090 -0.864 -1.462) 1.700 9.061 ( -0.328 -0.942 0.103) 1.003 9.104 ( -0.111 1.321 1.353) 1.894 9.229 ( -0.831 -1.398 0.164) 1.635 9.287 ( 0.763 0.784 -0.072) 1.097 9.291 ( 0.421 0.728 0.006) 0.841 9.348 ( 0.529 2.113 -0.502) 2.235 9.391 ( 0.430 0.449 -0.553) 0.832 9.412 ( 0.741 0.574 -0.193) 0.957 9.481 ( -1.336 0.971 -1.839) 2.472 9.520 ( 1.362 -2.419 0.835) 2.898 9.541 ( -0.086 -0.713 0.446) 0.845 9.585 ( -0.918 -0.820 0.802) 1.469 9.591 ( 0.632 -1.804 0.845) 2.090 9.953 ( 0.921 1.684 0.218) 1.932 10.061 ( -0.798 0.968 -0.483) 1.344 10.094 ( 0.627 -1.371 0.407) 1.561 10.152 ( 0.505 -1.143 -0.273) 1.279 ======================= Grid point 175 (69/125) ======================= q-point: ( 0.56 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.960 ( 1.830 6.060 -9.852) 11.710 1.243 ( 9.032 15.693 -5.081) 18.806 1.358 ( 1.535 -3.492 -6.869) 7.857 1.693 ( 6.488 7.241 12.305) 15.683 1.764 ( 1.476 -3.860 -0.570) 4.171 2.055 ( -3.350 17.575 -2.148) 18.020 2.400 ( 0.122 -10.093 21.644) 23.882 3.024 ( 0.088 -18.380 -5.371) 19.148 3.190 ( -5.112 5.212 -8.876) 11.492 3.426 ( -0.001 -0.785 -5.424) 5.480 3.627 ( -5.560 3.529 -1.524) 6.759 3.733 ( -3.965 3.544 4.250) 6.808 3.786 ( 1.353 -6.567 2.904) 7.307 3.949 ( -4.287 -3.544 8.936) 10.525 4.209 ( 0.141 -1.444 -7.769) 7.903 4.356 ( 2.149 -0.939 1.622) 2.851 4.645 ( -4.459 3.309 -6.520) 8.565 4.762 ( 1.252 -1.126 -9.661) 9.807 4.956 ( 0.857 6.709 4.232) 7.978 5.013 ( -0.928 -0.283 2.023) 2.244 5.256 ( -1.154 -3.874 3.096) 5.092 5.405 ( 3.441 -3.539 10.054) 11.200 5.903 ( 2.919 2.572 -4.897) 6.254 5.973 ( 2.310 1.157 -1.363) 2.921 8.761 ( -0.370 -0.198 -0.126) 0.438 8.797 ( 0.988 -0.431 0.699) 1.285 8.854 ( 0.285 1.038 -0.194) 1.094 8.888 ( 0.757 -0.198 -0.348) 0.857 8.932 ( 0.253 1.595 0.549) 1.706 8.960 ( -1.248 -0.601 -0.428) 1.449 9.014 ( -0.519 -0.251 -0.665) 0.880 9.055 ( -0.265 -0.896 0.215) 0.959 9.129 ( -0.126 1.644 0.672) 1.781 9.230 ( -0.892 -1.345 0.797) 1.800 9.279 ( 1.012 0.385 0.145) 1.092 9.286 ( 0.808 0.183 0.083) 0.832 9.351 ( 1.057 1.169 -0.978) 1.854 9.382 ( 0.461 0.332 -0.878) 1.045 9.406 ( 0.709 0.105 0.345) 0.795 9.467 ( 1.392 -1.747 1.138) 2.507 9.516 ( -1.591 0.674 -2.379) 2.940 9.539 ( -0.376 -0.349 -0.123) 0.528 9.573 ( 0.014 -0.877 0.828) 1.206 9.607 ( -1.484 0.059 1.184) 1.899 9.957 ( 1.143 1.687 0.029) 2.038 10.058 ( 1.097 -1.865 0.323) 2.187 10.086 ( -0.772 0.784 -0.218) 1.122 10.133 ( 0.125 -0.967 -0.253) 1.007 ======================= Grid point 176 (70/125) ======================= q-point: (-0.33 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 4.167 2.589 -11.031) 12.072 1.105 ( 7.104 0.464 -11.717) 13.710 1.318 ( 5.145 5.095 -11.462) 13.558 1.572 ( 9.142 1.098 6.638) 11.351 1.882 ( 5.106 5.537 18.150) 19.651 2.324 ( -5.460 16.947 -2.822) 18.027 2.402 ( 0.770 -8.394 23.522) 24.987 2.730 ( 3.097 -18.726 -5.806) 19.849 3.254 ( -4.239 3.631 -10.495) 11.887 3.367 ( -2.887 -3.212 -11.399) 12.190 3.703 ( -4.324 2.451 -4.910) 6.987 3.770 ( -1.850 -3.474 7.067) 8.089 3.891 ( -4.211 1.554 2.177) 4.989 4.000 ( -2.883 -3.384 8.618) 9.697 4.177 ( 1.001 0.971 -2.278) 2.671 4.323 ( 3.208 0.446 1.671) 3.644 4.701 ( -3.982 1.908 -8.651) 9.712 4.711 ( -1.949 1.247 -10.988) 11.229 5.027 ( -2.122 1.013 2.649) 3.542 5.068 ( -0.881 4.377 4.777) 6.538 5.257 ( 0.233 -1.104 4.486) 4.626 5.357 ( 3.665 -4.792 10.750) 12.327 5.822 ( 4.656 0.222 -6.845) 8.281 5.944 ( 1.742 0.199 -0.669) 1.877 8.755 ( -0.096 -0.558 -0.496) 0.752 8.791 ( 0.426 -0.035 0.897) 0.994 8.842 ( 1.381 -0.011 -0.640) 1.522 8.886 ( 0.132 0.501 0.945) 1.078 8.953 ( -0.337 1.388 0.242) 1.449 8.967 ( -0.972 -0.143 -1.096) 1.472 9.017 ( -0.541 -0.713 -0.718) 1.148 9.056 ( -0.456 -0.267 0.921) 1.061 9.149 ( -0.105 1.345 -0.475) 1.430 9.234 ( -0.549 -0.954 1.430) 1.804 9.267 ( 0.943 0.084 0.310) 0.997 9.275 ( 0.743 0.003 0.329) 0.812 9.332 ( 1.332 0.247 -1.552) 2.060 9.379 ( 0.390 0.598 0.054) 0.716 9.394 ( 0.725 -0.500 0.589) 1.060 9.440 ( 1.175 -0.803 1.600) 2.141 9.528 ( -1.337 -0.043 -2.379) 2.729 9.547 ( -1.224 0.083 -1.764) 2.148 9.579 ( -0.617 -0.150 1.233) 1.387 9.640 ( -1.605 0.459 0.665) 1.797 9.954 ( 1.291 1.245 -0.465) 1.853 10.022 ( 0.999 -1.597 0.952) 2.111 10.105 ( -0.620 0.679 -0.312) 0.971 10.123 ( -0.335 -0.787 -0.158) 0.870 ======================= Grid point 177 (71/125) ======================= q-point: (-0.22 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( 5.750 -0.000 -12.536) 13.791 0.959 ( 6.308 -0.000 -10.784) 12.493 1.155 ( 8.431 -0.000 -15.843) 17.947 1.493 ( 10.940 0.000 11.083) 15.573 1.836 ( 12.726 0.000 16.126) 20.543 2.478 ( -2.325 0.000 17.423) 17.578 2.493 ( 0.057 -0.000 -6.772) 6.772 2.571 ( -2.875 0.000 5.021) 5.786 3.304 ( -5.892 -0.000 -8.314) 10.190 3.344 ( -5.211 -0.000 -13.819) 14.769 3.785 ( -6.019 -0.000 -4.890) 7.755 3.801 ( -1.431 0.000 4.143) 4.384 3.902 ( -1.517 -0.000 -4.735) 4.972 4.088 ( -1.126 0.000 11.570) 11.624 4.144 ( 3.206 -0.000 -0.655) 3.272 4.274 ( 4.230 0.000 1.498) 4.487 4.716 ( -3.060 -0.000 -7.256) 7.874 4.732 ( -4.070 -0.000 -6.039) 7.282 5.087 ( -2.740 0.000 3.195) 4.208 5.149 ( 0.093 0.000 6.382) 6.383 5.253 ( 2.842 0.000 7.135) 7.681 5.331 ( -0.351 0.000 3.246) 3.265 5.706 ( 4.920 -0.000 -8.231) 9.589 5.924 ( 0.619 0.000 0.639) 0.890 8.755 ( -0.686 -0.000 -0.253) 0.731 8.784 ( 1.099 0.000 0.698) 1.302 8.820 ( 0.632 -0.000 -0.954) 1.145 8.893 ( 0.224 0.000 1.354) 1.373 8.966 ( -0.398 -0.000 -0.322) 0.512 8.981 ( -0.915 -0.000 -0.428) 1.011 9.009 ( -0.261 -0.000 -1.052) 1.084 9.070 ( -0.512 0.000 1.354) 1.448 9.153 ( 0.058 -0.000 -1.388) 1.389 9.240 ( 0.140 0.000 1.401) 1.408 9.256 ( 0.706 0.000 0.406) 0.814 9.267 ( 0.530 0.000 0.257) 0.589 9.304 ( 1.246 -0.000 -1.534) 1.976 9.376 ( 0.579 -0.000 -0.209) 0.616 9.389 ( 0.344 0.000 2.073) 2.101 9.427 ( 1.007 0.000 1.729) 2.001 9.541 ( -1.914 -0.000 -2.118) 2.854 9.555 ( -1.439 -0.000 -2.793) 3.141 9.597 ( -0.769 0.000 1.442) 1.634 9.670 ( -1.610 -0.000 -0.214) 1.624 9.936 ( 1.307 -0.000 -0.840) 1.553 10.009 ( 0.458 0.000 1.348) 1.423 10.110 ( -0.021 -0.000 -0.597) 0.597 10.132 ( -1.154 0.000 0.238) 1.178 ======================= Grid point 182 (72/125) ======================= q-point: ( 0.33 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -0.000 13.037 -4.284) 13.723 0.716 ( -0.000 13.352 3.836) 13.892 1.074 ( -0.000 12.896 17.204) 21.500 1.540 ( -0.000 20.397 -5.165) 21.041 1.752 ( 0.000 7.003 -20.358) 21.529 2.229 ( -0.000 1.037 13.719) 13.758 2.430 ( 0.000 -7.506 2.953) 8.066 2.836 ( 0.000 -10.182 -2.578) 10.504 3.313 ( -0.000 3.823 0.705) 3.887 3.355 ( 0.000 -13.263 -3.908) 13.827 3.437 ( 0.000 -3.993 -1.949) 4.444 3.684 ( -0.000 -4.114 6.139) 7.390 3.800 ( -0.000 0.138 6.405) 6.407 4.266 ( 0.000 0.755 -2.764) 2.866 4.307 ( -0.000 6.598 -2.172) 6.946 4.489 ( 0.000 -9.010 -11.747) 14.805 4.602 ( -0.000 15.163 6.146) 16.361 4.693 ( 0.000 -11.401 0.314) 11.406 4.949 ( -0.000 -1.399 3.006) 3.316 5.093 ( 0.000 -5.350 -3.802) 6.563 5.391 ( 0.000 -4.193 1.242) 4.373 5.499 ( -0.000 0.380 5.170) 5.184 5.684 ( -0.000 11.058 -2.494) 11.336 5.964 ( 0.000 2.076 -1.618) 2.632 8.737 ( -0.000 -0.784 0.612) 0.995 8.773 ( -0.000 2.489 0.214) 2.498 8.893 ( 0.000 0.190 -1.387) 1.400 8.898 ( 0.000 -0.586 -1.223) 1.356 8.929 ( -0.000 -1.243 1.189) 1.720 8.935 ( -0.000 0.508 1.613) 1.691 9.048 ( 0.000 -0.305 -1.687) 1.714 9.067 ( 0.000 -0.787 -1.032) 1.297 9.097 ( -0.000 -0.322 2.442) 2.464 9.242 ( 0.000 -0.922 -0.588) 1.094 9.263 ( -0.000 1.249 -0.150) 1.258 9.278 ( -0.000 1.365 -0.234) 1.385 9.295 ( -0.000 2.554 0.071) 2.555 9.379 ( -0.000 1.196 0.474) 1.287 9.384 ( -0.000 1.421 -0.169) 1.431 9.463 ( 0.000 -0.406 -3.128) 3.154 9.557 ( 0.000 -1.160 0.379) 1.220 9.600 ( -0.000 -1.733 3.036) 3.496 9.612 ( 0.000 -1.585 -2.558) 3.010 9.678 ( -0.000 -3.710 2.675) 4.574 9.929 ( -0.000 1.609 0.601) 1.718 10.032 ( 0.000 0.429 -0.814) 0.920 10.112 ( -0.000 0.045 0.587) 0.589 10.188 ( 0.000 -0.684 -0.434) 0.810 ======================= Grid point 183 (73/125) ======================= q-point: ( 0.44 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 0.280 9.963 -5.922) 11.593 0.916 ( -2.037 15.186 4.334) 15.923 1.312 ( -0.594 12.084 17.767) 21.495 1.557 ( 8.445 10.310 -15.254) 20.256 1.804 ( -2.923 6.622 -11.652) 13.717 2.230 ( 8.307 -7.600 4.344) 12.068 2.507 ( -9.227 3.302 17.437) 20.002 2.745 ( -2.367 -2.213 -4.328) 5.407 3.207 ( -2.480 -10.683 -4.240) 11.758 3.345 ( 0.015 2.671 -1.684) 3.157 3.430 ( -4.181 -1.987 -3.335) 5.706 3.692 ( -0.064 -1.855 9.299) 9.483 3.863 ( -2.801 -0.746 8.509) 8.989 4.203 ( 5.036 -4.987 -6.269) 9.462 4.278 ( -0.103 -4.345 -10.635) 11.489 4.415 ( -1.148 4.128 -4.706) 6.364 4.557 ( 0.565 -10.984 1.915) 11.164 4.782 ( 1.200 11.842 5.709) 13.201 4.916 ( 2.729 -2.660 -0.721) 3.878 5.023 ( -1.602 -4.498 -2.705) 5.487 5.342 ( -0.139 -5.365 1.946) 5.709 5.522 ( 1.455 -0.278 7.464) 7.609 5.788 ( -0.521 9.144 -3.930) 9.966 5.981 ( 0.535 2.902 -2.385) 3.794 8.739 ( -0.403 0.002 0.787) 0.884 8.803 ( -0.073 2.300 -0.138) 2.306 8.872 ( 0.887 -1.087 -0.276) 1.429 8.896 ( -0.299 -0.033 -1.037) 1.079 8.914 ( 0.895 0.524 0.346) 1.094 8.955 ( -0.690 -0.484 1.527) 1.744 9.028 ( 0.261 -0.967 -1.641) 1.923 9.059 ( -0.705 -0.802 -1.145) 1.565 9.109 ( 0.420 0.528 2.687) 2.770 9.232 ( -0.527 -1.102 -0.287) 1.254 9.277 ( -0.008 1.277 -0.317) 1.316 9.288 ( 0.341 1.059 -0.139) 1.121 9.323 ( 0.039 2.469 -0.293) 2.487 9.389 ( 0.481 0.970 -0.118) 1.089 9.405 ( -0.192 1.357 -0.211) 1.387 9.446 ( -0.456 0.198 -2.598) 2.645 9.550 ( -0.316 -1.120 0.285) 1.199 9.573 ( 1.024 -2.115 -0.216) 2.360 9.595 ( -0.023 -1.486 1.802) 2.336 9.641 ( 1.001 -3.170 1.800) 3.781 9.948 ( 0.490 1.670 0.619) 1.847 10.037 ( -0.486 0.786 -0.862) 1.264 10.112 ( 0.093 -0.570 0.627) 0.852 10.171 ( 0.491 -1.072 -0.538) 1.296 ======================= Grid point 184 (74/125) ======================= q-point: ( 0.56 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 0.849 7.504 -6.088) 9.700 1.134 ( 1.527 16.719 3.489) 17.148 1.381 ( 5.223 -0.593 -14.092) 15.040 1.603 ( -4.581 12.722 8.455) 15.948 1.867 ( 1.196 10.144 -1.535) 10.329 1.991 ( 11.398 -7.357 4.062) 14.161 2.611 ( -1.499 -10.423 15.864) 19.040 2.931 ( -8.092 12.066 -6.297) 15.834 3.132 ( -5.782 -11.457 -3.435) 13.285 3.385 ( -1.413 4.084 -1.057) 4.449 3.483 ( -5.866 0.957 -2.230) 6.348 3.725 ( 0.733 -0.588 7.286) 7.346 3.926 ( 0.590 -7.275 1.107) 7.382 3.990 ( 1.100 -5.346 3.037) 6.246 4.186 ( 0.041 -3.310 -10.292) 10.811 4.418 ( 3.140 -0.864 0.930) 3.387 4.512 ( -4.805 -0.309 -5.481) 7.295 4.785 ( 4.139 -2.244 -7.282) 8.672 4.919 ( -0.167 5.117 5.679) 7.646 5.013 ( -1.847 -1.902 0.714) 2.746 5.306 ( 0.629 -2.600 3.355) 4.290 5.528 ( 2.529 -0.977 9.103) 9.498 5.854 ( 0.344 5.899 -4.713) 7.558 5.977 ( 1.588 1.748 -3.155) 3.941 8.754 ( -0.570 0.211 0.768) 0.980 8.818 ( 0.670 0.861 -0.277) 1.126 8.847 ( 0.557 -0.323 0.073) 0.648 8.892 ( 0.282 0.253 -0.819) 0.902 8.920 ( 0.232 1.607 0.146) 1.631 8.960 ( -0.429 -1.309 1.003) 1.704 9.009 ( -0.190 -0.701 -1.042) 1.269 9.056 ( -0.746 -0.824 -0.874) 1.414 9.124 ( 0.492 1.110 2.101) 2.427 9.232 ( -0.908 -0.993 0.413) 1.408 9.285 ( 0.525 0.927 -0.189) 1.082 9.290 ( 0.488 0.674 -0.250) 0.869 9.342 ( 0.490 1.787 -0.600) 1.947 9.382 ( 0.690 0.286 -1.177) 1.394 9.411 ( 0.346 0.641 0.033) 0.730 9.462 ( -1.415 1.152 -1.660) 2.467 9.524 ( 1.083 -2.319 0.192) 2.567 9.548 ( 0.257 -0.869 0.797) 1.207 9.595 ( -0.491 -0.772 0.972) 1.335 9.603 ( 0.563 -1.951 1.285) 2.403 9.956 ( 1.042 1.588 0.350) 1.931 10.055 ( -0.857 1.043 -0.646) 1.497 10.099 ( 0.636 -1.387 0.585) 1.634 10.147 ( 0.424 -1.105 -0.499) 1.285 ======================= Grid point 185 (75/125) ======================= q-point: ( 0.67 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 2.533 4.692 -6.381) 8.316 1.162 ( 8.651 1.146 -11.800) 14.676 1.267 ( 2.720 7.194 -6.315) 9.952 1.752 ( 8.809 -2.486 4.674) 10.278 1.895 ( -3.857 10.231 14.356) 18.046 2.040 ( -1.113 17.066 1.859) 17.203 2.603 ( -2.010 -8.834 13.361) 16.143 2.947 ( 3.098 -10.580 -6.407) 12.750 3.117 ( -5.073 -2.186 -4.579) 7.175 3.364 ( 1.901 -4.908 -6.367) 8.261 3.595 ( -5.142 -0.178 -3.690) 6.331 3.770 ( -4.267 4.633 3.159) 7.046 3.844 ( -1.020 -1.814 6.879) 7.187 4.032 ( -2.023 -3.946 2.722) 5.203 4.138 ( -2.346 0.851 -1.955) 3.170 4.366 ( 2.904 0.239 0.204) 2.921 4.564 ( -4.881 1.117 -8.229) 9.633 4.659 ( 1.992 -2.363 -9.349) 9.846 4.993 ( -1.794 1.598 2.468) 3.444 5.044 ( -2.278 -0.138 3.500) 4.178 5.299 ( 2.574 1.752 5.033) 5.918 5.514 ( 3.447 -2.339 9.884) 10.726 5.842 ( 3.139 1.492 -6.176) 7.087 5.951 ( 1.172 1.012 -2.793) 3.193 8.760 ( -0.111 -0.702 -0.070) 0.714 8.805 ( 0.822 -0.174 0.828) 1.180 8.852 ( 0.451 1.382 -0.317) 1.488 8.883 ( 0.505 0.326 -0.510) 0.788 8.940 ( 0.054 1.477 0.881) 1.721 8.954 ( -0.677 -1.056 -0.506) 1.352 9.008 ( -0.831 -0.517 -0.522) 1.110 9.054 ( -0.615 -0.569 -0.347) 0.907 9.139 ( 0.452 1.226 1.078) 1.694 9.240 ( -0.821 -0.780 1.141) 1.607 9.281 ( 0.911 0.442 0.263) 1.046 9.286 ( 0.609 0.294 -0.224) 0.712 9.338 ( 1.093 0.730 -1.371) 1.899 9.374 ( 0.202 0.620 -0.600) 0.887 9.411 ( 0.457 -0.012 0.671) 0.812 9.478 ( 0.492 -0.571 0.286) 0.806 9.491 ( -0.640 -0.636 -1.683) 1.910 9.538 ( 0.026 -0.736 -0.170) 0.756 9.584 ( 0.042 -0.637 1.205) 1.363 9.617 ( -1.274 0.192 0.571) 1.409 9.957 ( 1.276 1.552 0.028) 2.009 10.063 ( 0.856 -1.446 0.494) 1.752 10.083 ( -0.640 0.512 -0.322) 0.881 10.130 ( 0.023 -0.970 -0.336) 1.027 ======================= Grid point 186 (76/125) ======================= q-point: (-0.22 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 5.080 0.185 -9.433) 10.716 0.986 ( 5.663 0.175 -10.013) 11.505 1.206 ( 7.807 3.334 -8.019) 11.678 1.664 ( 9.842 5.692 8.693) 14.312 2.079 ( 4.504 3.494 18.167) 19.040 2.290 ( -5.302 15.559 -2.666) 16.652 2.630 ( -3.421 -6.503 4.203) 8.465 2.652 ( 6.703 -14.860 5.563) 17.225 3.155 ( -4.365 1.858 -7.763) 9.098 3.252 ( -2.125 -5.346 -10.127) 11.646 3.653 ( -5.195 1.161 -3.923) 6.613 3.820 ( -1.934 -3.563 0.499) 4.085 3.898 ( -0.763 -2.576 1.551) 3.103 4.094 ( -3.296 3.975 7.652) 9.231 4.181 ( 0.982 0.378 3.064) 3.240 4.338 ( 3.304 1.512 1.219) 3.833 4.589 ( -5.450 -0.137 -9.924) 11.323 4.615 ( -3.644 0.694 -8.469) 9.246 5.051 ( -2.799 0.595 1.807) 3.385 5.114 ( -4.133 0.227 3.393) 5.352 5.316 ( 4.304 5.276 6.044) 9.104 5.463 ( 4.585 -5.114 9.240) 11.513 5.741 ( 4.835 -0.440 -8.293) 9.609 5.933 ( 0.527 0.082 -1.293) 1.398 8.751 ( -0.183 -0.669 -0.265) 0.743 8.799 ( 0.482 -0.006 0.638) 0.800 8.837 ( 1.787 0.095 -0.407) 1.835 8.893 ( -0.246 1.007 0.440) 1.126 8.957 ( -0.878 0.308 -0.743) 1.190 8.959 ( -0.256 0.530 0.845) 1.030 9.007 ( -0.575 -1.038 -1.129) 1.638 9.063 ( -0.850 0.063 0.442) 0.960 9.147 ( 0.458 0.850 -0.021) 0.966 9.249 ( -0.321 -0.465 1.394) 1.504 9.272 ( 0.916 0.098 0.559) 1.078 9.277 ( 0.625 0.072 -0.073) 0.633 9.315 ( 1.250 0.071 -1.553) 1.995 9.378 ( 0.152 0.567 -0.200) 0.620 9.406 ( 0.387 -0.381 1.561) 1.653 9.456 ( 1.108 -0.742 1.425) 1.952 9.496 ( -1.534 0.002 -3.197) 3.546 9.534 ( -0.617 -0.359 -0.896) 1.145 9.594 ( -0.589 0.021 1.394) 1.513 9.643 ( -1.320 0.495 -0.141) 1.417 9.950 ( 1.461 0.964 -0.343) 1.784 10.033 ( 0.871 -1.306 0.876) 1.798 10.101 ( -0.566 0.659 -0.398) 0.956 10.122 ( -0.535 -0.775 -0.123) 0.950 ======================= Grid point 187 (77/125) ======================= q-point: (-0.11 0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( 6.437 -0.000 -10.979) 12.727 0.865 ( 6.384 -0.000 -6.375) 9.022 1.037 ( 10.672 -0.000 -6.628) 12.562 1.593 ( 11.324 0.000 7.001) 13.313 1.995 ( 14.158 0.000 13.029) 19.241 2.411 ( 0.175 -0.000 -8.104) 8.106 2.505 ( -3.455 -0.000 -1.982) 3.983 2.768 ( -4.260 0.000 21.514) 21.932 3.193 ( -4.209 -0.000 -14.654) 15.246 3.233 ( -6.891 -0.000 -4.667) 8.323 3.745 ( -6.444 -0.000 -2.549) 6.929 3.785 ( -0.150 -0.000 -4.643) 4.645 3.901 ( -0.887 0.000 2.779) 2.917 4.140 ( 4.366 0.000 -0.143) 4.368 4.194 ( 0.849 0.000 7.761) 7.807 4.286 ( 3.863 0.000 0.801) 3.945 4.644 ( -4.511 -0.000 -5.735) 7.296 4.677 ( -8.688 -0.000 -3.939) 9.539 5.111 ( -3.025 0.000 1.407) 3.336 5.206 ( -4.049 0.000 3.967) 5.668 5.342 ( 5.376 0.000 8.829) 10.336 5.356 ( 4.234 0.000 1.450) 4.475 5.614 ( 4.897 -0.000 -8.547) 9.851 5.928 ( -0.431 0.000 0.158) 0.459 8.753 ( -0.810 -0.000 -0.113) 0.818 8.792 ( 1.238 0.000 0.807) 1.478 8.810 ( 0.799 -0.000 -0.923) 1.221 8.904 ( 0.031 0.000 0.629) 0.630 8.968 ( -0.148 0.000 0.641) 0.658 8.978 ( -1.022 -0.000 -0.269) 1.056 8.997 ( -0.376 -0.000 -1.295) 1.348 9.081 ( -0.780 0.000 0.683) 1.037 9.141 ( 0.587 -0.000 -0.726) 0.934 9.253 ( 0.416 0.000 1.070) 1.148 9.261 ( 0.795 0.000 0.569) 0.978 9.268 ( 0.479 -0.000 -0.170) 0.509 9.289 ( 1.076 -0.000 -1.221) 1.628 9.374 ( 0.471 -0.000 -0.097) 0.481 9.412 ( 0.219 0.000 2.180) 2.191 9.444 ( 0.701 0.000 1.402) 1.568 9.509 ( -2.324 -0.000 -3.182) 3.940 9.538 ( -0.818 -0.000 -1.006) 1.296 9.614 ( -0.859 0.000 1.494) 1.723 9.664 ( -1.201 -0.000 -0.863) 1.479 9.929 ( 1.412 -0.000 -0.439) 1.479 10.021 ( 0.361 0.000 0.847) 0.920 10.105 ( 0.067 -0.000 -0.452) 0.457 10.134 ( -1.307 -0.000 0.134) 1.314 ======================= Grid point 188 (78/125) ======================= q-point: ( 0.00 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 7.410 0.000 -0.000) 7.410 0.830 ( 6.379 0.000 -0.000) 6.379 1.003 ( 11.237 0.000 -0.000) 11.237 1.631 ( 11.620 0.000 -0.000) 11.620 2.078 ( 16.294 0.000 -0.000) 16.294 2.355 ( -1.308 -0.000 0.000) 1.308 2.492 ( -3.780 -0.000 0.000) 3.780 2.936 ( -8.447 -0.000 0.000) 8.447 3.065 ( -0.278 -0.000 0.000) 0.278 3.208 ( -7.344 -0.000 0.000) 7.344 3.732 ( -6.606 -0.000 0.000) 6.606 3.755 ( 0.229 0.000 -0.000) 0.229 3.919 ( -0.750 -0.000 0.000) 0.750 4.140 ( 5.180 0.000 -0.000) 5.180 4.239 ( 2.475 0.000 -0.000) 2.475 4.291 ( 3.242 0.000 -0.000) 3.242 4.609 ( -5.453 -0.000 0.000) 5.453 4.655 ( -10.506 -0.000 0.000) 10.506 5.118 ( -2.997 -0.000 0.000) 2.997 5.228 ( -6.248 -0.000 0.000) 6.248 5.363 ( 6.643 0.000 -0.000) 6.643 5.406 ( 6.554 0.000 -0.000) 6.554 5.552 ( 4.355 0.000 -0.000) 4.355 5.929 ( -0.855 -0.000 0.000) 0.855 8.753 ( -0.850 -0.000 0.000) 0.850 8.800 ( 2.043 0.000 -0.000) 2.043 8.801 ( 0.102 0.000 -0.000) 0.102 8.907 ( -0.073 -0.000 0.000) 0.073 8.975 ( 0.378 0.000 -0.000) 0.378 8.976 ( -1.060 -0.000 0.000) 1.060 8.986 ( -0.821 -0.000 0.000) 0.821 9.084 ( -0.920 -0.000 0.000) 0.920 9.138 ( 0.858 0.000 -0.000) 0.858 9.261 ( 0.897 0.000 -0.000) 0.897 9.265 ( 0.087 0.000 -0.000) 0.087 9.266 ( 0.897 0.000 -0.000) 0.897 9.281 ( 0.929 0.000 -0.000) 0.929 9.374 ( 0.434 0.000 -0.000) 0.434 9.427 ( 0.558 0.000 -0.000) 0.558 9.454 ( 0.256 0.000 -0.000) 0.256 9.487 ( -2.329 -0.000 0.000) 2.329 9.532 ( -0.786 -0.000 0.000) 0.786 9.624 ( -1.080 -0.000 0.000) 1.080 9.657 ( -0.867 -0.000 0.000) 0.867 9.927 ( 1.449 0.000 -0.000) 1.449 10.026 ( 0.325 0.000 -0.000) 0.325 10.102 ( 0.097 0.000 -0.000) 0.097 10.135 ( -1.361 -0.000 0.000) 1.361 ======================= Grid point 192 (79/125) ======================= q-point: ( 0.44 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( -0.000 7.907 2.285) 8.231 0.775 ( -0.000 12.868 6.938) 14.619 1.267 ( -0.000 10.192 14.883) 18.038 1.487 ( -0.000 22.410 -1.247) 22.445 1.528 ( 0.000 3.980 -21.030) 21.403 2.328 ( -0.000 5.528 3.434) 6.508 2.472 ( -0.000 -6.797 4.626) 8.222 2.793 ( 0.000 -4.249 -5.596) 7.026 3.319 ( 0.000 -10.645 2.548) 10.946 3.347 ( 0.000 -5.215 2.012) 5.590 3.416 ( 0.000 -5.291 -1.947) 5.638 3.768 ( -0.000 -2.262 9.280) 9.552 3.882 ( -0.000 0.910 8.393) 8.442 4.226 ( 0.000 0.826 -4.633) 4.706 4.262 ( 0.000 0.294 -8.257) 8.262 4.335 ( 0.000 -3.447 -14.396) 14.803 4.686 ( -0.000 13.352 9.006) 16.105 4.705 ( 0.000 -9.072 2.018) 9.294 4.978 ( -0.000 -2.670 2.066) 3.376 5.039 ( 0.000 -5.234 -5.986) 7.952 5.408 ( 0.000 -3.847 1.911) 4.295 5.566 ( -0.000 1.428 6.275) 6.436 5.651 ( -0.000 9.419 -2.941) 9.868 5.938 ( 0.000 2.191 -3.236) 3.908 8.746 ( -0.000 -0.848 0.983) 1.299 8.776 ( -0.000 2.170 0.235) 2.183 8.879 ( 0.000 0.738 -1.094) 1.320 8.885 ( 0.000 -0.565 -1.143) 1.275 8.941 ( -0.000 -0.956 1.136) 1.485 8.951 ( -0.000 0.023 1.357) 1.357 9.033 ( 0.000 -0.757 -1.151) 1.378 9.053 ( 0.000 -0.767 -1.495) 1.680 9.124 ( -0.000 0.176 2.631) 2.637 9.234 ( 0.000 -0.564 -0.941) 1.097 9.261 ( -0.000 1.156 -0.251) 1.183 9.271 ( -0.000 1.851 -0.976) 2.093 9.301 ( -0.000 1.621 0.958) 1.883 9.381 ( -0.000 1.339 -0.362) 1.387 9.384 ( -0.000 1.281 0.337) 1.324 9.427 ( 0.000 0.012 -3.379) 3.379 9.562 ( 0.000 -1.159 0.459) 1.247 9.590 ( 0.000 -1.203 -1.565) 1.974 9.636 ( -0.000 -2.101 3.422) 4.016 9.702 ( 0.000 -3.978 1.679) 4.317 9.938 ( -0.000 1.494 1.067) 1.836 10.020 ( 0.000 0.604 -1.364) 1.492 10.120 ( -0.000 -0.089 0.971) 0.975 10.181 ( 0.000 -0.634 -0.811) 1.029 ======================= Grid point 193 (80/125) ======================= q-point: ( 0.56 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.770 ( 0.415 6.403 0.885) 6.478 0.975 ( -1.810 13.923 6.278) 15.380 1.374 ( 6.362 4.297 -17.681) 19.276 1.449 ( -1.579 10.223 3.868) 11.044 1.761 ( -0.772 14.068 6.897) 15.687 2.273 ( 9.990 -6.137 3.377) 12.201 2.595 ( -9.422 11.657 -5.582) 15.995 2.726 ( -4.250 -7.208 3.671) 9.137 3.200 ( 0.442 -9.742 5.160) 11.033 3.336 ( -1.018 -0.492 -0.278) 1.164 3.406 ( -4.662 -3.211 -1.018) 5.752 3.799 ( 0.815 -1.001 10.499) 10.578 3.960 ( -2.516 -0.332 8.773) 9.133 4.077 ( 1.309 -9.157 -16.560) 18.968 4.182 ( 1.867 -1.049 -7.092) 7.408 4.355 ( -1.857 5.284 -6.524) 8.598 4.587 ( 2.336 -9.935 3.655) 10.840 4.822 ( 3.171 4.577 -0.053) 5.568 4.918 ( 0.705 -1.875 2.177) 2.959 5.002 ( -2.984 -2.984 -0.836) 4.302 5.369 ( 1.673 -2.184 3.114) 4.155 5.603 ( 1.683 1.341 6.556) 6.900 5.742 ( -1.371 7.432 -3.631) 8.385 5.947 ( 0.317 2.553 -4.026) 4.777 8.750 ( -0.398 -0.003 1.152) 1.218 8.799 ( -0.113 1.726 -0.559) 1.818 8.870 ( 0.544 -0.544 -0.089) 0.775 8.885 ( -0.204 0.337 -0.850) 0.937 8.919 ( 1.548 0.459 0.466) 1.680 8.970 ( -0.950 -0.807 1.233) 1.754 9.014 ( 0.178 -1.090 -0.930) 1.444 9.044 ( -0.809 -0.650 -1.458) 1.790 9.137 ( 0.687 0.632 2.611) 2.773 9.229 ( -0.727 -0.689 -0.303) 1.046 9.273 ( -0.020 1.190 -0.413) 1.260 9.283 ( 0.223 1.373 -0.862) 1.636 9.324 ( 0.089 1.769 0.497) 1.839 9.383 ( 0.799 0.661 -1.139) 1.540 9.402 ( -0.065 1.191 -0.246) 1.218 9.423 ( -0.946 0.867 -1.573) 2.031 9.551 ( 0.132 -1.224 -0.024) 1.232 9.569 ( -0.053 -1.327 -0.115) 1.333 9.619 ( 0.750 -2.053 2.313) 3.182 9.657 ( 0.993 -3.440 1.228) 3.786 9.956 ( 0.672 1.509 0.852) 1.859 10.026 ( -0.643 0.977 -1.101) 1.607 10.120 ( 0.161 -0.676 0.871) 1.114 10.164 ( 0.427 -1.008 -0.822) 1.369 ======================= Grid point 194 (81/125) ======================= q-point: ( 0.67 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 1.103 4.746 0.894) 4.954 1.166 ( -1.156 8.418 -2.857) 8.964 1.209 ( 8.773 4.470 -10.426) 14.340 1.632 ( -5.266 14.143 -3.545) 15.503 1.962 ( 0.342 10.470 17.870) 20.714 2.032 ( 12.253 -5.736 3.341) 13.935 2.631 ( -2.788 -1.465 -12.246) 12.645 2.941 ( -8.775 2.633 6.464) 11.213 3.135 ( -1.580 -9.392 5.843) 11.174 3.374 ( -1.185 2.111 -1.222) 2.712 3.475 ( -7.289 0.526 1.057) 7.384 3.776 ( 4.483 -5.055 -1.888) 7.015 3.878 ( -1.805 -4.840 -2.801) 5.876 4.066 ( 0.721 -3.084 -0.965) 3.311 4.098 ( -2.352 -0.160 2.839) 3.690 4.395 ( 0.680 4.350 -6.040) 7.475 4.480 ( -0.838 -6.559 0.331) 6.621 4.708 ( 4.050 -4.281 -6.839) 9.028 4.965 ( -1.653 0.914 2.447) 3.091 5.030 ( -3.371 -2.095 2.489) 4.684 5.350 ( 3.917 2.909 4.689) 6.767 5.615 ( 2.861 1.100 6.379) 7.077 5.808 ( -0.456 3.815 -3.033) 4.895 5.934 ( 0.958 1.270 -4.789) 5.047 8.763 ( -0.371 -0.206 0.851) 0.951 8.814 ( -0.019 1.445 -0.451) 1.514 8.847 ( 1.042 -0.700 -0.010) 1.256 8.885 ( 0.353 0.436 -0.571) 0.801 8.923 ( 0.211 1.954 0.340) 1.994 8.967 ( -0.020 -1.703 0.376) 1.744 9.003 ( -0.633 -0.875 -0.119) 1.087 9.045 ( -0.890 -0.509 -1.154) 1.544 9.145 ( 0.923 0.977 1.840) 2.279 9.238 ( -1.030 -0.470 0.634) 1.298 9.282 ( 0.201 0.919 -0.516) 1.073 9.286 ( 0.473 0.828 -0.420) 1.042 9.336 ( 0.741 1.171 -0.482) 1.467 9.370 ( 0.546 0.486 -0.906) 1.164 9.413 ( -0.061 0.619 0.323) 0.701 9.445 ( -1.156 1.006 -1.489) 2.137 9.526 ( 0.791 -1.757 0.187) 1.936 9.556 ( 0.430 -1.244 0.601) 1.447 9.604 ( -0.049 -0.856 0.680) 1.094 9.616 ( 0.577 -2.039 1.076) 2.376 9.960 ( 1.211 1.467 0.331) 1.931 10.048 ( -1.011 1.179 -0.540) 1.644 10.106 ( 0.751 -1.468 0.607) 1.757 10.142 ( 0.280 -1.034 -0.591) 1.223 ======================= Grid point 195 (82/125) ======================= q-point: (-0.22 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.835 ( 3.465 0.929 0.354) 3.605 1.016 ( 4.247 -2.246 -13.522) 14.350 1.232 ( 8.299 10.062 -1.436) 13.122 1.809 ( 8.237 1.776 5.517) 10.072 1.937 ( -6.507 15.202 -2.873) 16.784 2.177 ( 0.338 9.246 20.040) 22.073 2.595 ( -3.367 -1.408 -13.542) 14.025 2.984 ( 5.617 -9.798 11.853) 16.372 3.087 ( -4.557 -7.900 -1.069) 9.182 3.285 ( 2.901 -7.736 -8.794) 12.066 3.561 ( -5.381 -2.594 -2.486) 6.470 3.808 ( -3.942 2.791 4.197) 6.399 3.911 ( -3.735 3.743 4.371) 6.861 3.975 ( -1.227 -1.222 -7.803) 7.993 4.201 ( -1.699 0.807 8.893) 9.089 4.359 ( 3.085 1.823 -1.778) 4.000 4.484 ( -5.479 -1.701 -6.081) 8.360 4.571 ( 2.253 -4.129 -6.670) 8.162 5.011 ( -2.558 0.300 0.962) 2.750 5.076 ( -4.781 -3.177 2.133) 6.124 5.357 ( 6.052 7.134 5.009) 10.612 5.605 ( 3.694 -0.114 6.638) 7.597 5.779 ( 3.337 -1.404 -5.096) 6.251 5.918 ( -0.239 1.043 -2.914) 3.105 8.759 ( 0.040 -1.032 -0.020) 1.033 8.814 ( 0.874 -0.240 0.659) 1.120 8.848 ( 0.328 1.904 -0.364) 1.966 8.878 ( 0.441 0.576 -0.355) 0.807 8.949 ( -0.326 1.091 0.516) 1.250 8.950 ( -0.117 -0.633 -0.065) 0.647 9.003 ( -0.897 -1.321 -0.379) 1.641 9.050 ( -0.885 -0.108 -0.428) 0.989 9.150 ( 0.888 0.944 0.849) 1.549 9.253 ( -0.718 -0.296 1.149) 1.386 9.281 ( 0.396 0.392 -0.626) 0.838 9.284 ( 0.701 0.526 0.345) 0.942 9.324 ( 1.141 0.387 -1.172) 1.681 9.370 ( 0.106 0.749 -0.210) 0.785 9.421 ( 0.051 -0.033 1.209) 1.210 9.460 ( -0.991 0.344 -2.294) 2.522 9.494 ( 1.043 -1.657 0.756) 2.099 9.536 ( 0.339 -0.997 -0.192) 1.070 9.597 ( -0.010 -0.534 1.085) 1.209 9.619 ( -1.010 0.237 -0.071) 1.040 9.957 ( 1.393 1.435 0.014) 2.000 10.068 ( 0.488 -0.902 0.574) 1.175 10.080 ( -0.336 0.097 -0.426) 0.551 10.127 ( -0.099 -0.974 -0.252) 1.011 ======================= Grid point 196 (83/125) ======================= q-point: (-0.11 0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.723 ( 6.380 -3.335 -3.928) 8.201 0.907 ( 4.438 1.777 -4.167) 6.341 1.152 ( 9.351 3.324 -2.293) 10.186 1.734 ( 10.809 8.055 3.715) 13.983 2.217 ( -5.124 10.316 3.301) 11.982 2.319 ( 4.790 2.941 12.104) 13.345 2.499 ( 1.616 -5.937 -14.573) 15.819 2.826 ( -0.511 -7.283 11.876) 13.941 3.086 ( -2.444 -1.138 -5.205) 5.862 3.164 ( -3.147 -6.281 -5.018) 8.633 3.624 ( -5.523 0.536 -1.375) 5.717 3.802 ( -1.294 -5.526 -1.854) 5.971 3.921 ( 0.184 -1.613 1.511) 2.218 4.159 ( -4.272 7.737 4.529) 9.931 4.212 ( 3.604 0.646 0.871) 3.763 4.355 ( 3.739 2.144 1.933) 4.724 4.511 ( -7.520 -2.727 -3.995) 8.941 4.535 ( -5.303 0.054 -5.273) 7.478 5.064 ( -3.054 0.517 0.624) 3.160 5.138 ( -6.135 -2.221 1.088) 6.615 5.370 ( 6.958 9.187 3.171) 11.953 5.556 ( 5.081 -5.137 8.324) 11.022 5.649 ( 4.770 -1.488 -8.636) 9.977 5.921 ( -0.432 0.040 -0.676) 0.804 8.749 ( -0.224 -0.727 -0.080) 0.765 8.804 ( 0.421 -0.019 0.237) 0.484 8.834 ( 2.113 0.193 -0.149) 2.127 8.896 ( -0.479 1.239 0.091) 1.331 8.951 ( -0.877 0.353 -0.287) 0.988 8.970 ( -0.061 0.704 0.985) 1.212 8.994 ( -0.681 -1.609 -1.018) 2.022 9.066 ( -1.083 0.246 0.079) 1.114 9.147 ( 0.847 0.610 0.099) 1.048 9.262 ( -0.121 -0.193 0.961) 0.988 9.274 ( 0.518 0.112 -0.492) 0.723 9.278 ( 0.858 0.107 0.546) 1.022 9.301 ( 1.176 -0.051 -0.930) 1.500 9.376 ( 0.099 0.511 -0.080) 0.527 9.425 ( 0.117 -0.237 1.721) 1.741 9.465 ( -1.274 -0.031 -2.185) 2.530 9.468 ( 0.853 -0.794 0.500) 1.269 9.526 ( -0.408 -0.497 -0.409) 0.762 9.606 ( -0.689 0.063 0.786) 1.048 9.639 ( -1.051 0.529 -0.350) 1.228 9.947 ( 1.552 0.833 -0.124) 1.766 10.040 ( 0.822 -1.186 0.380) 1.492 10.098 ( -0.528 0.646 -0.209) 0.860 10.121 ( -0.681 -0.750 -0.043) 1.014 ======================= Grid point 202 (84/125) ======================= q-point: ( 0.56 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -0.000 2.927 8.800) 9.274 0.858 ( -0.000 11.338 8.329) 14.068 1.278 ( -0.000 13.674 -8.533) 16.118 1.314 ( 0.000 3.975 -18.668) 19.087 1.623 ( -0.000 17.691 22.524) 28.641 2.288 ( -0.000 8.532 -10.614) 13.618 2.525 ( -0.000 -5.941 5.276) 7.945 2.721 ( -0.000 -1.741 -7.277) 7.483 3.356 ( 0.000 -7.024 2.027) 7.310 3.398 ( 0.000 -5.952 -1.436) 6.123 3.424 ( -0.000 -11.969 14.159) 18.540 3.874 ( -0.000 -0.972 10.127) 10.173 3.973 ( 0.000 1.967 8.595) 8.817 4.087 ( 0.000 -10.131 -20.903) 23.229 4.168 ( -0.000 0.779 -6.204) 6.253 4.239 ( 0.000 5.692 -6.683) 8.778 4.736 ( 0.000 -7.499 3.739) 8.380 4.780 ( -0.000 9.797 7.681) 12.449 4.974 ( 0.000 -4.657 -5.553) 7.247 4.988 ( 0.000 -1.616 -0.129) 1.622 5.432 ( -0.000 -2.500 2.639) 3.635 5.571 ( 0.000 6.389 -4.621) 7.885 5.678 ( -0.000 2.771 7.375) 7.879 5.895 ( 0.000 2.296 -4.839) 5.356 8.757 ( 0.000 -0.690 1.056) 1.261 8.777 ( -0.000 1.542 -0.024) 1.542 8.870 ( 0.000 0.967 -0.634) 1.156 8.874 ( 0.000 -0.182 -0.842) 0.861 8.953 ( -0.000 -0.794 0.966) 1.250 8.962 ( 0.000 -0.254 0.695) 0.740 9.024 ( 0.000 -0.973 -0.510) 1.099 9.038 ( 0.000 -0.844 -1.331) 1.576 9.152 ( -0.000 0.504 2.612) 2.660 9.222 ( 0.000 0.061 -1.440) 1.441 9.258 ( -0.000 1.011 -0.266) 1.045 9.261 ( -0.000 1.440 -0.747) 1.622 9.313 ( -0.000 1.276 1.421) 1.910 9.374 ( -0.000 1.019 -1.280) 1.636 9.386 ( 0.000 1.361 0.036) 1.361 9.397 ( 0.000 0.707 -1.998) 2.119 9.566 ( -0.000 -1.138 0.413) 1.211 9.578 ( 0.000 -1.088 -0.685) 1.286 9.670 ( 0.000 -2.544 2.874) 3.838 9.713 ( 0.000 -3.852 0.421) 3.875 9.951 ( -0.000 1.355 1.398) 1.947 10.003 ( -0.000 0.809 -1.652) 1.839 10.132 ( 0.000 -0.234 1.189) 1.212 10.171 ( -0.000 -0.564 -1.091) 1.228 ======================= Grid point 203 (85/125) ======================= q-point: ( 0.67 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.395 2.738 7.316) 7.822 1.026 ( -3.306 7.911 0.662) 8.599 1.214 ( 7.641 8.523 -9.671) 14.985 1.408 ( -2.029 10.904 -7.381) 13.323 1.929 ( 0.266 14.219 20.259) 24.753 2.293 ( 8.114 -0.495 -0.712) 8.161 2.465 ( -0.883 3.031 -14.577) 14.915 2.756 ( -12.333 -1.280 0.855) 12.429 3.299 ( 2.998 -6.428 7.998) 10.690 3.338 ( -1.517 -1.085 1.091) 2.161 3.430 ( -4.862 -7.236 8.652) 12.282 3.857 ( -0.684 -10.455 -21.074) 23.535 3.910 ( 1.924 -0.549 10.175) 10.370 4.071 ( -2.918 1.663 8.024) 8.699 4.108 ( 2.645 -0.841 -6.163) 6.759 4.278 ( -2.491 3.996 -7.936) 9.228 4.632 ( 4.112 -8.324 4.671) 10.393 4.786 ( 3.590 -3.739 -5.159) 7.313 4.948 ( -1.118 0.282 2.084) 2.382 5.007 ( -3.955 -1.991 1.540) 4.688 5.407 ( 4.471 2.463 3.850) 6.393 5.620 ( 0.104 5.317 -3.188) 6.200 5.752 ( -1.045 2.521 5.653) 6.277 5.896 ( 0.014 2.049 -5.559) 5.925 8.763 ( -0.374 0.089 1.334) 1.388 8.790 ( -0.215 1.036 -1.037) 1.482 8.870 ( 0.394 -0.019 0.086) 0.404 8.878 ( -0.016 0.655 -0.476) 0.810 8.923 ( 1.849 0.370 0.268) 1.905 8.980 ( -1.161 -1.114 0.713) 1.760 9.008 ( 0.046 -1.184 -0.163) 1.196 9.029 ( -0.739 -0.472 -1.224) 1.506 9.162 ( 1.112 0.755 1.941) 2.361 9.225 ( -1.117 -0.146 -0.388) 1.192 9.269 ( -0.004 1.047 -0.411) 1.125 9.273 ( 0.010 1.360 -0.735) 1.546 9.333 ( 0.384 1.200 0.992) 1.603 9.367 ( 0.626 0.665 -1.622) 1.862 9.401 ( -0.223 1.162 -0.038) 1.184 9.412 ( -0.846 1.145 -0.666) 1.572 9.551 ( 0.457 -1.168 -0.057) 1.255 9.570 ( -0.572 -1.057 0.154) 1.212 9.640 ( 1.309 -2.502 1.416) 3.159 9.666 ( 0.740 -3.395 0.526) 3.514 9.965 ( 1.002 1.311 0.767) 1.820 10.015 ( -0.963 1.204 -0.922) 1.796 10.130 ( 0.276 -0.804 0.997) 1.310 10.154 ( 0.326 -0.908 -0.984) 1.378 ======================= Grid point 204 (86/125) ======================= q-point: ( 0.78 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.955 2.342 7.044) 7.484 1.022 ( 1.054 -3.686 -12.888) 13.446 1.223 ( 9.079 15.669 2.217) 18.245 1.588 ( -7.177 14.927 -2.894) 16.813 2.053 ( 13.421 -1.367 1.166) 13.541 2.181 ( -1.390 5.954 20.189) 21.095 2.447 ( -2.105 3.707 -18.865) 19.341 2.978 ( -12.063 -2.080 0.874) 12.272 3.239 ( 1.696 -6.037 9.200) 11.134 3.355 ( 1.134 -1.363 -2.170) 2.802 3.519 ( -6.575 -3.577 7.938) 10.911 3.661 ( -2.538 -2.696 -14.309) 14.781 3.914 ( 1.232 -3.339 5.440) 6.501 3.999 ( 2.338 -2.112 -5.828) 6.625 4.199 ( -3.158 1.930 9.773) 10.450 4.312 ( -2.331 2.763 -8.614) 9.342 4.496 ( 3.610 -6.050 1.592) 7.223 4.649 ( 2.962 -5.954 -3.520) 7.524 4.977 ( -2.024 -0.225 0.414) 2.078 5.053 ( -4.955 -4.237 1.312) 6.650 5.395 ( 6.840 7.556 2.901) 10.597 5.646 ( 2.139 3.926 0.017) 4.471 5.813 ( -0.044 0.031 3.965) 3.965 5.877 ( -0.099 1.163 -5.644) 5.763 8.771 ( -0.093 -0.753 0.438) 0.876 8.809 ( -0.668 2.142 -0.292) 2.263 8.847 ( 1.412 -1.020 -0.022) 1.742 8.881 ( 0.438 0.601 -0.192) 0.768 8.926 ( 0.162 2.190 0.168) 2.203 8.969 ( 0.257 -1.843 0.021) 1.861 9.004 ( -1.012 -1.409 0.270) 1.756 9.034 ( -0.851 -0.072 -0.655) 1.077 9.160 ( 1.219 0.939 0.766) 1.718 9.244 ( -1.187 -0.000 0.427) 1.262 9.275 ( 0.174 0.739 -0.505) 0.911 9.283 ( 0.185 0.998 -0.143) 1.025 9.332 ( 1.149 0.634 -0.232) 1.332 9.364 ( 0.259 0.783 -0.254) 0.863 9.418 ( -0.535 0.631 0.656) 1.056 9.431 ( -0.697 0.793 -1.105) 1.528 9.528 ( 0.654 -1.411 0.099) 1.558 9.560 ( 0.486 -1.451 0.218) 1.546 9.609 ( 0.073 -0.829 0.246) 0.868 9.624 ( 0.721 -2.162 0.401) 2.314 9.963 ( 1.348 1.379 0.139) 1.933 10.044 ( -1.153 1.283 -0.213) 1.738 10.111 ( 0.946 -1.588 0.329) 1.877 10.136 ( 0.078 -0.923 -0.333) 0.984 ======================= Grid point 205 (87/125) ======================= q-point: (-0.11 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 5.160 -5.622 0.000) 7.631 0.916 ( 2.115 2.978 -0.000) 3.652 1.225 ( 9.615 9.618 -0.000) 13.600 1.850 ( 11.660 2.373 -0.000) 11.899 1.908 ( -9.968 16.765 -0.000) 19.504 2.381 ( -1.112 8.965 -0.000) 9.034 2.421 ( -1.630 -0.099 0.000) 1.633 3.058 ( -5.158 -5.031 0.000) 7.206 3.118 ( 9.772 -16.531 0.000) 19.203 3.200 ( -0.568 -6.811 0.000) 6.835 3.547 ( -5.656 -3.235 0.000) 6.516 3.851 ( -0.277 -6.156 0.000) 6.162 3.892 ( -10.108 14.238 -0.000) 17.461 3.954 ( 0.348 -0.211 0.000) 0.407 4.266 ( 3.050 1.772 -0.000) 3.527 4.337 ( -2.454 1.353 -0.000) 2.802 4.448 ( -3.442 -1.790 0.000) 3.879 4.532 ( 1.846 -5.979 0.000) 6.257 5.016 ( -2.714 0.201 0.000) 2.721 5.087 ( -5.723 -4.578 0.000) 7.328 5.387 ( 7.542 9.360 -0.000) 12.021 5.643 ( 3.389 2.961 -0.000) 4.501 5.749 ( 3.966 -5.283 0.000) 6.606 5.900 ( -1.216 1.254 -0.000) 1.746 8.759 ( 0.088 -1.145 0.000) 1.148 8.818 ( 1.002 -0.438 -0.000) 1.093 8.845 ( 0.137 2.271 -0.000) 2.275 8.876 ( 0.460 0.638 -0.000) 0.786 8.948 ( -0.195 -1.350 0.000) 1.364 8.954 ( -0.214 2.042 -0.000) 2.053 9.001 ( -0.865 -1.891 0.000) 2.080 9.047 ( -0.985 0.125 0.000) 0.992 9.154 ( 1.050 0.862 -0.000) 1.358 9.261 ( -0.720 -0.092 0.000) 0.726 9.276 ( 0.353 0.409 -0.000) 0.540 9.287 ( 0.520 0.602 -0.000) 0.796 9.317 ( 1.231 0.235 -0.000) 1.253 9.369 ( 0.096 0.766 -0.000) 0.772 9.435 ( 0.074 0.124 -0.000) 0.145 9.439 ( -1.056 0.021 0.000) 1.057 9.498 ( 0.973 -1.506 0.000) 1.793 9.535 ( 0.481 -1.110 0.000) 1.209 9.604 ( -0.029 -0.600 0.000) 0.600 9.617 ( -0.907 0.338 0.000) 0.968 9.957 ( 1.439 1.389 -0.000) 2.000 10.074 ( -1.011 1.071 -0.000) 1.472 10.075 ( 1.152 -1.826 0.000) 2.159 10.125 ( -0.161 -0.974 0.000) 0.987 ======================= Grid point 212 (88/125) ======================= q-point: ( 0.67 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 0.000 -0.221 11.236) 11.239 0.927 ( -0.000 4.918 1.722) 5.211 1.156 ( 0.000 9.944 -8.158) 12.862 1.177 ( -0.000 15.702 -8.685) 17.944 1.878 ( 0.000 14.139 24.140) 27.976 2.119 ( -0.000 11.531 -20.192) 23.253 2.583 ( -0.000 -4.862 5.689) 7.484 2.647 ( 0.000 -3.294 -6.437) 7.231 3.372 ( -0.000 -5.992 1.252) 6.122 3.384 ( 0.000 -6.085 -1.133) 6.190 3.617 ( -0.000 -12.512 20.819) 24.290 3.850 ( 0.000 -11.488 -22.120) 24.925 3.983 ( 0.000 0.388 9.059) 9.067 4.049 ( -0.000 2.266 2.064) 3.065 4.107 ( -0.000 1.544 -1.765) 2.345 4.164 ( -0.000 4.420 -7.363) 8.588 4.782 ( -0.000 -5.475 4.733) 7.238 4.821 ( 0.000 0.490 -1.017) 1.129 4.945 ( -0.000 0.163 1.138) 1.150 4.974 ( 0.000 0.841 -2.603) 2.736 5.466 ( 0.000 0.262 3.924) 3.933 5.516 ( -0.000 3.884 -5.216) 6.503 5.761 ( -0.000 2.276 7.583) 7.918 5.836 ( 0.000 2.321 -6.360) 6.770 8.767 ( 0.000 -0.174 0.863) 0.880 8.774 ( -0.000 0.661 -0.465) 0.808 8.866 ( -0.000 0.853 -0.130) 0.863 8.868 ( 0.000 0.396 -0.386) 0.553 8.961 ( -0.000 -0.651 0.665) 0.931 8.966 ( 0.000 -0.470 -0.087) 0.478 9.022 ( -0.000 -1.021 0.123) 1.028 9.026 ( 0.000 -0.959 -0.772) 1.231 9.179 ( -0.000 0.685 2.425) 2.520 9.203 ( 0.000 0.589 -2.036) 2.119 9.256 ( -0.011 0.908 -0.161) 0.922 9.256 ( 0.011 0.939 -0.181) 0.957 9.331 ( -0.000 1.047 1.861) 2.135 9.353 ( 0.000 0.819 -2.233) 2.379 9.386 ( 0.000 1.373 -0.021) 1.373 9.387 ( -0.000 1.283 -0.296) 1.317 9.570 ( -0.000 -1.114 0.296) 1.153 9.573 ( 0.000 -1.090 -0.301) 1.131 9.696 ( 0.000 -3.016 1.951) 3.592 9.711 ( 0.000 -3.480 -0.823) 3.576 9.967 ( -0.000 1.196 1.627) 2.019 9.985 ( -0.000 1.012 -1.727) 2.002 10.145 ( 0.000 -0.364 1.283) 1.334 10.159 ( -0.000 -0.474 -1.253) 1.339 ======================= Grid point 213 (89/125) ======================= q-point: ( 0.78 0.44 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.887 ( 1.117 1.484 -0.000) 1.858 0.984 ( -4.296 -0.447 0.000) 4.320 1.186 ( 9.048 17.013 -0.000) 19.269 1.356 ( -3.227 10.694 -0.000) 11.170 2.097 ( 3.802 13.397 -0.000) 13.926 2.238 ( -4.366 12.869 -0.000) 13.590 2.379 ( 9.645 -10.371 0.000) 14.163 2.758 ( -13.911 -0.209 0.000) 13.913 3.324 ( 0.331 -4.404 0.000) 4.417 3.350 ( -1.276 -0.746 0.000) 1.478 3.572 ( 0.737 -7.088 0.000) 7.126 3.663 ( -4.001 -13.053 0.000) 13.653 4.005 ( 2.055 0.638 -0.000) 2.152 4.023 ( 2.678 -1.794 0.000) 3.224 4.158 ( -2.341 2.858 -0.000) 3.695 4.204 ( -3.142 2.594 -0.000) 4.075 4.668 ( 6.302 -6.919 0.000) 9.359 4.746 ( 1.576 -6.330 0.000) 6.524 4.958 ( -0.898 -0.222 0.000) 0.925 5.019 ( -4.765 -1.994 0.000) 5.166 5.434 ( 6.898 5.730 -0.000) 8.967 5.592 ( -2.228 4.609 -0.000) 5.120 5.812 ( 0.174 2.538 -0.000) 2.543 5.841 ( -0.688 1.056 -0.000) 1.261 8.777 ( -0.289 -0.403 0.000) 0.496 8.778 ( -0.340 1.286 -0.000) 1.330 8.871 ( 0.389 0.199 -0.000) 0.437 8.875 ( 0.032 0.767 -0.000) 0.768 8.925 ( 1.945 0.336 -0.000) 1.974 8.984 ( -1.222 -1.290 0.000) 1.777 9.009 ( -0.154 -1.327 0.000) 1.336 9.022 ( -0.574 -0.236 0.000) 0.621 9.174 ( 1.519 0.792 -0.000) 1.713 9.222 ( -1.516 0.196 0.000) 1.528 9.266 ( 0.043 0.947 -0.000) 0.948 9.269 ( -0.115 1.228 -0.000) 1.233 9.341 ( 0.938 0.774 -0.000) 1.216 9.355 ( 0.031 1.014 -0.000) 1.014 9.401 ( -0.377 1.191 -0.000) 1.249 9.408 ( -0.626 1.121 -0.000) 1.284 9.550 ( 0.520 -1.119 0.000) 1.234 9.571 ( -0.685 -1.005 0.000) 1.217 9.648 ( 1.639 -2.731 0.000) 3.185 9.669 ( 0.500 -3.287 0.000) 3.325 9.970 ( 1.290 1.182 -0.000) 1.750 10.009 ( -1.249 1.344 -0.000) 1.835 10.139 ( 0.540 -1.028 0.000) 1.161 10.145 ( 0.068 -0.695 0.000) 0.699 ======================= Grid point 219 (90/125) ======================= q-point: ( 0.33 0.56 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 6.120 -0.000 11.276) 12.829 1.081 ( 5.515 -0.000 10.810) 12.136 1.368 ( 5.165 -0.000 23.345) 23.910 1.374 ( 11.586 0.000 -9.988) 15.297 1.660 ( 12.106 0.000 -16.593) 20.539 2.217 ( -0.751 0.000 -26.795) 26.805 2.551 ( -0.891 -0.000 4.032) 4.129 2.578 ( -2.497 0.000 1.604) 2.968 3.404 ( -4.978 -0.000 10.197) 11.347 3.492 ( -5.104 -0.000 14.150) 15.043 3.726 ( -2.534 0.000 -8.704) 9.065 3.845 ( -5.384 -0.000 5.848) 7.949 3.956 ( -2.790 -0.000 -12.910) 13.208 3.957 ( -3.521 0.000 3.658) 5.077 4.158 ( 3.228 -0.000 2.181) 3.896 4.254 ( 4.292 -0.000 -2.230) 4.836 4.790 ( -1.624 0.000 6.366) 6.570 4.797 ( 1.674 -0.000 5.746) 5.985 5.045 ( -1.696 0.000 -4.315) 4.637 5.077 ( 3.559 0.000 -6.692) 7.580 5.201 ( -1.720 0.000 -2.398) 2.951 5.288 ( -4.337 -0.000 -4.615) 6.333 5.785 ( 4.552 -0.000 6.664) 8.071 5.913 ( 1.867 0.000 -1.613) 2.467 8.759 ( -0.459 0.000 0.408) 0.614 8.777 ( 0.760 -0.000 -0.633) 0.989 8.831 ( 0.526 -0.000 1.080) 1.201 8.876 ( 0.352 0.000 -1.646) 1.683 8.973 ( -0.484 0.000 0.878) 1.003 8.986 ( -0.769 -0.000 0.332) 0.838 9.019 ( -0.244 0.000 0.771) 0.809 9.054 ( -0.341 0.000 -1.571) 1.607 9.170 ( -0.298 -0.000 1.673) 1.700 9.224 ( -0.105 0.000 -1.600) 1.603 9.253 ( 0.643 0.000 -0.128) 0.656 9.263 ( 0.516 -0.000 -0.511) 0.726 9.321 ( 1.313 -0.000 1.569) 2.046 9.369 ( 0.688 0.000 -1.651) 1.789 9.379 ( 0.745 -0.000 0.386) 0.839 9.409 ( 1.123 0.000 -1.569) 1.929 9.556 ( -1.359 0.000 1.038) 1.711 9.584 ( -0.905 -0.000 -1.071) 1.403 9.592 ( -2.153 -0.000 3.517) 4.124 9.667 ( -1.911 -0.000 -0.828) 2.083 9.947 ( 1.151 -0.000 1.172) 1.643 9.993 ( 0.601 0.000 -1.545) 1.658 10.116 ( -0.170 0.000 0.533) 0.560 10.129 ( -0.922 -0.000 -0.301) 0.969 ======================= Grid point 229 (91/125) ======================= q-point: ( 0.33 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.953 3.449 9.840) 11.151 1.222 ( 6.572 -2.624 8.273) 10.886 1.371 ( 7.259 13.860 -0.332) 15.650 1.585 ( 6.416 2.371 3.406) 7.642 1.728 ( 4.124 -0.949 -4.078) 5.877 2.141 ( 1.902 -8.056 -24.424) 25.788 2.351 ( -5.266 16.011 1.729) 16.943 2.771 ( 2.758 -20.249 2.266) 20.561 3.365 ( -3.994 4.035 9.615) 11.166 3.493 ( -4.075 -0.474 12.137) 12.812 3.672 ( -1.828 -3.570 -7.921) 8.879 3.772 ( -4.062 2.647 4.641) 6.711 3.813 ( -3.546 2.539 -10.924) 11.763 3.944 ( -5.672 -5.475 -2.673) 8.324 4.217 ( 2.263 0.017 4.536) 5.069 4.300 ( 3.067 -0.184 -2.694) 4.086 4.777 ( -3.054 2.877 5.891) 7.232 4.821 ( 0.138 2.863 7.933) 8.435 4.998 ( -0.511 3.284 -2.455) 4.132 5.031 ( -0.600 4.983 -0.850) 5.091 5.222 ( -1.601 -5.876 -2.444) 6.563 5.239 ( 1.898 -5.077 -10.557) 11.867 5.885 ( 4.275 0.453 4.875) 6.500 5.944 ( 2.805 0.352 -0.814) 2.942 8.761 ( 0.063 -0.403 0.736) 0.841 8.781 ( 0.232 -0.132 -0.991) 1.027 8.850 ( 0.980 -0.049 0.870) 1.311 8.874 ( 0.522 0.035 -1.167) 1.279 8.952 ( -0.348 2.054 0.077) 2.085 8.979 ( -1.168 -0.455 0.958) 1.578 9.022 ( -0.398 -0.242 0.232) 0.520 9.046 ( -0.165 -0.727 -0.849) 1.130 9.155 ( -0.502 2.050 0.598) 2.194 9.220 ( -0.715 -1.672 -1.033) 2.091 9.265 ( 0.931 0.093 -0.058) 0.938 9.271 ( 0.851 -0.077 -0.396) 0.942 9.347 ( 1.316 0.533 1.192) 1.854 9.375 ( 1.010 0.069 -0.620) 1.187 9.394 ( 0.633 -0.113 0.492) 0.809 9.424 ( 1.205 -0.909 -1.343) 2.020 9.544 ( -0.931 -0.138 0.947) 1.336 9.563 ( -0.807 0.346 -0.396) 0.963 9.578 ( -1.828 -0.094 2.264) 2.912 9.628 ( -1.806 0.369 -1.583) 2.430 9.959 ( 1.086 1.654 0.379) 2.015 10.014 ( 1.176 -2.026 -0.652) 2.432 10.108 ( -0.631 0.683 0.156) 0.943 10.125 ( -0.201 -0.774 0.106) 0.806 ======================= Grid point 230 (92/125) ======================= q-point: ( 0.44 0.67 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 5.972 -0.000 11.214) 12.705 1.123 ( 4.543 -0.000 -5.560) 7.181 1.348 ( 12.787 -0.000 8.036) 15.103 1.487 ( 11.693 0.000 -15.525) 19.436 1.637 ( 2.817 0.000 26.590) 26.739 1.926 ( 0.809 0.000 -27.498) 27.510 2.581 ( -1.659 -0.000 1.685) 2.365 2.588 ( -2.136 0.000 0.200) 2.145 3.515 ( -4.288 -0.000 10.552) 11.390 3.625 ( -3.791 0.000 -9.982) 10.678 3.646 ( -4.165 -0.000 14.523) 15.108 3.799 ( -3.438 0.000 -13.949) 14.366 3.920 ( -5.606 -0.000 5.347) 7.747 3.964 ( -5.096 0.000 -2.193) 5.548 4.190 ( 3.822 -0.000 3.528) 5.201 4.226 ( 4.151 0.000 -3.064) 5.159 4.843 ( 1.014 0.000 3.115) 3.275 4.845 ( 4.577 -0.000 2.768) 5.349 5.007 ( 0.238 -0.000 -1.955) 1.969 5.017 ( 4.100 0.000 -3.888) 5.651 5.201 ( -5.722 0.000 2.025) 6.069 5.238 ( -6.543 -0.000 -4.502) 7.942 5.847 ( 3.908 -0.000 4.826) 6.210 5.888 ( 3.004 0.000 -3.062) 4.289 8.764 ( -0.120 0.000 0.533) 0.546 8.770 ( 0.312 -0.000 -0.599) 0.675 8.844 ( 0.472 -0.000 1.311) 1.394 8.859 ( 0.425 0.000 -1.554) 1.611 8.982 ( -0.529 0.000 0.756) 0.923 8.987 ( -0.625 -0.000 -0.141) 0.640 9.027 ( -0.260 -0.000 0.828) 0.867 9.038 ( -0.279 0.000 -1.283) 1.313 9.188 ( -0.390 -0.000 1.729) 1.772 9.206 ( -0.299 0.000 -1.699) 1.726 9.254 ( 0.582 0.000 0.201) 0.616 9.257 ( 0.530 -0.000 -0.470) 0.708 9.337 ( 1.234 0.000 1.482) 1.928 9.353 ( 1.011 -0.000 -1.447) 1.765 9.385 ( 0.937 -0.000 0.699) 1.169 9.395 ( 1.089 0.000 -1.148) 1.582 9.565 ( -1.267 0.000 0.823) 1.511 9.574 ( -1.114 -0.000 -0.826) 1.387 9.626 ( -2.214 -0.000 2.903) 3.651 9.652 ( -2.114 -0.000 -1.932) 2.864 9.961 ( 0.967 -0.000 1.415) 1.714 9.977 ( 0.777 0.000 -1.548) 1.732 10.122 ( -0.385 0.000 0.424) 0.573 10.126 ( -0.649 -0.000 -0.349) 0.737 ======================= Grid point 239 (93/125) ======================= q-point: ( 0.33 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.055 ( 1.694 5.881 6.255) 8.751 1.291 ( 2.426 15.403 3.617) 16.007 1.371 ( 7.239 9.516 -2.718) 12.262 1.572 ( 6.737 -2.482 -6.770) 9.869 1.864 ( 1.074 -1.751 12.925) 13.087 2.066 ( -1.931 7.681 -0.938) 7.975 2.184 ( -0.140 -4.610 -15.660) 16.325 3.057 ( -0.184 -20.522 1.324) 20.565 3.274 ( -6.370 6.816 5.065) 10.615 3.474 ( -1.555 4.369 2.834) 5.434 3.630 ( -3.965 0.933 0.407) 4.094 3.682 ( -3.723 2.277 -4.472) 6.249 3.784 ( 2.678 -7.486 1.475) 8.086 3.872 ( -6.071 -3.536 -4.622) 8.410 4.281 ( 1.477 -1.449 5.588) 5.959 4.330 ( 1.624 -1.835 -3.319) 4.126 4.694 ( -4.465 4.204 2.474) 6.613 4.845 ( 0.206 -0.599 4.718) 4.760 4.918 ( 3.432 10.712 -2.087) 11.440 5.002 ( -0.787 -0.570 -0.122) 0.979 5.231 ( -3.428 -7.396 -1.528) 8.293 5.319 ( 3.948 -4.432 -4.826) 7.650 5.942 ( 2.317 3.171 2.229) 4.516 5.980 ( 3.354 1.046 -0.024) 3.513 8.762 ( -0.650 0.287 0.080) 0.715 8.791 ( 1.240 -0.799 -0.292) 1.504 8.856 ( 0.055 0.894 0.070) 0.898 8.890 ( 1.046 -0.726 0.090) 1.277 8.928 ( 0.332 1.878 -0.151) 1.914 8.963 ( -1.688 -0.176 0.151) 1.704 9.021 ( -0.134 -0.455 0.468) 0.667 9.051 ( -0.093 -0.862 -0.374) 0.945 9.125 ( -0.530 1.912 -0.175) 1.992 9.224 ( -0.920 -1.747 -0.283) 1.995 9.278 ( 1.034 0.365 -0.047) 1.098 9.285 ( 0.936 0.121 -0.074) 0.946 9.358 ( 1.026 1.457 0.355) 1.817 9.390 ( 0.781 0.085 0.443) 0.902 9.403 ( 0.679 0.280 -0.091) 0.740 9.457 ( 1.602 -2.054 -0.537) 2.660 9.536 ( -0.911 0.390 0.862) 1.313 9.541 ( -1.378 0.797 0.345) 1.629 9.568 ( -0.276 -1.019 -0.035) 1.056 9.594 ( -1.470 -0.342 -1.018) 1.820 9.956 ( 1.057 1.776 -0.013) 2.067 10.056 ( 1.216 -2.097 -0.111) 2.426 10.088 ( -0.810 0.922 0.080) 1.229 10.135 ( 0.179 -0.967 0.090) 0.987 ======================= Grid point 240 (94/125) ======================= q-point: (-0.56 -0.22 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 3.669 5.106 -0.000) 6.288 1.240 ( 5.287 -7.916 0.000) 9.519 1.412 ( 12.718 19.716 -0.000) 23.462 1.522 ( 2.392 8.141 -0.000) 8.485 1.851 ( 1.274 -6.182 0.000) 6.312 1.916 ( 4.432 -10.813 0.000) 11.687 2.361 ( -5.204 16.170 -0.000) 16.986 2.783 ( 2.686 -20.511 0.000) 20.686 3.428 ( -4.055 5.517 -0.000) 6.847 3.587 ( -6.098 -0.998 0.000) 6.180 3.620 ( -1.083 -1.563 0.000) 1.902 3.718 ( -2.713 -2.250 0.000) 3.525 3.805 ( -3.152 4.788 -0.000) 5.733 3.927 ( -7.042 -5.236 0.000) 8.775 4.260 ( 3.504 0.476 -0.000) 3.536 4.269 ( 2.198 -1.148 0.000) 2.480 4.814 ( -3.364 4.182 -0.000) 5.367 4.859 ( 2.509 3.344 -0.000) 4.181 4.983 ( 0.479 5.014 -0.000) 5.037 5.048 ( -3.286 5.751 -0.000) 6.624 5.158 ( 4.548 -7.882 0.000) 9.100 5.212 ( -4.150 -7.259 0.000) 8.361 5.924 ( 4.043 0.385 -0.000) 4.061 5.927 ( 3.269 0.537 -0.000) 3.313 8.769 ( 0.675 -0.172 -0.000) 0.697 8.772 ( -0.404 -0.342 0.000) 0.529 8.859 ( 0.384 0.219 -0.000) 0.442 8.864 ( 1.110 -0.403 -0.000) 1.181 8.953 ( -0.335 2.304 -0.000) 2.328 8.985 ( -1.353 -0.642 0.000) 1.498 9.023 ( -0.173 0.203 -0.000) 0.267 9.041 ( -0.133 -1.105 0.000) 1.113 9.159 ( -0.628 2.527 -0.000) 2.604 9.214 ( -0.779 -2.164 0.000) 2.300 9.265 ( 0.882 0.157 -0.000) 0.896 9.269 ( 0.937 -0.167 -0.000) 0.951 9.355 ( 1.204 0.936 -0.000) 1.525 9.370 ( 1.318 -0.416 -0.000) 1.382 9.399 ( 0.564 0.257 -0.000) 0.620 9.415 ( 1.271 -1.180 0.000) 1.734 9.551 ( -1.075 0.159 0.000) 1.086 9.556 ( -0.526 -0.260 0.000) 0.587 9.602 ( -2.432 0.725 0.000) 2.538 9.611 ( -1.564 -0.094 0.000) 1.567 9.961 ( 0.976 1.905 -0.000) 2.140 10.010 ( 1.275 -2.287 0.000) 2.618 10.109 ( -0.624 0.682 -0.000) 0.924 10.125 ( -0.161 -0.765 0.000) 0.781 ======================= Grid point 249 (95/125) ======================= q-point: ( 0.33 -0.11 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.161 8.859 -0.000) 8.861 1.134 ( -2.310 14.120 -0.000) 14.307 1.240 ( 3.634 18.542 -0.000) 18.895 1.777 ( 4.626 18.157 -0.000) 18.737 1.802 ( 7.261 -12.185 0.000) 14.185 2.150 ( 0.681 -8.062 0.000) 8.090 2.187 ( 0.303 -7.729 0.000) 7.735 3.025 ( -11.429 12.844 -0.000) 17.193 3.197 ( -6.326 -14.153 0.000) 15.503 3.415 ( 0.651 4.933 -0.000) 4.975 3.558 ( -4.078 2.039 0.000) 4.559 3.595 ( -2.461 -0.042 0.000) 2.462 3.812 ( -4.390 -3.026 0.000) 5.332 4.026 ( 8.909 -13.270 0.000) 15.984 4.338 ( 1.940 -0.171 -0.000) 1.947 4.375 ( 0.054 -6.424 0.000) 6.424 4.588 ( -4.500 2.662 -0.000) 5.229 4.834 ( 2.307 10.868 -0.000) 11.110 4.890 ( 2.707 0.375 -0.000) 2.733 5.010 ( -0.516 -2.849 0.000) 2.896 5.268 ( -2.586 -8.003 0.000) 8.410 5.399 ( 2.856 -2.402 0.000) 3.732 5.912 ( 0.636 6.724 -0.000) 6.754 6.009 ( 2.253 2.207 -0.000) 3.153 8.745 ( -0.698 0.519 -0.000) 0.869 8.820 ( 1.255 0.495 -0.000) 1.349 8.845 ( 0.101 -0.085 0.000) 0.132 8.903 ( 0.499 0.754 -0.000) 0.904 8.928 ( 0.907 0.067 -0.000) 0.910 8.937 ( -1.703 -0.259 0.000) 1.723 9.034 ( 0.217 -1.244 0.000) 1.263 9.057 ( -0.012 -0.564 0.000) 0.564 9.097 ( -0.523 1.297 -0.000) 1.398 9.228 ( -0.806 -1.554 0.000) 1.751 9.287 ( 0.851 0.686 -0.000) 1.092 9.291 ( 0.384 0.813 -0.000) 0.899 9.351 ( 0.590 2.205 -0.000) 2.283 9.394 ( 0.239 0.601 -0.000) 0.647 9.414 ( 0.884 0.524 -0.000) 1.027 9.496 ( -1.689 1.186 -0.000) 2.063 9.510 ( 1.757 -2.365 0.000) 2.946 9.539 ( -0.151 -1.015 0.000) 1.026 9.581 ( -0.807 -1.078 0.000) 1.346 9.587 ( 0.474 -1.576 0.000) 1.646 9.952 ( 0.879 1.721 -0.000) 1.932 10.064 ( -0.812 0.970 -0.000) 1.265 10.091 ( 0.660 -1.396 0.000) 1.544 10.153 ( 0.532 -1.155 0.000) 1.271 ======================= Grid point 258 (96/125) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -0.000 14.404 -0.000) 14.404 1.094 ( -0.000 15.238 -0.000) 15.238 1.213 ( -0.000 10.916 -0.000) 10.916 1.928 ( 0.000 -8.381 0.000) 8.381 2.062 ( -0.000 21.423 -0.000) 21.423 2.097 ( 0.000 -2.829 0.000) 2.829 2.168 ( 0.000 -13.314 0.000) 13.314 2.787 ( -0.000 11.234 -0.000) 11.234 3.060 ( 0.000 -13.552 0.000) 13.552 3.456 ( -0.000 2.888 -0.000) 2.888 3.464 ( -0.000 5.487 -0.000) 5.487 3.551 ( 0.000 -2.720 0.000) 2.720 3.745 ( 0.000 -1.544 0.000) 1.544 4.283 ( 0.000 -18.091 0.000) 18.091 4.284 ( 0.000 -0.777 0.000) 0.777 4.373 ( 0.000 -7.002 0.000) 7.002 4.499 ( -0.000 5.005 -0.000) 5.005 4.862 ( -0.000 6.131 -0.000) 6.131 4.943 ( -0.000 0.744 -0.000) 0.744 5.009 ( -0.000 0.191 -0.000) 0.191 5.221 ( 0.000 -8.795 0.000) 8.795 5.446 ( 0.000 -2.350 0.000) 2.350 5.923 ( -0.000 8.268 -0.000) 8.268 6.047 ( -0.000 3.548 -0.000) 3.548 8.735 ( -0.000 0.794 -0.000) 0.794 8.834 ( -0.000 2.672 -0.000) 2.672 8.872 ( 0.000 -2.164 0.000) 2.164 8.894 ( 0.000 -0.088 0.000) 0.088 8.912 ( -0.000 0.297 -0.000) 0.297 8.942 ( -0.000 0.238 -0.000) 0.238 9.039 ( 0.000 -1.618 0.000) 1.618 9.052 ( 0.000 -1.038 0.000) 1.038 9.091 ( -0.000 1.502 -0.000) 1.502 9.213 ( 0.000 -1.710 0.000) 1.710 9.295 ( -0.000 1.346 -0.000) 1.346 9.302 ( -0.000 1.046 -0.000) 1.046 9.362 ( -0.000 2.680 -0.000) 2.680 9.410 ( -0.000 1.702 -0.000) 1.702 9.419 ( -0.000 1.433 -0.000) 1.433 9.468 ( 0.000 -0.640 0.000) 0.640 9.531 ( 0.000 -1.203 0.000) 1.203 9.543 ( 0.000 -1.312 0.000) 1.312 9.570 ( 0.000 -3.454 0.000) 3.454 9.596 ( 0.000 -1.816 0.000) 1.816 9.969 ( -0.000 2.156 -0.000) 2.156 10.049 ( -0.000 0.854 -0.000) 0.854 10.100 ( 0.000 -0.879 0.000) 0.879 10.163 ( 0.000 -1.656 0.000) 1.656 ======================= Grid point 259 (97/125) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.127 ( 3.483 11.824 -5.175) 13.369 1.251 ( -2.743 14.185 -3.482) 14.862 1.426 ( -3.204 12.461 11.527) 17.275 1.733 ( 3.901 -8.738 -14.554) 17.418 1.973 ( 3.434 -11.839 -4.297) 13.054 2.085 ( 0.078 -3.374 13.962) 14.365 2.245 ( 4.938 12.411 5.063) 14.284 2.941 ( -3.950 -13.613 -1.423) 14.246 3.036 ( -7.037 17.304 -1.265) 18.723 3.468 ( 0.136 3.890 -3.654) 5.339 3.518 ( -1.873 2.345 -5.367) 6.149 3.588 ( -2.198 1.519 7.975) 8.411 3.748 ( -1.586 -2.595 4.971) 5.827 3.984 ( 7.062 -17.394 -1.645) 18.845 4.280 ( -0.942 -3.536 -5.618) 6.704 4.323 ( -2.481 -4.749 2.404) 5.872 4.575 ( -1.914 5.629 -1.659) 6.173 4.844 ( 0.703 -4.910 -0.763) 5.018 4.958 ( -1.009 0.895 -1.336) 1.898 5.037 ( 1.230 5.389 -6.658) 8.653 5.166 ( -0.495 -3.650 8.404) 9.176 5.410 ( 1.587 -3.837 4.199) 5.906 5.993 ( 0.901 5.835 -1.618) 6.122 6.065 ( 1.626 2.185 -1.085) 2.931 8.749 ( -0.188 1.298 0.223) 1.330 8.834 ( 1.136 -1.972 0.042) 2.276 8.859 ( 0.345 2.221 -0.169) 2.254 8.906 ( -0.690 0.170 -0.842) 1.102 8.916 ( -0.464 0.033 0.982) 1.086 8.939 ( 0.257 -0.168 0.148) 0.341 9.020 ( 0.064 -0.885 -0.839) 1.221 9.042 ( -0.359 -1.121 -0.146) 1.186 9.113 ( -0.141 1.725 0.977) 1.988 9.198 ( -0.544 -1.782 0.238) 1.879 9.306 ( 0.322 0.934 -0.132) 0.997 9.308 ( 0.646 0.754 0.017) 0.993 9.384 ( 0.511 2.127 -0.437) 2.231 9.415 ( 1.116 1.187 -0.243) 1.647 9.430 ( 0.536 0.323 -0.294) 0.691 9.476 ( -1.642 0.680 -1.402) 2.264 9.505 ( 1.084 -2.516 0.864) 2.873 9.534 ( 0.029 -0.122 0.347) 0.369 9.549 ( -1.210 -1.808 0.672) 2.276 9.575 ( 0.273 -1.670 0.376) 1.733 9.988 ( 0.755 2.196 0.132) 2.326 10.065 ( -0.538 1.217 -0.266) 1.357 10.084 ( 0.463 -1.548 0.213) 1.630 10.141 ( 0.139 -1.782 -0.152) 1.794 ======================= Grid point 260 (98/125) ======================= q-point: ( 0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 4.282 8.802 -9.126) 13.382 1.388 ( 4.086 -3.571 -2.500) 5.975 1.468 ( 0.064 8.012 -7.620) 11.057 1.732 ( -2.916 -0.371 -3.547) 4.607 1.774 ( 3.360 0.587 8.148) 8.833 2.137 ( -2.670 -7.453 19.435) 20.985 2.343 ( 5.667 19.617 0.431) 20.424 2.803 ( -1.072 -18.614 -1.306) 18.691 3.254 ( -2.833 9.850 -6.726) 12.260 3.445 ( 1.761 -4.475 -6.170) 7.823 3.591 ( -5.906 3.948 -3.175) 7.781 3.676 ( -0.890 0.009 6.470) 6.531 3.755 ( 0.806 -2.807 2.377) 3.765 3.800 ( -3.259 -4.099 8.404) 9.902 4.228 ( -1.091 -1.065 -7.426) 7.581 4.330 ( -1.868 -2.449 1.756) 3.546 4.658 ( -3.043 4.736 -4.646) 7.299 4.768 ( -0.669 -4.695 -5.097) 6.962 4.974 ( -1.359 0.665 -2.453) 2.882 5.019 ( -1.433 -0.666 -5.442) 5.666 5.221 ( 2.495 4.293 11.307) 12.350 5.357 ( 3.045 -5.230 8.949) 10.804 6.001 ( 2.759 2.595 -3.522) 5.172 6.036 ( 2.748 0.736 -1.720) 3.324 8.765 ( 0.200 0.906 -0.181) 0.946 8.800 ( 0.852 -1.127 0.591) 1.531 8.874 ( 0.427 1.397 0.118) 1.466 8.897 ( 0.839 -0.608 0.019) 1.036 8.935 ( -1.276 -0.145 -0.433) 1.355 8.942 ( -0.419 0.438 0.168) 0.629 9.012 ( -0.196 0.110 -0.872) 0.901 9.036 ( -0.476 -1.041 0.144) 1.153 9.141 ( -0.275 1.703 0.557) 1.813 9.193 ( -0.870 -1.610 1.139) 2.156 9.300 ( 1.114 0.388 0.030) 1.180 9.302 ( 0.928 0.211 -0.063) 0.954 9.388 ( 1.146 1.187 -0.918) 1.888 9.404 ( 0.901 0.666 -0.951) 1.470 9.418 ( 0.813 -0.144 -0.234) 0.859 9.462 ( 1.263 -1.615 1.321) 2.439 9.509 ( -1.983 0.621 -2.375) 3.156 9.535 ( 0.095 0.080 -0.024) 0.127 9.558 ( -0.079 -0.969 0.827) 1.276 9.570 ( -1.823 -0.475 1.777) 2.590 9.998 ( 1.232 2.165 0.038) 2.491 10.051 ( 1.051 -2.112 0.293) 2.377 10.089 ( -0.600 1.301 -0.239) 1.452 10.121 ( -0.112 -1.472 -0.232) 1.495 ======================= Grid point 261 (99/125) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 5.384 -0.000 -10.932) 12.186 1.215 ( 3.802 -0.000 -10.508) 11.174 1.521 ( 4.570 -0.000 -15.526) 16.185 1.599 ( 1.754 0.000 9.045) 9.214 1.919 ( 2.274 0.000 16.019) 16.179 2.222 ( -0.636 0.000 22.775) 22.784 2.505 ( -0.293 -0.000 -4.894) 4.903 2.565 ( 2.878 0.000 0.249) 2.888 3.304 ( -0.611 -0.000 -9.881) 9.900 3.346 ( -3.297 -0.000 -11.007) 11.490 3.669 ( -5.629 -0.000 -7.393) 9.292 3.702 ( 0.640 0.000 9.006) 9.028 3.848 ( -3.607 0.000 2.231) 4.242 3.859 ( -3.015 0.000 13.524) 13.856 4.207 ( -0.607 -0.000 -5.498) 5.531 4.343 ( 0.316 0.000 2.154) 2.177 4.710 ( -2.768 -0.000 -7.373) 7.876 4.723 ( -3.686 -0.000 -11.502) 12.078 4.991 ( -1.653 -0.000 -0.356) 1.691 5.037 ( -3.684 -0.000 -1.915) 4.152 5.268 ( 4.140 0.000 10.597) 11.377 5.313 ( 3.638 0.000 12.342) 12.867 5.930 ( 4.402 -0.000 -5.535) 7.072 5.990 ( 2.707 -0.000 -1.549) 3.119 8.758 ( 0.445 -0.000 -0.779) 0.897 8.792 ( 0.405 0.000 1.122) 1.192 8.868 ( 1.504 0.000 -0.104) 1.508 8.886 ( 0.156 0.000 0.817) 0.832 8.952 ( -1.361 -0.000 -0.725) 1.542 8.953 ( -0.608 -0.000 -0.387) 0.720 9.013 ( -0.205 -0.000 -0.842) 0.867 9.040 ( -0.579 0.000 0.734) 0.935 9.157 ( -0.316 -0.000 -0.514) 0.603 9.206 ( -0.858 0.000 2.103) 2.271 9.284 ( 1.234 0.000 0.136) 1.242 9.288 ( 0.987 0.000 0.223) 1.012 9.365 ( 1.455 -0.000 -1.578) 2.147 9.396 ( 0.979 0.000 0.546) 1.121 9.398 ( 0.534 -0.000 -0.971) 1.109 9.443 ( 1.094 0.000 1.688) 2.011 9.524 ( -1.108 -0.000 -2.623) 2.848 9.537 ( -0.943 -0.000 -1.130) 1.472 9.563 ( -0.365 0.000 1.333) 1.382 9.608 ( -1.976 0.000 1.501) 2.482 9.991 ( 1.579 -0.000 -0.641) 1.704 10.020 ( 1.016 0.000 1.090) 1.490 10.107 ( -0.492 -0.000 -0.316) 0.585 10.111 ( -0.272 -0.000 -0.246) 0.367 ======================= Grid point 268 (100/125) ======================= q-point: ( 0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 0.000 12.876 -11.552) 17.298 1.026 ( -0.000 14.390 3.369) 14.780 1.348 ( -0.000 12.160 16.997) 20.899 1.741 ( 0.000 -6.137 -22.451) 23.275 1.994 ( 0.000 12.867 -8.765) 15.568 2.232 ( -0.000 -4.503 8.426) 9.554 2.282 ( -0.000 -4.976 21.619) 22.185 2.770 ( -0.000 11.157 -3.219) 11.612 3.048 ( 0.000 -13.041 -1.838) 13.170 3.411 ( 0.000 1.045 -5.424) 5.523 3.433 ( 0.000 5.278 -4.809) 7.141 3.621 ( -0.000 -0.894 10.012) 10.051 3.789 ( -0.000 -1.227 7.432) 7.533 4.218 ( 0.000 -13.786 -10.695) 17.448 4.268 ( 0.000 -0.935 -2.929) 3.075 4.397 ( 0.000 -11.743 2.746) 12.060 4.483 ( -0.000 5.921 -2.597) 6.465 4.876 ( -0.000 4.735 2.371) 5.296 4.938 ( 0.000 -0.014 -0.666) 0.667 4.975 ( 0.000 -1.683 -5.761) 6.002 5.253 ( -0.000 -5.711 5.504) 7.931 5.484 ( -0.000 -1.929 6.489) 6.770 5.906 ( -0.000 8.233 -3.210) 8.836 6.037 ( 0.000 3.393 -1.941) 3.909 8.737 ( -0.000 0.788 0.526) 0.947 8.832 ( -0.000 2.613 -0.307) 2.631 8.869 ( 0.000 -1.948 -0.457) 2.001 8.892 ( 0.000 0.035 -0.280) 0.283 8.917 ( -0.000 0.155 0.972) 0.984 8.945 ( -0.000 0.058 0.458) 0.461 9.028 ( 0.000 -1.214 -1.619) 2.023 9.048 ( 0.000 -0.975 -0.841) 1.288 9.106 ( -0.000 1.097 2.414) 2.652 9.213 ( 0.000 -1.532 0.021) 1.532 9.294 ( -0.000 1.325 -0.269) 1.352 9.303 ( -0.000 0.995 0.058) 0.997 9.358 ( -0.000 2.632 -0.741) 2.734 9.412 ( -0.000 1.580 0.333) 1.615 9.417 ( -0.000 1.344 -0.400) 1.402 9.453 ( 0.000 -0.472 -2.388) 2.434 9.534 ( 0.000 -0.897 0.440) 0.999 9.558 ( -0.000 -1.730 2.368) 2.932 9.563 ( 0.000 -2.615 -0.953) 2.784 9.606 ( 0.000 -2.534 1.340) 2.866 9.971 ( -0.000 2.111 0.405) 2.149 10.046 ( 0.000 0.901 -0.560) 1.061 10.102 ( 0.000 -0.912 0.391) 0.993 10.162 ( 0.000 -1.637 -0.352) 1.675 ======================= Grid point 269 (101/125) ======================= q-point: ( 0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 3.032 10.958 -9.999) 15.141 1.252 ( -3.620 14.664 2.564) 15.320 1.502 ( 3.934 -5.003 -12.717) 14.221 1.616 ( -3.891 9.225 9.156) 13.567 1.923 ( 3.602 -8.716 -5.185) 10.762 2.208 ( 8.220 10.303 8.156) 15.500 2.362 ( -1.857 -6.267 14.925) 16.293 2.921 ( -3.998 -11.317 -1.358) 12.079 3.007 ( -5.166 15.733 -3.879) 17.008 3.425 ( -2.577 3.954 -3.606) 5.940 3.461 ( -0.920 2.391 -5.145) 5.748 3.684 ( -0.400 0.867 9.571) 9.619 3.831 ( -1.425 -2.273 9.132) 9.518 3.948 ( 4.867 -14.416 -4.997) 16.014 4.206 ( 0.929 -3.331 -7.992) 8.708 4.337 ( -4.132 -6.848 0.637) 8.023 4.541 ( -0.966 5.736 -4.515) 7.364 4.817 ( 1.962 -6.060 -4.767) 7.956 4.940 ( -1.071 0.448 -1.377) 1.801 4.973 ( -1.522 0.237 -4.284) 4.552 5.274 ( 1.133 1.927 11.071) 11.294 5.487 ( 1.467 -2.962 9.450) 10.012 5.960 ( 0.860 5.815 -4.631) 7.483 6.042 ( 1.460 1.897 -3.235) 4.024 8.754 ( -0.080 1.211 0.629) 1.367 8.834 ( 1.131 -1.475 -0.074) 1.860 8.856 ( -0.009 1.787 -0.330) 1.818 8.899 ( -0.424 0.277 -0.616) 0.798 8.927 ( -0.305 0.124 1.002) 1.055 8.942 ( 0.178 -0.489 0.368) 0.637 9.007 ( 0.058 -0.591 -1.395) 1.516 9.038 ( -0.656 -1.031 -0.747) 1.432 9.131 ( 0.192 1.355 2.215) 2.604 9.203 ( -0.609 -1.376 0.683) 1.652 9.304 ( 0.259 0.945 -0.380) 1.051 9.308 ( 0.601 0.673 -0.090) 0.907 9.377 ( 0.457 2.074 -0.902) 2.308 9.408 ( 1.290 0.619 -1.027) 1.761 9.425 ( 0.362 0.308 -0.562) 0.736 9.458 ( -1.647 0.759 -1.654) 2.454 9.513 ( 1.172 -2.129 0.732) 2.538 9.540 ( -0.013 -0.365 0.637) 0.734 9.562 ( -1.121 -1.295 1.604) 2.346 9.582 ( 0.286 -1.925 0.877) 2.135 9.991 ( 0.827 2.125 0.366) 2.309 10.060 ( -0.546 1.218 -0.607) 1.466 10.088 ( 0.425 -1.516 0.487) 1.648 10.138 ( 0.116 -1.754 -0.436) 1.811 ======================= Grid point 270 (102/125) ======================= q-point: ( 0.67 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.037 ( 4.119 8.024 -9.925) 13.411 1.262 ( 3.978 -7.243 -15.588) 17.643 1.447 ( 1.499 10.654 -1.437) 10.854 1.725 ( 1.398 -9.129 6.096) 11.066 1.905 ( -3.183 11.786 11.070) 16.480 2.278 ( -0.253 6.794 4.167) 7.974 2.401 ( 2.569 3.010 12.437) 13.052 2.797 ( 0.436 -16.544 1.350) 16.604 3.168 ( -1.105 9.358 -8.884) 12.951 3.377 ( 3.793 -7.130 -6.622) 10.444 3.536 ( -6.033 1.050 -6.347) 8.819 3.743 ( -1.739 1.611 4.422) 5.018 3.800 ( -0.215 1.162 7.140) 7.237 3.911 ( -2.700 -3.697 11.346) 12.235 4.138 ( -2.103 -0.351 -9.108) 9.354 4.341 ( -3.117 -3.376 0.616) 4.636 4.586 ( -1.750 4.247 -8.782) 9.910 4.692 ( 1.073 -4.697 -8.430) 9.710 4.960 ( -2.079 -0.211 -0.209) 2.101 4.980 ( -3.143 -1.512 -2.354) 4.208 5.345 ( 3.392 5.131 11.954) 13.444 5.470 ( 2.844 -4.060 11.487) 12.511 5.949 ( 3.045 2.255 -6.190) 7.257 6.007 ( 1.982 0.751 -3.751) 4.308 8.763 ( 0.580 0.392 -0.166) 0.719 8.808 ( 0.661 -0.651 0.900) 1.292 8.874 ( 0.077 1.634 -0.059) 1.637 8.896 ( 0.763 -0.043 -0.140) 0.777 8.931 ( -1.031 -1.020 -0.356) 1.494 8.945 ( -0.173 0.316 0.434) 0.564 9.002 ( -0.348 0.250 -1.058) 1.142 9.036 ( -0.859 -0.860 -0.320) 1.257 9.151 ( 0.291 1.021 1.209) 1.608 9.209 ( -0.912 -0.844 1.770) 2.163 9.300 ( 0.937 0.318 -0.057) 0.992 9.301 ( 0.780 0.300 -0.211) 0.862 9.375 ( 1.300 0.786 -1.511) 2.143 9.393 ( 0.585 0.861 -0.905) 1.379 9.415 ( 0.529 -0.386 -0.161) 0.674 9.477 ( 0.881 -0.666 1.155) 1.598 9.483 ( -1.221 -0.196 -2.132) 2.465 9.536 ( 0.407 -0.274 0.041) 0.493 9.569 ( -0.136 -0.712 1.194) 1.396 9.587 ( -1.771 -0.229 1.348) 2.237 9.998 ( 1.374 1.958 0.059) 2.393 10.055 ( 0.919 -1.830 0.539) 2.117 10.085 ( -0.588 1.204 -0.387) 1.394 10.118 ( -0.161 -1.454 -0.425) 1.523 ======================= Grid point 271 (103/125) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 5.750 -0.000 -11.424) 12.789 1.089 ( 2.833 -0.000 -11.563) 11.905 1.389 ( 6.705 -0.000 -9.122) 11.321 1.727 ( 2.398 0.000 13.423) 13.636 2.081 ( 0.199 0.000 13.631) 13.633 2.410 ( -7.312 -0.000 -0.158) 7.314 2.484 ( 3.471 0.000 13.391) 13.834 2.572 ( 6.500 0.000 1.455) 6.661 3.196 ( -0.089 -0.000 -10.259) 10.259 3.230 ( -1.645 -0.000 -10.322) 10.452 3.592 ( -5.997 -0.000 -6.608) 8.924 3.782 ( -0.119 0.000 4.344) 4.346 3.873 ( -0.082 0.000 3.481) 3.482 4.001 ( -3.711 0.000 12.597) 13.133 4.163 ( -3.190 -0.000 -1.974) 3.751 4.362 ( -0.417 0.000 1.749) 1.798 4.580 ( -3.035 -0.000 -14.363) 14.680 4.623 ( -1.825 -0.000 -8.720) 8.909 5.000 ( -2.718 0.000 1.304) 3.014 5.025 ( -4.922 -0.000 -0.473) 4.945 5.390 ( 4.757 0.000 11.981) 12.891 5.437 ( 4.244 0.000 10.584) 11.403 5.859 ( 4.601 -0.000 -7.815) 9.069 5.965 ( 1.669 -0.000 -2.979) 3.414 8.751 ( 0.471 -0.000 -0.482) 0.674 8.803 ( 0.474 0.000 0.860) 0.982 8.868 ( 1.901 0.000 0.113) 1.904 8.893 ( -0.260 0.000 0.478) 0.545 8.943 ( -1.534 -0.000 -0.801) 1.731 8.952 ( -0.321 0.000 0.228) 0.394 9.003 ( -0.229 -0.000 -1.080) 1.104 9.046 ( -1.039 0.000 0.263) 1.071 9.156 ( 0.269 0.000 0.323) 0.420 9.228 ( -0.717 0.000 2.074) 2.195 9.286 ( 1.129 0.000 0.325) 1.174 9.289 ( 0.758 0.000 -0.070) 0.761 9.347 ( 1.448 -0.000 -1.759) 2.278 9.390 ( 0.354 -0.000 -0.651) 0.740 9.403 ( 0.556 0.000 0.767) 0.947 9.461 ( 1.107 0.000 1.509) 1.872 9.492 ( -1.313 -0.000 -3.017) 3.290 9.529 ( -0.139 -0.000 -0.541) 0.558 9.578 ( -0.408 0.000 1.411) 1.468 9.620 ( -1.725 0.000 0.663) 1.848 9.985 ( 1.742 -0.000 -0.436) 1.796 10.032 ( 0.897 0.000 1.051) 1.381 10.104 ( -0.617 -0.000 -0.277) 0.676 10.107 ( -0.274 -0.000 -0.466) 0.541 ======================= Grid point 278 (104/125) ======================= q-point: ( 0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 0.000 10.196 -6.760) 12.233 1.073 ( 0.000 13.932 4.720) 14.710 1.512 ( 0.000 -4.659 -19.517) 20.066 1.519 ( 0.000 12.118 13.013) 17.782 1.918 ( 0.000 9.789 -3.503) 10.396 2.323 ( -0.000 -1.234 8.411) 8.501 2.481 ( 0.000 -6.356 13.869) 15.256 2.715 ( -0.000 11.794 -7.515) 13.985 3.044 ( 0.000 -11.379 3.146) 11.806 3.361 ( 0.000 0.199 -3.685) 3.690 3.382 ( -0.000 4.467 -4.115) 6.074 3.739 ( -0.000 -0.137 11.637) 11.638 3.885 ( 0.000 -0.712 10.027) 10.052 4.070 ( 0.000 -10.917 -16.713) 19.963 4.225 ( -0.000 -1.292 -5.021) 5.184 4.393 ( 0.000 -6.252 -4.654) 7.794 4.477 ( 0.000 -1.483 2.834) 3.199 4.894 ( 0.000 -7.378 -6.142) 9.600 4.909 ( 0.000 5.034 0.558) 5.064 4.934 ( 0.000 -1.338 0.011) 1.338 5.329 ( -0.000 -0.740 8.450) 8.483 5.571 ( 0.000 -1.026 9.261) 9.318 5.856 ( 0.000 8.050 -5.917) 9.990 6.006 ( 0.000 2.958 -3.856) 4.860 8.746 ( 0.000 0.781 0.996) 1.266 8.825 ( -0.000 2.054 -1.086) 2.324 8.867 ( -0.000 -1.245 0.158) 1.255 8.889 ( 0.000 0.240 -0.324) 0.403 8.929 ( -0.000 0.048 1.115) 1.116 8.950 ( 0.000 -0.292 0.450) 0.536 9.011 ( 0.000 -1.015 -1.325) 1.669 9.036 ( 0.000 -0.830 -1.319) 1.558 9.135 ( -0.000 0.885 2.936) 3.066 9.214 ( 0.000 -1.065 0.074) 1.068 9.290 ( -0.000 1.257 -0.488) 1.348 9.302 ( -0.000 0.983 -0.357) 1.046 9.350 ( -0.000 2.380 -0.538) 2.440 9.410 ( -0.000 1.076 -0.967) 1.447 9.415 ( -0.000 1.272 0.090) 1.275 9.427 ( 0.000 -0.047 -2.167) 2.167 9.540 ( -0.000 -0.692 0.580) 0.903 9.554 ( 0.000 -1.741 -0.556) 1.827 9.585 ( 0.000 -2.174 2.537) 3.341 9.620 ( 0.000 -3.073 1.230) 3.310 9.977 ( -0.000 1.990 0.756) 2.129 10.038 ( -0.000 1.033 -0.969) 1.416 10.108 ( 0.000 -1.004 0.684) 1.215 10.156 ( -0.000 -1.583 -0.661) 1.715 ======================= Grid point 279 (105/125) ======================= q-point: ( 0.67 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.944 ( 2.153 8.694 -6.296) 10.948 1.240 ( -1.087 5.262 -10.623) 11.905 1.375 ( 1.939 2.841 -1.251) 3.660 1.734 ( -2.715 13.721 4.286) 14.629 1.898 ( 2.049 -8.114 4.969) 9.733 2.281 ( 10.313 9.098 5.760) 14.910 2.487 ( -4.368 -8.686 6.070) 11.462 2.913 ( -6.200 4.099 -3.143) 8.070 2.989 ( 0.204 1.115 5.259) 5.380 3.395 ( -4.679 2.768 -2.280) 5.895 3.414 ( -0.067 2.916 -3.458) 4.524 3.778 ( 2.680 -3.382 5.547) 7.028 3.844 ( 0.781 -5.336 -6.945) 8.793 3.964 ( -3.272 -2.287 10.312) 11.057 4.122 ( 3.428 -3.941 -7.218) 8.909 4.337 ( -5.659 -8.121 -1.062) 9.955 4.489 ( 1.091 4.270 -4.292) 6.152 4.744 ( 2.504 -6.439 -8.445) 10.911 4.934 ( -1.563 -0.557 0.059) 1.660 4.946 ( -2.671 -2.075 -1.244) 3.604 5.396 ( 2.171 4.677 11.767) 12.847 5.596 ( 1.456 -1.885 10.445) 10.713 5.897 ( 0.634 5.616 -6.833) 8.867 5.997 ( 1.182 1.383 -5.271) 5.576 8.762 ( 0.172 1.020 0.898) 1.370 8.831 ( 0.438 0.112 -0.635) 0.779 8.854 ( 0.273 0.335 -0.005) 0.432 8.893 ( -0.273 0.286 -0.409) 0.569 8.937 ( 0.006 0.470 0.899) 1.015 8.946 ( -0.006 -0.903 0.401) 0.988 8.993 ( 0.045 -0.539 -1.120) 1.244 9.028 ( -0.883 -0.856 -1.034) 1.607 9.157 ( 0.576 1.022 2.448) 2.715 9.212 ( -0.760 -0.711 0.997) 1.441 9.298 ( 0.170 0.906 -0.629) 1.116 9.305 ( 0.473 0.658 -0.474) 0.939 9.367 ( 0.525 1.825 -0.733) 2.035 9.395 ( 1.179 0.406 -1.351) 1.838 9.419 ( 0.085 0.213 -0.456) 0.511 9.442 ( -1.411 0.569 -1.359) 2.040 9.521 ( 1.153 -1.382 0.667) 1.919 9.547 ( -0.044 -0.398 0.602) 0.723 9.579 ( -0.710 -1.409 1.449) 2.142 9.592 ( 0.177 -2.094 0.946) 2.304 9.996 ( 0.988 1.998 0.500) 2.285 10.053 ( -0.672 1.346 -0.713) 1.665 10.094 ( 0.447 -1.588 0.637) 1.768 10.132 ( 0.065 -1.698 -0.648) 1.818 ======================= Grid point 280 (106/125) ======================= q-point: ( 0.78 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( 4.076 5.142 -6.573) 9.287 1.100 ( 2.837 -4.276 -13.904) 14.821 1.433 ( 5.883 5.508 -0.728) 8.091 1.822 ( -0.159 -2.904 10.509) 10.904 1.989 ( -5.915 12.195 4.353) 14.236 2.290 ( 0.496 3.189 -0.119) 3.230 2.523 ( 0.438 3.988 8.222) 9.148 2.860 ( 3.385 -14.309 10.779) 18.231 3.074 ( 0.022 8.296 -8.185) 11.655 3.297 ( 5.192 -9.971 -8.836) 14.299 3.471 ( -5.663 -0.461 -5.248) 7.735 3.777 ( -2.158 2.036 2.930) 4.170 3.888 ( -2.309 5.695 7.680) 9.837 3.992 ( 0.699 -1.344 -1.779) 2.336 4.082 ( -5.817 -2.522 4.786) 7.943 4.347 ( -4.608 -4.440 0.448) 6.415 4.479 ( 0.577 2.688 -10.651) 11.000 4.603 ( 1.832 -3.874 -7.862) 8.954 4.963 ( -3.095 -0.943 -0.008) 3.236 4.964 ( -3.697 -1.784 -0.326) 4.118 5.471 ( 4.272 6.176 11.400) 13.651 5.590 ( 3.065 -3.259 10.619) 11.523 5.872 ( 3.164 1.536 -8.076) 8.809 5.959 ( 0.953 0.734 -5.067) 5.208 8.762 ( 0.881 0.025 -0.084) 0.886 8.818 ( 0.693 -0.400 0.933) 1.229 8.871 ( -0.518 2.014 -0.473) 2.132 8.894 ( 0.605 0.323 -0.218) 0.720 8.928 ( -0.456 -1.664 -0.099) 1.729 8.952 ( -0.105 0.173 0.907) 0.929 8.990 ( -0.424 0.246 -1.161) 1.260 9.031 ( -1.184 -0.658 -0.498) 1.443 9.165 ( 0.771 0.592 1.348) 1.662 9.229 ( -0.889 -0.241 1.862) 2.077 9.296 ( 0.510 0.271 -0.691) 0.900 9.300 ( 0.709 0.404 -0.029) 0.816 9.358 ( 1.465 0.571 -1.450) 2.139 9.385 ( 0.402 0.853 -0.501) 1.068 9.415 ( 0.101 -0.399 0.222) 0.468 9.457 ( -1.228 0.015 -2.193) 2.514 9.493 ( 1.305 -0.820 1.203) 1.955 9.536 ( 0.701 -0.491 0.001) 0.856 9.582 ( -0.267 -0.614 1.125) 1.309 9.597 ( -1.550 -0.178 0.649) 1.689 9.999 ( 1.540 1.730 0.053) 2.317 10.062 ( 0.751 -1.448 0.668) 1.763 10.081 ( -0.539 1.040 -0.436) 1.250 10.113 ( -0.239 -1.446 -0.474) 1.540 ======================= Grid point 281 (107/125) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.842 ( 6.310 -0.000 -8.025) 10.209 0.987 ( 2.268 -0.000 -6.982) 7.341 1.323 ( 8.265 -0.000 -3.601) 9.016 1.863 ( 4.036 0.000 11.236) 11.938 2.195 ( -3.919 0.000 7.439) 8.408 2.337 ( -7.283 -0.000 -7.915) 10.755 2.598 ( 13.219 0.000 3.240) 13.610 2.668 ( -0.391 0.000 15.305) 15.310 3.093 ( -1.351 -0.000 -8.326) 8.435 3.129 ( -0.108 -0.000 -8.436) 8.437 3.536 ( -6.444 -0.000 -3.649) 7.405 3.789 ( 0.416 -0.000 -1.542) 1.597 3.918 ( 2.179 0.000 3.427) 4.061 4.117 ( -4.230 0.000 8.597) 9.581 4.183 ( -5.389 0.000 6.156) 8.182 4.386 ( -1.423 0.000 3.024) 3.342 4.427 ( -3.026 -0.000 -14.164) 14.483 4.528 ( -0.575 -0.000 -8.830) 8.849 5.012 ( -3.181 0.000 0.854) 3.294 5.024 ( -5.780 -0.000 0.047) 5.780 5.518 ( 5.253 0.000 11.841) 12.953 5.531 ( 5.336 0.000 6.680) 8.550 5.765 ( 4.565 -0.000 -9.542) 10.578 5.932 ( 0.421 -0.000 -2.799) 2.830 8.748 ( 0.487 -0.000 -0.221) 0.535 8.810 ( 0.590 0.000 0.465) 0.751 8.870 ( 2.146 0.000 0.129) 2.150 8.896 ( -0.520 0.000 0.071) 0.524 8.936 ( -1.679 -0.000 -0.506) 1.753 8.958 ( -0.219 0.000 0.979) 1.003 8.990 ( -0.172 -0.000 -1.277) 1.289 9.047 ( -1.371 -0.000 -0.025) 1.371 9.162 ( 0.749 0.000 0.536) 0.921 9.249 ( -0.537 0.000 1.677) 1.760 9.285 ( 0.527 -0.000 -0.535) 0.751 9.291 ( 0.930 0.000 0.450) 1.034 9.330 ( 1.493 -0.000 -1.416) 2.058 9.385 ( 0.237 -0.000 -0.328) 0.405 9.414 ( 0.095 0.000 1.364) 1.367 9.459 ( -0.946 -0.000 -2.546) 2.716 9.476 ( 1.016 0.000 0.888) 1.350 9.524 ( 0.186 -0.000 -0.412) 0.452 9.591 ( -0.507 0.000 1.087) 1.199 9.623 ( -1.456 -0.000 0.017) 1.456 9.982 ( 1.851 0.000 -0.221) 1.864 10.041 ( 0.851 0.000 0.728) 1.120 10.102 ( -0.495 0.000 -0.308) 0.583 10.102 ( -0.531 0.000 -0.283) 0.602 ======================= Grid point 282 (108/125) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 6.663 0.000 -0.000) 6.663 0.949 ( 2.075 0.000 -0.000) 2.075 1.305 ( 8.797 0.000 -0.000) 8.797 1.933 ( 5.963 0.000 -0.000) 5.963 2.235 ( -6.311 -0.000 0.000) 6.311 2.285 ( -9.359 -0.000 0.000) 9.359 2.622 ( 17.804 0.000 -0.000) 17.804 2.762 ( -1.588 -0.000 0.000) 1.588 3.043 ( -3.109 -0.000 0.000) 3.109 3.074 ( 0.950 0.000 -0.000) 0.950 3.517 ( -6.604 -0.000 0.000) 6.604 3.777 ( 1.271 0.000 -0.000) 1.271 3.936 ( 1.752 0.000 -0.000) 1.752 4.166 ( -4.511 -0.000 0.000) 4.511 4.278 ( -13.292 -0.000 0.000) 13.292 4.291 ( 4.704 0.000 -0.000) 4.704 4.424 ( -6.190 -0.000 0.000) 6.190 4.455 ( 4.381 0.000 -0.000) 4.381 5.017 ( -3.310 -0.000 0.000) 3.310 5.024 ( -6.077 -0.000 0.000) 6.077 5.568 ( 6.030 0.000 -0.000) 6.030 5.617 ( 6.520 0.000 -0.000) 6.520 5.679 ( 3.439 0.000 -0.000) 3.439 5.915 ( -0.314 -0.000 0.000) 0.314 8.746 ( 0.492 0.000 -0.000) 0.492 8.813 ( 0.653 0.000 -0.000) 0.653 8.870 ( 2.220 0.000 -0.000) 2.220 8.896 ( -0.585 -0.000 0.000) 0.585 8.933 ( -1.735 -0.000 0.000) 1.735 8.967 ( -0.360 -0.000 0.000) 0.360 8.980 ( 0.000 0.000 -0.000) 0.000 9.046 ( -1.478 -0.000 0.000) 1.478 9.165 ( 0.928 0.000 -0.000) 0.928 9.260 ( -0.472 -0.000 0.000) 0.472 9.281 ( 0.443 0.000 -0.000) 0.443 9.294 ( 0.741 0.000 -0.000) 0.741 9.321 ( 1.607 0.000 -0.000) 1.607 9.383 ( 0.197 0.000 -0.000) 0.197 9.429 ( 0.039 0.000 -0.000) 0.039 9.437 ( -1.011 -0.000 0.000) 1.011 9.482 ( 1.056 0.000 -0.000) 1.056 9.522 ( 0.319 0.000 -0.000) 0.319 9.598 ( -0.579 -0.000 0.000) 0.579 9.622 ( -1.320 -0.000 0.000) 1.320 9.981 ( 1.889 0.000 -0.000) 1.889 10.046 ( 0.853 0.000 -0.000) 0.853 10.099 ( -0.340 -0.000 0.000) 0.340 10.101 ( -0.755 -0.000 0.000) 0.755 ======================= Grid point 288 (109/125) ======================= q-point: ( 0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( -0.000 6.640 0.240) 6.645 1.095 ( -0.000 9.075 -3.160) 9.609 1.360 ( 0.000 1.435 -6.318) 6.478 1.568 ( 0.000 12.597 -4.017) 13.222 1.975 ( -0.000 6.881 14.317) 15.885 2.409 ( -0.000 0.890 7.775) 7.826 2.539 ( 0.000 -12.960 -5.045) 13.908 2.614 ( -0.000 18.510 -8.802) 20.496 3.151 ( 0.000 -9.999 16.556) 19.341 3.332 ( 0.000 -0.163 -1.828) 1.835 3.349 ( -0.000 3.427 -2.033) 3.985 3.846 ( 0.000 -3.394 -4.750) 5.838 3.885 ( 0.000 -5.916 -4.744) 7.583 3.997 ( 0.000 -0.117 10.728) 10.728 4.162 ( -0.000 -1.556 -6.632) 6.812 4.319 ( 0.000 -0.813 -8.407) 8.446 4.528 ( 0.000 -7.591 6.222) 9.815 4.800 ( 0.000 -7.040 -9.474) 11.804 4.931 ( 0.000 0.169 1.755) 1.763 4.937 ( 0.000 -2.218 0.562) 2.288 5.429 ( -0.000 3.291 10.224) 10.741 5.665 ( 0.000 0.828 6.837) 6.887 5.788 ( -0.000 6.799 -5.549) 8.776 5.955 ( 0.000 2.326 -5.692) 6.149 8.758 ( 0.000 0.798 1.371) 1.586 8.810 ( -0.000 1.393 -1.600) 2.121 8.871 ( -0.000 -0.488 0.573) 0.752 8.885 ( 0.000 0.342 -0.291) 0.449 8.940 ( -0.000 -0.034 0.863) 0.863 8.953 ( 0.000 -0.549 0.086) 0.555 9.001 ( 0.000 -0.985 -0.485) 1.098 9.021 ( 0.000 -0.713 -1.330) 1.509 9.167 ( -0.000 0.839 2.830) 2.952 9.214 ( 0.000 -0.441 -0.054) 0.444 9.284 ( -0.000 1.145 -0.539) 1.265 9.294 ( -0.000 1.152 -1.055) 1.562 9.349 ( -0.000 1.808 0.393) 1.850 9.393 ( 0.000 0.659 -2.019) 2.124 9.413 ( -0.000 0.575 -0.567) 0.808 9.414 ( 0.000 0.939 -0.223) 0.965 9.546 ( -0.000 -0.588 0.466) 0.750 9.551 ( 0.000 -1.123 -0.113) 1.129 9.610 ( 0.000 -2.577 1.958) 3.237 9.630 ( 0.000 -3.244 0.651) 3.308 9.987 ( -0.000 1.824 1.030) 2.095 10.026 ( -0.000 1.218 -1.206) 1.714 10.117 ( 0.000 -1.128 0.886) 1.435 10.148 ( -0.000 -1.497 -0.889) 1.741 ======================= Grid point 289 (110/125) ======================= q-point: ( 0.78 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 1.623 5.267 0.605) 5.544 1.086 ( 0.785 -0.730 -14.284) 14.325 1.428 ( 2.664 9.776 7.171) 12.413 1.694 ( -3.109 13.015 -7.304) 15.245 2.027 ( 1.396 -8.143 14.413) 16.613 2.318 ( 5.014 0.140 0.081) 5.017 2.498 ( 1.085 5.213 -1.608) 5.563 2.857 ( -7.920 9.925 -5.229) 13.732 3.120 ( 2.567 -7.924 15.709) 17.781 3.372 ( -5.119 -0.743 -1.815) 5.482 3.389 ( 1.321 1.894 -1.451) 2.727 3.682 ( -2.104 -2.034 -14.315) 14.611 3.887 ( 2.402 -1.601 7.173) 7.733 4.054 ( 3.271 -3.205 -5.139) 6.884 4.085 ( -3.201 -1.199 11.103) 11.618 4.297 ( -5.711 -3.845 -6.851) 9.713 4.475 ( 3.005 -2.278 1.892) 4.219 4.651 ( 1.614 -6.525 -8.433) 10.784 4.936 ( -1.935 -1.150 0.203) 2.260 4.939 ( -2.726 -3.143 -0.157) 4.163 5.519 ( 3.326 6.310 10.858) 12.992 5.693 ( 1.597 0.331 6.254) 6.463 5.827 ( -0.005 3.895 -4.732) 6.128 5.931 ( 0.758 0.839 -6.916) 7.008 8.772 ( 0.636 0.684 0.829) 1.249 8.822 ( -0.700 1.514 -0.818) 1.858 8.856 ( 1.039 -0.778 0.182) 1.311 8.890 ( -0.299 0.191 -0.234) 0.425 8.945 ( 0.063 1.048 0.559) 1.189 8.950 ( -0.107 -1.222 0.277) 1.258 8.984 ( 0.171 -0.806 -0.555) 0.993 9.017 ( -1.069 -0.702 -0.796) 1.506 9.180 ( 0.986 0.761 1.751) 2.149 9.223 ( -1.016 0.010 0.932) 1.379 9.291 ( 0.220 0.777 -0.728) 1.087 9.298 ( 0.155 0.781 -0.673) 1.042 9.362 ( 0.943 1.304 -0.248) 1.628 9.382 ( 0.674 0.689 -0.874) 1.301 9.416 ( -0.200 0.091 -0.122) 0.251 9.429 ( -0.999 0.268 -0.959) 1.410 9.527 ( 1.086 -0.826 0.444) 1.435 9.552 ( -0.017 -0.416 0.352) 0.545 9.591 ( -0.264 -1.644 0.770) 1.834 9.601 ( -0.059 -2.133 0.626) 2.224 10.001 ( 1.245 1.852 0.419) 2.271 10.046 ( -0.915 1.515 -0.543) 1.851 10.101 ( 0.557 -1.718 0.650) 1.919 10.125 ( -0.055 -1.598 -0.675) 1.736 ======================= Grid point 290 (111/125) ======================= q-point: ( 0.89 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 365 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 4.758 0.099 -0.963) 4.855 0.984 ( 1.814 0.301 -6.860) 7.103 1.430 ( 8.350 3.046 -0.007) 8.889 1.923 ( -5.143 9.211 7.154) 12.747 2.000 ( -1.034 5.257 -1.528) 5.571 2.284 ( -5.827 -9.519 -0.769) 11.187 2.581 ( 5.425 17.055 3.060) 18.157 2.975 ( -2.069 -2.527 2.820) 4.315 3.032 ( 6.979 -7.946 7.188) 12.787 3.184 ( 4.337 -10.195 -11.824) 16.204 3.433 ( -5.316 -0.649 -1.766) 5.640 3.812 ( 0.416 -0.821 3.253) 3.381 3.902 ( -9.056 11.214 -4.495) 15.099 3.979 ( 2.590 1.144 2.422) 3.726 4.179 ( -6.195 -6.387 9.077) 12.711 4.328 ( -5.581 -0.524 -5.906) 8.143 4.396 ( 3.231 -2.000 -2.294) 4.438 4.535 ( 2.240 -2.935 -4.140) 5.547 4.959 ( -4.510 -2.768 -0.185) 5.295 4.968 ( -2.943 -0.369 0.241) 2.976 5.574 ( 5.495 7.317 6.668) 11.322 5.688 ( 3.071 -1.401 7.419) 8.151 5.784 ( 3.473 -1.297 -7.698) 8.544 5.909 ( -0.499 1.058 -3.323) 3.523 8.761 ( 1.041 -0.154 -0.022) 1.053 8.827 ( 0.962 -0.454 0.486) 1.169 8.866 ( -1.082 2.406 -0.375) 2.665 8.893 ( 0.421 0.333 -0.098) 0.546 8.928 ( 0.034 -1.823 0.014) 1.824 8.964 ( -0.217 0.188 1.205) 1.239 8.977 ( -0.363 0.084 -1.251) 1.306 9.027 ( -1.362 -0.519 -0.231) 1.476 9.176 ( 1.047 0.422 0.617) 1.287 9.246 ( -0.875 0.104 1.062) 1.380 9.287 ( 0.390 0.288 -0.640) 0.803 9.300 ( 0.372 0.437 -0.034) 0.575 9.347 ( 1.665 0.480 -0.611) 1.837 9.382 ( 0.328 0.745 -0.146) 0.827 9.421 ( -0.430 -0.274 0.830) 0.974 9.436 ( -0.687 -0.225 -1.554) 1.714 9.502 ( 1.243 -0.621 0.484) 1.472 9.536 ( 0.898 -0.618 -0.033) 1.091 9.592 ( -0.378 -0.636 0.579) 0.940 9.601 ( -1.366 -0.127 0.055) 1.373 9.999 ( 1.651 1.586 0.021) 2.289 10.069 ( 0.703 -1.275 0.559) 1.559 10.076 ( -0.536 1.004 -0.427) 1.216 10.109 ( -0.326 -1.439 -0.228) 1.493 ======================= Grid point 298 (112/125) ======================= q-point: ( 0.78 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -0.000 3.326 7.434) 8.144 1.001 ( 0.000 2.486 -11.388) 11.656 1.383 ( 0.000 9.978 7.816) 12.675 1.483 ( -0.000 12.148 -9.905) 15.674 2.171 ( -0.000 3.864 20.544) 20.904 2.387 ( 0.000 -1.142 -19.093) 19.127 2.487 ( -0.000 3.379 6.852) 7.639 2.553 ( 0.000 7.596 -5.391) 9.314 3.315 ( -0.000 -4.046 3.034) 5.057 3.321 ( 0.000 -0.400 -0.418) 0.579 3.387 ( 0.000 -3.172 18.904) 19.168 3.627 ( 0.000 -7.662 -23.086) 24.324 3.983 ( 0.000 -0.723 10.109) 10.135 4.081 ( -0.000 -0.401 -7.674) 7.685 4.113 ( 0.000 -0.686 9.935) 9.959 4.221 ( 0.000 0.080 -9.866) 9.866 4.605 ( 0.000 -8.516 8.145) 11.784 4.699 ( -0.000 -8.032 -9.358) 12.332 4.943 ( -0.596 -2.312 0.391) 2.419 4.943 ( 0.596 -1.840 0.462) 1.989 5.542 ( 0.000 5.744 10.662) 12.111 5.648 ( 0.000 6.388 -8.499) 10.631 5.805 ( -0.000 1.481 7.220) 7.370 5.885 ( 0.000 1.635 -7.269) 7.450 8.774 ( 0.000 0.870 1.623) 1.842 8.792 ( -0.000 1.039 -1.723) 2.012 8.877 ( -0.000 -0.011 0.533) 0.533 8.882 ( 0.000 0.266 -0.360) 0.447 8.947 ( -0.000 -0.270 0.550) 0.612 8.952 ( 0.000 -0.535 -0.292) 0.610 9.001 ( -0.000 -0.884 0.396) 0.969 9.009 ( 0.000 -0.736 -0.997) 1.239 9.194 ( -0.000 0.700 2.143) 2.255 9.210 ( 0.000 0.231 -0.882) 0.911 9.280 ( 0.000 1.065 -0.139) 1.074 9.283 ( -0.000 1.144 -0.782) 1.385 9.357 ( -0.000 1.279 1.141) 1.714 9.372 ( 0.000 0.892 -1.690) 1.911 9.410 ( -0.000 0.643 -0.055) 0.645 9.411 ( 0.000 0.722 -0.222) 0.755 9.549 ( -0.000 -0.596 0.213) 0.633 9.550 ( 0.000 -0.756 -0.021) 0.757 9.626 ( 0.000 -2.922 1.104) 3.124 9.633 ( -0.000 -3.165 -0.179) 3.170 9.999 ( -0.000 1.631 1.215) 2.034 10.012 ( -0.000 1.425 -1.283) 1.917 10.127 ( 0.000 -1.262 1.000) 1.610 10.138 ( -0.000 -1.388 -1.005) 1.714 ======================= Grid point 299 (113/125) ======================= q-point: ( 0.89 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 1.283 3.410 -0.000) 3.643 0.973 ( 1.151 -0.388 -0.000) 1.214 1.480 ( 5.915 9.135 -0.000) 10.883 1.640 ( -6.227 14.307 -0.000) 15.603 2.128 ( 5.199 -10.313 0.000) 11.550 2.296 ( -5.758 -8.775 0.000) 10.495 2.489 ( 9.769 19.771 -0.000) 22.053 2.826 ( -9.570 7.733 -0.000) 12.303 3.236 ( 2.512 -5.763 0.000) 6.287 3.360 ( -5.221 -7.130 0.000) 8.837 3.378 ( 6.225 -4.419 0.000) 7.634 3.581 ( -8.073 8.845 -0.000) 11.975 3.936 ( 4.980 -5.677 0.000) 7.552 4.017 ( 2.082 0.246 -0.000) 2.096 4.192 ( -4.760 -4.569 0.000) 6.599 4.211 ( -4.180 1.823 0.000) 4.560 4.501 ( 4.478 -5.909 0.000) 7.414 4.591 ( -0.099 -6.081 0.000) 6.081 4.937 ( -1.941 -1.175 0.000) 2.269 4.939 ( -2.803 -3.586 0.000) 4.551 5.597 ( 5.465 7.440 -0.000) 9.231 5.700 ( -0.588 4.033 -0.000) 4.076 5.838 ( 1.621 -1.506 0.000) 2.213 5.865 ( -0.758 1.886 -0.000) 2.033 8.777 ( 1.042 0.395 -0.000) 1.114 8.817 ( -1.331 2.066 -0.000) 2.457 8.857 ( 1.371 -1.054 0.000) 1.730 8.888 ( -0.361 0.127 0.000) 0.383 8.948 ( -0.085 1.407 -0.000) 1.409 8.952 ( -0.064 -1.348 0.000) 1.349 8.982 ( 0.339 -1.040 0.000) 1.094 9.013 ( -1.182 -0.635 0.000) 1.342 9.190 ( 1.220 0.621 -0.000) 1.369 9.229 ( -1.208 0.400 0.000) 1.273 9.286 ( 0.338 0.680 -0.000) 0.760 9.294 ( -0.074 0.844 -0.000) 0.847 9.361 ( 1.348 0.943 -0.000) 1.645 9.377 ( 0.241 0.959 -0.000) 0.989 9.416 ( -0.425 0.064 0.000) 0.430 9.423 ( -0.708 0.130 0.000) 0.720 9.530 ( 1.056 -0.637 0.000) 1.234 9.554 ( 0.001 -0.432 0.000) 0.432 9.595 ( -0.079 -1.735 0.000) 1.737 9.605 ( -0.173 -2.139 0.000) 2.146 10.003 ( 1.418 1.774 -0.000) 2.271 10.042 ( -1.085 1.604 -0.000) 1.936 10.106 ( 0.746 -1.851 0.000) 1.996 10.120 ( -0.245 -1.478 0.000) 1.498 ======================= Grid point 325 (114/125) ======================= q-point: ( 0.44 0.78 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 4.950 -0.000 9.732) 10.919 1.261 ( 4.655 0.000 -3.262) 5.685 1.583 ( 1.931 0.000 7.186) 7.441 1.674 ( 2.926 -0.000 2.558) 3.887 1.788 ( 2.265 -0.000 2.364) 3.274 1.978 ( 0.998 0.000 -22.511) 22.533 2.544 ( 0.454 0.000 2.504) 2.545 2.561 ( 1.356 -0.000 -0.745) 1.547 3.403 ( -2.059 0.000 8.192) 8.446 3.440 ( -4.398 0.000 3.964) 5.921 3.632 ( 0.435 -0.000 -1.104) 1.187 3.699 ( -3.440 0.000 -8.670) 9.328 3.764 ( -3.764 0.000 3.030) 4.831 3.815 ( -4.628 -0.000 -4.240) 6.277 4.266 ( 0.571 0.000 5.183) 5.214 4.313 ( 0.749 0.000 -3.544) 3.623 4.776 ( -3.770 0.000 4.776) 6.085 4.798 ( -4.547 -0.000 1.815) 4.896 5.029 ( -1.096 -0.000 6.789) 6.877 5.064 ( -3.029 0.000 2.237) 3.766 5.173 ( 3.928 0.000 -6.542) 7.631 5.186 ( 4.407 -0.000 -10.018) 10.944 5.976 ( 4.033 -0.000 3.050) 5.056 5.995 ( 3.480 0.000 -0.598) 3.531 8.768 ( 0.416 -0.000 1.047) 1.127 8.780 ( 0.395 0.000 -1.186) 1.250 8.871 ( 1.047 0.000 0.443) 1.137 8.877 ( 0.596 -0.000 -0.747) 0.955 8.957 ( -0.916 -0.000 0.286) 0.960 8.957 ( -1.169 0.000 0.269) 1.200 9.022 ( -0.165 0.000 0.821) 0.837 9.031 ( -0.253 -0.000 -0.920) 0.954 9.167 ( -0.727 -0.000 1.340) 1.524 9.185 ( -0.885 0.000 -1.865) 2.064 9.283 ( 1.246 -0.000 0.059) 1.247 9.285 ( 1.160 0.000 -0.219) 1.180 9.380 ( 1.420 -0.000 1.158) 1.832 9.390 ( 1.273 0.000 -0.736) 1.471 9.410 ( 0.752 0.000 1.297) 1.499 9.426 ( 0.958 0.000 -1.570) 1.839 9.539 ( -0.261 0.000 0.921) 0.957 9.550 ( -0.340 -0.000 -1.086) 1.138 9.561 ( -2.136 -0.000 2.751) 3.483 9.588 ( -2.131 0.000 -2.281) 3.121 9.999 ( 1.385 -0.000 0.831) 1.615 10.009 ( 1.188 0.000 -0.992) 1.548 10.110 ( -0.381 0.000 0.235) 0.448 10.112 ( -0.307 -0.000 -0.029) 0.308 ======================= Grid point 335 (115/125) ======================= q-point: ( 0.44 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 4.183 9.353 -0.000) 10.246 1.367 ( 2.481 0.799 -0.000) 2.606 1.601 ( 3.805 0.005 -0.000) 3.805 1.607 ( -1.939 11.551 -0.000) 11.712 1.877 ( 0.593 -7.454 0.000) 7.477 1.957 ( -1.967 -9.272 0.000) 9.478 2.344 ( 5.101 21.130 -0.000) 21.737 2.811 ( -1.235 -19.202 0.000) 19.241 3.294 ( -3.948 10.543 -0.000) 11.258 3.488 ( 0.223 -2.562 0.000) 2.572 3.604 ( -1.127 1.605 -0.000) 1.961 3.634 ( -3.759 1.790 0.000) 4.163 3.738 ( -3.863 -2.832 0.000) 4.790 3.757 ( 1.144 -6.175 0.000) 6.280 4.282 ( -1.065 -1.222 0.000) 1.621 4.307 ( -1.077 -2.199 0.000) 2.448 4.683 ( -3.571 4.879 -0.000) 6.047 4.794 ( -1.558 -4.736 0.000) 4.985 4.993 ( -1.292 1.892 -0.000) 2.291 5.090 ( -2.542 -6.680 0.000) 7.148 5.119 ( 4.265 10.046 -0.000) 10.914 5.303 ( 3.303 -6.191 0.000) 7.017 6.021 ( 2.453 2.872 -0.000) 3.777 6.045 ( 3.206 0.558 -0.000) 3.254 8.766 ( -0.016 1.222 -0.000) 1.222 8.797 ( 1.009 -1.435 0.000) 1.754 8.873 ( 0.520 1.321 -0.000) 1.420 8.897 ( 0.866 -0.837 0.000) 1.205 8.938 ( -1.478 0.314 0.000) 1.511 8.941 ( -0.390 0.394 -0.000) 0.554 9.018 ( -0.118 0.049 0.000) 0.128 9.035 ( -0.291 -1.146 0.000) 1.182 9.139 ( -0.559 2.122 -0.000) 2.194 9.187 ( -0.824 -2.046 0.000) 2.205 9.300 ( 1.146 0.406 -0.000) 1.216 9.303 ( 1.007 0.192 -0.000) 1.025 9.393 ( 1.073 1.408 -0.000) 1.770 9.409 ( 1.139 0.362 -0.000) 1.195 9.419 ( 0.845 0.451 -0.000) 0.958 9.454 ( 1.247 -2.191 0.000) 2.521 9.526 ( -2.222 1.329 -0.000) 2.589 9.536 ( -0.046 0.419 -0.000) 0.422 9.555 ( -1.480 -1.191 0.000) 1.900 9.555 ( -0.311 -1.179 0.000) 1.219 9.997 ( 1.176 2.248 -0.000) 2.537 10.049 ( 1.101 -2.217 0.000) 2.475 10.090 ( -0.603 1.335 -0.000) 1.464 10.123 ( -0.094 -1.483 0.000) 1.486 ======================= Grid point 344 (116/125) ======================= q-point: ( 0.44 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -0.000 13.129 -0.000) 13.129 1.400 ( -0.000 9.748 -0.000) 9.748 1.470 ( -0.000 11.614 -0.000) 11.614 1.720 ( 0.000 -10.230 0.000) 10.230 1.866 ( 0.000 -10.893 0.000) 10.893 1.892 ( 0.000 -10.642 0.000) 10.642 2.480 ( -0.000 15.239 -0.000) 15.239 2.774 ( 0.000 -11.992 0.000) 11.992 3.222 ( -0.000 22.707 -0.000) 22.707 3.533 ( -0.000 1.662 -0.000) 1.662 3.539 ( -0.000 1.157 -0.000) 1.157 3.548 ( -0.000 1.488 -0.000) 1.488 3.692 ( 0.000 -2.769 0.000) 2.769 3.820 ( 0.000 -20.129 0.000) 20.129 4.247 ( 0.000 -1.722 0.000) 1.722 4.255 ( 0.000 -2.974 0.000) 2.974 4.635 ( -0.000 6.343 -0.000) 6.343 4.782 ( 0.000 -6.541 0.000) 6.541 4.968 ( -0.000 1.861 -0.000) 1.861 5.048 ( 0.000 -5.678 0.000) 5.678 5.188 ( -0.000 9.161 -0.000) 9.161 5.357 ( 0.000 -5.689 0.000) 5.689 6.062 ( -0.000 3.929 -0.000) 3.929 6.099 ( -0.000 0.580 -0.000) 0.580 8.766 ( -0.000 1.934 -0.000) 1.934 8.817 ( 0.000 -2.385 0.000) 2.385 8.894 ( -0.000 2.224 -0.000) 2.224 8.900 ( -0.000 0.591 -0.000) 0.591 8.913 ( 0.000 -0.322 0.000) 0.322 8.932 ( 0.000 -1.112 0.000) 1.112 9.016 ( 0.000 -0.179 0.000) 0.179 9.028 ( 0.000 -0.997 0.000) 0.997 9.129 ( -0.000 1.863 -0.000) 1.863 9.172 ( 0.000 -1.880 0.000) 1.880 9.319 ( -0.000 0.638 -0.000) 0.638 9.321 ( -0.000 0.463 -0.000) 0.463 9.412 ( -0.000 1.643 -0.000) 1.643 9.435 ( 0.000 -0.351 0.000) 0.351 9.449 ( -0.000 1.787 -0.000) 1.787 9.467 ( -0.000 0.919 -0.000) 0.919 9.491 ( 0.000 -1.926 0.000) 1.926 9.504 ( 0.000 -2.291 0.000) 2.291 9.537 ( -0.000 0.459 -0.000) 0.459 9.559 ( 0.000 -1.395 0.000) 1.395 10.020 ( -0.000 2.314 -0.000) 2.314 10.069 ( 0.000 -1.863 0.000) 1.863 10.077 ( -0.000 1.628 -0.000) 1.628 10.120 ( 0.000 -2.066 0.000) 2.066 ======================= Grid point 345 (117/125) ======================= q-point: (-0.44 0.00 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 5.750 -0.000 -7.938) 9.802 1.429 ( 5.395 0.000 6.323) 8.312 1.541 ( -2.763 -0.000 -15.862) 16.100 1.684 ( -6.910 -0.000 -0.721) 6.948 1.778 ( 3.813 0.000 2.966) 4.830 1.912 ( -4.295 0.000 17.055) 17.587 2.612 ( 2.341 -0.000 -1.893) 3.010 2.630 ( 1.430 0.000 1.569) 2.123 3.406 ( 2.183 -0.000 -5.365) 5.792 3.435 ( 3.657 0.000 -0.336) 3.673 3.559 ( -4.310 -0.000 -5.869) 7.282 3.624 ( -3.532 0.000 6.042) 6.999 3.688 ( -1.207 0.000 2.415) 2.700 3.704 ( -0.954 0.000 5.342) 5.427 4.234 ( -1.256 -0.000 -4.882) 5.041 4.263 ( -2.775 0.000 0.534) 2.826 4.706 ( -0.490 -0.000 -1.867) 1.931 4.712 ( -0.876 -0.000 -1.117) 1.419 4.991 ( -0.769 -0.000 -4.183) 4.253 4.998 ( -1.233 -0.000 -3.175) 3.405 5.281 ( 2.116 0.000 5.555) 5.945 5.288 ( 1.671 0.000 6.852) 7.053 6.073 ( 1.847 -0.000 -1.951) 2.686 6.079 ( 1.482 -0.000 -0.913) 1.741 8.785 ( 0.521 -0.000 -0.383) 0.647 8.791 ( 0.177 0.000 0.739) 0.759 8.894 ( 0.577 -0.000 -0.670) 0.885 8.902 ( 0.852 0.000 0.703) 1.105 8.922 ( -0.954 -0.000 -0.931) 1.333 8.931 ( -0.786 0.000 0.766) 1.097 9.017 ( -0.059 -0.000 -0.712) 0.715 9.021 ( -0.308 0.000 0.081) 0.318 9.152 ( -0.156 -0.000 -0.102) 0.186 9.159 ( -0.610 0.000 1.295) 1.431 9.317 ( 0.667 -0.000 -0.118) 0.677 9.318 ( 0.672 0.000 -0.044) 0.673 9.418 ( 0.840 -0.000 -0.720) 1.106 9.422 ( 0.588 0.000 -0.010) 0.588 9.439 ( 1.261 -0.000 -2.003) 2.367 9.461 ( 1.386 0.000 2.093) 2.510 9.495 ( -1.960 -0.000 -2.388) 3.089 9.520 ( -2.068 0.000 2.295) 3.089 9.543 ( 0.272 -0.000 -0.213) 0.346 9.548 ( -0.043 0.000 0.736) 0.737 10.038 ( 0.893 -0.000 -0.232) 0.923 10.041 ( 0.681 0.000 0.424) 0.802 10.099 ( -0.296 -0.000 -0.237) 0.379 10.100 ( -0.365 -0.000 -0.036) 0.366 ======================= Grid point 355 (118/125) ======================= q-point: ( 0.56 0.11 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 0.000 12.048 -14.274) 18.679 1.356 ( 0.000 13.296 4.278) 13.967 1.557 ( 0.000 -8.644 -20.411) 22.166 1.585 ( -0.000 4.309 12.802) 13.507 1.878 ( 0.000 -5.495 1.787) 5.778 2.041 ( 0.000 -12.649 17.171) 21.327 2.489 ( -0.000 14.336 2.018) 14.477 2.769 ( 0.000 -11.424 -0.428) 11.432 3.211 ( 0.000 22.228 -2.121) 22.329 3.457 ( 0.000 1.929 -6.524) 6.804 3.518 ( -0.000 1.911 -4.119) 4.541 3.629 ( 0.000 -1.217 8.841) 8.925 3.745 ( 0.000 -2.395 8.388) 8.723 3.816 ( -0.000 -17.333 -0.676) 17.346 4.225 ( 0.000 -2.033 -3.945) 4.437 4.232 ( 0.000 -3.441 -3.940) 5.231 4.622 ( -0.000 6.334 -2.592) 6.844 4.772 ( 0.000 -6.892 -2.286) 7.261 4.946 ( 0.000 0.952 -3.308) 3.442 4.988 ( -0.000 -2.328 -7.389) 7.747 5.270 ( 0.000 6.225 11.606) 13.171 5.406 ( 0.000 -4.951 8.409) 9.758 6.045 ( 0.000 4.010 -3.101) 5.069 6.085 ( 0.000 0.432 -2.611) 2.647 8.769 ( -0.000 1.918 0.495) 1.981 8.818 ( -0.000 -2.327 0.335) 2.351 8.885 ( -0.000 1.821 -1.231) 2.198 8.898 ( 0.000 0.365 -0.407) 0.546 8.921 ( -0.000 0.026 1.161) 1.161 8.934 ( -0.000 -0.940 0.302) 0.987 9.011 ( 0.000 -0.021 -0.950) 0.950 9.024 ( 0.000 -1.000 -0.664) 1.200 9.139 ( -0.000 1.653 1.632) 2.323 9.177 ( -0.000 -1.669 0.831) 1.864 9.317 ( -0.000 0.654 -0.294) 0.717 9.320 ( -0.000 0.411 -0.150) 0.437 9.407 ( -0.000 1.686 -0.772) 1.854 9.431 ( -0.000 -0.389 -0.683) 0.786 9.444 ( -0.000 1.051 -0.939) 1.410 9.450 ( -0.000 0.346 -2.243) 2.270 9.508 ( 0.000 -1.153 2.064) 2.365 9.511 ( 0.000 -1.569 1.097) 1.914 9.542 ( -0.000 0.269 0.752) 0.798 9.562 ( -0.000 -1.434 0.461) 1.506 10.022 ( -0.000 2.287 0.253) 2.301 10.068 ( -0.000 -1.126 -0.124) 1.133 10.077 ( 0.000 0.907 0.016) 0.908 10.118 ( -0.000 -2.058 -0.292) 2.078 ======================= Grid point 356 (119/125) ======================= q-point: (-0.33 0.11 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 5.791 -0.000 -11.121) 12.538 1.332 ( 2.546 -0.000 -16.994) 17.183 1.551 ( -2.167 0.000 10.502) 10.723 1.598 ( -1.532 -0.000 -6.393) 6.574 1.908 ( 1.800 0.000 12.408) 12.538 2.079 ( -6.963 0.000 12.638) 14.430 2.598 ( 3.896 0.000 0.353) 3.912 2.655 ( 0.856 0.000 3.856) 3.950 3.336 ( 2.826 -0.000 -7.166) 7.703 3.408 ( 6.433 -0.000 -4.171) 7.667 3.494 ( -4.820 -0.000 -6.394) 8.008 3.672 ( -6.548 0.000 3.210) 7.292 3.756 ( 0.556 0.000 9.425) 9.441 3.789 ( -1.404 0.000 9.727) 9.827 4.162 ( -0.157 -0.000 -8.406) 8.407 4.251 ( -4.774 -0.000 -2.235) 5.272 4.674 ( 0.096 -0.000 -6.294) 6.295 4.675 ( 0.148 -0.000 -4.070) 4.073 4.944 ( -1.034 -0.000 -3.441) 3.593 4.951 ( -1.629 -0.000 -4.441) 4.731 5.378 ( 2.294 0.000 11.367) 11.597 5.396 ( 1.193 0.000 11.982) 12.041 6.037 ( 2.155 -0.000 -4.757) 5.222 6.054 ( 1.023 -0.000 -3.612) 3.754 8.783 ( 0.953 0.000 -0.073) 0.955 8.801 ( -0.043 0.000 1.081) 1.082 8.887 ( 0.113 -0.000 -0.648) 0.658 8.904 ( -0.495 -0.000 -0.837) 0.972 8.916 ( 0.487 0.000 0.402) 0.631 8.939 ( -0.457 0.000 0.738) 0.868 9.007 ( -0.027 -0.000 -1.043) 1.043 9.019 ( -0.685 -0.000 -0.575) 0.895 9.157 ( 0.368 0.000 1.096) 1.156 9.178 ( -0.860 0.000 2.040) 2.213 9.315 ( 0.588 -0.000 -0.355) 0.687 9.316 ( 0.577 -0.000 -0.218) 0.617 9.407 ( 1.093 -0.000 -1.276) 1.680 9.419 ( 0.277 -0.000 -0.525) 0.594 9.419 ( 1.002 -0.000 -1.643) 1.925 9.468 ( -1.824 -0.000 -2.128) 2.803 9.484 ( 1.574 0.000 1.842) 2.423 9.542 ( -1.931 0.000 1.920) 2.723 9.543 ( 0.587 0.000 0.200) 0.620 9.558 ( -0.373 0.000 1.048) 1.113 10.036 ( 1.116 0.000 -0.067) 1.118 10.047 ( 0.484 0.000 0.623) 0.789 10.096 ( -0.255 -0.000 -0.413) 0.486 10.098 ( -0.431 -0.000 -0.348) 0.554 ======================= Grid point 366 (120/125) ======================= q-point: ( 0.67 0.22 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 0.000 10.590 -12.464) 16.355 1.342 ( 0.000 -5.282 -19.147) 19.862 1.421 ( 0.000 12.005 7.683) 14.253 1.719 ( 0.000 -5.910 12.302) 13.648 1.886 ( 0.000 6.243 -0.933) 6.313 2.185 ( 0.000 -14.940 8.481) 17.179 2.534 ( -0.000 12.738 6.765) 14.423 2.786 ( 0.000 -9.979 4.579) 10.980 3.174 ( 0.000 20.451 -4.771) 21.001 3.395 ( 0.000 1.029 -5.277) 5.377 3.480 ( -0.000 3.967 -2.493) 4.686 3.702 ( 0.000 -11.219 2.528) 11.500 3.815 ( -0.000 -3.787 1.751) 4.172 3.848 ( 0.000 -2.464 10.199) 10.493 4.171 ( 0.000 -2.518 -5.816) 6.338 4.186 ( 0.000 -5.324 -3.654) 6.457 4.580 ( -0.000 5.786 -5.153) 7.747 4.725 ( 0.000 -7.153 -6.752) 9.836 4.915 ( 0.000 -0.227 -2.154) 2.166 4.928 ( 0.000 -1.145 -3.565) 3.745 5.404 ( -0.000 5.536 13.064) 14.189 5.516 ( 0.000 -3.874 11.447) 12.084 5.997 ( 0.000 4.224 -5.922) 7.274 6.044 ( 0.000 0.015 -5.065) 5.065 8.777 ( -0.000 1.866 0.936) 2.087 8.823 ( -0.000 -2.046 0.477) 2.101 8.871 ( -0.000 1.535 -1.323) 2.026 8.892 ( 0.000 -0.167 -0.759) 0.777 8.934 ( -0.000 0.086 1.285) 1.288 8.938 ( -0.000 -0.518 0.522) 0.735 8.998 ( 0.000 0.167 -1.208) 1.219 9.015 ( 0.000 -0.987 -1.082) 1.465 9.161 ( -0.000 1.275 2.443) 2.755 9.189 ( 0.000 -1.146 1.379) 1.793 9.313 ( -0.000 0.677 -0.599) 0.903 9.317 ( -0.000 0.297 -0.454) 0.542 9.397 ( -0.000 1.700 -0.990) 1.967 9.422 ( -0.000 -0.503 -0.934) 1.061 9.426 ( -0.000 0.441 -2.026) 2.074 9.432 ( -0.000 0.134 -1.169) 1.176 9.524 ( 0.000 -0.613 1.298) 1.436 9.528 ( 0.000 -0.592 1.598) 1.704 9.552 ( -0.000 -0.335 1.164) 1.211 9.568 ( -0.000 -1.528 0.662) 1.665 10.026 ( -0.000 2.211 0.492) 2.265 10.065 ( -0.000 0.537 -0.499) 0.733 10.078 ( 0.000 -0.714 0.325) 0.784 10.114 ( -0.000 -2.033 -0.545) 2.105 ======================= Grid point 367 (121/125) ======================= q-point: (-0.22 0.22 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 4.368 -0.000 -12.154) 12.915 1.163 ( 1.515 -0.000 -14.084) 14.165 1.569 ( 4.288 0.000 0.161) 4.291 1.677 ( -3.568 0.000 12.892) 13.376 2.005 ( -0.621 0.000 5.544) 5.578 2.148 ( -8.237 -0.000 -0.214) 8.239 2.645 ( 5.052 0.000 8.887) 10.222 2.726 ( 0.823 0.000 9.650) 9.685 3.258 ( 3.239 -0.000 -7.647) 8.304 3.340 ( 5.994 -0.000 -9.223) 11.000 3.435 ( -1.103 -0.000 -4.049) 4.196 3.706 ( -7.631 0.000 3.398) 8.353 3.862 ( -0.845 0.000 9.133) 9.172 3.894 ( -2.606 0.000 9.156) 9.520 4.067 ( 1.853 -0.000 -8.337) 8.540 4.227 ( -6.433 -0.000 -1.709) 6.656 4.585 ( 1.885 -0.000 -9.610) 9.793 4.620 ( 0.158 -0.000 -6.004) 6.006 4.915 ( -1.744 -0.000 -2.336) 2.915 4.924 ( -1.876 -0.000 -0.711) 2.006 5.508 ( 2.411 0.000 12.652) 12.880 5.527 ( 1.235 0.000 12.288) 12.349 5.973 ( 2.440 -0.000 -7.307) 7.704 6.003 ( 0.406 -0.000 -5.847) 5.861 8.783 ( 1.413 0.000 0.117) 1.418 8.814 ( -0.103 0.000 1.365) 1.368 8.881 ( -0.374 -0.000 -0.613) 0.718 8.890 ( -1.191 -0.000 -1.621) 2.011 8.925 ( 1.242 0.000 0.916) 1.543 8.947 ( -0.166 0.000 0.886) 0.901 8.995 ( -0.098 -0.000 -1.174) 1.178 9.011 ( -1.018 -0.000 -0.840) 1.319 9.173 ( 0.776 0.000 1.697) 1.866 9.201 ( -0.957 0.000 2.275) 2.468 9.309 ( 0.477 -0.000 -0.723) 0.866 9.313 ( 0.362 -0.000 -0.442) 0.571 9.393 ( 1.396 -0.000 -1.370) 1.956 9.405 ( 0.711 -0.000 -1.124) 1.330 9.413 ( -0.064 -0.000 -0.495) 0.499 9.446 ( -1.552 -0.000 -1.931) 2.477 9.504 ( 1.654 0.000 1.614) 2.311 9.546 ( 0.868 0.000 0.293) 0.916 9.560 ( -1.673 0.000 1.378) 2.167 9.569 ( -0.699 0.000 0.978) 1.202 10.036 ( 1.342 0.000 0.044) 1.343 10.054 ( 0.321 0.000 0.798) 0.860 10.091 ( -0.269 -0.000 -0.443) 0.519 10.093 ( -0.481 -0.000 -0.634) 0.796 ======================= Grid point 377 (122/125) ======================= q-point: ( 0.78 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 7.433 -7.431) 10.510 1.156 ( 0.000 -3.577 -15.135) 15.552 1.517 ( 0.000 12.529 9.991) 16.025 1.812 ( 0.000 -7.197 -1.013) 7.268 1.888 ( -0.000 8.046 7.432) 10.953 2.208 ( 0.000 -15.308 -3.628) 15.732 2.633 ( -0.000 12.680 11.435) 17.074 2.865 ( 0.000 -6.163 8.159) 10.226 3.120 ( -0.000 14.413 -3.814) 14.910 3.338 ( 0.000 -1.945 -5.722) 6.044 3.468 ( -0.000 6.524 0.301) 6.531 3.661 ( 0.000 -9.962 -8.457) 13.067 3.865 ( 0.000 1.312 6.102) 6.241 3.948 ( 0.000 -4.433 7.441) 8.661 4.115 ( 0.000 -1.219 -3.507) 3.713 4.167 ( 0.000 -6.737 -0.022) 6.737 4.522 ( 0.000 3.752 -4.966) 6.224 4.636 ( 0.000 -6.415 -9.175) 11.195 4.901 ( 0.000 -0.817 -0.582) 1.003 4.906 ( 0.000 -1.233 -0.921) 1.539 5.543 ( 0.000 5.398 12.840) 13.928 5.639 ( 0.000 -2.852 11.244) 11.601 5.922 ( -0.000 4.420 -7.978) 9.120 5.978 ( 0.000 -0.576 -7.176) 7.199 8.789 ( -0.000 1.756 1.276) 2.171 8.826 ( -0.000 -0.919 -0.123) 0.927 8.860 ( -0.000 0.590 -0.581) 0.827 8.882 ( 0.000 -0.736 -1.006) 1.247 8.945 ( -0.000 -0.006 0.636) 0.637 8.947 ( -0.000 0.169 1.072) 1.085 8.987 ( 0.000 0.046 -0.893) 0.895 9.002 ( 0.000 -0.949 -1.216) 1.543 9.188 ( -0.000 0.928 2.439) 2.610 9.204 ( 0.000 -0.511 1.391) 1.482 9.305 ( -0.000 0.638 -0.782) 1.010 9.310 ( -0.000 0.247 -0.884) 0.917 9.389 ( -0.000 1.561 -0.539) 1.652 9.407 ( -0.000 0.638 -1.558) 1.684 9.414 ( -0.000 -0.573 -0.644) 0.862 9.420 ( -0.000 -0.360 -0.971) 1.036 9.537 ( 0.000 -0.035 1.007) 1.007 9.541 ( 0.000 -0.018 0.860) 0.860 9.565 ( -0.000 -1.062 1.097) 1.527 9.574 ( -0.000 -1.614 0.488) 1.686 10.032 ( -0.000 2.095 0.695) 2.208 10.058 ( -0.000 1.366 -0.761) 1.564 10.083 ( 0.000 -1.481 0.586) 1.593 10.107 ( -0.000 -1.987 -0.722) 2.114 ======================= Grid point 378 (123/125) ======================= q-point: (-0.11 0.33 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.011 ( 3.693 -0.000 -7.733) 8.570 1.042 ( 1.150 -0.000 -8.086) 8.167 1.583 ( 8.527 0.000 1.766) 8.708 1.820 ( -5.570 0.000 13.581) 14.679 2.034 ( -3.394 0.000 0.721) 3.470 2.090 ( -6.729 -0.000 -9.399) 11.559 2.764 ( 4.718 0.000 11.507) 12.437 2.855 ( 0.515 0.000 13.761) 13.770 3.175 ( 2.816 -0.000 -7.494) 8.005 3.217 ( 5.580 -0.000 -13.123) 14.260 3.408 ( 2.554 -0.000 -1.405) 2.915 3.747 ( -9.053 0.000 4.505) 10.112 3.896 ( -3.159 -0.000 -4.376) 5.397 3.970 ( -4.510 0.000 4.808) 6.592 4.036 ( 5.105 0.000 3.990) 6.479 4.223 ( -6.487 0.000 1.003) 6.564 4.485 ( 3.444 -0.000 -8.284) 8.972 4.556 ( -0.280 -0.000 -5.441) 5.448 4.899 ( -1.611 -0.000 -0.789) 1.794 4.921 ( -2.357 -0.000 0.053) 2.358 5.641 ( 2.307 0.000 12.234) 12.449 5.649 ( 1.896 0.000 10.030) 10.208 5.883 ( 2.788 -0.000 -9.372) 9.777 5.935 ( -0.560 -0.000 -6.650) 6.673 8.785 ( 1.801 0.000 0.132) 1.806 8.829 ( 0.127 0.000 1.484) 1.489 8.872 ( -1.537 -0.000 -1.662) 2.264 8.875 ( -0.753 -0.000 -0.399) 0.852 8.933 ( 1.465 0.000 0.647) 1.602 8.958 ( 0.005 0.000 1.052) 1.052 8.983 ( -0.172 -0.000 -1.203) 1.215 9.002 ( -1.281 -0.000 -0.625) 1.425 9.190 ( 1.058 0.000 1.363) 1.726 9.224 ( -1.010 0.000 1.816) 2.078 9.300 ( 0.410 -0.000 -0.924) 1.011 9.307 ( 0.062 -0.000 -0.518) 0.522 9.380 ( 1.642 -0.000 -0.848) 1.848 9.396 ( 0.539 -0.000 -0.577) 0.790 9.410 ( -0.419 -0.000 0.008) 0.419 9.428 ( -1.180 -0.000 -1.375) 1.813 9.518 ( 1.626 0.000 0.948) 1.882 9.548 ( 1.080 0.000 0.151) 1.091 9.572 ( -1.586 0.000 0.753) 1.755 9.577 ( -0.801 0.000 0.548) 0.970 10.037 ( 1.539 0.000 0.066) 1.541 10.063 ( 0.265 0.000 0.877) 0.917 10.085 ( -0.564 -0.000 -0.804) 0.982 10.087 ( -0.327 -0.000 -0.294) 0.440 ======================= Grid point 380 (124/125) ======================= q-point: ( 0.00 0.44 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( 3.565 0.000 -0.000) 3.565 0.998 ( 1.033 0.000 -0.000) 1.033 1.595 ( 10.208 0.000 -0.000) 10.208 1.943 ( -11.730 -0.000 0.000) 11.730 1.987 ( -0.574 -0.000 0.000) 0.574 2.036 ( -4.722 -0.000 0.000) 4.722 2.839 ( 4.872 0.000 -0.000) 4.872 2.967 ( -2.792 -0.000 0.000) 2.792 3.108 ( 9.112 0.000 -0.000) 9.112 3.124 ( 2.149 0.000 -0.000) 2.149 3.401 ( 3.447 0.000 -0.000) 3.447 3.788 ( -14.735 -0.000 0.000) 14.735 3.847 ( 3.425 0.000 -0.000) 3.425 3.995 ( -5.768 -0.000 0.000) 5.768 4.073 ( 3.805 0.000 -0.000) 3.805 4.234 ( -5.873 -0.000 0.000) 5.873 4.435 ( 4.272 0.000 -0.000) 4.272 4.523 ( -0.534 -0.000 0.000) 0.534 4.895 ( -1.537 -0.000 0.000) 1.537 4.922 ( -2.494 -0.000 0.000) 2.494 5.714 ( 3.002 0.000 -0.000) 3.002 5.748 ( 0.752 0.000 -0.000) 0.752 5.792 ( 4.422 0.000 -0.000) 4.422 5.888 ( -1.761 -0.000 0.000) 1.761 8.785 ( 1.961 0.000 -0.000) 1.961 8.841 ( 1.069 0.000 -0.000) 1.069 8.859 ( -2.503 -0.000 0.000) 2.503 8.873 ( -0.901 -0.000 0.000) 0.901 8.937 ( 1.573 0.000 -0.000) 1.573 8.968 ( 0.486 0.000 -0.000) 0.486 8.972 ( -0.630 -0.000 0.000) 0.630 8.999 ( -1.409 -0.000 0.000) 1.409 9.198 ( 1.184 0.000 -0.000) 1.184 9.235 ( -1.071 -0.000 0.000) 1.071 9.294 ( 0.430 0.000 -0.000) 0.430 9.304 ( -0.103 -0.000 0.000) 0.103 9.376 ( 1.747 0.000 -0.000) 1.747 9.393 ( 0.481 0.000 -0.000) 0.481 9.412 ( -0.712 -0.000 0.000) 0.712 9.419 ( -0.877 -0.000 0.000) 0.877 9.523 ( 1.599 0.000 -0.000) 1.599 9.549 ( 1.168 0.000 -0.000) 1.168 9.576 ( -1.661 -0.000 0.000) 1.661 9.580 ( -0.726 -0.000 0.000) 0.726 10.037 ( 1.624 0.000 -0.000) 1.624 10.071 ( 0.646 0.000 -0.000) 0.646 10.078 ( -0.992 -0.000 0.000) 0.992 10.085 ( -0.364 -0.000 0.000) 0.364 ======================= Grid point 391 (125/125) ======================= q-point: ( 0.89 0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.54e-05 2.54e-05 2.54e-05 2.54e-05 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 Number of triplets: 205 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.981 ( -0.000 3.475 0.243) 3.483 1.028 ( 0.000 -0.438 -8.528) 8.539 1.629 ( 0.000 11.663 10.720) 15.841 1.739 ( 0.000 8.634 -9.535) 12.863 2.009 ( -0.000 -8.871 12.235) 15.113 2.130 ( 0.000 -13.363 -10.064) 16.729 2.764 ( 0.000 13.402 12.510) 18.333 2.878 ( 0.000 9.577 -6.985) 11.853 3.151 ( -0.000 -4.002 9.672) 10.467 3.262 ( 0.000 -6.668 -9.156) 11.327 3.490 ( 0.000 7.025 4.080) 8.124 3.560 ( 0.000 1.167 -8.906) 8.982 3.926 ( 0.000 -3.731 5.235) 6.429 3.972 ( -0.000 -7.096 -2.630) 7.568 4.125 ( 0.000 0.995 4.612) 4.718 4.165 ( 0.000 -3.161 -1.720) 3.598 4.495 ( 0.000 -0.668 0.847) 1.079 4.543 ( 0.000 -4.729 -7.517) 8.881 4.899 ( 0.000 -1.114 0.058) 1.116 4.901 ( 0.000 -1.272 -0.278) 1.302 5.672 ( 0.000 4.913 11.024) 12.069 5.735 ( 0.000 0.097 3.704) 3.705 5.845 ( -0.000 2.665 -3.441) 4.353 5.894 ( 0.000 -1.027 -8.205) 8.269 8.803 ( 0.000 1.518 1.448) 2.098 8.818 ( -0.000 0.844 -1.224) 1.487 8.861 ( -0.000 -0.867 0.685) 1.105 8.871 ( 0.000 -1.095 -1.060) 1.524 8.951 ( 0.000 0.447 0.578) 0.730 8.954 ( -0.000 0.524 0.143) 0.543 8.982 ( 0.000 -0.552 0.194) 0.585 8.990 ( 0.000 -0.879 -1.062) 1.379 9.210 ( -0.000 0.578 1.421) 1.534 9.215 ( 0.000 0.098 0.415) 0.426 9.298 ( -0.000 0.495 -0.346) 0.603 9.300 ( -0.000 0.334 -0.715) 0.789 9.387 ( -0.000 1.269 0.235) 1.290 9.393 ( -0.000 0.945 -0.950) 1.340 9.410 ( -0.000 -0.641 -0.087) 0.647 9.412 ( 0.000 -0.579 -0.507) 0.770 9.545 ( 0.000 0.229 0.479) 0.531 9.546 ( -0.000 0.245 0.163) 0.294 9.574 ( -0.000 -1.473 0.608) 1.594 9.577 ( -0.000 -1.619 0.005) 1.619 10.040 ( -0.000 1.942 0.831) 2.112 10.049 ( -0.000 1.727 -0.863) 1.931 10.091 ( -0.000 -1.770 0.744) 1.920 10.099 ( 0.000 -1.908 -0.792) 2.066 =================== 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 3/34992 10.0 26.988 57.973 90.227 0.000 -0.000 0.000 3/34992 20.0 18.897 43.201 65.762 0.000 -0.000 -0.000 3/34992 30.0 15.097 35.685 57.010 0.000 -0.000 -0.000 3/34992 40.0 12.522 30.126 48.973 0.000 -0.000 -0.000 3/34992 50.0 10.607 25.756 42.045 0.000 -0.000 -0.000 3/34992 60.0 9.147 22.320 36.438 0.000 -0.000 -0.000 3/34992 70.0 8.007 19.591 31.956 0.000 -0.000 -0.000 3/34992 80.0 7.099 17.395 28.352 0.000 -0.000 -0.000 3/34992 90.0 6.363 15.604 25.421 0.000 -0.000 -0.000 3/34992 100.0 5.757 14.124 23.004 0.000 -0.000 -0.000 3/34992 110.0 5.251 12.888 20.988 0.000 -0.000 -0.000 3/34992 120.0 4.824 11.842 19.284 0.000 -0.000 -0.000 3/34992 130.0 4.460 10.948 17.830 0.000 -0.000 -0.000 3/34992 140.0 4.145 10.177 16.576 0.000 -0.000 -0.000 3/34992 150.0 3.872 9.506 15.484 0.000 -0.000 -0.000 3/34992 160.0 3.632 8.917 14.525 0.000 -0.000 -0.000 3/34992 170.0 3.420 8.396 13.678 0.000 -0.000 -0.000 3/34992 180.0 3.231 7.932 12.924 0.000 -0.000 -0.000 3/34992 190.0 3.062 7.517 12.248 0.000 -0.000 -0.000 3/34992 200.0 2.910 7.143 11.640 0.000 -0.000 -0.000 3/34992 210.0 2.772 6.804 11.089 0.000 -0.000 -0.000 3/34992 220.0 2.647 6.497 10.588 0.000 -0.000 -0.000 3/34992 230.0 2.533 6.216 10.130 0.000 -0.000 -0.000 3/34992 240.0 2.428 5.958 9.711 0.000 -0.000 -0.000 3/34992 250.0 2.332 5.721 9.324 0.000 -0.000 -0.000 3/34992 260.0 2.243 5.502 8.968 0.000 -0.000 -0.000 3/34992 270.0 2.160 5.300 8.638 0.000 -0.000 -0.000 3/34992 280.0 2.084 5.112 8.331 0.000 -0.000 -0.000 3/34992 290.0 2.012 4.936 8.046 0.000 -0.000 -0.000 3/34992 300.0 1.946 4.773 7.779 0.000 -0.000 -0.000 3/34992 310.0 1.883 4.620 7.530 0.000 -0.000 -0.000 3/34992 320.0 1.825 4.477 7.296 0.000 -0.000 -0.000 3/34992 330.0 1.770 4.342 7.076 0.000 -0.000 -0.000 3/34992 340.0 1.719 4.215 6.870 0.000 -0.000 -0.000 3/34992 350.0 1.670 4.095 6.675 0.000 -0.000 -0.000 3/34992 360.0 1.624 3.982 6.490 0.000 -0.000 -0.000 3/34992 370.0 1.580 3.876 6.316 0.000 -0.000 -0.000 3/34992 380.0 1.539 3.774 6.151 0.000 -0.000 -0.000 3/34992 390.0 1.500 3.678 5.994 0.000 -0.000 -0.000 3/34992 400.0 1.463 3.587 5.846 0.000 -0.000 -0.000 3/34992 410.0 1.428 3.500 5.704 0.000 -0.000 -0.000 3/34992 420.0 1.394 3.417 5.569 0.000 -0.000 -0.000 3/34992 430.0 1.362 3.339 5.440 0.000 -0.000 -0.000 3/34992 440.0 1.331 3.263 5.318 0.000 -0.000 -0.000 3/34992 450.0 1.302 3.191 5.200 0.000 -0.000 -0.000 3/34992 460.0 1.274 3.122 5.088 0.000 -0.000 -0.000 3/34992 470.0 1.247 3.056 4.980 0.000 -0.000 -0.000 3/34992 480.0 1.221 2.993 4.877 0.000 -0.000 -0.000 3/34992 490.0 1.196 2.933 4.778 0.000 -0.000 -0.000 3/34992 500.0 1.173 2.874 4.683 0.000 -0.000 -0.000 3/34992 510.0 1.150 2.818 4.592 0.000 -0.000 -0.000 3/34992 520.0 1.128 2.765 4.505 0.000 -0.000 -0.000 3/34992 530.0 1.107 2.713 4.420 0.000 -0.000 -0.000 3/34992 540.0 1.087 2.663 4.339 0.000 -0.000 -0.000 3/34992 550.0 1.067 2.615 4.260 0.000 -0.000 -0.000 3/34992 560.0 1.048 2.569 4.185 0.000 -0.000 -0.000 3/34992 570.0 1.030 2.524 4.112 0.000 -0.000 -0.000 3/34992 580.0 1.012 2.481 4.041 0.000 -0.000 -0.000 3/34992 590.0 0.995 2.439 3.973 0.000 -0.000 -0.000 3/34992 600.0 0.979 2.399 3.908 0.000 -0.000 -0.000 3/34992 610.0 0.963 2.360 3.844 0.000 -0.000 -0.000 3/34992 620.0 0.947 2.322 3.782 0.000 -0.000 -0.000 3/34992 630.0 0.933 2.285 3.723 0.000 -0.000 -0.000 3/34992 640.0 0.918 2.250 3.665 0.000 -0.000 -0.000 3/34992 650.0 0.904 2.215 3.609 0.000 -0.000 -0.000 3/34992 660.0 0.891 2.182 3.554 0.000 -0.000 -0.000 3/34992 670.0 0.877 2.150 3.502 0.000 -0.000 -0.000 3/34992 680.0 0.865 2.118 3.450 0.000 -0.000 -0.000 3/34992 690.0 0.852 2.088 3.401 0.000 -0.000 -0.000 3/34992 700.0 0.840 2.058 3.352 0.000 -0.000 -0.000 3/34992 710.0 0.828 2.029 3.306 0.000 -0.000 -0.000 3/34992 720.0 0.817 2.001 3.260 0.000 -0.000 -0.000 3/34992 730.0 0.806 1.974 3.215 0.000 -0.000 -0.000 3/34992 740.0 0.795 1.948 3.172 0.000 -0.000 -0.000 3/34992 750.0 0.784 1.922 3.130 0.000 -0.000 -0.000 3/34992 760.0 0.774 1.897 3.089 0.000 -0.000 -0.000 3/34992 770.0 0.764 1.872 3.049 0.000 -0.000 -0.000 3/34992 780.0 0.755 1.849 3.010 0.000 -0.000 -0.000 3/34992 790.0 0.745 1.825 2.973 0.000 -0.000 -0.000 3/34992 800.0 0.736 1.803 2.936 0.000 -0.000 -0.000 3/34992 810.0 0.727 1.781 2.900 0.000 -0.000 -0.000 3/34992 820.0 0.718 1.759 2.864 0.000 -0.000 -0.000 3/34992 830.0 0.709 1.738 2.830 0.000 -0.000 -0.000 3/34992 840.0 0.701 1.717 2.797 0.000 -0.000 -0.000 3/34992 850.0 0.693 1.697 2.764 0.000 -0.000 -0.000 3/34992 860.0 0.685 1.678 2.732 0.000 -0.000 -0.000 3/34992 870.0 0.677 1.659 2.701 0.000 -0.000 -0.000 3/34992 880.0 0.669 1.640 2.670 0.000 -0.000 -0.000 3/34992 890.0 0.662 1.621 2.640 0.000 -0.000 -0.000 3/34992 900.0 0.655 1.604 2.611 0.000 -0.000 -0.000 3/34992 910.0 0.647 1.586 2.583 0.000 -0.000 -0.000 3/34992 920.0 0.640 1.569 2.555 0.000 -0.000 -0.000 3/34992 930.0 0.634 1.552 2.527 0.000 -0.000 -0.000 3/34992 940.0 0.627 1.536 2.501 0.000 -0.000 -0.000 3/34992 950.0 0.620 1.520 2.474 0.000 -0.000 -0.000 3/34992 960.0 0.614 1.504 2.449 0.000 -0.000 -0.000 3/34992 970.0 0.608 1.489 2.424 0.000 -0.000 -0.000 3/34992 980.0 0.602 1.473 2.399 0.000 -0.000 -0.000 3/34992 990.0 0.596 1.459 2.375 0.000 -0.000 -0.000 3/34992 1000.0 0.590 1.444 2.351 0.000 -0.000 -0.000 3/34992 Thermal conductivity related properties were written into "kappa-m999.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 17:59:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|