----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 13:23:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.470076489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.117536249999999 Atomic positions (fractional): *1 Li 0.58803191172235 0.00049414415425 0.82697898285713 6.941 2 Li 0.91196808827765 0.99950585584575 0.32697898285713 6.941 3 Li 0.41196808827765 0.50049414415425 0.17302101714287 6.941 4 Li 0.91196808827765 0.50049414415425 0.32697898285713 6.941 5 Li 0.41196808827765 0.99950585584575 0.17302101714287 6.941 6 Li 0.58803191172235 0.49950585584575 0.82697898285713 6.941 7 Li 0.08803191172235 0.00049414415425 0.67302101714287 6.941 8 Li 0.08803191172235 0.49950585584575 0.67302101714287 6.941 *9 Cd 0.33705638558987 0.75000000000000 0.67174624148519 112.411 10 Cd 0.16294361441013 0.25000000000000 0.17174624148519 112.411 11 Cd 0.83705638558987 0.75000000000000 0.82825375851481 112.411 12 Cd 0.66294361441013 0.25000000000000 0.32825375851481 112.411 *13 Si 0.34197223954673 0.25000000000000 0.66716437991257 28.085 14 Si 0.15802776045327 0.75000000000000 0.16716437991257 28.085 15 Si 0.84197223954673 0.25000000000000 0.83283562008743 28.085 16 Si 0.65802776045327 0.75000000000000 0.33283562008743 28.085 *17 O 0.41100510540520 0.04576989799121 0.79266835331719 15.999 18 O 0.91100510540520 0.45423010200879 0.70733164668281 15.999 *19 O 0.85478829939768 0.25000000000000 0.15352228313318 15.999 *20 O 0.19116079105583 0.25000000000000 0.74227531107259 15.999 21 O 0.58899489459480 0.54576989799121 0.20733164668281 15.999 22 O 0.08899489459480 0.95423010200879 0.29266835331719 15.999 23 O 0.30883920894417 0.75000000000000 0.24227531107259 15.999 24 O 0.14521170060232 0.75000000000000 0.84647771686682 15.999 25 O 0.41100510540520 0.45423010200879 0.79266835331719 15.999 26 O 0.80883920894418 0.75000000000000 0.25772468892741 15.999 27 O 0.35478829939768 0.25000000000000 0.34647771686682 15.999 28 O 0.58899489459480 0.95423010200879 0.20733164668281 15.999 29 O 0.69116079105582 0.25000000000000 0.75772468892741 15.999 30 O 0.08899489459480 0.54576989799121 0.29266835331719 15.999 31 O 0.91100510540520 0.04576989799121 0.70733164668281 15.999 32 O 0.64521170060232 0.75000000000000 0.65352228313318 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.470076489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.117536249999999 Atomic positions (fractional): *1 Li 0.58803191172235 0.00049414415425 0.82697898285713 6.941 > 1 2 Li 0.91196808827765 0.99950585584575 0.32697898285713 6.941 > 2 3 Li 0.41196808827765 0.50049414415425 0.17302101714287 6.941 > 3 4 Li 0.91196808827765 0.50049414415425 0.32697898285713 6.941 > 4 5 Li 0.41196808827765 0.99950585584575 0.17302101714287 6.941 > 5 6 Li 0.58803191172235 0.49950585584575 0.82697898285713 6.941 > 6 7 Li 0.08803191172235 0.00049414415425 0.67302101714287 6.941 > 7 8 Li 0.08803191172235 0.49950585584575 0.67302101714287 6.941 > 8 *9 Cd 0.33705638558987 0.75000000000000 0.67174624148519 112.411 > 9 10 Cd 0.16294361441013 0.25000000000000 0.17174624148519 112.411 > 10 11 Cd 0.83705638558987 0.75000000000000 0.82825375851481 112.411 > 11 12 Cd 0.66294361441013 0.25000000000000 0.32825375851481 112.411 > 12 *13 Si 0.34197223954673 0.25000000000000 0.66716437991257 28.085 > 13 14 Si 0.15802776045327 0.75000000000000 0.16716437991257 28.085 > 14 15 Si 0.84197223954673 0.25000000000000 0.83283562008743 28.085 > 15 16 Si 0.65802776045327 0.75000000000000 0.33283562008743 28.085 > 16 *17 O 0.41100510540520 0.04576989799121 0.79266835331719 15.999 > 17 18 O 0.91100510540520 0.45423010200879 0.70733164668281 15.999 > 18 *19 O 0.85478829939768 0.25000000000000 0.15352228313318 15.999 > 19 *20 O 0.19116079105583 0.25000000000000 0.74227531107259 15.999 > 20 21 O 0.58899489459480 0.54576989799121 0.20733164668281 15.999 > 21 22 O 0.08899489459480 0.95423010200879 0.29266835331719 15.999 > 22 23 O 0.30883920894417 0.75000000000000 0.24227531107259 15.999 > 23 24 O 0.14521170060232 0.75000000000000 0.84647771686682 15.999 > 24 25 O 0.41100510540520 0.45423010200879 0.79266835331719 15.999 > 25 26 O 0.80883920894418 0.75000000000000 0.25772468892741 15.999 > 26 27 O 0.35478829939768 0.25000000000000 0.34647771686682 15.999 > 27 28 O 0.58899489459480 0.95423010200879 0.20733164668281 15.999 > 28 29 O 0.69116079105582 0.25000000000000 0.75772468892741 15.999 > 29 30 O 0.08899489459480 0.54576989799121 0.29266835331719 15.999 > 30 31 O 0.91100510540520 0.04576989799121 0.70733164668281 15.999 > 31 32 O 0.64521170060232 0.75000000000000 0.65352228313318 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.940152979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.235072499999998 Atomic positions (fractional): *1 Li 0.58803191172235 0.00024707207712 0.41348949142857 6.941 > 1 2 Li 0.58803191172235 0.50024707207712 0.41348949142857 6.941 > 1 3 Li 0.58803191172235 0.00024707207712 0.91348949142857 6.941 > 1 4 Li 0.58803191172235 0.50024707207712 0.91348949142857 6.941 > 1 5 Li 0.91196808827765 0.49975292792288 0.16348949142857 6.941 > 2 6 Li 0.91196808827765 0.99975292792288 0.16348949142857 6.941 > 2 7 Li 0.91196808827765 0.49975292792288 0.66348949142857 6.941 > 2 8 Li 0.91196808827765 0.99975292792288 0.66348949142857 6.941 > 2 9 Li 0.41196808827765 0.25024707207712 0.08651050857143 6.941 > 3 10 Li 0.41196808827765 0.75024707207712 0.08651050857143 6.941 > 3 11 Li 0.41196808827765 0.25024707207712 0.58651050857143 6.941 > 3 12 Li 0.41196808827765 0.75024707207712 0.58651050857143 6.941 > 3 13 Li 0.91196808827765 0.25024707207712 0.16348949142857 6.941 > 4 14 Li 0.91196808827765 0.75024707207712 0.16348949142857 6.941 > 4 15 Li 0.91196808827765 0.25024707207712 0.66348949142857 6.941 > 4 16 Li 0.91196808827765 0.75024707207712 0.66348949142857 6.941 > 4 17 Li 0.41196808827765 0.49975292792288 0.08651050857143 6.941 > 5 18 Li 0.41196808827765 0.99975292792288 0.08651050857143 6.941 > 5 19 Li 0.41196808827765 0.49975292792288 0.58651050857143 6.941 > 5 20 Li 0.41196808827765 0.99975292792288 0.58651050857143 6.941 > 5 21 Li 0.58803191172235 0.24975292792288 0.41348949142857 6.941 > 6 22 Li 0.58803191172235 0.74975292792288 0.41348949142857 6.941 > 6 23 Li 0.58803191172235 0.24975292792288 0.91348949142857 6.941 > 6 24 Li 0.58803191172235 0.74975292792288 0.91348949142857 6.941 > 6 25 Li 0.08803191172235 0.00024707207712 0.33651050857143 6.941 > 7 26 Li 0.08803191172235 0.50024707207712 0.33651050857143 6.941 > 7 27 Li 0.08803191172235 0.00024707207712 0.83651050857143 6.941 > 7 28 Li 0.08803191172235 0.50024707207712 0.83651050857143 6.941 > 7 29 Li 0.08803191172235 0.24975292792288 0.33651050857143 6.941 > 8 30 Li 0.08803191172235 0.74975292792288 0.33651050857143 6.941 > 8 31 Li 0.08803191172235 0.24975292792288 0.83651050857143 6.941 > 8 32 Li 0.08803191172235 0.74975292792288 0.83651050857143 6.941 > 8 *33 Cd 0.33705638558987 0.37500000000000 0.33587312074259 112.411 > 9 34 Cd 0.33705638558987 0.87500000000000 0.33587312074259 112.411 > 9 35 Cd 0.33705638558987 0.37500000000000 0.83587312074259 112.411 > 9 36 Cd 0.33705638558987 0.87500000000000 0.83587312074259 112.411 > 9 37 Cd 0.16294361441013 0.12500000000000 0.08587312074259 112.411 > 10 38 Cd 0.16294361441013 0.62500000000000 0.08587312074259 112.411 > 10 39 Cd 0.16294361441013 0.12500000000000 0.58587312074259 112.411 > 10 40 Cd 0.16294361441013 0.62500000000000 0.58587312074259 112.411 > 10 41 Cd 0.83705638558987 0.37500000000000 0.41412687925741 112.411 > 11 42 Cd 0.83705638558987 0.87500000000000 0.41412687925741 112.411 > 11 43 Cd 0.83705638558987 0.37500000000000 0.91412687925741 112.411 > 11 44 Cd 0.83705638558987 0.87500000000000 0.91412687925741 112.411 > 11 45 Cd 0.66294361441013 0.12500000000000 0.16412687925741 112.411 > 12 46 Cd 0.66294361441013 0.62500000000000 0.16412687925741 112.411 > 12 47 Cd 0.66294361441013 0.12500000000000 0.66412687925741 112.411 > 12 48 Cd 0.66294361441013 0.62500000000000 0.66412687925741 112.411 > 12 *49 Si 0.34197223954673 0.12500000000000 0.33358218995628 28.085 > 13 50 Si 0.34197223954673 0.62500000000000 0.33358218995628 28.085 > 13 51 Si 0.34197223954673 0.12500000000000 0.83358218995628 28.085 > 13 52 Si 0.34197223954673 0.62500000000000 0.83358218995628 28.085 > 13 53 Si 0.15802776045327 0.37500000000000 0.08358218995628 28.085 > 14 54 Si 0.15802776045327 0.87500000000000 0.08358218995628 28.085 > 14 55 Si 0.15802776045327 0.37500000000000 0.58358218995628 28.085 > 14 56 Si 0.15802776045327 0.87500000000000 0.58358218995628 28.085 > 14 57 Si 0.84197223954673 0.12500000000000 0.41641781004372 28.085 > 15 58 Si 0.84197223954673 0.62500000000000 0.41641781004372 28.085 > 15 59 Si 0.84197223954673 0.12500000000000 0.91641781004372 28.085 > 15 60 Si 0.84197223954673 0.62500000000000 0.91641781004372 28.085 > 15 61 Si 0.65802776045327 0.37500000000000 0.16641781004372 28.085 > 16 62 Si 0.65802776045327 0.87500000000000 0.16641781004372 28.085 > 16 63 Si 0.65802776045327 0.37500000000000 0.66641781004372 28.085 > 16 64 Si 0.65802776045327 0.87500000000000 0.66641781004372 28.085 > 16 *65 O 0.41100510540520 0.02288494899561 0.39633417665859 15.999 > 17 66 O 0.41100510540520 0.52288494899561 0.39633417665859 15.999 > 17 67 O 0.41100510540520 0.02288494899561 0.89633417665859 15.999 > 17 68 O 0.41100510540520 0.52288494899561 0.89633417665859 15.999 > 17 69 O 0.91100510540520 0.22711505100439 0.35366582334141 15.999 > 18 70 O 0.91100510540520 0.72711505100439 0.35366582334141 15.999 > 18 71 O 0.91100510540520 0.22711505100439 0.85366582334141 15.999 > 18 72 O 0.91100510540520 0.72711505100439 0.85366582334141 15.999 > 18 *73 O 0.85478829939768 0.12500000000000 0.07676114156659 15.999 > 19 74 O 0.85478829939768 0.62500000000000 0.07676114156659 15.999 > 19 75 O 0.85478829939768 0.12500000000000 0.57676114156659 15.999 > 19 76 O 0.85478829939768 0.62500000000000 0.57676114156659 15.999 > 19 *77 O 0.19116079105583 0.12500000000000 0.37113765553629 15.999 > 20 78 O 0.19116079105583 0.62500000000000 0.37113765553629 15.999 > 20 79 O 0.19116079105583 0.12500000000000 0.87113765553629 15.999 > 20 80 O 0.19116079105583 0.62500000000000 0.87113765553629 15.999 > 20 81 O 0.58899489459480 0.27288494899561 0.10366582334141 15.999 > 21 82 O 0.58899489459480 0.77288494899561 0.10366582334141 15.999 > 21 83 O 0.58899489459480 0.27288494899561 0.60366582334141 15.999 > 21 84 O 0.58899489459480 0.77288494899561 0.60366582334141 15.999 > 21 85 O 0.08899489459480 0.47711505100439 0.14633417665859 15.999 > 22 86 O 0.08899489459480 0.97711505100439 0.14633417665859 15.999 > 22 87 O 0.08899489459480 0.47711505100439 0.64633417665859 15.999 > 22 88 O 0.08899489459480 0.97711505100439 0.64633417665859 15.999 > 22 89 O 0.30883920894417 0.37500000000000 0.12113765553629 15.999 > 23 90 O 0.30883920894417 0.87500000000000 0.12113765553629 15.999 > 23 91 O 0.30883920894417 0.37500000000000 0.62113765553629 15.999 > 23 92 O 0.30883920894417 0.87500000000000 0.62113765553629 15.999 > 23 93 O 0.14521170060232 0.37500000000000 0.42323885843341 15.999 > 24 94 O 0.14521170060232 0.87500000000000 0.42323885843341 15.999 > 24 95 O 0.14521170060232 0.37500000000000 0.92323885843341 15.999 > 24 96 O 0.14521170060232 0.87500000000000 0.92323885843341 15.999 > 24 97 O 0.41100510540520 0.22711505100439 0.39633417665859 15.999 > 25 98 O 0.41100510540520 0.72711505100439 0.39633417665859 15.999 > 25 99 O 0.41100510540520 0.22711505100439 0.89633417665859 15.999 > 25 100 O 0.41100510540520 0.72711505100439 0.89633417665859 15.999 > 25 101 O 0.80883920894418 0.37500000000000 0.12886234446371 15.999 > 26 102 O 0.80883920894418 0.87500000000000 0.12886234446371 15.999 > 26 103 O 0.80883920894418 0.37500000000000 0.62886234446371 15.999 > 26 104 O 0.80883920894418 0.87500000000000 0.62886234446371 15.999 > 26 105 O 0.35478829939768 0.12500000000000 0.17323885843341 15.999 > 27 106 O 0.35478829939768 0.62500000000000 0.17323885843341 15.999 > 27 107 O 0.35478829939768 0.12500000000000 0.67323885843341 15.999 > 27 108 O 0.35478829939768 0.62500000000000 0.67323885843341 15.999 > 27 109 O 0.58899489459480 0.47711505100439 0.10366582334141 15.999 > 28 110 O 0.58899489459480 0.97711505100439 0.10366582334141 15.999 > 28 111 O 0.58899489459480 0.47711505100439 0.60366582334141 15.999 > 28 112 O 0.58899489459480 0.97711505100439 0.60366582334141 15.999 > 28 113 O 0.69116079105582 0.12500000000000 0.37886234446371 15.999 > 29 114 O 0.69116079105582 0.62500000000000 0.37886234446371 15.999 > 29 115 O 0.69116079105582 0.12500000000000 0.87886234446371 15.999 > 29 116 O 0.69116079105582 0.62500000000000 0.87886234446371 15.999 > 29 117 O 0.08899489459480 0.27288494899561 0.14633417665859 15.999 > 30 118 O 0.08899489459480 0.77288494899561 0.14633417665859 15.999 > 30 119 O 0.08899489459480 0.27288494899561 0.64633417665859 15.999 > 30 120 O 0.08899489459480 0.77288494899561 0.64633417665859 15.999 > 30 121 O 0.91100510540520 0.02288494899561 0.35366582334141 15.999 > 31 122 O 0.91100510540520 0.52288494899561 0.35366582334141 15.999 > 31 123 O 0.91100510540520 0.02288494899561 0.85366582334141 15.999 > 31 124 O 0.91100510540520 0.52288494899561 0.85366582334141 15.999 > 31 125 O 0.64521170060232 0.37500000000000 0.32676114156659 15.999 > 32 126 O 0.64521170060232 0.87500000000000 0.32676114156659 15.999 > 32 127 O 0.64521170060232 0.37500000000000 0.82676114156659 15.999 > 32 128 O 0.64521170060232 0.87500000000000 0.82676114156659 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0760880 0.0000000 0.0000000 0.0000000 3.3708234 0.0000000 0.0000000 0.0000000 3.3037202 -------------------------- Born effective charges -------------------------- 1 Li 1.1092596 -0.0456021 0.0060814 -0.0052677 0.9547845 0.0098136 -0.0200358 -0.0127571 1.0515959 2 Li 1.1092596 -0.0456021 -0.0060814 -0.0052677 0.9547845 -0.0098136 0.0200358 0.0127571 1.0515959 3 Li 1.1092596 0.0456021 0.0060814 0.0052677 0.9547845 -0.0098136 -0.0200358 0.0127571 1.0515959 4 Li 1.1092596 0.0456021 -0.0060814 0.0052677 0.9547845 0.0098136 0.0200358 -0.0127571 1.0515959 5 Li 1.1092596 -0.0456021 0.0060814 -0.0052677 0.9547845 0.0098136 -0.0200358 -0.0127571 1.0515959 6 Li 1.1092596 0.0456021 0.0060814 0.0052677 0.9547845 -0.0098136 -0.0200358 0.0127571 1.0515959 7 Li 1.1092596 -0.0456021 -0.0060814 -0.0052677 0.9547845 -0.0098136 0.0200358 0.0127571 1.0515959 8 Li 1.1092596 0.0456021 -0.0060814 0.0052677 0.9547845 0.0098136 0.0200358 -0.0127571 1.0515959 9 Cd 1.9296323 0.0000000 -0.0069388 0.0000000 2.3658447 0.0000000 -0.1743444 0.0000000 2.3007019 10 Cd 1.9296323 0.0000000 0.0069388 0.0000000 2.3658447 0.0000000 0.1743444 0.0000000 2.3007019 11 Cd 1.9296323 0.0000000 0.0069388 0.0000000 2.3658447 0.0000000 0.1743444 0.0000000 2.3007019 12 Cd 1.9296323 0.0000000 -0.0069388 0.0000000 2.3658447 0.0000000 -0.1743444 0.0000000 2.3007019 13 Si 2.4400629 0.0000000 0.1553348 0.0000000 3.2140262 0.0000000 -0.5051984 0.0000000 2.8099792 14 Si 2.4400629 0.0000000 -0.1553348 0.0000000 3.2140262 0.0000000 0.5051984 0.0000000 2.8099792 15 Si 2.4400629 0.0000000 -0.1553348 0.0000000 3.2140262 0.0000000 0.5051984 0.0000000 2.8099792 16 Si 2.4400629 0.0000000 0.1553348 0.0000000 3.2140262 0.0000000 -0.5051984 0.0000000 2.8099792 17 O -1.5389083 0.1509863 -0.2014492 0.2443857 -2.3307553 0.2291374 -0.0500907 0.1509159 -1.4937994 18 O -1.5389083 -0.1509863 0.2014492 -0.2443857 -2.3307553 0.2291374 0.0500907 0.1509159 -1.4937994 19 O -1.6189257 0.0000000 0.1563885 0.0000000 -1.3975863 0.0000000 0.0006475 0.0000000 -2.2875341 20 O -1.8914720 0.0000000 0.2061543 0.0000000 -1.4303429 0.0000000 0.4467407 0.0000000 -1.9387399 21 O -1.5389083 -0.1509863 -0.2014492 -0.2443857 -2.3307553 -0.2291374 -0.0500907 -0.1509159 -1.4937994 22 O -1.5389083 0.1509863 0.2014492 0.2443857 -2.3307553 -0.2291374 0.0500907 -0.1509159 -1.4937994 23 O -1.8914720 0.0000000 -0.2061543 0.0000000 -1.4303429 0.0000000 -0.4467407 0.0000000 -1.9387399 24 O -1.6189257 0.0000000 0.1563885 0.0000000 -1.3975863 0.0000000 0.0006475 0.0000000 -2.2875341 25 O -1.5389083 -0.1509863 -0.2014492 -0.2443857 -2.3307553 -0.2291374 -0.0500907 -0.1509159 -1.4937994 26 O -1.8914720 0.0000000 0.2061543 0.0000000 -1.4303429 0.0000000 0.4467407 0.0000000 -1.9387399 27 O -1.6189257 0.0000000 -0.1563885 0.0000000 -1.3975863 0.0000000 -0.0006475 0.0000000 -2.2875341 28 O -1.5389083 0.1509863 -0.2014492 0.2443857 -2.3307553 0.2291374 -0.0500907 0.1509159 -1.4937994 29 O -1.8914720 0.0000000 -0.2061543 0.0000000 -1.4303429 0.0000000 -0.4467407 0.0000000 -1.9387399 30 O -1.5389083 -0.1509863 0.2014492 -0.2443857 -2.3307553 0.2291374 0.0500907 0.1509159 -1.4937994 31 O -1.5389083 0.1509863 0.2014492 0.2443857 -2.3307553 -0.2291374 0.0500907 -0.1509159 -1.4937994 32 O -1.6189257 0.0000000 -0.1563885 0.0000000 -1.3975863 0.0000000 -0.0006475 0.0000000 -2.2875341 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.855 Solver_block: 200 / 480 - Time: 0.752 Solver_block: 300 / 480 - Time: 0.757 Solver_block: 400 / 480 - Time: 0.919 Solver_block: 480 / 480 - Time: 0.610 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.292 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 70 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 328 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2418), data: False |-- (328, 322), data: True |-- (328, 322), data: True |-- (328, 322), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 18), data: (576, 30) @ (30, 18) |-- (76, 70), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 13:24:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:24:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.470076489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.117536249999999 Atomic positions (fractional): 1 Li 0.58803191172235 0.00049414415425 0.82697898285713 6.941 2 Li 0.91196808827765 0.99950585584575 0.32697898285713 6.941 3 Li 0.41196808827765 0.50049414415425 0.17302101714287 6.941 4 Li 0.91196808827765 0.50049414415425 0.32697898285713 6.941 5 Li 0.41196808827765 0.99950585584575 0.17302101714287 6.941 6 Li 0.58803191172235 0.49950585584575 0.82697898285713 6.941 7 Li 0.08803191172235 0.00049414415425 0.67302101714287 6.941 8 Li 0.08803191172235 0.49950585584575 0.67302101714287 6.941 9 Cd 0.33705638558987 0.75000000000000 0.67174624148519 112.411 10 Cd 0.16294361441013 0.25000000000000 0.17174624148519 112.411 11 Cd 0.83705638558987 0.75000000000000 0.82825375851481 112.411 12 Cd 0.66294361441013 0.25000000000000 0.32825375851481 112.411 13 Si 0.34197223954673 0.25000000000000 0.66716437991257 28.085 14 Si 0.15802776045327 0.75000000000000 0.16716437991257 28.085 15 Si 0.84197223954673 0.25000000000000 0.83283562008743 28.085 16 Si 0.65802776045327 0.75000000000000 0.33283562008743 28.085 17 O 0.41100510540520 0.04576989799121 0.79266835331719 15.999 18 O 0.91100510540520 0.45423010200879 0.70733164668281 15.999 19 O 0.85478829939768 0.25000000000000 0.15352228313318 15.999 20 O 0.19116079105583 0.25000000000000 0.74227531107259 15.999 21 O 0.58899489459480 0.54576989799121 0.20733164668281 15.999 22 O 0.08899489459480 0.95423010200879 0.29266835331719 15.999 23 O 0.30883920894417 0.75000000000000 0.24227531107259 15.999 24 O 0.14521170060232 0.75000000000000 0.84647771686682 15.999 25 O 0.41100510540520 0.45423010200879 0.79266835331719 15.999 26 O 0.80883920894418 0.75000000000000 0.25772468892741 15.999 27 O 0.35478829939768 0.25000000000000 0.34647771686682 15.999 28 O 0.58899489459480 0.95423010200879 0.20733164668281 15.999 29 O 0.69116079105582 0.25000000000000 0.75772468892741 15.999 30 O 0.08899489459480 0.54576989799121 0.29266835331719 15.999 31 O 0.91100510540520 0.04576989799121 0.70733164668281 15.999 32 O 0.64521170060232 0.75000000000000 0.65352228313318 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.940152979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.235072499999998 Atomic positions (fractional): 1 Li 0.58803191172235 0.00024707207712 0.41348949142857 6.941 > 1 2 Li 0.58803191172235 0.50024707207712 0.41348949142857 6.941 > 1 3 Li 0.58803191172235 0.00024707207712 0.91348949142857 6.941 > 1 4 Li 0.58803191172235 0.50024707207712 0.91348949142857 6.941 > 1 5 Li 0.91196808827765 0.49975292792288 0.16348949142857 6.941 > 5 6 Li 0.91196808827765 0.99975292792288 0.16348949142857 6.941 > 5 7 Li 0.91196808827765 0.49975292792288 0.66348949142857 6.941 > 5 8 Li 0.91196808827765 0.99975292792288 0.66348949142857 6.941 > 5 9 Li 0.41196808827765 0.25024707207712 0.08651050857143 6.941 > 9 10 Li 0.41196808827765 0.75024707207712 0.08651050857143 6.941 > 9 11 Li 0.41196808827765 0.25024707207712 0.58651050857143 6.941 > 9 12 Li 0.41196808827765 0.75024707207712 0.58651050857143 6.941 > 9 13 Li 0.91196808827765 0.25024707207712 0.16348949142857 6.941 > 13 14 Li 0.91196808827765 0.75024707207712 0.16348949142857 6.941 > 13 15 Li 0.91196808827765 0.25024707207712 0.66348949142857 6.941 > 13 16 Li 0.91196808827765 0.75024707207712 0.66348949142857 6.941 > 13 17 Li 0.41196808827765 0.49975292792288 0.08651050857143 6.941 > 17 18 Li 0.41196808827765 0.99975292792288 0.08651050857143 6.941 > 17 19 Li 0.41196808827765 0.49975292792288 0.58651050857143 6.941 > 17 20 Li 0.41196808827765 0.99975292792288 0.58651050857143 6.941 > 17 21 Li 0.58803191172235 0.24975292792288 0.41348949142857 6.941 > 21 22 Li 0.58803191172235 0.74975292792288 0.41348949142857 6.941 > 21 23 Li 0.58803191172235 0.24975292792288 0.91348949142857 6.941 > 21 24 Li 0.58803191172235 0.74975292792288 0.91348949142857 6.941 > 21 25 Li 0.08803191172235 0.00024707207712 0.33651050857143 6.941 > 25 26 Li 0.08803191172235 0.50024707207712 0.33651050857143 6.941 > 25 27 Li 0.08803191172235 0.00024707207712 0.83651050857143 6.941 > 25 28 Li 0.08803191172235 0.50024707207712 0.83651050857143 6.941 > 25 29 Li 0.08803191172235 0.24975292792288 0.33651050857143 6.941 > 29 30 Li 0.08803191172235 0.74975292792288 0.33651050857143 6.941 > 29 31 Li 0.08803191172235 0.24975292792288 0.83651050857143 6.941 > 29 32 Li 0.08803191172235 0.74975292792288 0.83651050857143 6.941 > 29 33 Cd 0.33705638558987 0.37500000000000 0.33587312074259 112.411 > 33 34 Cd 0.33705638558987 0.87500000000000 0.33587312074259 112.411 > 33 35 Cd 0.33705638558987 0.37500000000000 0.83587312074259 112.411 > 33 36 Cd 0.33705638558987 0.87500000000000 0.83587312074259 112.411 > 33 37 Cd 0.16294361441013 0.12500000000000 0.08587312074259 112.411 > 37 38 Cd 0.16294361441013 0.62500000000000 0.08587312074259 112.411 > 37 39 Cd 0.16294361441013 0.12500000000000 0.58587312074259 112.411 > 37 40 Cd 0.16294361441013 0.62500000000000 0.58587312074259 112.411 > 37 41 Cd 0.83705638558987 0.37500000000000 0.41412687925741 112.411 > 41 42 Cd 0.83705638558987 0.87500000000000 0.41412687925741 112.411 > 41 43 Cd 0.83705638558987 0.37500000000000 0.91412687925741 112.411 > 41 44 Cd 0.83705638558987 0.87500000000000 0.91412687925741 112.411 > 41 45 Cd 0.66294361441013 0.12500000000000 0.16412687925741 112.411 > 45 46 Cd 0.66294361441013 0.62500000000000 0.16412687925741 112.411 > 45 47 Cd 0.66294361441013 0.12500000000000 0.66412687925741 112.411 > 45 48 Cd 0.66294361441013 0.62500000000000 0.66412687925741 112.411 > 45 49 Si 0.34197223954673 0.12500000000000 0.33358218995628 28.085 > 49 50 Si 0.34197223954673 0.62500000000000 0.33358218995628 28.085 > 49 51 Si 0.34197223954673 0.12500000000000 0.83358218995628 28.085 > 49 52 Si 0.34197223954673 0.62500000000000 0.83358218995628 28.085 > 49 53 Si 0.15802776045327 0.37500000000000 0.08358218995628 28.085 > 53 54 Si 0.15802776045327 0.87500000000000 0.08358218995628 28.085 > 53 55 Si 0.15802776045327 0.37500000000000 0.58358218995628 28.085 > 53 56 Si 0.15802776045327 0.87500000000000 0.58358218995628 28.085 > 53 57 Si 0.84197223954673 0.12500000000000 0.41641781004372 28.085 > 57 58 Si 0.84197223954673 0.62500000000000 0.41641781004372 28.085 > 57 59 Si 0.84197223954673 0.12500000000000 0.91641781004372 28.085 > 57 60 Si 0.84197223954673 0.62500000000000 0.91641781004372 28.085 > 57 61 Si 0.65802776045327 0.37500000000000 0.16641781004372 28.085 > 61 62 Si 0.65802776045327 0.87500000000000 0.16641781004372 28.085 > 61 63 Si 0.65802776045327 0.37500000000000 0.66641781004372 28.085 > 61 64 Si 0.65802776045327 0.87500000000000 0.66641781004372 28.085 > 61 65 O 0.41100510540520 0.02288494899561 0.39633417665859 15.999 > 65 66 O 0.41100510540520 0.52288494899561 0.39633417665859 15.999 > 65 67 O 0.41100510540520 0.02288494899561 0.89633417665859 15.999 > 65 68 O 0.41100510540520 0.52288494899561 0.89633417665859 15.999 > 65 69 O 0.91100510540520 0.22711505100439 0.35366582334141 15.999 > 69 70 O 0.91100510540520 0.72711505100439 0.35366582334141 15.999 > 69 71 O 0.91100510540520 0.22711505100439 0.85366582334141 15.999 > 69 72 O 0.91100510540520 0.72711505100439 0.85366582334141 15.999 > 69 73 O 0.85478829939768 0.12500000000000 0.07676114156659 15.999 > 73 74 O 0.85478829939768 0.62500000000000 0.07676114156659 15.999 > 73 75 O 0.85478829939768 0.12500000000000 0.57676114156659 15.999 > 73 76 O 0.85478829939768 0.62500000000000 0.57676114156659 15.999 > 73 77 O 0.19116079105583 0.12500000000000 0.37113765553629 15.999 > 77 78 O 0.19116079105583 0.62500000000000 0.37113765553629 15.999 > 77 79 O 0.19116079105583 0.12500000000000 0.87113765553629 15.999 > 77 80 O 0.19116079105583 0.62500000000000 0.87113765553629 15.999 > 77 81 O 0.58899489459480 0.27288494899561 0.10366582334141 15.999 > 81 82 O 0.58899489459480 0.77288494899561 0.10366582334141 15.999 > 81 83 O 0.58899489459480 0.27288494899561 0.60366582334141 15.999 > 81 84 O 0.58899489459480 0.77288494899561 0.60366582334141 15.999 > 81 85 O 0.08899489459480 0.47711505100439 0.14633417665859 15.999 > 85 86 O 0.08899489459480 0.97711505100439 0.14633417665859 15.999 > 85 87 O 0.08899489459480 0.47711505100439 0.64633417665859 15.999 > 85 88 O 0.08899489459480 0.97711505100439 0.64633417665859 15.999 > 85 89 O 0.30883920894417 0.37500000000000 0.12113765553629 15.999 > 89 90 O 0.30883920894417 0.87500000000000 0.12113765553629 15.999 > 89 91 O 0.30883920894417 0.37500000000000 0.62113765553629 15.999 > 89 92 O 0.30883920894417 0.87500000000000 0.62113765553629 15.999 > 89 93 O 0.14521170060232 0.37500000000000 0.42323885843341 15.999 > 93 94 O 0.14521170060232 0.87500000000000 0.42323885843341 15.999 > 93 95 O 0.14521170060232 0.37500000000000 0.92323885843341 15.999 > 93 96 O 0.14521170060232 0.87500000000000 0.92323885843341 15.999 > 93 97 O 0.41100510540520 0.22711505100439 0.39633417665859 15.999 > 97 98 O 0.41100510540520 0.72711505100439 0.39633417665859 15.999 > 97 99 O 0.41100510540520 0.22711505100439 0.89633417665859 15.999 > 97 100 O 0.41100510540520 0.72711505100439 0.89633417665859 15.999 > 97 101 O 0.80883920894418 0.37500000000000 0.12886234446371 15.999 > 101 102 O 0.80883920894418 0.87500000000000 0.12886234446371 15.999 > 101 103 O 0.80883920894418 0.37500000000000 0.62886234446371 15.999 > 101 104 O 0.80883920894418 0.87500000000000 0.62886234446371 15.999 > 101 105 O 0.35478829939768 0.12500000000000 0.17323885843341 15.999 > 105 106 O 0.35478829939768 0.62500000000000 0.17323885843341 15.999 > 105 107 O 0.35478829939768 0.12500000000000 0.67323885843341 15.999 > 105 108 O 0.35478829939768 0.62500000000000 0.67323885843341 15.999 > 105 109 O 0.58899489459480 0.47711505100439 0.10366582334141 15.999 > 109 110 O 0.58899489459480 0.97711505100439 0.10366582334141 15.999 > 109 111 O 0.58899489459480 0.47711505100439 0.60366582334141 15.999 > 109 112 O 0.58899489459480 0.97711505100439 0.60366582334141 15.999 > 109 113 O 0.69116079105582 0.12500000000000 0.37886234446371 15.999 > 113 114 O 0.69116079105582 0.62500000000000 0.37886234446371 15.999 > 113 115 O 0.69116079105582 0.12500000000000 0.87886234446371 15.999 > 113 116 O 0.69116079105582 0.62500000000000 0.87886234446371 15.999 > 113 117 O 0.08899489459480 0.27288494899561 0.14633417665859 15.999 > 117 118 O 0.08899489459480 0.77288494899561 0.14633417665859 15.999 > 117 119 O 0.08899489459480 0.27288494899561 0.64633417665859 15.999 > 117 120 O 0.08899489459480 0.77288494899561 0.64633417665859 15.999 > 117 121 O 0.91100510540520 0.02288494899561 0.35366582334141 15.999 > 121 122 O 0.91100510540520 0.52288494899561 0.35366582334141 15.999 > 121 123 O 0.91100510540520 0.02288494899561 0.85366582334141 15.999 > 121 124 O 0.91100510540520 0.52288494899561 0.85366582334141 15.999 > 121 125 O 0.64521170060232 0.37500000000000 0.32676114156659 15.999 > 125 126 O 0.64521170060232 0.87500000000000 0.32676114156659 15.999 > 125 127 O 0.64521170060232 0.37500000000000 0.82676114156659 15.999 > 125 128 O 0.64521170060232 0.87500000000000 0.82676114156659 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0760880 0.0000000 0.0000000 0.0000000 3.3708234 0.0000000 0.0000000 0.0000000 3.3037202 -------------------------- Born effective charges -------------------------- 1 Li 1.1092596 -0.0456021 0.0060814 -0.0052677 0.9547845 0.0098136 -0.0200358 -0.0127571 1.0515959 2 Li 1.1092596 -0.0456021 -0.0060814 -0.0052677 0.9547845 -0.0098136 0.0200358 0.0127571 1.0515959 3 Li 1.1092596 0.0456021 0.0060814 0.0052677 0.9547845 -0.0098136 -0.0200358 0.0127571 1.0515959 4 Li 1.1092596 0.0456021 -0.0060814 0.0052677 0.9547845 0.0098136 0.0200358 -0.0127571 1.0515959 5 Li 1.1092596 -0.0456021 0.0060814 -0.0052677 0.9547845 0.0098136 -0.0200358 -0.0127571 1.0515959 6 Li 1.1092596 0.0456021 0.0060814 0.0052677 0.9547845 -0.0098136 -0.0200358 0.0127571 1.0515959 7 Li 1.1092596 -0.0456021 -0.0060814 -0.0052677 0.9547845 -0.0098136 0.0200358 0.0127571 1.0515959 8 Li 1.1092596 0.0456021 -0.0060814 0.0052677 0.9547845 0.0098136 0.0200358 -0.0127571 1.0515959 9 Cd 1.9296323 0.0000000 -0.0069388 0.0000000 2.3658447 0.0000000 -0.1743444 0.0000000 2.3007019 10 Cd 1.9296323 0.0000000 0.0069388 0.0000000 2.3658447 0.0000000 0.1743444 0.0000000 2.3007019 11 Cd 1.9296323 0.0000000 0.0069388 0.0000000 2.3658447 0.0000000 0.1743444 0.0000000 2.3007019 12 Cd 1.9296323 0.0000000 -0.0069388 0.0000000 2.3658447 0.0000000 -0.1743444 0.0000000 2.3007019 13 Si 2.4400629 0.0000000 0.1553348 0.0000000 3.2140262 0.0000000 -0.5051984 0.0000000 2.8099792 14 Si 2.4400629 0.0000000 -0.1553348 0.0000000 3.2140262 0.0000000 0.5051984 0.0000000 2.8099792 15 Si 2.4400629 0.0000000 -0.1553348 0.0000000 3.2140262 0.0000000 0.5051984 0.0000000 2.8099792 16 Si 2.4400629 0.0000000 0.1553348 0.0000000 3.2140262 0.0000000 -0.5051984 0.0000000 2.8099792 17 O -1.5389083 0.1509863 -0.2014492 0.2443857 -2.3307553 0.2291374 -0.0500907 0.1509159 -1.4937994 18 O -1.5389083 -0.1509863 0.2014492 -0.2443857 -2.3307553 0.2291374 0.0500907 0.1509159 -1.4937994 19 O -1.6189257 0.0000000 0.1563885 0.0000000 -1.3975863 0.0000000 0.0006475 0.0000000 -2.2875341 20 O -1.8914720 0.0000000 0.2061543 0.0000000 -1.4303429 0.0000000 0.4467407 0.0000000 -1.9387399 21 O -1.5389083 -0.1509863 -0.2014492 -0.2443857 -2.3307553 -0.2291374 -0.0500907 -0.1509159 -1.4937994 22 O -1.5389083 0.1509863 0.2014492 0.2443857 -2.3307553 -0.2291374 0.0500907 -0.1509159 -1.4937994 23 O -1.8914720 0.0000000 -0.2061543 0.0000000 -1.4303429 0.0000000 -0.4467407 0.0000000 -1.9387399 24 O -1.6189257 0.0000000 0.1563885 0.0000000 -1.3975863 0.0000000 0.0006475 0.0000000 -2.2875341 25 O -1.5389083 -0.1509863 -0.2014492 -0.2443857 -2.3307553 -0.2291374 -0.0500907 -0.1509159 -1.4937994 26 O -1.8914720 0.0000000 0.2061543 0.0000000 -1.4303429 0.0000000 0.4467407 0.0000000 -1.9387399 27 O -1.6189257 0.0000000 -0.1563885 0.0000000 -1.3975863 0.0000000 -0.0006475 0.0000000 -2.2875341 28 O -1.5389083 0.1509863 -0.2014492 0.2443857 -2.3307553 0.2291374 -0.0500907 0.1509159 -1.4937994 29 O -1.8914720 0.0000000 -0.2061543 0.0000000 -1.4303429 0.0000000 -0.4467407 0.0000000 -1.9387399 30 O -1.5389083 -0.1509863 0.2014492 -0.2443857 -2.3307553 0.2291374 0.0500907 0.1509159 -1.4937994 31 O -1.5389083 0.1509863 0.2014492 0.2443857 -2.3307553 -0.2291374 0.0500907 -0.1509159 -1.4937994 32 O -1.6189257 0.0000000 -0.1563885 0.0000000 -1.3975863 0.0000000 -0.0006475 0.0000000 -2.2875341 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 77, 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: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) 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 13:24:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 13:24:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 6.470076489999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.117536249999999 Atomic positions (fractional): 1 Li 0.58803191172235 0.00049414415425 0.82697898285713 6.941 2 Li 0.91196808827765 0.99950585584575 0.32697898285713 6.941 3 Li 0.41196808827765 0.50049414415425 0.17302101714287 6.941 4 Li 0.91196808827765 0.50049414415425 0.32697898285713 6.941 5 Li 0.41196808827765 0.99950585584575 0.17302101714287 6.941 6 Li 0.58803191172235 0.49950585584575 0.82697898285713 6.941 7 Li 0.08803191172235 0.00049414415425 0.67302101714287 6.941 8 Li 0.08803191172235 0.49950585584575 0.67302101714287 6.941 9 Cd 0.33705638558987 0.75000000000000 0.67174624148519 112.411 10 Cd 0.16294361441013 0.25000000000000 0.17174624148519 112.411 11 Cd 0.83705638558987 0.75000000000000 0.82825375851481 112.411 12 Cd 0.66294361441013 0.25000000000000 0.32825375851481 112.411 13 Si 0.34197223954673 0.25000000000000 0.66716437991257 28.085 14 Si 0.15802776045327 0.75000000000000 0.16716437991257 28.085 15 Si 0.84197223954673 0.25000000000000 0.83283562008743 28.085 16 Si 0.65802776045327 0.75000000000000 0.33283562008743 28.085 17 O 0.41100510540520 0.04576989799121 0.79266835331719 15.999 18 O 0.91100510540520 0.45423010200879 0.70733164668281 15.999 19 O 0.85478829939768 0.25000000000000 0.15352228313318 15.999 20 O 0.19116079105583 0.25000000000000 0.74227531107259 15.999 21 O 0.58899489459480 0.54576989799121 0.20733164668281 15.999 22 O 0.08899489459480 0.95423010200879 0.29266835331719 15.999 23 O 0.30883920894417 0.75000000000000 0.24227531107259 15.999 24 O 0.14521170060232 0.75000000000000 0.84647771686682 15.999 25 O 0.41100510540520 0.45423010200879 0.79266835331719 15.999 26 O 0.80883920894418 0.75000000000000 0.25772468892741 15.999 27 O 0.35478829939768 0.25000000000000 0.34647771686682 15.999 28 O 0.58899489459480 0.95423010200879 0.20733164668281 15.999 29 O 0.69116079105582 0.25000000000000 0.75772468892741 15.999 30 O 0.08899489459480 0.54576989799121 0.29266835331719 15.999 31 O 0.91100510540520 0.04576989799121 0.70733164668281 15.999 32 O 0.64521170060232 0.75000000000000 0.65352228313318 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.710538410000000 0.000000000000000 0.000000000000000 b 0.000000000000000 12.940152979999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.235072499999998 Atomic positions (fractional): 1 Li 0.58803191172235 0.00024707207712 0.41348949142857 6.941 > 1 2 Li 0.58803191172235 0.50024707207712 0.41348949142857 6.941 > 1 3 Li 0.58803191172235 0.00024707207712 0.91348949142857 6.941 > 1 4 Li 0.58803191172235 0.50024707207712 0.91348949142857 6.941 > 1 5 Li 0.91196808827765 0.49975292792288 0.16348949142857 6.941 > 5 6 Li 0.91196808827765 0.99975292792288 0.16348949142857 6.941 > 5 7 Li 0.91196808827765 0.49975292792288 0.66348949142857 6.941 > 5 8 Li 0.91196808827765 0.99975292792288 0.66348949142857 6.941 > 5 9 Li 0.41196808827765 0.25024707207712 0.08651050857143 6.941 > 9 10 Li 0.41196808827765 0.75024707207712 0.08651050857143 6.941 > 9 11 Li 0.41196808827765 0.25024707207712 0.58651050857143 6.941 > 9 12 Li 0.41196808827765 0.75024707207712 0.58651050857143 6.941 > 9 13 Li 0.91196808827765 0.25024707207712 0.16348949142857 6.941 > 13 14 Li 0.91196808827765 0.75024707207712 0.16348949142857 6.941 > 13 15 Li 0.91196808827765 0.25024707207712 0.66348949142857 6.941 > 13 16 Li 0.91196808827765 0.75024707207712 0.66348949142857 6.941 > 13 17 Li 0.41196808827765 0.49975292792288 0.08651050857143 6.941 > 17 18 Li 0.41196808827765 0.99975292792288 0.08651050857143 6.941 > 17 19 Li 0.41196808827765 0.49975292792288 0.58651050857143 6.941 > 17 20 Li 0.41196808827765 0.99975292792288 0.58651050857143 6.941 > 17 21 Li 0.58803191172235 0.24975292792288 0.41348949142857 6.941 > 21 22 Li 0.58803191172235 0.74975292792288 0.41348949142857 6.941 > 21 23 Li 0.58803191172235 0.24975292792288 0.91348949142857 6.941 > 21 24 Li 0.58803191172235 0.74975292792288 0.91348949142857 6.941 > 21 25 Li 0.08803191172235 0.00024707207712 0.33651050857143 6.941 > 25 26 Li 0.08803191172235 0.50024707207712 0.33651050857143 6.941 > 25 27 Li 0.08803191172235 0.00024707207712 0.83651050857143 6.941 > 25 28 Li 0.08803191172235 0.50024707207712 0.83651050857143 6.941 > 25 29 Li 0.08803191172235 0.24975292792288 0.33651050857143 6.941 > 29 30 Li 0.08803191172235 0.74975292792288 0.33651050857143 6.941 > 29 31 Li 0.08803191172235 0.24975292792288 0.83651050857143 6.941 > 29 32 Li 0.08803191172235 0.74975292792288 0.83651050857143 6.941 > 29 33 Cd 0.33705638558987 0.37500000000000 0.33587312074259 112.411 > 33 34 Cd 0.33705638558987 0.87500000000000 0.33587312074259 112.411 > 33 35 Cd 0.33705638558987 0.37500000000000 0.83587312074259 112.411 > 33 36 Cd 0.33705638558987 0.87500000000000 0.83587312074259 112.411 > 33 37 Cd 0.16294361441013 0.12500000000000 0.08587312074259 112.411 > 37 38 Cd 0.16294361441013 0.62500000000000 0.08587312074259 112.411 > 37 39 Cd 0.16294361441013 0.12500000000000 0.58587312074259 112.411 > 37 40 Cd 0.16294361441013 0.62500000000000 0.58587312074259 112.411 > 37 41 Cd 0.83705638558987 0.37500000000000 0.41412687925741 112.411 > 41 42 Cd 0.83705638558987 0.87500000000000 0.41412687925741 112.411 > 41 43 Cd 0.83705638558987 0.37500000000000 0.91412687925741 112.411 > 41 44 Cd 0.83705638558987 0.87500000000000 0.91412687925741 112.411 > 41 45 Cd 0.66294361441013 0.12500000000000 0.16412687925741 112.411 > 45 46 Cd 0.66294361441013 0.62500000000000 0.16412687925741 112.411 > 45 47 Cd 0.66294361441013 0.12500000000000 0.66412687925741 112.411 > 45 48 Cd 0.66294361441013 0.62500000000000 0.66412687925741 112.411 > 45 49 Si 0.34197223954673 0.12500000000000 0.33358218995628 28.085 > 49 50 Si 0.34197223954673 0.62500000000000 0.33358218995628 28.085 > 49 51 Si 0.34197223954673 0.12500000000000 0.83358218995628 28.085 > 49 52 Si 0.34197223954673 0.62500000000000 0.83358218995628 28.085 > 49 53 Si 0.15802776045327 0.37500000000000 0.08358218995628 28.085 > 53 54 Si 0.15802776045327 0.87500000000000 0.08358218995628 28.085 > 53 55 Si 0.15802776045327 0.37500000000000 0.58358218995628 28.085 > 53 56 Si 0.15802776045327 0.87500000000000 0.58358218995628 28.085 > 53 57 Si 0.84197223954673 0.12500000000000 0.41641781004372 28.085 > 57 58 Si 0.84197223954673 0.62500000000000 0.41641781004372 28.085 > 57 59 Si 0.84197223954673 0.12500000000000 0.91641781004372 28.085 > 57 60 Si 0.84197223954673 0.62500000000000 0.91641781004372 28.085 > 57 61 Si 0.65802776045327 0.37500000000000 0.16641781004372 28.085 > 61 62 Si 0.65802776045327 0.87500000000000 0.16641781004372 28.085 > 61 63 Si 0.65802776045327 0.37500000000000 0.66641781004372 28.085 > 61 64 Si 0.65802776045327 0.87500000000000 0.66641781004372 28.085 > 61 65 O 0.41100510540520 0.02288494899561 0.39633417665859 15.999 > 65 66 O 0.41100510540520 0.52288494899561 0.39633417665859 15.999 > 65 67 O 0.41100510540520 0.02288494899561 0.89633417665859 15.999 > 65 68 O 0.41100510540520 0.52288494899561 0.89633417665859 15.999 > 65 69 O 0.91100510540520 0.22711505100439 0.35366582334141 15.999 > 69 70 O 0.91100510540520 0.72711505100439 0.35366582334141 15.999 > 69 71 O 0.91100510540520 0.22711505100439 0.85366582334141 15.999 > 69 72 O 0.91100510540520 0.72711505100439 0.85366582334141 15.999 > 69 73 O 0.85478829939768 0.12500000000000 0.07676114156659 15.999 > 73 74 O 0.85478829939768 0.62500000000000 0.07676114156659 15.999 > 73 75 O 0.85478829939768 0.12500000000000 0.57676114156659 15.999 > 73 76 O 0.85478829939768 0.62500000000000 0.57676114156659 15.999 > 73 77 O 0.19116079105583 0.12500000000000 0.37113765553629 15.999 > 77 78 O 0.19116079105583 0.62500000000000 0.37113765553629 15.999 > 77 79 O 0.19116079105583 0.12500000000000 0.87113765553629 15.999 > 77 80 O 0.19116079105583 0.62500000000000 0.87113765553629 15.999 > 77 81 O 0.58899489459480 0.27288494899561 0.10366582334141 15.999 > 81 82 O 0.58899489459480 0.77288494899561 0.10366582334141 15.999 > 81 83 O 0.58899489459480 0.27288494899561 0.60366582334141 15.999 > 81 84 O 0.58899489459480 0.77288494899561 0.60366582334141 15.999 > 81 85 O 0.08899489459480 0.47711505100439 0.14633417665859 15.999 > 85 86 O 0.08899489459480 0.97711505100439 0.14633417665859 15.999 > 85 87 O 0.08899489459480 0.47711505100439 0.64633417665859 15.999 > 85 88 O 0.08899489459480 0.97711505100439 0.64633417665859 15.999 > 85 89 O 0.30883920894417 0.37500000000000 0.12113765553629 15.999 > 89 90 O 0.30883920894417 0.87500000000000 0.12113765553629 15.999 > 89 91 O 0.30883920894417 0.37500000000000 0.62113765553629 15.999 > 89 92 O 0.30883920894417 0.87500000000000 0.62113765553629 15.999 > 89 93 O 0.14521170060232 0.37500000000000 0.42323885843341 15.999 > 93 94 O 0.14521170060232 0.87500000000000 0.42323885843341 15.999 > 93 95 O 0.14521170060232 0.37500000000000 0.92323885843341 15.999 > 93 96 O 0.14521170060232 0.87500000000000 0.92323885843341 15.999 > 93 97 O 0.41100510540520 0.22711505100439 0.39633417665859 15.999 > 97 98 O 0.41100510540520 0.72711505100439 0.39633417665859 15.999 > 97 99 O 0.41100510540520 0.22711505100439 0.89633417665859 15.999 > 97 100 O 0.41100510540520 0.72711505100439 0.89633417665859 15.999 > 97 101 O 0.80883920894418 0.37500000000000 0.12886234446371 15.999 > 101 102 O 0.80883920894418 0.87500000000000 0.12886234446371 15.999 > 101 103 O 0.80883920894418 0.37500000000000 0.62886234446371 15.999 > 101 104 O 0.80883920894418 0.87500000000000 0.62886234446371 15.999 > 101 105 O 0.35478829939768 0.12500000000000 0.17323885843341 15.999 > 105 106 O 0.35478829939768 0.62500000000000 0.17323885843341 15.999 > 105 107 O 0.35478829939768 0.12500000000000 0.67323885843341 15.999 > 105 108 O 0.35478829939768 0.62500000000000 0.67323885843341 15.999 > 105 109 O 0.58899489459480 0.47711505100439 0.10366582334141 15.999 > 109 110 O 0.58899489459480 0.97711505100439 0.10366582334141 15.999 > 109 111 O 0.58899489459480 0.47711505100439 0.60366582334141 15.999 > 109 112 O 0.58899489459480 0.97711505100439 0.60366582334141 15.999 > 109 113 O 0.69116079105582 0.12500000000000 0.37886234446371 15.999 > 113 114 O 0.69116079105582 0.62500000000000 0.37886234446371 15.999 > 113 115 O 0.69116079105582 0.12500000000000 0.87886234446371 15.999 > 113 116 O 0.69116079105582 0.62500000000000 0.87886234446371 15.999 > 113 117 O 0.08899489459480 0.27288494899561 0.14633417665859 15.999 > 117 118 O 0.08899489459480 0.77288494899561 0.14633417665859 15.999 > 117 119 O 0.08899489459480 0.27288494899561 0.64633417665859 15.999 > 117 120 O 0.08899489459480 0.77288494899561 0.64633417665859 15.999 > 117 121 O 0.91100510540520 0.02288494899561 0.35366582334141 15.999 > 121 122 O 0.91100510540520 0.52288494899561 0.35366582334141 15.999 > 121 123 O 0.91100510540520 0.02288494899561 0.85366582334141 15.999 > 121 124 O 0.91100510540520 0.52288494899561 0.85366582334141 15.999 > 121 125 O 0.64521170060232 0.37500000000000 0.32676114156659 15.999 > 125 126 O 0.64521170060232 0.87500000000000 0.32676114156659 15.999 > 125 127 O 0.64521170060232 0.37500000000000 0.82676114156659 15.999 > 125 128 O 0.64521170060232 0.87500000000000 0.82676114156659 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0760880 0.0000000 0.0000000 0.0000000 3.3708234 0.0000000 0.0000000 0.0000000 3.3037202 -------------------------- Born effective charges -------------------------- 1 Li 1.1092596 -0.0456021 0.0060814 -0.0052677 0.9547845 0.0098136 -0.0200358 -0.0127571 1.0515959 2 Li 1.1092596 -0.0456021 -0.0060814 -0.0052677 0.9547845 -0.0098136 0.0200358 0.0127571 1.0515959 3 Li 1.1092596 0.0456021 0.0060814 0.0052677 0.9547845 -0.0098136 -0.0200358 0.0127571 1.0515959 4 Li 1.1092596 0.0456021 -0.0060814 0.0052677 0.9547845 0.0098136 0.0200358 -0.0127571 1.0515959 5 Li 1.1092596 -0.0456021 0.0060814 -0.0052677 0.9547845 0.0098136 -0.0200358 -0.0127571 1.0515959 6 Li 1.1092596 0.0456021 0.0060814 0.0052677 0.9547845 -0.0098136 -0.0200358 0.0127571 1.0515959 7 Li 1.1092596 -0.0456021 -0.0060814 -0.0052677 0.9547845 -0.0098136 0.0200358 0.0127571 1.0515959 8 Li 1.1092596 0.0456021 -0.0060814 0.0052677 0.9547845 0.0098136 0.0200358 -0.0127571 1.0515959 9 Cd 1.9296323 0.0000000 -0.0069388 0.0000000 2.3658447 0.0000000 -0.1743444 0.0000000 2.3007019 10 Cd 1.9296323 0.0000000 0.0069388 0.0000000 2.3658447 0.0000000 0.1743444 0.0000000 2.3007019 11 Cd 1.9296323 0.0000000 0.0069388 0.0000000 2.3658447 0.0000000 0.1743444 0.0000000 2.3007019 12 Cd 1.9296323 0.0000000 -0.0069388 0.0000000 2.3658447 0.0000000 -0.1743444 0.0000000 2.3007019 13 Si 2.4400629 0.0000000 0.1553348 0.0000000 3.2140262 0.0000000 -0.5051984 0.0000000 2.8099792 14 Si 2.4400629 0.0000000 -0.1553348 0.0000000 3.2140262 0.0000000 0.5051984 0.0000000 2.8099792 15 Si 2.4400629 0.0000000 -0.1553348 0.0000000 3.2140262 0.0000000 0.5051984 0.0000000 2.8099792 16 Si 2.4400629 0.0000000 0.1553348 0.0000000 3.2140262 0.0000000 -0.5051984 0.0000000 2.8099792 17 O -1.5389083 0.1509863 -0.2014492 0.2443857 -2.3307553 0.2291374 -0.0500907 0.1509159 -1.4937994 18 O -1.5389083 -0.1509863 0.2014492 -0.2443857 -2.3307553 0.2291374 0.0500907 0.1509159 -1.4937994 19 O -1.6189257 0.0000000 0.1563885 0.0000000 -1.3975863 0.0000000 0.0006475 0.0000000 -2.2875341 20 O -1.8914720 0.0000000 0.2061543 0.0000000 -1.4303429 0.0000000 0.4467407 0.0000000 -1.9387399 21 O -1.5389083 -0.1509863 -0.2014492 -0.2443857 -2.3307553 -0.2291374 -0.0500907 -0.1509159 -1.4937994 22 O -1.5389083 0.1509863 0.2014492 0.2443857 -2.3307553 -0.2291374 0.0500907 -0.1509159 -1.4937994 23 O -1.8914720 0.0000000 -0.2061543 0.0000000 -1.4303429 0.0000000 -0.4467407 0.0000000 -1.9387399 24 O -1.6189257 0.0000000 0.1563885 0.0000000 -1.3975863 0.0000000 0.0006475 0.0000000 -2.2875341 25 O -1.5389083 -0.1509863 -0.2014492 -0.2443857 -2.3307553 -0.2291374 -0.0500907 -0.1509159 -1.4937994 26 O -1.8914720 0.0000000 0.2061543 0.0000000 -1.4303429 0.0000000 0.4467407 0.0000000 -1.9387399 27 O -1.6189257 0.0000000 -0.1563885 0.0000000 -1.3975863 0.0000000 -0.0006475 0.0000000 -2.2875341 28 O -1.5389083 0.1509863 -0.2014492 0.2443857 -2.3307553 0.2291374 -0.0500907 0.1509159 -1.4937994 29 O -1.8914720 0.0000000 -0.2061543 0.0000000 -1.4303429 0.0000000 -0.4467407 0.0000000 -1.9387399 30 O -1.5389083 -0.1509863 0.2014492 -0.2443857 -2.3307553 0.2291374 0.0500907 0.1509159 -1.4937994 31 O -1.5389083 0.1509863 0.2014492 0.2443857 -2.3307553 -0.2291374 0.0500907 -0.1509159 -1.4937994 32 O -1.6189257 0.0000000 -0.1563885 0.0000000 -1.3975863 0.0000000 -0.0006475 0.0000000 -2.2875341 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000002 (yxy) -0.00000002 (yxy) -0.00000002 (yyx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 8 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.59, Number of G-points: 289, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.897 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.292 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.513 ( 0.000 0.000 0.000) 0.000 2.603 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 4.582 ( 0.000 0.000 0.000) 0.000 4.819 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.891 ( 0.000 0.000 0.000) 0.000 4.950 ( 0.000 0.000 0.000) 0.000 5.203 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.349 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 7.170 ( 0.000 0.000 0.000) 0.000 7.558 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 8.964 ( 0.000 0.000 0.000) 0.000 9.177 ( 0.000 0.000 0.000) 0.000 9.224 ( 0.000 0.000 0.000) 0.000 9.257 ( 0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.850 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.945 ( 0.000 0.000 0.000) 0.000 11.095 ( 0.000 0.000 0.000) 0.000 11.302 ( 0.000 0.000 0.000) 0.000 11.465 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 11.568 ( 0.000 0.000 0.000) 0.000 11.806 ( 0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 12.043 ( 0.000 0.000 0.000) 0.000 12.278 ( 0.000 0.000 0.000) 0.000 12.316 ( 0.000 0.000 0.000) 0.000 12.328 ( 0.000 0.000 0.000) 0.000 12.337 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.698 ( 0.000 0.000 0.000) 0.000 12.747 ( 0.000 0.000 0.000) 0.000 12.809 ( 0.000 0.000 0.000) 0.000 12.864 ( 0.000 0.000 0.000) 0.000 13.034 ( 0.000 0.000 0.000) 0.000 13.217 ( 0.000 0.000 0.000) 0.000 13.338 ( 0.000 0.000 0.000) 0.000 13.423 ( 0.000 0.000 0.000) 0.000 13.494 ( 0.000 0.000 0.000) 0.000 13.534 ( 0.000 0.000 0.000) 0.000 13.605 ( 0.000 0.000 0.000) 0.000 14.068 ( 0.000 0.000 0.000) 0.000 14.142 ( 0.000 0.000 0.000) 0.000 14.153 ( 0.000 0.000 0.000) 0.000 14.382 ( 0.000 0.000 0.000) 0.000 14.519 ( 0.000 0.000 0.000) 0.000 14.812 ( 0.000 0.000 0.000) 0.000 14.859 ( 0.000 0.000 0.000) 0.000 14.992 ( 0.000 0.000 0.000) 0.000 15.194 ( 0.000 0.000 0.000) 0.000 15.221 ( 0.000 0.000 0.000) 0.000 15.319 ( 0.000 0.000 0.000) 0.000 15.850 ( 0.000 0.000 0.000) 0.000 16.041 ( 0.000 0.000 0.000) 0.000 16.253 ( 0.000 0.000 0.000) 0.000 16.327 ( 0.000 0.000 0.000) 0.000 16.442 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 16.902 ( 0.000 0.000 0.000) 0.000 18.355 ( 0.000 0.000 0.000) 0.000 23.896 ( 0.000 0.000 0.000) 0.000 24.122 ( 0.000 0.000 0.000) 0.000 24.289 ( 0.000 0.000 0.000) 0.000 24.320 ( 0.000 0.000 0.000) 0.000 25.378 ( 0.000 0.000 0.000) 0.000 25.444 ( 0.000 0.000 0.000) 0.000 25.784 ( 0.000 0.000 0.000) 0.000 26.119 ( 0.000 0.000 0.000) 0.000 26.125 ( 0.000 0.000 0.000) 0.000 26.206 ( 0.000 0.000 0.000) 0.000 26.516 ( 0.000 0.000 0.000) 0.000 26.873 ( 0.000 0.000 0.000) 0.000 26.879 ( 0.000 0.000 0.000) 0.000 27.003 ( 0.000 0.000 0.000) 0.000 27.505 ( 0.000 0.000 0.000) 0.000 28.310 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.547 ( 28.554 0.000 0.000) 28.554 0.587 ( 30.360 0.000 0.000) 30.360 0.925 ( 43.639 0.000 0.000) 43.639 1.787 ( -10.246 0.000 0.000) 10.246 1.940 ( -6.375 0.000 0.000) 6.375 2.137 ( 6.002 0.000 0.000) 6.002 2.273 ( -1.950 0.000 0.000) 1.950 2.365 ( -1.153 0.000 0.000) 1.153 2.552 ( 3.229 0.000 0.000) 3.229 2.597 ( -0.404 0.000 0.000) 0.404 3.075 ( 1.071 0.000 0.000) 1.071 3.142 ( -0.658 0.000 0.000) 0.658 4.117 ( 4.753 0.000 0.000) 4.753 4.577 ( -0.284 0.000 0.000) 0.284 4.742 ( -8.453 0.000 0.000) 8.453 4.767 ( -7.081 0.000 0.000) 7.081 4.962 ( 7.698 0.000 0.000) 7.698 4.966 ( 1.633 0.000 0.000) 1.633 5.159 ( -3.892 0.000 0.000) 3.892 5.702 ( -9.223 0.000 0.000) 9.223 5.901 ( -2.484 0.000 0.000) 2.484 6.201 ( -13.472 0.000 0.000) 13.472 6.227 ( 15.943 0.000 0.000) 15.943 6.941 ( 10.494 0.000 0.000) 10.494 7.271 ( 10.369 0.000 0.000) 10.369 7.378 ( -16.835 0.000 0.000) 16.835 7.612 ( -5.742 0.000 0.000) 5.742 7.928 ( -3.227 0.000 0.000) 3.227 9.007 ( 4.197 0.000 0.000) 4.197 9.180 ( -0.062 0.000 0.000) 0.062 9.248 ( 2.551 0.000 0.000) 2.551 9.352 ( 1.904 0.000 0.000) 1.904 9.584 ( -2.719 0.000 0.000) 2.719 9.674 ( -12.906 0.000 0.000) 12.906 10.463 ( 16.358 0.000 0.000) 16.358 10.993 ( 4.919 0.000 0.000) 4.919 11.091 ( -1.272 0.000 0.000) 1.272 11.340 ( -6.960 0.000 0.000) 6.960 11.418 ( 12.218 0.000 0.000) 12.218 11.525 ( 0.116 0.000 0.000) 0.116 11.627 ( 5.605 0.000 0.000) 5.605 11.768 ( -5.905 0.000 0.000) 5.905 11.811 ( -1.368 0.000 0.000) 1.368 12.049 ( 0.829 0.000 0.000) 0.829 12.281 ( -5.140 0.000 0.000) 5.140 12.288 ( -4.582 0.000 0.000) 4.582 12.311 ( -0.042 0.000 0.000) 0.042 12.379 ( 5.359 0.000 0.000) 5.359 12.427 ( -4.721 0.000 0.000) 4.721 12.475 ( 0.244 0.000 0.000) 0.244 12.635 ( -5.993 0.000 0.000) 5.993 12.696 ( -4.647 0.000 0.000) 4.647 12.915 ( 8.789 0.000 0.000) 8.789 13.072 ( -0.108 0.000 0.000) 0.108 13.080 ( 3.999 0.000 0.000) 3.999 13.216 ( -0.223 0.000 0.000) 0.223 13.242 ( -5.608 0.000 0.000) 5.608 13.382 ( -4.225 0.000 0.000) 4.225 13.520 ( -1.314 0.000 0.000) 1.314 13.568 ( -3.353 0.000 0.000) 3.353 13.680 ( 14.964 0.000 0.000) 14.964 14.079 ( 1.140 0.000 0.000) 1.140 14.140 ( 0.420 0.000 0.000) 0.420 14.150 ( -0.433 0.000 0.000) 0.433 14.454 ( -5.832 0.000 0.000) 5.832 14.601 ( -10.650 0.000 0.000) 10.650 14.850 ( 3.131 0.000 0.000) 3.131 14.901 ( 2.146 0.000 0.000) 2.146 15.252 ( 3.235 0.000 0.000) 3.235 15.281 ( 7.725 0.000 0.000) 7.725 15.414 ( 9.519 0.000 0.000) 9.519 15.754 ( -4.979 0.000 0.000) 4.979 15.822 ( -2.964 0.000 0.000) 2.964 16.120 ( -10.299 0.000 0.000) 10.299 16.395 ( 3.541 0.000 0.000) 3.541 16.446 ( 0.308 0.000 0.000) 0.308 16.860 ( -1.449 0.000 0.000) 1.449 16.866 ( -2.925 0.000 0.000) 2.925 17.909 ( 7.972 0.000 0.000) 7.972 18.323 ( -3.388 0.000 0.000) 3.388 23.933 ( 3.850 0.000 0.000) 3.850 24.244 ( 1.010 0.000 0.000) 1.010 24.244 ( -4.143 0.000 0.000) 4.143 24.320 ( -0.488 0.000 0.000) 0.488 25.383 ( 0.548 0.000 0.000) 0.548 25.436 ( -0.775 0.000 0.000) 0.775 26.132 ( 0.722 0.000 0.000) 0.722 26.140 ( 2.087 0.000 0.000) 2.087 26.197 ( -0.887 0.000 0.000) 0.887 26.331 ( -3.303 0.000 0.000) 3.303 26.560 ( 4.031 0.000 0.000) 4.031 26.837 ( -3.577 0.000 0.000) 3.577 26.892 ( 1.310 0.000 0.000) 1.310 26.992 ( -1.149 0.000 0.000) 1.149 28.353 ( 4.336 0.000 0.000) 4.336 28.663 ( -3.390 0.000 0.000) 3.390 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 24.311 0.000 0.000) 24.311 1.114 ( 25.557 0.000 0.000) 25.557 1.371 ( -3.714 0.000 0.000) 3.714 1.524 ( -18.075 0.000 0.000) 18.075 1.950 ( 13.840 0.000 0.000) 13.840 2.195 ( -7.933 0.000 0.000) 7.933 2.248 ( 5.362 0.000 0.000) 5.362 2.327 ( -3.078 0.000 0.000) 3.078 2.595 ( 0.859 0.000 0.000) 0.859 2.595 ( 0.237 0.000 0.000) 0.237 3.100 ( 1.455 0.000 0.000) 1.455 3.125 ( -1.158 0.000 0.000) 1.158 4.258 ( 10.861 0.000 0.000) 10.861 4.513 ( -14.872 0.000 0.000) 14.872 4.583 ( 1.305 0.000 0.000) 1.305 4.642 ( -5.268 0.000 0.000) 5.268 5.011 ( 3.174 0.000 0.000) 3.174 5.081 ( -4.154 0.000 0.000) 4.154 5.175 ( 14.552 0.000 0.000) 14.552 5.467 ( -15.291 0.000 0.000) 15.291 5.876 ( 0.796 0.000 0.000) 0.796 5.965 ( -9.357 0.000 0.000) 9.357 6.588 ( 21.588 0.000 0.000) 21.588 7.003 ( -22.092 0.000 0.000) 22.092 7.185 ( 14.433 0.000 0.000) 14.433 7.441 ( -12.143 0.000 0.000) 12.143 7.521 ( 15.114 0.000 0.000) 15.114 7.785 ( -11.809 0.000 0.000) 11.809 9.095 ( 4.539 0.000 0.000) 4.539 9.160 ( -2.247 0.000 0.000) 2.247 9.322 ( 5.501 0.000 0.000) 5.501 9.412 ( 4.501 0.000 0.000) 4.501 9.460 ( -9.468 0.000 0.000) 9.468 9.507 ( -5.142 0.000 0.000) 5.142 10.765 ( 15.006 0.000 0.000) 15.006 10.998 ( -9.293 0.000 0.000) 9.293 11.110 ( 6.908 0.000 0.000) 6.908 11.228 ( -5.501 0.000 0.000) 5.501 11.541 ( 2.759 0.000 0.000) 2.759 11.637 ( -6.930 0.000 0.000) 6.930 11.726 ( 4.468 0.000 0.000) 4.468 11.728 ( 19.580 0.000 0.000) 19.580 11.786 ( -1.997 0.000 0.000) 1.997 12.082 ( -16.222 0.000 0.000) 16.222 12.087 ( 3.529 0.000 0.000) 3.529 12.181 ( -6.116 0.000 0.000) 6.116 12.320 ( 1.008 0.000 0.000) 1.008 12.354 ( -2.795 0.000 0.000) 2.795 12.488 ( 1.236 0.000 0.000) 1.236 12.489 ( 6.032 0.000 0.000) 6.032 12.531 ( -3.894 0.000 0.000) 3.894 12.598 ( -5.598 0.000 0.000) 5.598 13.063 ( 4.959 0.000 0.000) 4.959 13.078 ( 0.740 0.000 0.000) 0.740 13.155 ( 3.569 0.000 0.000) 3.569 13.181 ( 0.654 0.000 0.000) 0.654 13.203 ( -1.453 0.000 0.000) 1.453 13.276 ( -6.663 0.000 0.000) 6.663 13.498 ( -0.650 0.000 0.000) 0.650 13.510 ( -2.178 0.000 0.000) 2.178 13.986 ( 16.393 0.000 0.000) 16.393 14.106 ( 1.591 0.000 0.000) 1.591 14.134 ( -1.245 0.000 0.000) 1.245 14.162 ( 0.253 0.000 0.000) 0.253 14.340 ( -5.237 0.000 0.000) 5.237 14.376 ( -11.492 0.000 0.000) 11.492 14.901 ( 2.003 0.000 0.000) 2.003 14.921 ( -0.032 0.000 0.000) 0.032 15.336 ( 5.327 0.000 0.000) 5.327 15.395 ( 1.633 0.000 0.000) 1.633 15.640 ( 13.726 0.000 0.000) 13.726 15.679 ( -0.566 0.000 0.000) 0.566 15.743 ( -5.138 0.000 0.000) 5.138 15.897 ( -13.267 0.000 0.000) 13.267 16.440 ( 1.307 0.000 0.000) 1.307 16.450 ( -0.002 0.000 0.000) 0.002 16.826 ( -0.939 0.000 0.000) 0.939 16.831 ( -1.285 0.000 0.000) 1.285 18.077 ( 9.153 0.000 0.000) 9.153 18.228 ( -6.735 0.000 0.000) 6.735 24.029 ( 6.098 0.000 0.000) 6.098 24.147 ( -6.070 0.000 0.000) 6.070 24.269 ( 1.644 0.000 0.000) 1.644 24.300 ( -1.531 0.000 0.000) 1.531 25.398 ( 0.975 0.000 0.000) 0.975 25.418 ( -1.112 0.000 0.000) 1.112 26.151 ( 1.235 0.000 0.000) 1.235 26.175 ( -1.335 0.000 0.000) 1.335 26.193 ( 3.442 0.000 0.000) 3.442 26.262 ( -3.865 0.000 0.000) 3.865 26.649 ( 5.312 0.000 0.000) 5.312 26.751 ( -5.335 0.000 0.000) 5.335 26.924 ( 2.021 0.000 0.000) 2.021 26.962 ( -1.923 0.000 0.000) 1.923 28.457 ( 6.377 0.000 0.000) 6.377 28.575 ( -5.821 0.000 0.000) 5.821 ======================= Grid point 5 (4/90) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.608 ( 0.000 31.254 0.000) 31.254 0.623 ( 0.000 32.005 0.000) 32.005 1.300 ( 0.000 62.907 0.000) 62.907 1.883 ( 0.000 -1.516 0.000) 1.516 2.072 ( 0.000 6.789 0.000) 6.789 2.092 ( 0.000 1.132 0.000) 1.132 2.531 ( 0.000 22.751 0.000) 22.751 2.595 ( 0.000 18.547 0.000) 18.547 2.621 ( 0.000 2.697 0.000) 2.697 2.663 ( 0.000 12.789 0.000) 12.789 3.083 ( 0.000 4.049 0.000) 4.049 3.174 ( 0.000 4.040 0.000) 4.040 3.761 ( 0.000 2.048 0.000) 2.048 4.788 ( 0.000 -2.403 0.000) 2.403 4.799 ( 0.000 -7.663 0.000) 7.663 4.895 ( 0.000 3.988 0.000) 3.988 4.988 ( 0.000 8.426 0.000) 8.426 5.126 ( 0.000 17.463 0.000) 17.463 5.280 ( 0.000 6.903 0.000) 6.903 5.684 ( 0.000 -6.839 0.000) 6.839 5.817 ( 0.000 4.603 0.000) 4.603 6.104 ( 0.000 1.058 0.000) 1.058 6.452 ( 0.000 9.579 0.000) 9.579 6.820 ( 0.000 -1.442 0.000) 1.442 7.145 ( 0.000 -1.680 0.000) 1.680 7.552 ( 0.000 -2.078 0.000) 2.078 7.695 ( 0.000 4.184 0.000) 4.184 7.805 ( 0.000 -13.680 0.000) 13.680 8.898 ( 0.000 -3.960 0.000) 3.960 9.160 ( 0.000 -1.752 0.000) 1.752 9.223 ( 0.000 -3.264 0.000) 3.264 9.382 ( 0.000 12.976 0.000) 12.976 9.555 ( 0.000 -5.376 0.000) 5.376 9.828 ( 0.000 -2.324 0.000) 2.324 10.171 ( 0.000 -9.251 0.000) 9.251 11.049 ( 0.000 -5.001 0.000) 5.001 11.109 ( 0.000 4.642 0.000) 4.642 11.250 ( 0.000 -4.382 0.000) 4.382 11.409 ( 0.000 -6.113 0.000) 6.113 11.537 ( 0.000 -2.361 0.000) 2.361 11.540 ( 0.000 5.429 0.000) 5.429 11.759 ( 0.000 -4.922 0.000) 4.922 11.895 ( 0.000 -7.631 0.000) 7.631 12.011 ( 0.000 -3.085 0.000) 3.085 12.229 ( 0.000 -3.779 0.000) 3.779 12.343 ( 0.000 1.834 0.000) 1.834 12.369 ( 0.000 3.265 0.000) 3.265 12.449 ( 0.000 -2.610 0.000) 2.610 12.483 ( 0.000 -1.456 0.000) 1.456 12.613 ( 0.000 -8.360 0.000) 8.360 12.667 ( 0.000 -2.531 0.000) 2.531 12.841 ( 0.000 -0.207 0.000) 0.207 12.851 ( 0.000 -1.548 0.000) 1.548 12.873 ( 0.000 3.823 0.000) 3.823 12.948 ( 0.000 -7.644 0.000) 7.644 13.216 ( 0.000 -0.087 0.000) 0.087 13.379 ( 0.000 3.273 0.000) 3.273 13.434 ( 0.000 1.006 0.000) 1.006 13.471 ( 0.000 -2.592 0.000) 2.592 13.582 ( 0.000 5.038 0.000) 5.038 13.591 ( 0.000 -1.176 0.000) 1.176 14.083 ( 0.000 1.272 0.000) 1.272 14.181 ( 0.000 3.453 0.000) 3.453 14.413 ( 0.000 3.199 0.000) 3.199 14.560 ( 0.000 3.548 0.000) 3.548 14.636 ( 0.000 -1.761 0.000) 1.761 14.762 ( 0.000 -4.669 0.000) 4.669 14.862 ( 0.000 -0.071 0.000) 0.071 15.007 ( 0.000 1.581 0.000) 1.581 15.210 ( 0.000 1.541 0.000) 1.541 15.320 ( 0.000 9.824 0.000) 9.824 15.862 ( 0.000 1.498 0.000) 1.498 16.033 ( 0.000 -0.273 0.000) 0.273 16.210 ( 0.000 -4.202 0.000) 4.202 16.401 ( 0.000 6.282 0.000) 6.282 16.502 ( 0.000 5.493 0.000) 5.493 16.593 ( 0.000 -4.904 0.000) 4.904 16.868 ( 0.000 -0.160 0.000) 0.160 16.924 ( 0.000 1.678 0.000) 1.678 18.253 ( 0.000 -10.010 0.000) 10.010 23.905 ( 0.000 0.925 0.000) 0.925 24.113 ( 0.000 -0.899 0.000) 0.899 24.290 ( 0.000 0.121 0.000) 0.121 24.321 ( 0.000 0.133 0.000) 0.133 25.388 ( 0.000 1.021 0.000) 1.021 25.436 ( 0.000 -0.464 0.000) 0.464 25.760 ( 0.000 -2.441 0.000) 2.441 26.014 ( 0.000 -7.535 0.000) 7.535 26.282 ( 0.000 4.570 0.000) 4.570 26.504 ( 0.000 -1.089 0.000) 1.089 26.781 ( 0.000 -4.270 0.000) 4.270 26.895 ( 0.000 -8.699 0.000) 8.699 27.092 ( 0.000 15.842 0.000) 15.842 27.666 ( 0.000 14.042 0.000) 14.042 28.319 ( 0.000 0.743 0.000) 0.743 29.039 ( 0.000 -2.216 0.000) 2.216 ======================= Grid point 6 (5/90) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.744 ( 15.239 19.298 0.000) 24.589 0.818 ( 17.742 23.348 0.000) 29.325 1.576 ( 19.935 44.759 0.000) 48.998 1.754 ( -10.320 -2.504 0.000) 10.619 2.035 ( -1.352 11.544 0.000) 11.623 2.210 ( 8.593 2.751 0.000) 9.022 2.519 ( -1.233 22.662 0.000) 22.695 2.537 ( -3.212 5.352 0.000) 6.242 2.641 ( 0.402 14.509 0.000) 14.514 2.671 ( 0.554 12.021 0.000) 12.034 3.095 ( 1.157 4.218 0.000) 4.374 3.167 ( -0.759 4.173 0.000) 4.241 3.947 ( 13.554 -5.379 0.000) 14.583 4.668 ( -10.258 -3.002 0.000) 10.688 4.763 ( -3.441 3.393 0.000) 4.833 4.901 ( -1.552 8.418 0.000) 8.560 4.955 ( 3.000 4.262 0.000) 5.212 5.132 ( 0.702 16.750 0.000) 16.764 5.229 ( -3.989 6.509 0.000) 7.634 5.614 ( -8.153 -6.436 0.000) 10.387 5.873 ( 2.014 0.803 0.000) 2.168 6.160 ( -1.384 -0.555 0.000) 1.491 6.395 ( 2.110 11.048 0.000) 11.248 6.895 ( 7.865 -3.263 0.000) 8.515 7.222 ( 7.917 -4.180 0.000) 8.953 7.386 ( -13.781 0.034 0.000) 13.781 7.643 ( -5.641 3.709 0.000) 6.751 7.815 ( -1.973 -11.553 0.000) 11.720 8.942 ( 4.277 -4.155 0.000) 5.963 9.158 ( -0.443 -2.051 0.000) 2.098 9.263 ( 2.326 -6.065 0.000) 6.496 9.368 ( -1.345 8.125 0.000) 8.235 9.558 ( -0.005 -1.302 0.000) 1.302 9.675 ( -9.529 -0.481 0.000) 9.541 10.379 ( 16.021 -8.610 0.000) 18.188 11.030 ( -2.640 -6.407 0.000) 6.930 11.076 ( -0.779 5.116 0.000) 5.175 11.267 ( -2.038 -5.603 0.000) 5.962 11.394 ( 3.139 -4.397 0.000) 5.403 11.539 ( 3.661 0.682 0.000) 3.724 11.647 ( 7.351 3.009 0.000) 7.943 11.755 ( -2.156 -3.049 0.000) 3.734 11.777 ( -7.429 -5.840 0.000) 9.449 12.018 ( 1.000 -3.017 0.000) 3.178 12.267 ( 1.984 -3.601 0.000) 4.111 12.311 ( -3.639 2.276 0.000) 4.293 12.377 ( -3.519 3.127 0.000) 4.707 12.398 ( -4.141 -3.282 0.000) 5.284 12.465 ( -8.646 6.821 0.000) 11.013 12.469 ( -0.295 -0.551 0.000) 0.625 12.625 ( -0.829 -5.473 0.000) 5.536 12.673 ( -6.795 4.210 0.000) 7.994 12.903 ( 6.546 -2.036 0.000) 6.856 12.968 ( 1.508 -8.387 0.000) 8.522 12.975 ( 1.247 -6.825 0.000) 6.938 13.210 ( -2.080 -0.882 0.000) 2.259 13.325 ( -2.996 5.794 0.000) 6.523 13.404 ( -2.997 2.107 0.000) 3.663 13.490 ( 1.011 -2.169 0.000) 2.393 13.606 ( -0.600 1.146 0.000) 1.294 13.716 ( 12.388 3.074 0.000) 12.764 14.098 ( 1.606 1.558 0.000) 2.238 14.164 ( -4.514 4.679 0.000) 6.501 14.237 ( -2.442 5.177 0.000) 5.724 14.493 ( -5.852 3.382 0.000) 6.759 14.599 ( -9.797 -0.488 0.000) 9.810 14.802 ( 3.085 -4.491 0.000) 5.449 14.817 ( 2.943 -6.227 0.000) 6.887 15.231 ( 11.601 -2.863 0.000) 11.950 15.345 ( 2.633 9.287 0.000) 9.653 15.367 ( 11.082 0.892 0.000) 11.117 15.826 ( -3.901 0.935 0.000) 4.011 15.909 ( -6.644 8.119 0.000) 10.491 16.128 ( -7.567 -0.819 0.000) 7.611 16.416 ( -0.230 -1.229 0.000) 1.250 16.424 ( 1.535 3.450 0.000) 3.777 16.855 ( -1.251 -0.139 0.000) 1.259 16.879 ( -2.176 0.225 0.000) 2.188 17.300 ( 37.121 -28.026 0.000) 46.512 18.210 ( -4.671 -10.959 0.000) 11.913 23.942 ( 3.803 0.888 0.000) 3.905 24.177 ( 4.643 -2.984 0.000) 5.520 24.247 ( -4.000 0.347 0.000) 4.015 24.320 ( -0.635 -0.085 0.000) 0.641 25.392 ( 0.405 0.951 0.000) 1.034 25.431 ( -0.540 -0.263 0.000) 0.601 25.812 ( 4.404 -7.094 0.000) 8.350 25.999 ( -1.595 -8.385 0.000) 8.535 26.311 ( 3.132 5.414 0.000) 6.254 26.538 ( 3.352 -1.293 0.000) 3.593 26.769 ( -1.544 -3.971 0.000) 4.260 26.793 ( -10.506 -2.166 0.000) 10.727 27.090 ( 0.076 16.421 0.000) 16.421 27.383 ( -17.650 32.092 0.000) 36.625 28.364 ( 4.535 0.869 0.000) 4.618 28.808 ( -12.952 7.487 0.000) 14.960 ======================= Grid point 7 (6/90) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 17.681 3.651 0.000) 18.054 1.161 ( 14.513 11.223 0.000) 18.346 1.549 ( -9.271 2.442 0.000) 9.587 1.629 ( -11.276 15.319 0.000) 19.022 2.230 ( 16.497 26.281 0.000) 31.030 2.346 ( 4.606 5.252 0.000) 6.986 2.480 ( -3.198 22.471 0.000) 22.697 2.481 ( -2.963 5.356 0.000) 6.121 2.644 ( 0.378 13.713 0.000) 13.718 2.665 ( -1.366 11.526 0.000) 11.607 3.121 ( 1.496 4.282 0.000) 4.536 3.147 ( -1.269 4.148 0.000) 4.337 4.191 ( 13.208 -3.523 0.000) 13.670 4.445 ( -13.314 -2.879 0.000) 13.622 4.744 ( 1.935 11.611 0.000) 11.771 4.824 ( -5.641 13.555 0.000) 14.682 5.099 ( 9.051 -1.929 0.000) 9.254 5.163 ( 4.825 11.462 0.000) 12.436 5.168 ( -2.442 7.536 0.000) 7.922 5.393 ( -14.336 -4.968 0.000) 15.172 5.896 ( 2.087 2.441 0.000) 3.211 5.997 ( -9.202 3.358 0.000) 9.796 6.636 ( 17.878 3.586 0.000) 18.235 6.949 ( -11.130 -5.020 0.000) 12.210 7.230 ( 5.468 4.371 0.000) 7.000 7.371 ( 0.861 -5.688 0.000) 5.753 7.534 ( 0.630 1.021 0.000) 1.200 7.700 ( -9.840 -8.547 0.000) 13.034 9.035 ( 5.159 -4.606 0.000) 6.916 9.121 ( -3.645 -3.891 0.000) 5.332 9.299 ( 1.896 -6.084 0.000) 6.372 9.336 ( -1.989 -0.724 0.000) 2.117 9.551 ( -0.490 4.957 0.000) 4.981 9.563 ( -2.593 5.140 0.000) 5.757 10.678 ( 15.050 -8.745 0.000) 17.406 10.916 ( -9.866 -8.300 0.000) 12.893 11.109 ( 3.718 -0.097 0.000) 3.720 11.190 ( -4.580 -3.619 0.000) 5.837 11.482 ( 5.154 -5.187 0.000) 7.312 11.605 ( -7.989 -3.916 0.000) 8.897 11.674 ( 7.075 -2.461 0.000) 7.491 11.746 ( -1.649 -3.870 0.000) 4.207 11.831 ( 14.146 6.166 0.000) 15.432 12.069 ( 5.047 -1.698 0.000) 5.325 12.132 ( -15.333 4.071 0.000) 15.864 12.201 ( -8.067 0.551 0.000) 8.086 12.309 ( 1.034 -0.043 0.000) 1.035 12.338 ( -2.194 -1.687 0.000) 2.768 12.465 ( 0.991 -0.656 0.000) 1.189 12.467 ( 0.094 -1.503 0.000) 1.506 12.575 ( -2.002 2.745 0.000) 3.398 12.590 ( -2.172 -0.818 0.000) 2.320 12.985 ( 0.285 -7.700 0.000) 7.705 12.986 ( 0.361 -8.826 0.000) 8.833 13.042 ( 7.125 -3.866 0.000) 8.106 13.149 ( -4.337 -3.678 0.000) 5.687 13.298 ( 0.223 5.940 0.000) 5.945 13.336 ( -3.540 4.280 0.000) 5.554 13.518 ( 2.118 1.787 0.000) 2.771 13.567 ( -2.849 3.980 0.000) 4.894 13.970 ( 12.407 -0.783 0.000) 12.432 14.095 ( -2.865 -0.741 0.000) 2.959 14.151 ( 4.929 3.083 0.000) 5.814 14.250 ( 0.552 5.648 0.000) 5.675 14.379 ( -5.580 3.593 0.000) 6.637 14.385 ( -10.586 0.611 0.000) 10.603 14.849 ( 1.619 -4.948 0.000) 5.206 14.857 ( 0.848 -5.815 0.000) 5.876 15.412 ( 3.981 7.492 0.000) 8.484 15.428 ( 5.812 2.465 0.000) 6.313 15.533 ( 8.451 -1.582 0.000) 8.598 15.711 ( -8.537 -1.045 0.000) 8.601 15.850 ( 1.718 8.298 0.000) 8.473 15.965 ( -8.865 3.825 0.000) 9.655 16.427 ( 0.957 -1.194 0.000) 1.530 16.439 ( -0.043 0.711 0.000) 0.713 16.833 ( -0.714 0.216 0.000) 0.746 16.839 ( -1.427 0.854 0.000) 1.663 17.806 ( 19.046 -21.459 0.000) 28.692 18.072 ( -10.333 -14.292 0.000) 17.636 24.037 ( 6.026 0.777 0.000) 6.076 24.152 ( -5.956 0.597 0.000) 5.986 24.249 ( 3.041 -1.657 0.000) 3.463 24.295 ( -1.925 -0.523 0.000) 1.995 25.403 ( 0.739 0.656 0.000) 0.988 25.418 ( -0.810 0.197 0.000) 0.834 25.892 ( 3.928 -10.097 0.000) 10.834 25.956 ( -2.907 -9.788 0.000) 10.210 26.401 ( 6.641 7.081 0.000) 9.708 26.556 ( -8.492 5.958 0.000) 10.374 26.638 ( 2.564 -0.519 0.000) 2.616 26.717 ( -3.946 -2.830 0.000) 4.856 27.110 ( 2.250 18.045 0.000) 18.184 27.181 ( -5.931 23.317 0.000) 24.059 28.476 ( 7.157 1.546 0.000) 7.322 28.621 ( -8.368 3.621 0.000) 9.118 ======================= Grid point 10 (7/90) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 0.000 29.289 0.000) 29.289 1.224 ( 0.000 29.697 0.000) 29.697 1.858 ( 0.000 -0.278 0.000) 0.278 2.074 ( 0.000 -2.745 0.000) 2.745 2.151 ( 0.000 17.858 0.000) 17.858 2.290 ( 0.000 11.702 0.000) 11.702 2.762 ( 0.000 -3.937 0.000) 3.937 2.838 ( 0.000 3.106 0.000) 3.106 2.898 ( 0.000 35.180 0.000) 35.180 3.048 ( 0.000 27.625 0.000) 27.625 3.354 ( 0.000 21.453 0.000) 21.453 3.384 ( 0.000 16.327 0.000) 16.327 3.861 ( 0.000 9.846 0.000) 9.846 4.596 ( 0.000 -12.804 0.000) 12.804 4.753 ( 0.000 -0.857 0.000) 0.857 4.937 ( 0.000 -0.841 0.000) 0.841 5.194 ( 0.000 12.172 0.000) 12.172 5.435 ( 0.000 8.585 0.000) 8.585 5.577 ( 0.000 27.329 0.000) 27.329 5.651 ( 0.000 4.905 0.000) 4.905 5.952 ( 0.000 9.486 0.000) 9.486 6.044 ( 0.000 -6.812 0.000) 6.812 6.603 ( 0.000 1.393 0.000) 1.393 6.788 ( 0.000 -1.695 0.000) 1.695 7.197 ( 0.000 10.572 0.000) 10.572 7.434 ( 0.000 -23.700 0.000) 23.700 7.470 ( 0.000 -7.099 0.000) 7.099 7.833 ( 0.000 9.291 0.000) 9.291 8.854 ( 0.000 -0.317 0.000) 0.317 9.114 ( 0.000 -2.785 0.000) 2.785 9.144 ( 0.000 -4.564 0.000) 4.564 9.409 ( 0.000 -9.338 0.000) 9.338 9.654 ( 0.000 14.260 0.000) 14.260 9.761 ( 0.000 -4.445 0.000) 4.445 9.945 ( 0.000 -12.880 0.000) 12.880 10.877 ( 0.000 -13.164 0.000) 13.164 11.179 ( 0.000 -2.238 0.000) 2.238 11.219 ( 0.000 5.743 0.000) 5.743 11.251 ( 0.000 -8.853 0.000) 8.853 11.493 ( 0.000 -2.231 0.000) 2.231 11.620 ( 0.000 -9.011 0.000) 9.011 11.627 ( 0.000 1.741 0.000) 1.741 11.739 ( 0.000 -6.656 0.000) 6.656 11.948 ( 0.000 -2.109 0.000) 2.109 12.148 ( 0.000 -4.682 0.000) 4.682 12.341 ( 0.000 -7.619 0.000) 7.619 12.379 ( 0.000 1.858 0.000) 1.858 12.422 ( 0.000 1.911 0.000) 1.911 12.440 ( 0.000 -2.744 0.000) 2.744 12.504 ( 0.000 -3.404 0.000) 3.404 12.625 ( 0.000 -1.407 0.000) 1.407 12.796 ( 0.000 -4.038 0.000) 4.038 12.800 ( 0.000 -6.367 0.000) 6.367 12.804 ( 0.000 -2.976 0.000) 2.976 12.970 ( 0.000 5.917 0.000) 5.917 13.214 ( 0.000 -0.166 0.000) 0.166 13.423 ( 0.000 -1.903 0.000) 1.903 13.428 ( 0.000 1.342 0.000) 1.342 13.457 ( 0.000 1.397 0.000) 1.397 13.571 ( 0.000 -0.812 0.000) 0.812 13.701 ( 0.000 6.820 0.000) 6.820 14.098 ( 0.000 -0.288 0.000) 0.288 14.255 ( 0.000 4.035 0.000) 4.035 14.497 ( 0.000 5.071 0.000) 5.071 14.589 ( 0.000 -3.070 0.000) 3.070 14.624 ( 0.000 2.477 0.000) 2.477 14.664 ( 0.000 -4.487 0.000) 4.487 14.842 ( 0.000 -2.239 0.000) 2.239 15.058 ( 0.000 3.722 0.000) 3.722 15.246 ( 0.000 1.866 0.000) 1.866 15.573 ( 0.000 15.448 0.000) 15.448 15.906 ( 0.000 2.649 0.000) 2.649 16.051 ( 0.000 2.390 0.000) 2.390 16.112 ( 0.000 -5.264 0.000) 5.264 16.481 ( 0.000 -6.345 0.000) 6.345 16.486 ( 0.000 0.388 0.000) 0.388 16.627 ( 0.000 6.909 0.000) 6.909 16.916 ( 0.000 6.486 0.000) 6.486 16.945 ( 0.000 0.139 0.000) 0.139 18.002 ( 0.000 -15.032 0.000) 15.032 23.931 ( 0.000 1.695 0.000) 1.695 24.089 ( 0.000 -1.583 0.000) 1.583 24.295 ( 0.000 0.435 0.000) 0.435 24.325 ( 0.000 0.219 0.000) 0.219 25.418 ( 0.000 2.016 0.000) 2.016 25.441 ( 0.000 1.220 0.000) 1.220 25.696 ( 0.000 -4.004 0.000) 4.004 25.860 ( 0.000 -8.187 0.000) 8.187 26.358 ( 0.000 3.440 0.000) 3.440 26.481 ( 0.000 -1.113 0.000) 1.113 26.691 ( 0.000 -5.111 0.000) 5.111 26.726 ( 0.000 -8.235 0.000) 8.235 27.454 ( 0.000 20.246 0.000) 20.246 27.979 ( 0.000 17.394 0.000) 17.394 28.325 ( 0.000 -0.684 0.000) 0.684 28.969 ( 0.000 -5.266 0.000) 5.266 ======================= Grid point 11 (8/90) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( 0.952 24.956 0.000) 24.975 1.319 ( 8.953 26.763 0.000) 28.221 1.723 ( -9.651 -0.174 0.000) 9.652 2.097 ( -6.585 14.301 0.000) 15.745 2.174 ( 6.534 -4.896 0.000) 8.165 2.315 ( 1.535 3.422 0.000) 3.750 2.769 ( 0.734 -3.619 0.000) 3.693 2.828 ( -0.126 6.289 0.000) 6.290 2.937 ( 3.991 36.168 0.000) 36.387 3.049 ( 0.288 28.423 0.000) 28.424 3.373 ( 1.690 21.831 0.000) 21.896 3.404 ( 1.296 18.729 0.000) 18.774 3.954 ( 9.433 5.908 0.000) 11.130 4.640 ( -9.494 0.197 0.000) 9.496 4.640 ( 5.177 -10.941 0.000) 12.104 4.997 ( 3.304 -0.921 0.000) 3.430 5.168 ( -1.446 13.895 0.000) 13.970 5.379 ( -4.784 8.982 0.000) 10.177 5.569 ( -1.088 26.607 0.000) 26.629 5.601 ( -5.106 7.642 0.000) 9.191 5.956 ( 0.287 7.260 0.000) 7.266 6.109 ( 3.513 -5.694 0.000) 6.691 6.583 ( -0.204 5.215 0.000) 5.219 6.833 ( 3.821 -3.038 0.000) 4.882 7.187 ( 0.637 3.907 0.000) 3.958 7.338 ( -5.249 -6.997 0.000) 8.747 7.512 ( 0.143 -17.864 0.000) 17.865 7.762 ( -7.440 7.849 0.000) 10.815 8.889 ( 3.268 -1.071 0.000) 3.439 9.101 ( -2.382 -3.788 0.000) 4.475 9.151 ( 1.276 -5.217 0.000) 5.371 9.365 ( -4.352 -7.036 0.000) 8.273 9.652 ( -4.326 -1.623 0.000) 4.620 9.673 ( 1.331 11.195 0.000) 11.274 10.158 ( 15.475 -13.362 0.000) 20.446 10.836 ( -4.737 -13.693 0.000) 14.489 11.152 ( -2.580 -5.932 0.000) 6.469 11.173 ( -3.884 4.695 0.000) 6.093 11.282 ( 3.262 -5.771 0.000) 6.629 11.531 ( 4.321 -1.059 0.000) 4.449 11.597 ( -4.086 -10.776 0.000) 11.524 11.690 ( -2.517 -3.052 0.000) 3.956 11.706 ( 7.823 0.508 0.000) 7.839 11.962 ( 2.097 -1.017 0.000) 2.331 12.174 ( 1.110 -5.959 0.000) 6.061 12.309 ( -1.756 -5.142 0.000) 5.433 12.346 ( -3.348 1.474 0.000) 3.658 12.423 ( -1.939 1.436 0.000) 2.413 12.451 ( 0.169 -1.410 0.000) 1.420 12.528 ( 1.950 -4.430 0.000) 4.840 12.543 ( -6.182 2.406 0.000) 6.634 12.751 ( -6.050 0.929 0.000) 6.121 12.800 ( 1.081 -6.269 0.000) 6.362 12.857 ( 4.350 -4.052 0.000) 5.945 12.882 ( -4.497 -0.549 0.000) 4.530 13.183 ( -4.493 -1.908 0.000) 4.882 13.416 ( -0.958 2.898 0.000) 3.052 13.453 ( -0.666 2.809 0.000) 2.887 13.464 ( 3.949 -0.130 0.000) 3.951 13.605 ( 2.310 -0.604 0.000) 2.388 13.784 ( 8.364 3.952 0.000) 9.251 14.115 ( 1.800 -0.526 0.000) 1.876 14.275 ( -3.142 5.879 0.000) 6.666 14.325 ( -6.605 3.956 0.000) 7.699 14.556 ( -4.856 2.646 0.000) 5.530 14.574 ( -7.575 -1.883 0.000) 7.806 14.711 ( 2.586 -4.058 0.000) 4.812 14.727 ( -1.640 -3.413 0.000) 3.787 15.227 ( 11.950 2.059 0.000) 12.126 15.405 ( 11.929 1.972 0.000) 12.091 15.583 ( 0.964 14.368 0.000) 14.401 15.863 ( -4.745 2.492 0.000) 5.359 16.018 ( -3.046 4.453 0.000) 5.395 16.072 ( -3.844 -4.032 0.000) 5.571 16.420 ( -1.311 0.305 0.000) 1.346 16.487 ( -0.085 0.705 0.000) 0.710 16.837 ( 6.104 -3.440 0.000) 7.006 16.893 ( -2.120 5.493 0.000) 5.888 17.029 ( 16.658 -4.745 0.000) 17.321 17.944 ( -6.331 -15.517 0.000) 16.759 23.967 ( 3.725 1.673 0.000) 4.084 24.133 ( 4.073 -2.049 0.000) 4.559 24.258 ( -3.609 0.780 0.000) 3.693 24.317 ( -1.092 -0.163 0.000) 1.104 25.420 ( 0.269 1.972 0.000) 1.991 25.439 ( -0.211 1.311 0.000) 1.328 25.708 ( 1.302 -4.803 0.000) 4.976 25.840 ( -2.002 -8.046 0.000) 8.292 26.388 ( 3.081 2.965 0.000) 4.275 26.508 ( 2.691 -1.566 0.000) 3.114 26.684 ( -0.881 -4.794 0.000) 4.875 26.688 ( -3.789 -6.351 0.000) 7.395 27.467 ( 1.675 21.064 0.000) 21.130 27.874 ( -9.988 21.235 0.000) 23.466 28.370 ( 4.739 -0.715 0.000) 4.792 28.856 ( -9.950 -1.845 0.000) 10.120 ======================= Grid point 12 (9/90) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 6.947 13.998 0.000) 15.626 1.409 ( -4.946 11.879 0.000) 12.868 1.671 ( 9.028 11.771 0.000) 14.835 1.908 ( -12.895 14.516 0.000) 19.416 2.269 ( 3.628 -7.934 0.000) 8.724 2.315 ( -1.425 -6.732 0.000) 6.881 2.791 ( 1.551 -2.318 0.000) 2.789 2.819 ( -1.166 0.122 0.000) 1.172 3.026 ( 3.853 37.118 0.000) 37.317 3.056 ( 0.059 31.117 0.000) 31.117 3.403 ( 1.289 22.387 0.000) 22.424 3.416 ( -0.041 21.818 0.000) 21.818 4.181 ( 13.899 2.999 0.000) 14.219 4.434 ( -12.463 1.866 0.000) 12.602 4.796 ( 10.884 -7.128 0.000) 13.010 4.980 ( -6.330 -3.293 0.000) 7.136 5.182 ( 3.313 13.629 0.000) 14.026 5.277 ( -5.966 10.005 0.000) 11.649 5.519 ( -1.734 17.309 0.000) 17.396 5.535 ( -2.193 23.837 0.000) 23.938 5.975 ( 2.544 5.285 0.000) 5.866 6.066 ( -6.334 2.158 0.000) 6.692 6.682 ( 9.728 0.975 0.000) 9.777 6.842 ( -4.930 -5.233 0.000) 7.189 7.254 ( 5.730 -5.522 0.000) 7.958 7.308 ( 1.528 1.793 0.000) 2.356 7.476 ( -1.570 -13.377 0.000) 13.468 7.582 ( -10.475 3.803 0.000) 11.144 8.957 ( 3.749 -2.938 0.000) 4.763 9.031 ( -4.251 -4.641 0.000) 6.293 9.194 ( 3.267 -5.095 0.000) 6.052 9.272 ( -4.935 -5.448 0.000) 7.351 9.640 ( 1.890 3.252 0.000) 3.761 9.677 ( -1.174 7.245 0.000) 7.339 10.447 ( 14.836 -14.449 0.000) 20.709 10.691 ( -10.783 -14.556 0.000) 18.115 11.109 ( -1.349 -3.957 0.000) 4.181 11.114 ( -1.892 0.744 0.000) 2.033 11.362 ( 5.222 -6.962 0.000) 8.702 11.478 ( -7.023 -8.737 0.000) 11.210 11.625 ( 4.198 -2.380 0.000) 4.826 11.669 ( -0.976 -3.061 0.000) 3.213 11.898 ( 12.149 -1.537 0.000) 12.246 12.057 ( 8.381 2.308 0.000) 8.694 12.116 ( -8.914 -6.174 0.000) 10.843 12.230 ( -8.600 3.074 0.000) 9.133 12.302 ( 1.022 -1.654 0.000) 1.944 12.346 ( -3.612 2.480 0.000) 4.381 12.449 ( 0.133 -0.227 0.000) 0.263 12.475 ( -2.588 1.467 0.000) 2.975 12.563 ( 1.920 -2.118 0.000) 2.859 12.620 ( -5.223 1.721 0.000) 5.500 12.826 ( 1.332 -6.483 0.000) 6.618 12.844 ( -0.836 -5.646 0.000) 5.707 12.959 ( 6.119 -4.813 0.000) 7.786 13.075 ( -6.282 -4.048 0.000) 7.474 13.403 ( -0.044 4.918 0.000) 4.918 13.422 ( -1.988 4.569 0.000) 4.983 13.553 ( 4.891 1.515 0.000) 5.120 13.619 ( -1.498 1.168 0.000) 1.899 13.969 ( 9.644 0.682 0.000) 9.668 14.112 ( -7.228 2.098 0.000) 7.526 14.178 ( 5.909 -0.878 0.000) 5.974 14.338 ( -5.623 1.241 0.000) 5.758 14.399 ( -2.374 2.632 0.000) 3.544 14.463 ( -4.840 4.783 0.000) 6.804 14.743 ( 1.064 -5.146 0.000) 5.255 14.745 ( 0.922 -4.957 0.000) 5.042 15.464 ( 12.193 2.097 0.000) 12.372 15.588 ( 7.205 4.602 0.000) 8.549 15.594 ( -0.996 9.710 0.000) 9.761 15.730 ( -8.916 2.997 0.000) 9.406 15.967 ( -1.310 4.858 0.000) 5.032 15.993 ( -3.686 -0.085 0.000) 3.687 16.433 ( 2.053 1.177 0.000) 2.366 16.472 ( -1.616 1.332 0.000) 2.094 16.848 ( -0.601 0.541 0.000) 0.808 16.855 ( -1.457 3.026 0.000) 3.358 17.436 ( 21.090 -15.508 0.000) 26.178 17.760 ( -13.504 -16.486 0.000) 21.311 24.059 ( 5.828 1.534 0.000) 6.027 24.170 ( -5.632 1.221 0.000) 5.763 24.215 ( 4.233 -1.836 0.000) 4.614 24.281 ( -2.775 -0.901 0.000) 2.918 25.427 ( 0.388 1.815 0.000) 1.855 25.434 ( -0.351 1.551 0.000) 1.591 25.743 ( 2.383 -6.348 0.000) 6.781 25.793 ( -2.798 -7.505 0.000) 8.010 26.468 ( 5.264 1.193 0.000) 5.398 26.553 ( -0.710 -2.248 0.000) 2.357 26.613 ( -1.421 -2.562 0.000) 2.930 26.652 ( -2.582 -3.789 0.000) 4.585 27.530 ( 5.366 23.023 0.000) 23.640 27.674 ( -9.920 24.373 0.000) 26.314 28.492 ( 8.067 -0.556 0.000) 8.086 28.663 ( -10.030 -0.212 0.000) 10.032 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 23.993 0.000) 23.993 1.720 ( 0.000 17.734 0.000) 17.734 1.925 ( 0.000 10.870 0.000) 10.870 1.997 ( 0.000 -4.937 0.000) 4.937 2.308 ( 0.000 -5.854 0.000) 5.854 2.405 ( 0.000 11.666 0.000) 11.666 2.590 ( 0.000 -12.941 0.000) 12.941 2.787 ( 0.000 -6.497 0.000) 6.497 3.513 ( 0.000 19.159 0.000) 19.159 3.645 ( 0.000 10.585 0.000) 10.585 3.650 ( 0.000 30.026 0.000) 30.026 3.702 ( 0.000 11.425 0.000) 11.425 4.133 ( 0.000 14.720 0.000) 14.720 4.353 ( 0.000 -9.821 0.000) 9.821 4.763 ( 0.000 1.943 0.000) 1.943 4.885 ( 0.000 -3.391 0.000) 3.391 5.456 ( 0.000 15.911 0.000) 15.911 5.596 ( 0.000 7.797 0.000) 7.797 5.831 ( 0.000 5.984 0.000) 5.984 5.910 ( 0.000 0.371 0.000) 0.371 5.984 ( 0.000 6.786 0.000) 6.786 6.269 ( 0.000 26.807 0.000) 26.807 6.472 ( 0.000 -12.602 0.000) 12.602 6.753 ( 0.000 -2.118 0.000) 2.118 6.959 ( 0.000 -22.057 0.000) 22.057 7.248 ( 0.000 -16.446 0.000) 16.446 7.537 ( 0.000 20.811 0.000) 20.811 7.976 ( 0.000 2.920 0.000) 2.920 8.895 ( 0.000 4.723 0.000) 4.723 9.060 ( 0.000 -2.507 0.000) 2.507 9.064 ( 0.000 -3.213 0.000) 3.213 9.214 ( 0.000 -10.284 0.000) 10.284 9.672 ( 0.000 -4.068 0.000) 4.068 9.726 ( 0.000 -8.670 0.000) 8.670 9.918 ( 0.000 13.369 0.000) 13.369 10.559 ( 0.000 -18.708 0.000) 18.708 11.125 ( 0.000 -3.133 0.000) 3.133 11.156 ( 0.000 -0.771 0.000) 0.771 11.283 ( 0.000 0.800 0.000) 0.800 11.440 ( 0.000 -8.728 0.000) 8.728 11.456 ( 0.000 -1.273 0.000) 1.273 11.566 ( 0.000 -6.521 0.000) 6.521 11.715 ( 0.000 4.839 0.000) 4.839 11.977 ( 0.000 4.491 0.000) 4.491 12.036 ( 0.000 -7.255 0.000) 7.255 12.200 ( 0.000 -6.664 0.000) 6.664 12.395 ( 0.000 -1.396 0.000) 1.396 12.411 ( 0.000 1.452 0.000) 1.452 12.441 ( 0.000 0.172 0.000) 0.172 12.444 ( 0.000 -3.047 0.000) 3.047 12.617 ( 0.000 0.552 0.000) 0.552 12.711 ( 0.000 -4.250 0.000) 4.250 12.721 ( 0.000 -1.974 0.000) 1.974 12.746 ( 0.000 -2.619 0.000) 2.619 13.085 ( 0.000 5.509 0.000) 5.509 13.206 ( 0.000 -0.911 0.000) 0.911 13.403 ( 0.000 -0.115 0.000) 0.115 13.432 ( 0.000 -0.659 0.000) 0.659 13.487 ( 0.000 1.658 0.000) 1.658 13.553 ( 0.000 -1.265 0.000) 1.265 13.835 ( 0.000 6.895 0.000) 6.895 14.059 ( 0.000 -3.776 0.000) 3.776 14.338 ( 0.000 4.649 0.000) 4.649 14.519 ( 0.000 -4.145 0.000) 4.145 14.596 ( 0.000 4.986 0.000) 4.986 14.613 ( 0.000 -0.681 0.000) 0.681 14.646 ( 0.000 -0.222 0.000) 0.222 14.778 ( 0.000 -4.129 0.000) 4.129 15.144 ( 0.000 4.818 0.000) 4.818 15.264 ( 0.000 -0.367 0.000) 0.367 15.875 ( 0.000 14.039 0.000) 14.039 15.948 ( 0.000 1.471 0.000) 1.471 16.037 ( 0.000 -1.120 0.000) 1.120 16.124 ( 0.000 4.977 0.000) 4.977 16.356 ( 0.000 -6.453 0.000) 6.453 16.402 ( 0.000 -8.186 0.000) 8.186 16.755 ( 0.000 6.131 0.000) 6.131 16.924 ( 0.000 -2.277 0.000) 2.277 17.116 ( 0.000 13.140 0.000) 13.140 17.698 ( 0.000 -15.989 0.000) 15.989 23.968 ( 0.000 2.165 0.000) 2.165 24.054 ( 0.000 -2.034 0.000) 2.034 24.307 ( 0.000 0.723 0.000) 0.723 24.327 ( 0.000 -0.077 0.000) 0.077 25.466 ( 0.000 2.979 0.000) 2.979 25.487 ( 0.000 3.541 0.000) 3.541 25.613 ( 0.000 -4.376 0.000) 4.376 25.706 ( 0.000 -7.490 0.000) 7.490 26.422 ( 0.000 3.393 0.000) 3.393 26.471 ( 0.000 0.371 0.000) 0.371 26.588 ( 0.000 -5.861 0.000) 5.861 26.589 ( 0.000 -5.204 0.000) 5.204 27.829 ( 0.000 17.642 0.000) 17.642 28.273 ( 0.000 -5.130 0.000) 5.130 28.313 ( 0.000 16.688 0.000) 16.688 28.829 ( 0.000 -9.295 0.000) 9.295 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -5.302 22.284 0.000) 22.906 1.755 ( -3.701 4.536 0.000) 5.855 1.796 ( -0.650 18.388 0.000) 18.400 2.079 ( 3.982 -1.880 0.000) 4.403 2.250 ( -5.958 -7.552 0.000) 9.620 2.355 ( -4.833 12.723 0.000) 13.610 2.604 ( 1.577 -12.464 0.000) 12.563 2.769 ( -1.943 -7.166 0.000) 7.425 3.528 ( 1.554 19.623 0.000) 19.684 3.629 ( -0.635 21.297 0.000) 21.306 3.721 ( 4.567 15.301 0.000) 15.968 3.724 ( 1.983 11.412 0.000) 11.583 4.160 ( 4.316 12.944 0.000) 13.645 4.441 ( 8.523 -7.511 0.000) 11.360 4.681 ( -7.068 4.092 0.000) 8.168 4.905 ( -0.180 -6.310 0.000) 6.313 5.463 ( 1.009 17.303 0.000) 17.332 5.573 ( -1.521 10.497 0.000) 10.606 5.860 ( 1.697 16.119 0.000) 16.208 5.959 ( 4.968 -8.042 0.000) 9.452 5.980 ( -0.430 6.419 0.000) 6.434 6.208 ( -5.657 23.459 0.000) 24.131 6.508 ( 4.103 -11.513 0.000) 12.223 6.786 ( 1.394 -1.366 0.000) 1.952 7.038 ( 8.746 -19.094 0.000) 21.002 7.230 ( -1.413 -14.095 0.000) 14.165 7.429 ( -9.941 18.198 0.000) 20.736 7.874 ( -10.417 1.352 0.000) 10.504 8.912 ( 1.513 3.704 0.000) 4.001 9.031 ( -3.091 -2.636 0.000) 4.062 9.066 ( 0.710 -3.634 0.000) 3.702 9.198 ( -1.971 -9.313 0.000) 9.519 9.637 ( 1.394 0.856 0.000) 1.636 9.897 ( -2.262 12.124 0.000) 12.333 9.901 ( 12.670 -12.322 0.000) 17.674 10.518 ( -4.719 -18.404 0.000) 18.999 11.072 ( -2.371 -1.315 0.000) 2.711 11.189 ( 1.404 -4.292 0.000) 4.516 11.233 ( -4.686 1.508 0.000) 4.923 11.399 ( -4.190 -8.906 0.000) 9.843 11.514 ( 5.099 -0.282 0.000) 5.106 11.633 ( 6.918 -6.145 0.000) 9.253 11.697 ( -1.586 4.696 0.000) 4.956 12.012 ( 4.101 4.932 0.000) 6.415 12.032 ( -1.216 -8.734 0.000) 8.818 12.213 ( 1.632 -4.916 0.000) 5.180 12.374 ( -3.477 1.511 0.000) 3.791 12.419 ( 2.131 -1.376 0.000) 2.537 12.429 ( -2.121 -0.681 0.000) 2.228 12.457 ( 1.567 -2.895 0.000) 3.292 12.586 ( -2.919 2.276 0.000) 3.702 12.698 ( -1.653 -3.817 0.000) 4.159 12.726 ( 0.949 -1.530 0.000) 1.800 12.780 ( 3.180 -3.600 0.000) 4.804 12.957 ( -10.257 5.650 0.000) 11.710 13.135 ( -7.069 -3.140 0.000) 7.735 13.443 ( 3.320 0.941 0.000) 3.450 13.474 ( 4.160 0.206 0.000) 4.165 13.508 ( 1.217 2.727 0.000) 2.986 13.588 ( 2.486 -1.184 0.000) 2.754 13.871 ( 4.259 5.009 0.000) 6.575 14.068 ( 1.166 -4.076 0.000) 4.240 14.374 ( 2.672 3.922 0.000) 4.746 14.393 ( -12.289 3.067 0.000) 12.666 14.544 ( -6.460 -0.672 0.000) 6.494 14.594 ( -1.711 1.637 0.000) 2.368 14.658 ( -4.104 -4.082 0.000) 5.789 14.659 ( 0.968 -1.694 0.000) 1.952 15.293 ( 11.790 4.269 0.000) 12.539 15.419 ( 12.350 -0.815 0.000) 12.377 15.837 ( -4.133 8.752 0.000) 9.679 15.911 ( -4.289 2.093 0.000) 4.773 16.032 ( 0.171 3.015 0.000) 3.020 16.119 ( -0.763 6.237 0.000) 6.284 16.376 ( 1.785 -5.000 0.000) 5.309 16.415 ( 1.063 -7.613 0.000) 7.686 16.826 ( 5.195 2.473 0.000) 5.754 16.968 ( 6.783 -3.055 0.000) 7.439 17.075 ( -4.110 12.384 0.000) 13.049 17.638 ( -6.450 -15.776 0.000) 17.044 24.004 ( 3.680 2.171 0.000) 4.273 24.092 ( 3.793 -2.184 0.000) 4.377 24.277 ( -3.079 1.080 0.000) 3.263 24.312 ( -1.770 -0.496 0.000) 1.838 25.468 ( 0.199 2.952 0.000) 2.959 25.484 ( -0.251 3.395 0.000) 3.404 25.617 ( 0.454 -4.583 0.000) 4.606 25.692 ( -1.417 -7.118 0.000) 7.258 26.440 ( 1.841 2.802 0.000) 3.353 26.489 ( 1.701 -0.184 0.000) 1.711 26.577 ( -1.098 -4.831 0.000) 4.955 26.589 ( -0.151 -4.831 0.000) 4.834 27.855 ( 2.931 18.176 0.000) 18.411 28.247 ( -6.649 17.584 0.000) 18.799 28.315 ( 4.457 -5.423 0.000) 7.020 28.758 ( -7.067 -8.131 0.000) 10.773 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.114 16.794 0.000) 16.927 1.610 ( -5.816 10.165 0.000) 11.711 1.925 ( 9.022 6.386 0.000) 11.053 2.101 ( -9.347 -4.900 0.000) 10.554 2.149 ( 4.278 1.732 0.000) 4.615 2.248 ( -6.047 9.738 0.000) 11.463 2.651 ( 3.345 -10.870 0.000) 11.373 2.717 ( -3.406 -8.842 0.000) 9.476 3.566 ( 2.320 20.086 0.000) 20.219 3.606 ( -1.805 20.392 0.000) 20.472 3.761 ( 1.581 11.402 0.000) 11.511 3.772 ( 0.712 11.845 0.000) 11.866 4.313 ( 11.022 9.973 0.000) 14.864 4.520 ( -10.174 6.789 0.000) 12.231 4.638 ( 11.593 -7.389 0.000) 13.747 4.831 ( -7.914 -8.606 0.000) 11.692 5.499 ( 2.657 18.056 0.000) 18.251 5.545 ( -1.881 15.057 0.000) 15.174 5.919 ( 4.694 22.026 0.000) 22.521 5.973 ( -0.498 9.506 0.000) 9.519 6.024 ( 1.553 -6.444 0.000) 6.628 6.089 ( -6.253 14.677 0.000) 15.953 6.629 ( 8.147 -8.883 0.000) 12.053 6.759 ( -4.531 -4.757 0.000) 6.570 7.168 ( 1.754 -10.803 0.000) 10.945 7.246 ( -7.690 7.064 0.000) 10.442 7.319 ( 14.289 -5.902 0.000) 15.460 7.618 ( -16.009 -2.161 0.000) 16.154 8.940 ( 1.404 1.527 0.000) 2.075 8.973 ( -2.501 -0.753 0.000) 2.612 9.093 ( 2.188 -5.274 0.000) 5.710 9.145 ( -3.182 -7.150 0.000) 7.826 9.716 ( 6.063 5.554 0.000) 8.223 9.828 ( -5.196 9.093 0.000) 10.473 10.150 ( 13.333 -15.476 0.000) 20.427 10.376 ( -10.304 -17.328 0.000) 20.160 11.067 ( 1.956 0.083 0.000) 1.958 11.136 ( -5.009 1.548 0.000) 5.243 11.224 ( 2.972 -6.873 0.000) 7.488 11.304 ( -5.268 -8.225 0.000) 9.767 11.605 ( 4.026 0.867 0.000) 4.119 11.662 ( -2.285 2.900 0.000) 3.692 11.797 ( 9.675 -7.053 0.000) 11.973 11.959 ( -6.826 -9.381 0.000) 11.602 12.136 ( 8.549 4.534 0.000) 9.677 12.270 ( 4.452 -2.057 0.000) 4.904 12.282 ( -6.409 2.470 0.000) 6.869 12.364 ( -4.664 -0.797 0.000) 4.732 12.457 ( 2.199 0.958 0.000) 2.398 12.515 ( 4.630 -2.373 0.000) 5.203 12.518 ( -4.095 2.828 0.000) 4.977 12.623 ( -6.364 -1.622 0.000) 6.568 12.756 ( 2.109 -0.839 0.000) 2.270 12.808 ( -4.379 2.115 0.000) 4.863 12.862 ( 5.651 -4.912 0.000) 7.488 12.989 ( -7.730 -4.918 0.000) 9.162 13.488 ( 1.390 3.823 0.000) 4.068 13.507 ( -0.854 4.092 0.000) 4.180 13.568 ( 4.748 -0.084 0.000) 4.749 13.617 ( -0.175 -1.225 0.000) 1.238 13.995 ( 8.268 2.029 0.000) 8.513 14.124 ( 5.907 -3.972 0.000) 7.119 14.164 ( -10.560 3.138 0.000) 11.017 14.299 ( -11.127 -3.463 0.000) 11.653 14.489 ( 3.285 5.134 0.000) 6.095 14.552 ( -2.901 4.152 0.000) 5.065 14.660 ( 1.241 -3.815 0.000) 4.012 14.671 ( 0.154 -2.852 0.000) 2.856 15.520 ( 11.835 3.559 0.000) 12.359 15.634 ( 10.109 -0.338 0.000) 10.115 15.717 ( -8.786 3.535 0.000) 9.470 15.797 ( -7.479 1.145 0.000) 7.566 16.052 ( 1.847 8.215 0.000) 8.420 16.092 ( -2.070 8.463 0.000) 8.712 16.412 ( 1.750 -4.472 0.000) 4.802 16.428 ( 0.080 -6.173 0.000) 6.174 16.895 ( 3.476 4.840 0.000) 5.959 16.980 ( -5.434 9.638 0.000) 11.064 17.196 ( 15.044 -10.055 0.000) 18.095 17.461 ( -12.308 -14.434 0.000) 18.969 24.094 ( 5.578 2.048 0.000) 5.942 24.178 ( 4.868 -2.048 0.000) 5.281 24.198 ( -5.157 1.645 0.000) 5.413 24.260 ( -3.715 -1.313 0.000) 3.940 25.473 ( 0.308 2.954 0.000) 2.970 25.479 ( -0.334 3.117 0.000) 3.135 25.632 ( 1.187 -5.236 0.000) 5.369 25.660 ( -1.772 -6.215 0.000) 6.463 26.484 ( 2.556 0.979 0.000) 2.737 26.517 ( 0.132 -1.081 0.000) 1.089 26.557 ( -0.118 -2.786 0.000) 2.789 26.577 ( -1.177 -3.699 0.000) 3.882 27.943 ( 6.593 19.083 0.000) 20.189 28.093 ( -8.925 18.993 0.000) 20.986 28.433 ( 7.884 -5.988 0.000) 9.900 28.597 ( -9.295 -6.685 0.000) 11.449 ======================= Grid point 20 (13/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 0.000 -5.737 0.000) 5.737 1.893 ( 0.000 5.737 0.000) 5.737 2.102 ( 0.000 -15.371 0.000) 15.371 2.102 ( 0.000 15.371 0.000) 15.371 2.276 ( 0.000 -19.246 0.000) 19.246 2.276 ( 0.000 19.246 0.000) 19.246 2.621 ( 0.000 -10.279 0.000) 10.279 2.621 ( 0.000 10.279 0.000) 10.279 3.756 ( 0.000 -5.481 0.000) 5.481 3.756 ( 0.000 5.481 0.000) 5.481 3.825 ( 0.000 -6.696 0.000) 6.696 3.825 ( 0.000 6.696 0.000) 6.696 4.298 ( 0.000 -1.236 0.000) 1.236 4.298 ( 0.000 1.236 0.000) 1.236 4.819 ( 0.000 -3.434 0.000) 3.434 4.819 ( 0.000 3.434 0.000) 3.434 5.732 ( 0.000 -6.587 0.000) 6.587 5.732 ( 0.000 6.587 0.000) 6.587 5.825 ( 0.000 -19.587 0.000) 19.587 5.825 ( 0.000 19.587 0.000) 19.587 6.179 ( 0.000 -16.607 0.000) 16.607 6.179 ( 0.000 16.607 0.000) 16.607 6.711 ( 0.000 -2.805 0.000) 2.805 6.711 ( 0.000 2.805 0.000) 2.805 6.841 ( 0.000 -22.403 0.000) 22.403 6.841 ( 0.000 22.403 0.000) 22.403 7.882 ( 0.000 -12.700 0.000) 12.700 7.882 ( 0.000 12.700 0.000) 12.700 9.029 ( 0.000 -8.621 0.000) 8.621 9.029 ( 0.000 8.621 0.000) 8.621 9.032 ( 0.000 -0.021 0.000) 0.021 9.032 ( 0.000 0.021 0.000) 0.021 9.634 ( 0.000 -0.865 0.000) 0.865 9.634 ( 0.000 0.865 0.000) 0.865 10.204 ( 0.000 -16.920 0.000) 16.920 10.204 ( 0.000 16.920 0.000) 16.920 11.127 ( 0.000 -2.043 0.000) 2.043 11.127 ( 0.000 2.044 0.000) 2.044 11.314 ( 0.000 -3.813 0.000) 3.813 11.314 ( 0.000 3.813 0.000) 3.813 11.464 ( 0.000 -2.760 0.000) 2.760 11.464 ( 0.000 2.760 0.000) 2.760 11.870 ( 0.000 -9.394 0.000) 9.394 11.870 ( 0.000 9.394 0.000) 9.394 12.081 ( 0.000 -5.836 0.000) 5.836 12.081 ( 0.000 5.836 0.000) 5.836 12.396 ( 0.000 -1.502 0.000) 1.502 12.396 ( 0.000 1.502 0.000) 1.502 12.434 ( 0.000 -0.847 0.000) 0.847 12.434 ( 0.000 0.847 0.000) 0.847 12.646 ( 0.000 -2.424 0.000) 2.424 12.646 ( 0.000 2.424 0.000) 2.424 12.712 ( 0.000 -0.792 0.000) 0.792 12.712 ( 0.000 0.792 0.000) 0.792 13.169 ( 0.000 -3.075 0.000) 3.075 13.169 ( 0.000 3.075 0.000) 3.075 13.414 ( 0.000 -0.984 0.000) 0.984 13.414 ( 0.000 0.984 0.000) 0.984 13.521 ( 0.000 -1.858 0.000) 1.858 13.521 ( 0.000 1.858 0.000) 1.858 13.961 ( 0.000 -6.027 0.000) 6.027 13.961 ( 0.000 6.027 0.000) 6.027 14.431 ( 0.000 -4.813 0.000) 4.813 14.431 ( 0.000 4.813 0.000) 4.813 14.626 ( 0.000 -1.387 0.000) 1.387 14.626 ( 0.000 1.387 0.000) 1.387 14.690 ( 0.000 -4.808 0.000) 4.808 14.690 ( 0.000 4.808 0.000) 4.808 15.227 ( 0.000 -3.394 0.000) 3.394 15.227 ( 0.000 3.394 0.000) 3.394 15.965 ( 0.000 -0.475 0.000) 0.475 15.965 ( 0.000 0.475 0.000) 0.475 16.196 ( 0.000 -12.595 0.000) 12.595 16.196 ( 0.000 12.595 0.000) 12.595 16.234 ( 0.000 -6.123 0.000) 6.123 16.234 ( 0.000 6.123 0.000) 6.123 16.858 ( 0.000 -4.468 0.000) 4.468 16.858 ( 0.000 4.468 0.000) 4.468 17.394 ( 0.000 -15.286 0.000) 15.286 17.394 ( 0.000 15.286 0.000) 15.286 24.012 ( 0.000 -2.260 0.000) 2.260 24.012 ( 0.000 2.260 0.000) 2.260 24.320 ( 0.000 -0.581 0.000) 0.581 24.320 ( 0.000 0.581 0.000) 0.581 25.532 ( 0.000 -3.862 0.000) 3.862 25.532 ( 0.000 3.862 0.000) 3.862 25.577 ( 0.000 -5.743 0.000) 5.743 25.577 ( 0.000 5.743 0.000) 5.743 26.496 ( 0.000 -4.327 0.000) 4.327 26.496 ( 0.000 4.327 0.000) 4.327 26.502 ( 0.000 -2.976 0.000) 2.976 26.502 ( 0.000 2.976 0.000) 2.976 28.113 ( 0.000 -11.544 0.000) 11.544 28.113 ( 0.000 11.544 0.000) 11.544 28.608 ( 0.000 -13.544 0.000) 13.544 28.608 ( 0.000 13.544 0.000) 13.544 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -3.386 -5.463 0.000) 6.427 1.855 ( -3.386 5.463 0.000) 6.427 2.028 ( -7.137 -15.492 0.000) 17.057 2.028 ( -7.137 15.492 0.000) 17.057 2.305 ( 3.210 -17.861 0.000) 18.147 2.305 ( 3.210 17.861 0.000) 18.147 2.589 ( -3.305 -11.046 0.000) 11.530 2.589 ( -3.305 11.046 0.000) 11.530 3.776 ( 1.872 -5.622 0.000) 5.925 3.776 ( 1.872 5.622 0.000) 5.925 3.832 ( 0.532 -5.012 0.000) 5.040 3.832 ( 0.532 5.012 0.000) 5.040 4.354 ( 5.862 -5.521 0.000) 8.053 4.354 ( 5.862 5.521 0.000) 8.053 4.785 ( -3.870 -6.092 0.000) 7.217 4.785 ( -3.870 6.092 0.000) 7.217 5.770 ( 3.310 -9.748 0.000) 10.295 5.770 ( 3.310 9.748 0.000) 10.295 5.831 ( 0.554 -18.059 0.000) 18.067 5.831 ( 0.554 18.059 0.000) 18.067 6.213 ( 4.031 -17.656 0.000) 18.110 6.213 ( 4.031 17.656 0.000) 18.110 6.650 ( -5.577 -17.582 0.000) 18.445 6.650 ( -5.577 17.582 0.000) 18.445 6.935 ( 8.938 -12.439 0.000) 15.318 6.935 ( 8.938 12.439 0.000) 15.318 7.758 ( -12.422 -13.201 0.000) 18.127 7.758 ( -12.422 13.201 0.000) 18.127 9.017 ( -1.217 -1.161 0.000) 1.682 9.017 ( -1.217 1.161 0.000) 1.682 9.028 ( -0.292 -7.841 0.000) 7.847 9.028 ( -0.292 7.841 0.000) 7.847 9.710 ( 7.464 -6.983 0.000) 10.222 9.710 ( 7.464 6.983 0.000) 10.222 10.169 ( -3.826 -16.531 0.000) 16.968 10.169 ( -3.826 16.531 0.000) 16.968 11.106 ( -1.236 -3.955 0.000) 4.144 11.106 ( -1.236 3.956 0.000) 4.144 11.274 ( -3.982 -3.885 0.000) 5.563 11.274 ( -3.982 3.885 0.000) 5.563 11.537 ( 6.611 -3.044 0.000) 7.278 11.537 ( 6.611 3.044 0.000) 7.278 11.848 ( -2.416 -9.691 0.000) 9.988 11.848 ( -2.416 9.691 0.000) 9.988 12.114 ( 3.697 -5.323 0.000) 6.481 12.114 ( 3.697 5.323 0.000) 6.481 12.405 ( -2.934 -1.569 0.000) 3.327 12.405 ( -2.934 1.569 0.000) 3.327 12.416 ( 2.209 -1.147 0.000) 2.489 12.416 ( 2.209 1.147 0.000) 2.489 12.634 ( -1.536 -2.805 0.000) 3.198 12.634 ( -1.536 2.805 0.000) 3.198 12.728 ( 1.770 -1.577 0.000) 2.370 12.728 ( 1.770 1.577 0.000) 2.370 13.060 ( -9.455 -4.689 0.000) 10.553 13.060 ( -9.455 4.689 0.000) 10.553 13.464 ( 4.644 -1.064 0.000) 4.764 13.464 ( 4.644 1.064 0.000) 4.764 13.556 ( 2.176 -2.174 0.000) 3.076 13.556 ( 2.176 2.174 0.000) 3.076 13.973 ( 1.676 -5.376 0.000) 5.631 13.973 ( 1.676 5.376 0.000) 5.631 14.420 ( -4.685 -0.811 0.000) 4.754 14.420 ( -4.685 0.811 0.000) 4.754 14.575 ( -5.397 -3.853 0.000) 6.631 14.575 ( -5.397 3.853 0.000) 6.631 14.627 ( 0.048 -1.718 0.000) 1.719 14.627 ( 0.048 1.718 0.000) 1.719 15.374 ( 11.880 -3.638 0.000) 12.425 15.374 ( 11.880 3.638 0.000) 12.425 15.907 ( -5.644 -1.494 0.000) 5.839 15.907 ( -5.644 1.494 0.000) 5.839 16.220 ( 2.058 -11.873 0.000) 12.050 16.220 ( 2.058 11.873 0.000) 12.050 16.252 ( 1.539 -7.138 0.000) 7.302 16.252 ( 1.539 7.138 0.000) 7.302 16.898 ( 4.396 -4.098 0.000) 6.010 16.898 ( 4.396 4.098 0.000) 6.010 17.342 ( -5.512 -14.758 0.000) 15.754 17.342 ( -5.512 14.758 0.000) 15.754 24.048 ( 3.694 -2.316 0.000) 4.360 24.048 ( 3.694 2.316 0.000) 4.360 24.297 ( -2.467 -0.960 0.000) 2.647 24.297 ( -2.467 0.960 0.000) 2.647 25.534 ( 0.215 -3.893 0.000) 3.898 25.534 ( 0.215 3.893 0.000) 3.898 25.570 ( -0.713 -5.415 0.000) 5.461 25.570 ( -0.713 5.415 0.000) 5.461 26.504 ( 0.725 -3.863 0.000) 3.930 26.504 ( 0.725 3.863 0.000) 3.930 26.508 ( 0.522 -2.281 0.000) 2.340 26.508 ( 0.522 2.281 0.000) 2.340 28.149 ( 3.779 -11.972 0.000) 12.554 28.149 ( 3.779 11.972 0.000) 12.554 28.548 ( -6.049 -13.387 0.000) 14.691 28.548 ( -6.049 13.387 0.000) 14.691 ======================= Grid point 24 (15/90) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.813 ( 0.238 -10.427 0.000) 10.430 1.813 ( 0.238 10.427 0.000) 10.430 1.883 ( -6.850 -14.384 0.000) 15.932 1.883 ( -6.850 14.384 0.000) 15.932 2.392 ( 5.779 -15.424 0.000) 16.471 2.392 ( 5.779 15.424 0.000) 16.471 2.503 ( -5.649 -12.964 0.000) 14.142 2.503 ( -5.649 12.964 0.000) 14.142 3.813 ( 1.752 -5.439 0.000) 5.715 3.813 ( 1.752 5.439 0.000) 5.715 3.835 ( -0.479 -4.607 0.000) 4.632 3.835 ( -0.479 4.607 0.000) 4.632 4.502 ( 9.301 -8.104 0.000) 12.336 4.502 ( 9.301 8.104 0.000) 12.336 4.671 ( -8.092 -8.188 0.000) 11.512 4.671 ( -8.092 8.188 0.000) 11.512 5.823 ( 1.831 -13.028 0.000) 13.156 5.823 ( 1.831 13.028 0.000) 13.156 5.838 ( -0.031 -15.124 0.000) 15.124 5.838 ( -0.031 15.124 0.000) 15.124 6.338 ( 8.923 -19.639 0.000) 21.571 6.338 ( 8.923 19.639 0.000) 21.571 6.513 ( -8.889 -20.506 0.000) 22.350 6.513 ( -8.889 20.506 0.000) 22.350 7.160 ( 14.888 -8.195 0.000) 16.995 7.160 ( 14.888 8.195 0.000) 16.995 7.468 ( -17.185 -12.275 0.000) 21.119 7.468 ( -17.185 12.275 0.000) 21.119 9.004 ( 0.029 -3.554 0.000) 3.554 9.004 ( 0.029 3.554 0.000) 3.554 9.015 ( -0.926 -5.826 0.000) 5.899 9.015 ( -0.926 5.826 0.000) 5.899 9.881 ( 10.038 -11.628 0.000) 15.361 9.881 ( 10.038 11.628 0.000) 15.361 10.057 ( -8.143 -14.756 0.000) 16.854 10.057 ( -8.143 14.756 0.000) 16.854 11.113 ( 2.287 -4.353 0.000) 4.917 11.113 ( 2.287 4.353 0.000) 4.917 11.185 ( -4.926 -4.014 0.000) 6.355 11.185 ( -4.926 4.014 0.000) 6.355 11.668 ( 6.762 -5.528 0.000) 8.734 11.668 ( 6.762 5.528 0.000) 8.734 11.779 ( -4.954 -8.540 0.000) 9.873 11.779 ( -4.954 8.540 0.000) 9.873 12.215 ( 6.523 -3.550 0.000) 7.426 12.215 ( 6.523 3.550 0.000) 7.426 12.329 ( -5.183 -2.326 0.000) 5.681 12.329 ( -5.183 2.326 0.000) 5.681 12.480 ( 4.610 -1.338 0.000) 4.800 12.480 ( 4.610 1.338 0.000) 4.800 12.575 ( -4.777 -2.935 0.000) 5.607 12.575 ( -4.777 2.935 0.000) 5.607 12.781 ( 4.033 -3.096 0.000) 5.085 12.781 ( 4.033 3.096 0.000) 5.085 12.888 ( -7.739 -5.223 0.000) 9.337 12.888 ( -7.739 5.223 0.000) 9.337 13.546 ( 3.258 -2.146 0.000) 3.901 13.546 ( 3.258 2.146 0.000) 3.901 13.576 ( -0.117 -2.908 0.000) 2.911 13.576 ( -0.117 2.908 0.000) 2.911 14.048 ( 6.954 -3.472 0.000) 7.773 14.048 ( 6.954 3.472 0.000) 7.773 14.229 ( -11.695 -3.553 0.000) 12.223 14.229 ( -11.695 3.553 0.000) 12.223 14.582 ( 2.589 -4.423 0.000) 5.125 14.582 ( 2.589 4.423 0.000) 5.125 14.619 ( -1.141 -2.880 0.000) 3.097 14.619 ( -1.141 2.880 0.000) 3.097 15.591 ( 10.790 -3.458 0.000) 11.330 15.591 ( 10.790 3.458 0.000) 11.330 15.772 ( -8.584 -2.466 0.000) 8.932 15.772 ( -8.584 2.466 0.000) 8.932 16.256 ( 1.591 -10.870 0.000) 10.986 16.256 ( 1.591 10.870 0.000) 10.986 16.271 ( 0.155 -9.189 0.000) 9.190 16.271 ( 0.155 9.189 0.000) 9.190 17.024 ( 8.799 -7.998 0.000) 11.891 17.024 ( 8.799 7.998 0.000) 11.891 17.200 ( -9.182 -12.603 0.000) 15.593 17.200 ( -9.182 12.603 0.000) 15.593 24.136 ( 5.281 -2.202 0.000) 5.722 24.136 ( 5.281 2.202 0.000) 5.722 24.231 ( -4.532 -1.665 0.000) 4.828 24.231 ( -4.532 1.665 0.000) 4.828 25.541 ( 0.545 -4.121 0.000) 4.157 25.541 ( 0.545 4.121 0.000) 4.157 25.554 ( -0.846 -4.704 0.000) 4.780 25.554 ( -0.846 4.704 0.000) 4.780 26.516 ( 0.440 -2.460 0.000) 2.499 26.516 ( 0.440 2.460 0.000) 2.499 26.517 ( 0.326 -1.133 0.000) 1.179 26.517 ( 0.326 1.133 0.000) 1.179 28.253 ( 7.195 -12.736 0.000) 14.628 28.253 ( 7.195 12.736 0.000) 14.628 28.405 ( -8.587 -13.163 0.000) 15.716 28.405 ( -8.587 13.163 0.000) 15.716 ======================= Grid point 45 (16/90) ======================= q-point: ( 0.00 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 0.000 29.332) 29.332 0.641 ( 0.000 0.000 31.664) 31.664 1.132 ( 0.000 0.000 55.830) 55.830 1.959 ( 0.000 0.000 5.968) 5.968 2.067 ( 0.000 0.000 5.678) 5.678 2.094 ( 0.000 0.000 3.101) 3.101 2.377 ( 0.000 0.000 0.050) 0.050 2.380 ( 0.000 0.000 -11.533) 11.533 2.393 ( 0.000 0.000 7.863) 7.863 2.599 ( 0.000 0.000 -0.399) 0.399 2.998 ( 0.000 0.000 -6.253) 6.253 3.143 ( 0.000 0.000 -1.140) 1.140 3.804 ( 0.000 0.000 5.265) 5.265 4.560 ( 0.000 0.000 -2.044) 2.044 4.796 ( 0.000 0.000 -3.656) 3.656 4.915 ( 0.000 0.000 2.352) 2.352 5.021 ( 0.000 0.000 5.730) 5.730 5.215 ( 0.000 0.000 1.193) 1.193 5.346 ( 0.000 0.000 -0.325) 0.325 5.783 ( 0.000 0.000 4.381) 4.381 5.899 ( 0.000 0.000 7.419) 7.419 6.060 ( 0.000 0.000 0.098) 0.098 6.393 ( 0.000 0.000 -7.309) 7.309 6.888 ( 0.000 0.000 4.792) 4.792 6.978 ( 0.000 0.000 -17.165) 17.165 7.550 ( 0.000 0.000 -2.784) 2.784 7.658 ( 0.000 0.000 -25.033) 25.033 7.684 ( 0.000 0.000 2.405) 2.405 8.916 ( 0.000 0.000 -4.638) 4.638 9.105 ( 0.000 0.000 -7.079) 7.079 9.230 ( 0.000 0.000 -2.802) 2.802 9.392 ( 0.000 0.000 13.370) 13.370 9.561 ( 0.000 0.000 -4.718) 4.718 9.703 ( 0.000 0.000 -12.989) 12.989 10.118 ( 0.000 0.000 -12.971) 12.971 10.792 ( 0.000 0.000 -9.080) 9.080 11.185 ( 0.000 0.000 3.336) 3.336 11.314 ( 0.000 0.000 1.070) 1.070 11.475 ( 0.000 0.000 -0.685) 0.685 11.498 ( 0.000 0.000 -0.335) 0.335 11.608 ( 0.000 0.000 6.730) 6.730 11.798 ( 0.000 0.000 -1.064) 1.064 11.810 ( 0.000 0.000 -1.629) 1.629 12.164 ( 0.000 0.000 -10.968) 10.968 12.175 ( 0.000 0.000 11.733) 11.733 12.300 ( 0.000 0.000 -2.982) 2.982 12.364 ( 0.000 0.000 4.568) 4.568 12.445 ( 0.000 0.000 8.997) 8.997 12.451 ( 0.000 0.000 -1.356) 1.356 12.659 ( 0.000 0.000 -10.062) 10.062 12.704 ( 0.000 0.000 0.389) 0.389 12.741 ( 0.000 0.000 -0.654) 0.654 12.980 ( 0.000 0.000 7.422) 7.422 13.065 ( 0.000 0.000 3.161) 3.161 13.243 ( 0.000 0.000 2.529) 2.529 13.329 ( 0.000 0.000 -5.622) 5.622 13.352 ( 0.000 0.000 0.420) 0.420 13.386 ( 0.000 0.000 3.184) 3.184 13.499 ( 0.000 0.000 -3.050) 3.050 13.600 ( 0.000 0.000 -0.412) 0.412 14.103 ( 0.000 0.000 3.404) 3.404 14.188 ( 0.000 0.000 2.122) 2.122 14.198 ( 0.000 0.000 4.162) 4.162 14.264 ( 0.000 0.000 -21.763) 21.763 14.364 ( 0.000 0.000 -0.163) 0.163 14.537 ( 0.000 0.000 10.080) 10.080 14.792 ( 0.000 0.000 0.398) 0.398 15.012 ( 0.000 0.000 4.251) 4.251 15.154 ( 0.000 0.000 13.448) 13.448 15.253 ( 0.000 0.000 7.182) 7.182 15.368 ( 0.000 0.000 4.972) 4.972 15.841 ( 0.000 0.000 -1.089) 1.089 16.077 ( 0.000 0.000 4.222) 4.222 16.264 ( 0.000 0.000 1.163) 1.163 16.319 ( 0.000 0.000 -0.813) 0.813 16.453 ( 0.000 0.000 1.051) 1.051 16.557 ( 0.000 0.000 0.072) 0.072 16.888 ( 0.000 0.000 1.357) 1.357 16.925 ( 0.000 0.000 2.180) 2.180 18.251 ( 0.000 0.000 -10.915) 10.915 23.915 ( 0.000 0.000 1.857) 1.857 24.132 ( 0.000 0.000 0.930) 0.930 24.308 ( 0.000 0.000 1.629) 1.629 24.348 ( 0.000 0.000 2.731) 2.731 25.468 ( 0.000 0.000 8.514) 8.514 25.827 ( 0.000 0.000 4.159) 4.159 25.982 ( 0.000 0.000 1.250) 1.250 26.137 ( 0.000 0.000 1.239) 1.239 26.163 ( 0.000 0.000 4.285) 4.285 26.213 ( 0.000 0.000 0.742) 0.742 26.560 ( 0.000 0.000 4.338) 4.338 26.870 ( 0.000 0.000 -0.944) 0.944 26.987 ( 0.000 0.000 -1.575) 1.575 27.467 ( 0.000 0.000 -3.911) 3.911 28.264 ( 0.000 0.000 -4.343) 4.343 28.678 ( 0.000 0.000 -3.062) 3.062 ======================= Grid point 46 (17/90) ======================= q-point: ( 0.20 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 19.803 0.000 21.427) 29.176 0.859 ( 19.706 0.000 22.635) 30.012 1.363 ( 19.650 0.000 37.661) 42.479 1.854 ( -9.476 0.000 6.442) 11.458 1.960 ( -5.367 0.000 6.315) 8.288 2.168 ( 5.645 0.000 2.911) 6.351 2.333 ( -2.811 0.000 1.780) 3.327 2.370 ( -0.882 0.000 0.302) 0.932 2.465 ( 4.145 0.000 -3.563) 5.466 2.607 ( 0.888 0.000 0.010) 0.888 3.019 ( 1.812 0.000 -5.567) 5.855 3.133 ( -1.075 0.000 -1.381) 1.750 3.972 ( 12.973 0.000 -1.529) 13.062 4.553 ( -0.190 0.000 -1.956) 1.965 4.811 ( -1.581 0.000 3.006) 3.397 4.872 ( -9.943 0.000 3.825) 10.653 4.924 ( -4.372 0.000 -2.388) 4.982 5.125 ( -5.134 0.000 9.586) 10.874 5.200 ( -3.095 0.000 3.495) 4.668 5.727 ( -6.243 0.000 4.508) 7.700 5.922 ( -2.137 0.000 3.249) 3.889 6.189 ( 12.824 0.000 -3.992) 13.431 6.230 ( -14.069 0.000 -0.929) 14.100 6.974 ( 9.516 0.000 3.043) 9.991 7.112 ( 12.785 0.000 -13.858) 18.855 7.274 ( -18.918 0.000 -12.647) 22.756 7.643 ( -5.427 0.000 2.167) 5.844 7.785 ( 3.151 0.000 -12.483) 12.874 8.959 ( 3.953 0.000 -4.935) 6.323 9.109 ( 0.109 0.000 -6.926) 6.927 9.268 ( 3.303 0.000 -5.080) 6.060 9.337 ( -4.702 0.000 7.726) 9.044 9.533 ( -3.128 0.000 -5.087) 5.971 9.541 ( -11.388 0.000 -12.109) 16.623 10.322 ( 15.963 0.000 -13.453) 20.876 10.862 ( 5.701 0.000 -7.690) 9.573 11.162 ( -2.415 0.000 1.939) 3.098 11.381 ( -5.168 0.000 3.973) 6.519 11.430 ( 11.999 0.000 1.005) 12.041 11.506 ( -0.074 0.000 -1.981) 1.982 11.685 ( 4.992 0.000 4.515) 6.731 11.767 ( -4.398 0.000 0.875) 4.484 11.797 ( -0.229 0.000 -1.054) 1.078 12.160 ( -0.338 0.000 10.717) 10.722 12.165 ( -0.527 0.000 -9.262) 9.277 12.253 ( -4.131 0.000 -3.875) 5.664 12.386 ( -2.254 0.000 7.551) 7.880 12.435 ( 2.691 0.000 5.837) 6.427 12.451 ( -0.680 0.000 -2.310) 2.408 12.604 ( -6.296 0.000 -3.477) 7.192 12.695 ( -4.090 0.000 -0.109) 4.092 12.700 ( -12.123 0.000 3.342) 12.575 12.850 ( 3.554 0.000 3.697) 5.128 13.112 ( 4.123 0.000 3.239) 5.243 13.241 ( -3.935 0.000 4.259) 5.798 13.243 ( -0.078 0.000 2.648) 2.649 13.278 ( -4.402 0.000 0.394) 4.419 13.432 ( -6.294 0.000 7.293) 9.634 13.488 ( -1.008 0.000 -2.781) 2.958 13.565 ( -3.309 0.000 -0.292) 3.322 13.752 ( 0.476 0.000 3.342) 3.376 14.113 ( 1.061 0.000 3.301) 3.467 14.161 ( -2.082 0.000 0.679) 2.190 14.191 ( -0.769 0.000 3.872) 3.948 14.378 ( -3.986 0.000 -2.596) 4.757 14.521 ( -6.453 0.000 -2.295) 6.849 15.012 ( 5.005 0.000 0.571) 5.037 15.085 ( 3.628 0.000 17.155) 17.535 15.183 ( 4.258 0.000 4.741) 6.372 15.373 ( 9.929 0.000 3.793) 10.629 15.458 ( 9.007 0.000 4.437) 10.041 15.747 ( -6.576 0.000 2.196) 6.934 15.952 ( -6.653 0.000 9.244) 11.389 16.133 ( -9.906 0.000 1.221) 9.981 16.390 ( 3.488 0.000 -0.528) 3.528 16.455 ( 0.202 0.000 0.930) 0.952 16.755 ( 1.395 0.000 -11.045) 11.133 16.866 ( -2.262 0.000 0.568) 2.332 17.365 ( 33.193 0.000 -23.458) 40.646 18.207 ( -4.721 0.000 -11.537) 12.466 23.952 ( 3.873 0.000 1.885) 4.308 24.200 ( 4.713 0.000 -0.989) 4.816 24.265 ( -4.069 0.000 1.917) 4.498 24.347 ( -0.645 0.000 2.357) 2.443 25.475 ( 0.785 0.000 8.653) 8.688 25.648 ( -8.262 0.000 11.670) 14.299 26.144 ( 0.679 0.000 1.198) 1.377 26.172 ( 6.922 0.000 -3.785) 7.890 26.181 ( 3.316 0.000 2.321) 4.048 26.205 ( -0.832 0.000 0.797) 1.152 26.578 ( 2.686 0.000 4.154) 4.947 26.882 ( 1.243 0.000 -1.011) 1.602 26.977 ( -1.092 0.000 -1.520) 1.871 27.178 ( -19.771 0.000 11.466) 22.855 28.306 ( 4.244 0.000 -4.444) 6.145 28.624 ( -4.381 0.000 -3.401) 5.546 ======================= Grid point 47 (18/90) ======================= q-point: ( 0.40 0.00 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.218 ( 18.119 0.000 15.046) 23.552 1.260 ( 21.379 0.000 13.588) 25.331 1.493 ( -8.681 0.000 11.993) 14.805 1.616 ( -16.103 0.000 8.763) 18.333 2.063 ( 14.241 0.000 11.920) 18.571 2.260 ( -6.079 0.000 4.947) 7.838 2.269 ( 4.812 0.000 1.991) 5.208 2.339 ( -2.597 0.000 1.006) 2.785 2.541 ( 4.246 0.000 -2.678) 5.020 2.607 ( -1.837 0.000 -0.121) 1.841 3.060 ( 2.420 0.000 -3.948) 4.630 3.103 ( -2.088 0.000 -2.311) 3.115 4.230 ( 15.548 0.000 0.639) 15.561 4.563 ( -19.025 0.000 4.729) 19.604 4.577 ( 3.216 0.000 -0.192) 3.221 4.681 ( -7.807 0.000 3.279) 8.468 4.977 ( 6.198 0.000 -2.401) 6.647 5.102 ( -6.622 0.000 1.712) 6.840 5.255 ( 13.595 0.000 6.221) 14.950 5.533 ( -14.210 0.000 5.621) 15.281 5.883 ( 0.514 0.000 1.887) 1.955 5.982 ( -10.237 0.000 1.424) 10.336 6.496 ( 19.212 0.000 -9.204) 21.303 6.880 ( -21.270 0.000 -12.205) 24.523 7.212 ( 14.554 0.000 2.203) 14.720 7.426 ( 17.772 0.000 -9.042) 19.940 7.473 ( -12.379 0.000 2.300) 12.591 7.711 ( -10.851 0.000 -7.968) 13.462 9.039 ( 4.004 0.000 -5.653) 6.927 9.095 ( -1.874 0.000 -6.463) 6.729 9.285 ( 0.500 0.000 -2.944) 2.986 9.346 ( 5.083 0.000 -5.597) 7.561 9.363 ( -7.323 0.000 -8.438) 11.172 9.449 ( -5.480 0.000 -5.483) 7.752 10.619 ( 15.097 0.000 -13.712) 20.395 10.856 ( -8.671 0.000 -11.857) 14.689 11.182 ( 6.217 0.000 5.755) 8.472 11.300 ( -4.896 0.000 6.446) 8.094 11.532 ( 3.772 0.000 -0.655) 3.828 11.644 ( -7.226 0.000 0.960) 7.289 11.728 ( 18.441 0.000 -0.147) 18.441 11.762 ( 2.378 0.000 2.713) 3.608 11.789 ( -0.737 0.000 0.065) 0.740 12.045 ( -13.317 0.000 -3.205) 13.697 12.194 ( 3.994 0.000 10.172) 10.928 12.235 ( 2.745 0.000 -6.869) 7.397 12.293 ( -5.961 0.000 9.776) 11.450 12.342 ( -8.974 0.000 -3.569) 9.658 12.511 ( 0.262 0.000 1.463) 1.486 12.520 ( 4.982 0.000 2.809) 5.719 12.552 ( -3.955 0.000 1.575) 4.257 12.610 ( -4.720 0.000 1.184) 4.867 13.030 ( 11.119 0.000 -1.253) 11.190 13.189 ( 3.592 0.000 3.397) 4.944 13.195 ( -3.991 0.000 2.485) 4.701 13.217 ( -0.720 0.000 6.725) 6.763 13.234 ( -1.193 0.000 3.067) 3.291 13.273 ( -7.722 0.000 0.735) 7.757 13.475 ( 0.033 0.000 -1.996) 1.996 13.502 ( -2.840 0.000 -0.816) 2.955 13.947 ( 13.209 0.000 -3.074) 13.562 14.122 ( -3.859 0.000 -3.480) 5.196 14.139 ( 1.645 0.000 3.230) 3.624 14.170 ( -1.491 0.000 3.431) 3.741 14.304 ( -2.078 0.000 -0.228) 2.091 14.367 ( -8.117 0.000 -0.897) 8.166 15.067 ( 2.071 0.000 9.793) 10.010 15.098 ( -1.047 0.000 14.487) 14.525 15.324 ( 9.473 0.000 3.732) 10.182 15.474 ( -3.367 0.000 6.589) 7.399 15.673 ( 13.089 0.000 3.295) 13.498 15.684 ( 3.634 0.000 2.129) 4.211 15.817 ( -7.913 0.000 5.595) 9.691 15.919 ( -12.713 0.000 2.148) 12.894 16.436 ( 1.643 0.000 -0.257) 1.663 16.455 ( -0.408 0.000 0.415) 0.582 16.769 ( 1.435 0.000 -5.270) 5.462 16.813 ( -2.971 0.000 -1.604) 3.377 17.822 ( 17.545 0.000 -19.903) 26.532 18.072 ( -9.917 0.000 -14.218) 17.335 24.049 ( 6.145 0.000 1.958) 6.449 24.167 ( -6.081 0.000 2.017) 6.406 24.273 ( 3.104 0.000 0.601) 3.161 24.321 ( -2.032 0.000 1.852) 2.749 25.499 ( 1.765 0.000 9.187) 9.355 25.546 ( -3.500 0.000 10.473) 11.043 26.161 ( 1.160 0.000 1.084) 1.588 26.185 ( -1.252 0.000 0.932) 1.561 26.217 ( 2.220 0.000 2.328) 3.217 26.245 ( -0.009 0.000 -0.698) 0.698 26.683 ( 8.345 0.000 4.273) 9.375 26.878 ( -12.721 0.000 8.633) 15.374 26.912 ( 1.918 0.000 -1.178) 2.251 26.949 ( -1.827 0.000 -1.371) 2.284 28.409 ( 6.322 0.000 -4.558) 7.794 28.527 ( -5.987 0.000 -4.370) 7.412 ======================= Grid point 50 (19/90) ======================= q-point: ( 0.00 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.832 ( 0.000 20.747 18.932) 28.087 0.863 ( 0.000 20.159 23.103) 30.662 1.696 ( 0.000 43.241 32.842) 54.300 1.933 ( 0.000 -1.348 4.819) 5.004 2.093 ( 0.000 -0.723 -0.251) 0.765 2.102 ( 0.000 4.933 7.857) 9.277 2.529 ( 0.000 14.250 -7.738) 16.215 2.566 ( 0.000 5.916 0.517) 5.939 2.616 ( 0.000 17.553 -1.970) 17.663 2.631 ( 0.000 17.545 3.354) 17.863 3.023 ( 0.000 4.836 -5.205) 7.105 3.174 ( 0.000 4.474 -0.782) 4.542 3.821 ( 0.000 2.145 5.280) 5.699 4.646 ( 0.000 5.589 -5.000) 7.499 4.841 ( 0.000 -7.080 2.900) 7.650 4.888 ( 0.000 7.495 -1.092) 7.574 5.144 ( 0.000 12.494 2.438) 12.729 5.176 ( 0.000 -1.831 6.005) 6.278 5.336 ( 0.000 3.538 3.551) 5.013 5.690 ( 0.000 -5.897 2.195) 6.292 5.916 ( 0.000 3.499 8.137) 8.857 6.119 ( 0.000 1.849 1.489) 2.374 6.435 ( 0.000 5.794 -4.649) 7.429 6.855 ( 0.000 -1.972 2.772) 3.402 6.979 ( 0.000 0.598 -13.668) 13.681 7.527 ( 0.000 -2.695 -3.855) 4.704 7.549 ( 0.000 -7.312 -18.792) 20.164 7.745 ( 0.000 2.519 0.014) 2.519 8.876 ( 0.000 -3.511 -3.284) 4.808 9.095 ( 0.000 -0.942 -6.322) 6.392 9.197 ( 0.000 -2.691 -2.776) 3.866 9.465 ( 0.000 6.716 7.801) 10.293 9.511 ( 0.000 -5.133 -4.468) 6.805 9.709 ( 0.000 0.428 -10.616) 10.625 10.057 ( 0.000 -6.211 -10.592) 12.278 10.843 ( 0.000 3.310 -11.204) 11.682 11.164 ( 0.000 -2.966 1.443) 3.298 11.253 ( 0.000 -4.409 -0.233) 4.415 11.431 ( 0.000 -6.635 0.158) 6.636 11.523 ( 0.000 1.143 -1.431) 1.831 11.579 ( 0.000 -3.012 5.325) 6.118 11.741 ( 0.000 -5.420 -1.894) 5.742 11.792 ( 0.000 -0.774 -5.366) 5.422 12.139 ( 0.000 -3.015 -10.411) 10.838 12.145 ( 0.000 -3.135 12.542) 12.928 12.316 ( 0.000 -3.413 1.535) 3.742 12.340 ( 0.000 3.221 -2.640) 4.165 12.473 ( 0.000 1.304 0.150) 1.312 12.488 ( 0.000 3.414 6.686) 7.507 12.588 ( 0.000 -5.305 -2.960) 6.074 12.756 ( 0.000 4.697 1.596) 4.961 12.771 ( 0.000 1.237 -3.173) 3.405 12.924 ( 0.000 -13.614 1.699) 13.720 12.958 ( 0.000 -2.264 7.004) 7.361 13.173 ( 0.000 -13.190 2.453) 13.416 13.216 ( 0.000 -2.361 -1.151) 2.627 13.337 ( 0.000 -0.466 -0.552) 0.722 13.394 ( 0.000 -0.975 4.874) 4.970 13.529 ( 0.000 2.337 -0.310) 2.357 13.660 ( 0.000 4.343 2.994) 5.275 13.703 ( 0.000 -11.641 9.362) 14.938 14.079 ( 0.000 -1.603 1.709) 2.344 14.230 ( 0.000 3.254 1.356) 3.526 14.393 ( 0.000 3.043 0.896) 3.173 14.417 ( 0.000 4.587 -11.119) 12.028 14.730 ( 0.000 6.070 6.774) 9.096 14.783 ( 0.000 -0.829 2.288) 2.433 15.005 ( 0.000 -0.783 4.209) 4.281 15.142 ( 0.000 -1.226 8.304) 8.394 15.150 ( 0.000 -0.358 12.799) 12.804 15.436 ( 0.000 5.293 5.280) 7.476 15.854 ( 0.000 1.512 -1.128) 1.887 16.054 ( 0.000 -1.141 3.015) 3.224 16.210 ( 0.000 -4.324 0.848) 4.406 16.389 ( 0.000 5.686 -0.889) 5.755 16.491 ( 0.000 3.150 -1.225) 3.379 16.637 ( 0.000 0.334 1.442) 1.480 16.843 ( 0.000 -2.634 -3.150) 4.107 16.903 ( 0.000 2.128 3.318) 3.941 18.165 ( 0.000 -8.433 -8.996) 12.331 23.922 ( 0.000 0.835 1.745) 1.934 24.124 ( 0.000 -0.879 0.953) 1.296 24.309 ( 0.000 0.174 1.739) 1.748 24.349 ( 0.000 0.119 2.715) 2.718 25.472 ( 0.000 0.587 8.181) 8.202 25.612 ( 0.000 -9.190 12.266) 15.327 25.799 ( 0.000 -2.687 3.871) 4.712 26.055 ( 0.000 -7.226 3.972) 8.245 26.292 ( 0.000 4.227 1.025) 4.350 26.456 ( 0.000 1.687 -5.060) 5.334 26.705 ( 0.000 7.488 -2.219) 7.810 26.895 ( 0.000 -7.382 0.018) 7.382 27.034 ( 0.000 16.599 -3.503) 16.964 27.621 ( 0.000 13.515 -4.626) 14.285 28.271 ( 0.000 0.584 -4.560) 4.597 28.808 ( 0.000 6.375 -12.909) 14.398 ======================= Grid point 51 (20/90) ======================= q-point: ( 0.20 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 12.994 12.142 18.513) 25.671 1.046 ( 14.512 16.402 18.990) 28.987 1.745 ( -4.434 13.884 9.943) 17.644 1.885 ( -1.420 10.751 15.171) 18.648 2.068 ( 4.898 16.309 9.055) 19.286 2.213 ( 8.051 1.802 0.299) 8.255 2.497 ( -1.897 10.387 -3.838) 11.235 2.598 ( -0.746 19.930 4.934) 20.546 2.609 ( 1.511 6.514 -2.560) 7.161 2.644 ( 0.960 17.254 -0.854) 17.302 3.041 ( 1.769 4.632 -4.761) 6.874 3.165 ( -1.111 4.931 -0.977) 5.148 3.946 ( 11.242 -0.786 2.135) 11.469 4.617 ( -3.038 3.234 -2.605) 5.146 4.827 ( -4.559 -2.624 4.633) 7.009 4.902 ( 0.690 6.653 1.908) 6.956 5.045 ( -1.106 9.142 -2.651) 9.582 5.138 ( -5.519 6.500 7.341) 11.252 5.283 ( -3.104 7.208 3.747) 8.696 5.635 ( -6.407 -6.562 2.704) 9.562 5.926 ( -0.665 2.132 5.061) 5.532 6.157 ( -1.463 -0.646 -1.763) 2.380 6.386 ( 0.538 10.761 -1.275) 10.850 6.927 ( 7.148 -3.393 2.931) 8.437 7.078 ( 10.528 -3.441 -12.805) 16.931 7.277 ( -15.269 0.369 -12.041) 19.449 7.618 ( -2.850 -3.268 -4.768) 6.445 7.744 ( -0.906 -3.059 -4.202) 5.276 8.911 ( 3.313 -4.028 -3.894) 6.509 9.094 ( -0.609 -1.348 -6.350) 6.520 9.216 ( 1.685 -3.901 -3.804) 5.703 9.396 ( -5.587 2.711 2.047) 6.539 9.517 ( -0.974 0.120 -3.520) 3.655 9.578 ( -7.420 3.097 -8.672) 11.826 10.261 ( 15.845 -6.288 -11.165) 20.378 10.867 ( 1.428 -0.384 -9.273) 9.390 11.138 ( -2.518 -2.847 0.948) 3.917 11.279 ( 0.374 -6.422 1.287) 6.560 11.406 ( 0.598 -5.225 0.470) 5.280 11.530 ( 3.952 0.522 -0.724) 4.051 11.664 ( 3.942 -4.380 3.168) 6.690 11.739 ( -0.008 -5.135 -2.237) 5.601 11.760 ( -1.950 2.133 -2.023) 3.528 12.108 ( -0.906 -4.792 6.141) 7.842 12.165 ( 1.383 -1.218 -4.587) 4.943 12.280 ( -5.007 1.780 -2.041) 5.693 12.382 ( 3.884 -1.238 1.796) 4.455 12.430 ( -4.182 1.429 3.006) 5.345 12.486 ( -0.877 2.375 0.802) 2.656 12.542 ( -6.802 -6.354 1.011) 9.362 12.668 ( -5.997 2.496 -0.237) 6.500 12.723 ( -10.430 -3.422 5.684) 12.361 12.851 ( 6.062 0.262 -0.478) 6.087 12.991 ( 2.500 -8.209 3.450) 9.249 13.182 ( 0.402 -6.132 7.687) 9.842 13.224 ( -0.938 -1.612 0.750) 2.010 13.315 ( -0.828 2.179 -0.728) 2.442 13.395 ( -2.671 -2.223 3.538) 4.959 13.513 ( -1.279 1.656 -0.401) 2.130 13.591 ( -2.287 2.868 1.448) 3.944 13.784 ( 6.673 2.370 2.899) 7.652 14.077 ( -0.558 -1.635 0.209) 1.740 14.184 ( -7.165 3.051 -0.164) 7.790 14.239 ( 0.109 3.516 -0.666) 3.581 14.432 ( -2.983 3.841 -2.544) 5.489 14.546 ( -7.969 2.374 2.417) 8.660 15.001 ( 4.175 -3.685 10.650) 12.018 15.042 ( 1.819 -3.808 15.131) 15.709 15.220 ( 7.489 3.513 2.519) 8.647 15.271 ( 12.772 -2.459 1.052) 13.049 15.493 ( 4.597 3.554 5.901) 8.282 15.808 ( -3.694 3.190 -0.515) 4.907 15.968 ( -6.943 1.895 4.735) 8.615 16.137 ( -6.897 -1.201 1.171) 7.098 16.392 ( 0.860 0.235 -0.909) 1.273 16.443 ( -0.077 1.047 0.369) 1.112 16.800 ( -0.667 2.837 -8.083) 8.593 16.877 ( -1.971 1.367 2.027) 3.140 17.145 ( 31.500 -14.251 -8.343) 35.566 18.113 ( -5.576 -9.071 -9.548) 14.302 23.959 ( 3.867 0.807 1.793) 4.339 24.177 ( 4.521 -1.723 0.355) 4.851 24.268 ( -3.957 0.355 1.931) 4.417 24.345 ( -0.813 -0.106 2.403) 2.539 25.478 ( 0.605 0.436 8.251) 8.284 25.573 ( -2.918 -4.558 10.884) 12.155 25.853 ( 4.252 -7.317 3.932) 9.331 26.037 ( -1.817 -7.965 3.675) 8.958 26.320 ( 2.963 5.043 0.902) 5.918 26.505 ( 4.774 1.868 -4.518) 6.833 26.658 ( -4.814 7.353 -1.384) 8.897 26.856 ( -3.520 -6.694 1.364) 7.685 27.056 ( 1.883 15.756 -2.305) 16.035 27.436 ( -14.856 20.520 1.716) 25.391 28.313 ( 4.316 0.566 -4.806) 6.484 28.706 ( -8.011 5.464 -7.908) 12.513 ======================= Grid point 52 (21/90) ======================= q-point: ( 0.40 0.12 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 15.741 2.766 13.540) 20.947 1.324 ( 11.964 9.331 15.400) 21.618 1.592 ( -7.513 3.682 4.908) 9.700 1.708 ( -13.501 8.885 8.925) 18.463 2.312 ( 11.056 17.670 6.449) 21.818 2.338 ( 4.727 2.226 -1.175) 5.355 2.476 ( 0.829 14.113 1.182) 14.187 2.551 ( -3.813 20.322 5.602) 21.422 2.641 ( 0.823 9.262 -0.685) 9.324 2.650 ( -0.266 15.129 -0.585) 15.143 3.084 ( 2.632 4.797 -3.414) 6.449 3.132 ( -2.338 5.157 -1.839) 5.953 4.192 ( 14.893 -1.876 2.058) 15.151 4.473 ( -13.360 -3.144 3.003) 14.050 4.756 ( 1.388 12.295 1.475) 12.461 4.849 ( -6.466 12.811 2.581) 14.581 5.101 ( 4.456 11.602 -2.453) 12.668 5.183 ( 6.029 -0.409 4.260) 7.393 5.211 ( 0.385 5.374 3.568) 6.462 5.446 ( -13.229 -6.469 4.468) 15.389 5.912 ( 0.987 3.151 2.243) 3.992 6.006 ( -9.039 2.906 0.587) 9.513 6.572 ( 15.481 6.175 -6.453) 17.872 6.883 ( -15.840 -0.533 -7.954) 17.733 7.201 ( 10.585 -0.478 -1.850) 10.756 7.313 ( 8.691 -7.572 -5.731) 12.873 7.505 ( -4.222 0.283 -3.048) 5.215 7.647 ( -9.872 -6.076 -5.605) 12.876 8.980 ( 3.801 -4.735 -5.587) 8.251 9.051 ( -3.662 -3.590 -6.634) 8.385 9.256 ( 2.722 -3.954 -3.790) 6.116 9.313 ( -3.201 0.097 -2.197) 3.884 9.477 ( -1.050 5.197 -6.582) 8.452 9.499 ( -2.643 6.803 -5.538) 9.162 10.558 ( 15.159 -6.501 -11.642) 20.189 10.801 ( -9.642 -5.960 -10.495) 15.447 11.146 ( 4.222 -3.379 3.505) 6.444 11.235 ( -4.131 -5.969 4.491) 8.536 11.466 ( 4.874 -5.593 -1.391) 7.548 11.575 ( -5.231 -6.021 -1.955) 8.212 11.692 ( 4.382 -3.119 2.023) 5.747 11.736 ( -0.831 -4.251 -0.679) 4.385 11.855 ( 11.895 6.583 -0.617) 13.609 12.099 ( -8.686 3.057 -1.724) 9.369 12.158 ( 2.290 -3.221 6.258) 7.401 12.221 ( 2.118 -1.717 -3.144) 4.161 12.298 ( -8.318 -0.478 6.539) 10.591 12.330 ( -7.705 -0.993 -2.896) 8.291 12.466 ( 3.364 -1.542 1.119) 3.866 12.513 ( -0.718 -1.043 3.408) 3.635 12.580 ( -1.336 2.076 0.417) 2.504 12.616 ( -3.537 -0.369 2.209) 4.186 12.988 ( 7.060 -4.273 0.278) 8.257 13.037 ( 1.726 -7.937 4.291) 9.186 13.159 ( -1.588 -3.212 4.737) 5.940 13.195 ( -3.435 -3.645 8.336) 9.725 13.296 ( 0.063 4.050 -0.225) 4.057 13.333 ( -2.773 4.263 -0.131) 5.087 13.505 ( 1.192 2.242 -1.816) 3.122 13.549 ( -2.786 3.806 -1.372) 4.912 13.962 ( 10.242 1.213 -0.881) 10.352 14.062 ( -1.173 -2.298 -2.161) 3.365 14.138 ( 1.018 -0.728 0.236) 1.273 14.221 ( -4.139 2.757 -3.059) 5.839 14.363 ( -1.851 4.700 1.724) 5.337 14.410 ( -5.708 4.599 2.821) 7.855 15.041 ( 1.138 -3.571 13.623) 14.129 15.053 ( -0.134 -4.464 16.327) 16.927 15.378 ( 8.581 5.527 1.253) 10.284 15.507 ( -0.596 3.166 4.917) 5.878 15.529 ( 9.842 -4.326 0.769) 10.778 15.738 ( -7.197 -1.950 2.222) 7.780 15.869 ( 1.082 6.363 2.086) 6.783 15.987 ( -8.426 3.402 2.000) 9.304 16.418 ( 1.589 -1.451 -0.625) 2.241 16.441 ( -0.635 -0.035 -0.181) 0.661 16.794 ( 0.731 1.880 -3.934) 4.421 16.829 ( -2.671 1.654 -0.382) 3.165 17.646 ( 21.169 -14.626 -13.022) 28.838 17.951 ( -12.066 -11.207 -11.162) 19.894 24.056 ( 6.087 0.722 1.894) 6.416 24.172 ( -5.970 0.558 1.967) 6.311 24.258 ( 3.739 -1.300 0.952) 4.071 24.315 ( -2.354 -0.530 1.879) 3.058 25.495 ( 1.257 -0.097 8.562) 8.654 25.526 ( -2.065 -1.359 9.376) 9.696 25.929 ( 3.736 -9.648 3.536) 10.934 25.991 ( -2.942 -9.232 3.405) 10.270 26.401 ( 5.630 7.080 0.078) 9.046 26.520 ( -6.326 9.968 -3.116) 12.210 26.641 ( 6.410 -3.237 2.095) 7.480 26.767 ( -6.099 -5.307 2.629) 8.501 27.103 ( 3.529 17.409 -0.481) 17.769 27.209 ( -8.507 21.091 1.937) 22.824 28.421 ( 6.885 0.992 -5.202) 8.686 28.559 ( -7.655 2.550 -5.721) 9.891 ======================= Grid point 55 (22/90) ======================= q-point: ( 0.00 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 0.000 24.489 8.281) 25.851 1.314 ( 0.000 24.581 10.652) 26.790 1.908 ( 0.000 -0.634 4.468) 4.512 2.065 ( 0.000 -2.009 -0.815) 2.169 2.152 ( 0.000 10.403 2.581) 10.718 2.356 ( 0.000 5.550 5.013) 7.479 2.687 ( 0.000 -1.222 -7.104) 7.209 2.797 ( 0.000 1.282 -3.917) 4.122 2.946 ( 0.000 40.486 7.442) 41.165 3.111 ( 0.000 26.029 3.805) 26.306 3.315 ( 0.000 19.718 -2.692) 19.901 3.388 ( 0.000 18.521 0.009) 18.521 3.921 ( 0.000 9.210 5.011) 10.485 4.630 ( 0.000 -10.479 3.388) 11.013 4.734 ( 0.000 0.154 -1.622) 1.630 4.972 ( 0.000 -0.756 3.815) 3.889 5.261 ( 0.000 10.015 5.858) 11.602 5.442 ( 0.000 15.584 -7.989) 17.512 5.452 ( 0.000 7.690 1.436) 7.823 5.743 ( 0.000 14.295 4.311) 14.931 6.011 ( 0.000 3.756 4.418) 5.798 6.095 ( 0.000 -0.922 5.559) 5.635 6.522 ( 0.000 -0.505 -7.346) 7.363 6.812 ( 0.000 -2.376 -0.222) 2.386 7.075 ( 0.000 10.400 -8.948) 13.719 7.332 ( 0.000 -16.350 -9.819) 19.072 7.450 ( 0.000 -4.705 -3.459) 5.840 7.818 ( 0.000 5.457 -1.548) 5.673 8.819 ( 0.000 -1.339 -3.680) 3.916 9.072 ( 0.000 -1.351 -4.487) 4.686 9.139 ( 0.000 -3.210 -1.095) 3.392 9.370 ( 0.000 -9.173 -3.791) 9.925 9.629 ( 0.000 9.425 -1.220) 9.504 9.715 ( 0.000 0.534 -4.308) 4.341 9.895 ( 0.000 -9.648 -4.895) 10.819 10.821 ( 0.000 -8.706 -5.434) 10.263 11.137 ( 0.000 2.704 -5.456) 6.090 11.172 ( 0.000 -2.973 -1.363) 3.271 11.264 ( 0.000 -9.668 0.473) 9.680 11.459 ( 0.000 -6.632 -7.071) 9.694 11.490 ( 0.000 -6.094 -0.824) 6.150 11.619 ( 0.000 -6.361 0.662) 6.396 11.834 ( 0.000 4.411 -5.699) 7.206 12.035 ( 0.000 -7.474 -9.693) 12.239 12.051 ( 0.000 -6.566 16.595) 17.847 12.261 ( 0.000 -2.427 -2.646) 3.591 12.394 ( 0.000 1.958 -2.613) 3.265 12.480 ( 0.000 -1.133 -1.147) 1.612 12.496 ( 0.000 -3.457 3.754) 5.103 12.519 ( 0.000 -3.487 6.630) 7.491 12.641 ( 0.000 -7.193 0.406) 7.205 12.770 ( 0.000 -0.745 -0.943) 1.202 12.879 ( 0.000 4.424 4.900) 6.601 12.894 ( 0.000 -4.260 6.736) 7.970 12.992 ( 0.000 -4.005 0.957) 4.118 13.180 ( 0.000 -1.021 -5.060) 5.162 13.339 ( 0.000 0.285 -1.136) 1.171 13.349 ( 0.000 -2.508 0.729) 2.612 13.574 ( 0.000 2.088 3.555) 4.122 13.685 ( 0.000 4.501 -0.692) 4.554 13.718 ( 0.000 1.195 6.272) 6.384 14.048 ( 0.000 -1.790 -0.554) 1.873 14.302 ( 0.000 4.340 0.106) 4.341 14.472 ( 0.000 4.683 3.104) 5.618 14.497 ( 0.000 3.188 -7.726) 8.358 14.745 ( 0.000 -2.175 12.626) 12.812 14.761 ( 0.000 -1.319 6.131) 6.271 14.965 ( 0.000 -3.331 7.380) 8.097 15.152 ( 0.000 0.963 9.269) 9.319 15.209 ( 0.000 4.688 0.313) 4.699 15.591 ( 0.000 10.696 0.993) 10.742 15.901 ( 0.000 3.191 -0.821) 3.295 16.056 ( 0.000 1.117 1.177) 1.623 16.118 ( 0.000 -4.555 1.125) 4.692 16.466 ( 0.000 -0.008 -1.589) 1.589 16.546 ( 0.000 -6.831 5.581) 8.821 16.561 ( 0.000 5.262 -5.027) 7.277 16.851 ( 0.000 0.903 -8.115) 8.165 16.999 ( 0.000 7.991 6.567) 10.343 17.954 ( 0.000 -12.688 -5.071) 13.664 23.946 ( 0.000 1.649 1.584) 2.286 24.100 ( 0.000 -1.539 1.024) 1.848 24.316 ( 0.000 0.517 1.904) 1.973 24.352 ( 0.000 0.155 2.628) 2.633 25.493 ( 0.000 1.400 7.143) 7.279 25.532 ( 0.000 -0.764 8.284) 8.319 25.731 ( 0.000 -4.149 3.497) 5.426 25.907 ( 0.000 -7.792 4.597) 9.047 26.358 ( 0.000 2.664 0.079) 2.665 26.447 ( 0.000 -1.205 -2.332) 2.625 26.735 ( 0.000 -2.084 3.703) 4.249 26.755 ( 0.000 -6.551 2.894) 7.161 27.402 ( 0.000 19.926 -4.990) 20.541 27.919 ( 0.000 16.213 -6.053) 17.306 28.278 ( 0.000 -0.064 -4.391) 4.392 28.846 ( 0.000 -1.868 -10.528) 10.693 ======================= Grid point 56 (23/90) ======================= q-point: ( 0.20 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 1.876 20.394 9.093) 22.408 1.433 ( 9.320 21.953 10.400) 26.019 1.786 ( -9.562 0.437 5.635) 11.107 2.090 ( -6.139 9.839 2.204) 11.804 2.147 ( 5.235 -3.574 -1.987) 6.643 2.356 ( -0.584 -0.459 2.763) 2.861 2.705 ( 1.756 -1.849 -6.052) 6.567 2.796 ( -0.131 2.095 -3.154) 3.789 3.000 ( 4.856 38.484 6.964) 39.409 3.101 ( -0.527 27.206 3.548) 27.442 3.339 ( 2.124 21.536 -2.788) 21.819 3.405 ( 1.183 19.233 -0.177) 19.270 3.994 ( 7.955 6.633 4.189) 11.172 4.642 ( -5.875 0.212 0.205) 5.883 4.695 ( 3.859 -9.654 5.117) 11.588 5.009 ( 2.527 0.154 1.893) 3.161 5.232 ( -1.705 11.461 5.057) 12.643 5.378 ( -3.958 12.445 -1.425) 13.136 5.456 ( -1.546 12.543 -3.512) 13.117 5.692 ( -5.269 15.752 3.316) 16.938 6.010 ( -0.922 5.973 4.958) 7.817 6.124 ( 1.676 -3.129 0.965) 3.678 6.556 ( 3.486 3.657 -2.337) 5.566 6.863 ( 4.093 -3.439 1.984) 5.702 7.057 ( -0.023 4.454 -11.072) 11.934 7.251 ( -4.870 -4.878 -8.561) 10.991 7.458 ( -1.067 -11.934 -5.885) 13.349 7.752 ( -7.053 3.586 -1.349) 8.027 8.844 ( 2.369 -1.946 -4.391) 5.355 9.062 ( -2.022 -1.891 -4.685) 5.442 9.140 ( 0.690 -3.830 -1.145) 4.056 9.334 ( -3.510 -7.297 -2.885) 8.596 9.595 ( -2.810 4.268 -3.509) 6.199 9.663 ( -0.571 7.173 -2.113) 7.499 10.090 ( 14.579 -10.802 -6.397) 19.239 10.776 ( -5.221 -10.714 -5.788) 13.250 11.112 ( -2.206 1.738 -4.479) 5.286 11.157 ( -1.949 -5.899 0.270) 6.218 11.277 ( 2.360 -6.734 -0.926) 7.195 11.461 ( 0.883 -6.981 -5.472) 8.914 11.555 ( 4.159 -5.681 -1.698) 7.242 11.625 ( 0.940 -5.730 0.080) 5.807 11.851 ( 2.553 5.924 -3.455) 7.318 11.973 ( -1.962 -8.795 4.718) 10.172 12.103 ( 2.746 -5.769 -0.669) 6.424 12.274 ( -0.977 -3.229 -1.980) 3.912 12.359 ( -3.971 -1.068 -2.841) 4.998 12.443 ( -2.323 -1.234 -0.081) 2.631 12.451 ( -4.067 -1.159 2.331) 4.829 12.533 ( -0.178 1.014 2.923) 3.099 12.602 ( -1.904 -4.558 4.129) 6.438 12.729 ( -5.678 2.093 -1.820) 6.319 12.838 ( -0.327 -1.942 1.036) 2.225 12.902 ( 1.743 0.114 7.531) 7.731 13.045 ( 3.507 -7.373 9.672) 12.657 13.187 ( -2.611 -2.161 -0.080) 3.390 13.328 ( 2.093 0.167 -5.102) 5.517 13.383 ( 2.580 0.293 -1.236) 2.876 13.555 ( -2.044 2.717 2.282) 4.095 13.658 ( -1.521 3.434 2.455) 4.487 13.823 ( 8.199 1.560 3.647) 9.108 14.050 ( 0.404 -1.690 -2.778) 3.277 14.268 ( -12.126 4.561 -3.697) 13.473 14.312 ( -0.882 4.242 -0.993) 4.445 14.499 ( -2.638 3.124 0.558) 4.127 14.600 ( -5.633 2.937 6.502) 9.090 14.880 ( 3.604 -6.241 15.546) 17.135 14.965 ( -0.318 -5.022 13.273) 14.195 15.247 ( 10.059 1.905 3.066) 10.687 15.353 ( 10.873 5.088 -2.877) 12.344 15.613 ( 1.801 9.090 1.572) 9.399 15.861 ( -4.460 2.614 -0.019) 5.170 16.008 ( -4.187 1.832 -0.448) 4.592 16.089 ( -2.959 -2.250 2.116) 4.277 16.401 ( -2.963 -0.067 -1.734) 3.434 16.469 ( -0.066 -0.034 -1.677) 1.678 16.818 ( 2.352 -1.884 -2.621) 3.994 16.901 ( 9.062 0.705 -1.673) 9.242 17.010 ( 8.321 2.210 2.002) 8.839 17.892 ( -6.669 -12.985 -5.274) 15.521 23.983 ( 3.790 1.618 1.644) 4.437 24.143 ( 4.075 -1.859 0.978) 4.585 24.279 ( -3.629 0.804 1.965) 4.205 24.342 ( -1.287 -0.207 2.378) 2.712 25.496 ( 0.285 1.306 7.141) 7.265 25.526 ( -0.534 -0.346 7.997) 8.022 25.745 ( 1.422 -4.930 3.630) 6.285 25.885 ( -2.216 -7.680 4.366) 9.108 26.389 ( 3.283 2.458 0.251) 4.109 26.488 ( 4.106 -1.732 -1.330) 4.650 26.696 ( -4.090 -2.052 2.032) 5.007 26.736 ( -1.896 -5.111 3.475) 6.465 27.425 ( 2.553 20.434 -4.071) 20.991 27.834 ( -8.459 19.543 -4.164) 21.699 28.316 ( 4.149 -0.620 -5.159) 6.649 28.758 ( -8.143 -0.562 -8.795) 11.999 ======================= Grid point 57 (24/90) ======================= q-point: ( 0.40 0.25 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.371 ( 8.246 10.887 10.124) 17.000 1.538 ( -6.493 9.649 11.585) 16.415 1.699 ( 8.537 10.687 3.830) 14.205 1.917 ( -11.549 12.399 3.021) 17.212 2.244 ( 4.787 -7.332 -1.991) 8.980 2.320 ( -3.212 -6.651 0.080) 7.386 2.744 ( 2.285 -1.959 -4.385) 5.319 2.782 ( -1.505 -0.458 -3.410) 3.756 3.081 ( 2.704 33.653 4.651) 34.081 3.099 ( 0.051 29.545 3.317) 29.730 3.381 ( 2.153 22.513 -2.119) 22.714 3.411 ( -0.760 21.451 -0.855) 21.482 4.206 ( 13.672 3.828 3.446) 14.610 4.457 ( -12.283 1.558 2.747) 12.683 4.846 ( 10.214 -6.380 4.470) 12.846 5.006 ( -4.640 -2.342 2.189) 5.639 5.224 ( 1.818 11.610 4.155) 12.464 5.303 ( -4.942 9.887 2.326) 11.295 5.453 ( 3.448 19.618 -3.741) 20.267 5.567 ( -7.350 18.950 0.622) 20.335 6.004 ( 1.454 5.771 2.952) 6.643 6.079 ( -5.525 3.528 1.185) 6.662 6.674 ( 9.108 3.410 -0.962) 9.773 6.845 ( -7.214 -2.810 -0.446) 7.755 7.139 ( 8.134 -5.485 -9.801) 13.867 7.242 ( 0.757 -0.776 -5.994) 6.091 7.419 ( 0.681 -9.360 -6.101) 11.193 7.571 ( -11.353 -0.005 -2.049) 11.536 8.900 ( 3.661 -2.776 -5.211) 6.947 8.984 ( -5.178 -2.782 -4.760) 7.563 9.183 ( 3.590 -4.085 -1.506) 5.643 9.258 ( -4.245 -5.128 -1.635) 6.855 9.595 ( 2.222 6.222 -3.751) 7.597 9.643 ( -2.101 7.635 -3.198) 8.540 10.369 ( 14.719 -12.589 -7.409) 20.737 10.618 ( -11.391 -12.858 -7.001) 18.550 11.088 ( 0.112 -1.892 -1.309) 2.303 11.113 ( -2.251 -5.229 0.567) 5.721 11.345 ( 4.562 -6.535 -1.903) 8.194 11.434 ( -4.120 -8.036 -3.404) 9.651 11.619 ( 2.585 -4.145 -1.613) 5.144 11.643 ( 0.043 -4.831 -1.559) 5.077 11.969 ( 9.761 2.036 1.703) 10.116 12.013 ( 6.400 -5.471 -0.622) 8.443 12.119 ( -3.966 -9.635 0.338) 10.425 12.192 ( -8.718 3.425 -3.718) 10.078 12.255 ( -0.712 -1.788 -2.178) 2.907 12.341 ( -6.575 0.805 -1.271) 6.745 12.467 ( 3.043 1.096 2.300) 3.969 12.521 ( -1.847 2.035 3.640) 4.561 12.584 ( -0.148 -2.275 2.724) 3.552 12.613 ( -4.178 1.284 -0.221) 4.376 12.888 ( 3.865 -4.666 2.337) 6.494 12.930 ( 0.320 -3.388 7.596) 8.323 13.088 ( 0.704 -5.215 10.685) 11.911 13.113 ( -3.144 -3.949 4.689) 6.890 13.371 ( 2.248 3.745 -2.994) 5.295 13.418 ( -1.236 4.362 -0.810) 4.605 13.540 ( 2.566 1.272 -2.377) 3.722 13.612 ( -3.514 2.339 -0.490) 4.250 13.980 ( 6.987 0.608 2.129) 7.329 14.059 ( -1.503 1.633 -4.692) 5.190 14.126 ( 0.787 -0.580 -2.135) 2.348 14.247 ( -7.238 0.280 -4.450) 8.502 14.469 ( 1.020 6.084 5.656) 8.370 14.519 ( -3.608 5.929 4.989) 8.548 14.925 ( 1.733 -6.758 16.366) 17.791 14.951 ( -1.095 -6.130 15.849) 17.028 15.476 ( 12.857 1.912 1.675) 13.105 15.531 ( 8.174 5.582 -4.085) 10.708 15.617 ( -2.588 7.146 0.660) 7.629 15.721 ( -10.488 0.261 -0.216) 10.494 15.962 ( 0.618 3.650 0.258) 3.711 16.018 ( -4.190 0.961 2.099) 4.784 16.404 ( 2.231 -0.597 -2.716) 3.565 16.450 ( -2.046 -0.158 -2.268) 3.059 16.833 ( 1.630 2.445 -1.230) 3.186 16.885 ( -3.470 4.725 2.695) 6.452 17.377 ( 20.652 -11.975 -5.009) 24.393 17.701 ( -13.794 -13.430 -5.569) 20.041 24.077 ( 5.908 1.483 1.772) 6.344 24.189 ( -5.604 1.181 1.881) 6.028 24.229 ( 4.442 -1.690 1.297) 4.927 24.301 ( -3.109 -0.917 1.889) 3.752 25.503 ( 0.513 0.983 7.214) 7.298 25.514 ( -0.648 0.400 7.505) 7.544 25.782 ( 2.504 -6.323 3.844) 7.812 25.834 ( -2.954 -7.271 4.051) 8.832 26.475 ( 5.673 1.559 0.747) 5.931 26.573 ( 1.034 -2.744 1.928) 3.510 26.605 ( -1.802 -0.133 -0.300) 1.831 26.680 ( -4.132 -3.881 2.259) 6.102 27.504 ( 6.070 21.912 -2.520) 22.876 27.652 ( -9.606 22.672 -2.184) 24.720 28.429 ( 7.608 -0.781 -6.091) 9.777 28.589 ( -9.219 -0.250 -6.963) 11.556 ======================= Grid point 60 (25/90) ======================= q-point: ( 0.00 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.000 17.673 -0.416) 17.678 1.734 ( 0.000 15.036 2.270) 15.207 1.957 ( 0.000 9.029 3.417) 9.654 2.034 ( 0.000 0.134 3.602) 3.605 2.315 ( 0.000 -2.378 -1.402) 2.761 2.383 ( 0.000 8.520 1.379) 8.630 2.548 ( 0.000 -11.567 -3.858) 12.194 2.744 ( 0.000 -5.999 -4.242) 7.347 3.530 ( 0.000 16.655 1.127) 16.693 3.577 ( 0.000 9.356 -3.083) 9.851 3.678 ( 0.000 26.871 2.409) 26.979 3.760 ( 0.000 14.552 2.171) 14.713 4.158 ( 0.000 12.621 2.488) 12.864 4.413 ( 0.000 -9.281 5.626) 10.853 4.756 ( 0.000 1.993 -0.780) 2.140 4.897 ( 0.000 -4.987 2.054) 5.394 5.516 ( 0.000 15.096 5.098) 15.934 5.624 ( 0.000 10.901 4.052) 11.630 5.743 ( 0.000 16.126 -7.841) 17.932 5.858 ( 0.000 -6.309 0.079) 6.309 6.173 ( 0.000 3.753 11.676) 12.264 6.264 ( 0.000 25.576 -0.613) 25.583 6.388 ( 0.000 -11.901 -7.758) 14.206 6.770 ( 0.000 -2.378 0.597) 2.452 6.954 ( 0.000 -19.348 -0.163) 19.349 7.142 ( 0.000 -10.396 -9.442) 14.044 7.514 ( 0.000 14.777 -3.015) 15.081 7.898 ( 0.000 0.597 -7.563) 7.586 8.849 ( 0.000 4.536 -4.395) 6.316 9.045 ( 0.000 -1.375 -2.871) 3.183 9.082 ( 0.000 -2.343 0.793) 2.473 9.178 ( 0.000 -9.888 -2.602) 10.224 9.682 ( 0.000 -1.430 1.240) 1.893 9.727 ( 0.000 -6.693 0.214) 6.696 9.869 ( 0.000 13.233 -4.106) 13.855 10.537 ( 0.000 -18.399 -2.543) 18.574 11.109 ( 0.000 -5.088 -1.375) 5.271 11.131 ( 0.000 -1.926 -2.433) 3.103 11.218 ( 0.000 2.091 -5.274) 5.673 11.363 ( 0.000 -6.488 -5.375) 8.425 11.378 ( 0.000 1.542 -10.746) 10.856 11.514 ( 0.000 -4.247 3.281) 5.367 11.825 ( 0.000 -7.281 0.226) 7.285 11.875 ( 0.000 -8.345 -11.016) 13.820 11.998 ( 0.000 4.176 4.993) 6.509 12.201 ( 0.000 -4.220 -3.888) 5.738 12.390 ( 0.000 -2.344 -1.693) 2.891 12.428 ( 0.000 -2.827 -0.241) 2.837 12.438 ( 0.000 -0.093 1.778) 1.781 12.461 ( 0.000 -1.307 3.569) 3.801 12.640 ( 0.000 2.412 3.293) 4.082 12.764 ( 0.000 -0.476 1.796) 1.858 12.807 ( 0.000 -3.550 7.671) 8.452 12.863 ( 0.000 -2.827 10.151) 10.538 13.052 ( 0.000 5.677 -3.334) 6.583 13.168 ( 0.000 -0.657 -4.758) 4.803 13.316 ( 0.000 -0.721 -2.668) 2.764 13.337 ( 0.000 -0.620 -2.166) 2.253 13.614 ( 0.000 2.240 5.125) 5.593 13.708 ( 0.000 -1.841 6.723) 6.971 13.796 ( 0.000 6.329 -1.886) 6.604 14.001 ( 0.000 -3.381 -1.207) 3.591 14.395 ( 0.000 4.967 -1.270) 5.127 14.525 ( 0.000 -0.496 -5.607) 5.629 14.559 ( 0.000 4.112 7.668) 8.701 14.690 ( 0.000 -3.105 14.200) 14.536 14.748 ( 0.000 0.543 6.791) 6.812 14.883 ( 0.000 -4.830 6.289) 7.930 15.191 ( 0.000 2.898 4.719) 5.538 15.263 ( 0.000 0.800 0.584) 0.991 15.812 ( 0.000 10.741 -5.205) 11.936 15.959 ( 0.000 1.917 0.967) 2.147 16.061 ( 0.000 -0.675 2.348) 2.443 16.083 ( 0.000 1.559 -3.911) 4.210 16.407 ( 0.000 -4.668 0.853) 4.745 16.420 ( 0.000 -5.842 5.498) 8.023 16.679 ( 0.000 6.144 -5.730) 8.401 16.843 ( 0.000 -1.791 -7.228) 7.447 17.194 ( 0.000 11.671 6.014) 13.129 17.696 ( 0.000 -13.620 -0.726) 13.640 23.983 ( 0.000 2.101 1.449) 2.552 24.066 ( 0.000 -1.969 1.142) 2.276 24.329 ( 0.000 0.809 2.074) 2.226 24.353 ( 0.000 -0.180 2.450) 2.457 25.522 ( 0.000 1.892 5.393) 5.715 25.561 ( 0.000 3.205 7.033) 7.728 25.648 ( 0.000 -4.254 3.567) 5.552 25.762 ( 0.000 -7.004 5.290) 8.778 26.398 ( 0.000 1.512 -1.426) 2.078 26.427 ( 0.000 -0.737 -2.335) 2.449 26.655 ( 0.000 -3.516 5.759) 6.747 26.674 ( 0.000 -3.381 6.457) 7.289 27.767 ( 0.000 17.036 -6.139) 18.109 28.152 ( 0.000 1.843 -9.785) 9.957 28.318 ( 0.000 9.285 -1.580) 9.419 28.752 ( 0.000 -7.588 -7.246) 10.492 ======================= Grid point 61 (26/90) ======================= q-point: ( 0.20 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -4.221 17.143 1.160) 17.693 1.777 ( 2.103 7.273 1.862) 7.796 1.887 ( -4.681 14.388 7.936) 17.085 2.064 ( 2.403 -1.081 -0.683) 2.722 2.256 ( -5.951 -3.726 -0.471) 7.036 2.342 ( -4.168 9.099 0.714) 10.034 2.565 ( 1.863 -11.225 -3.477) 11.898 2.729 ( -1.681 -6.792 -3.789) 7.957 3.542 ( 1.374 17.575 0.907) 17.652 3.623 ( 2.815 12.289 -1.531) 12.700 3.675 ( 0.669 20.503 -0.150) 20.515 3.775 ( 0.897 14.422 1.219) 14.502 4.193 ( 4.708 11.910 3.407) 13.252 4.493 ( 7.840 -8.464 4.909) 12.538 4.686 ( -6.444 3.614 0.626) 7.414 4.912 ( -0.102 -7.155 1.081) 7.237 5.503 ( -0.547 15.168 3.364) 15.546 5.606 ( -1.356 13.322 3.662) 13.883 5.784 ( 3.929 19.181 -5.481) 20.332 5.901 ( 2.505 -3.408 -1.581) 4.516 6.116 ( -4.464 0.219 5.692) 7.237 6.229 ( -1.997 21.850 3.058) 22.153 6.476 ( 7.242 -10.233 -2.782) 12.841 6.805 ( 2.035 -1.680 1.553) 3.062 7.005 ( 5.436 -16.316 -3.587) 17.568 7.134 ( 0.401 -8.256 -7.963) 11.478 7.405 ( -10.228 12.681 -3.019) 16.569 7.802 ( -9.800 -0.592 -7.029) 12.075 8.862 ( 1.282 4.023 -4.353) 6.065 9.029 ( -2.479 -1.249 -2.471) 3.716 9.072 ( -0.080 -3.047 0.438) 3.079 9.167 ( -1.265 -9.251 -2.342) 9.626 9.649 ( 0.844 2.411 1.355) 2.891 9.843 ( 1.455 6.209 -3.491) 7.270 9.888 ( 7.958 -4.412 -2.225) 9.367 10.484 ( -5.750 -17.883 -3.418) 19.093 11.060 ( -2.444 -2.475 -1.231) 3.690 11.161 ( 0.933 -3.451 -2.293) 4.247 11.189 ( -2.310 1.522 -3.967) 4.836 11.337 ( -1.374 -4.996 -5.160) 7.313 11.467 ( 6.438 -1.810 -8.691) 10.966 11.535 ( 2.024 -3.436 1.062) 4.127 11.800 ( -1.477 -7.454 0.822) 7.643 11.914 ( 2.753 -7.259 -7.813) 11.014 11.991 ( 0.523 2.981 -0.326) 3.044 12.189 ( -0.764 -4.617 -4.407) 6.429 12.357 ( -3.401 0.611 -1.821) 3.906 12.417 ( -2.410 -2.197 -1.626) 3.644 12.441 ( 1.118 0.367 2.634) 2.885 12.481 ( 2.366 -2.755 4.203) 5.555 12.631 ( -1.076 3.831 4.453) 5.972 12.756 ( -2.893 1.446 2.401) 4.028 12.791 ( -0.184 -2.894 4.336) 5.216 12.893 ( 3.114 -5.405 9.813) 11.628 12.980 ( -5.136 3.981 3.068) 7.186 13.139 ( -4.845 -2.973 0.155) 5.687 13.342 ( 4.364 1.138 -5.848) 7.385 13.383 ( 4.662 -0.439 -3.668) 5.949 13.614 ( -1.375 3.236 4.140) 5.431 13.700 ( -1.715 0.353 4.384) 4.720 13.858 ( 6.406 2.660 0.885) 6.993 14.002 ( 0.862 -3.342 -3.146) 4.670 14.342 ( -8.937 3.235 -3.760) 10.221 14.386 ( -7.936 2.385 -2.469) 8.646 14.566 ( 0.246 4.290 7.758) 8.869 14.650 ( -1.566 1.981 8.216) 8.596 14.783 ( 1.536 -3.755 12.736) 13.367 14.853 ( -1.719 -6.194 10.892) 12.647 15.303 ( 10.176 3.625 1.343) 10.885 15.403 ( 11.267 0.174 -1.286) 11.341 15.803 ( -1.460 8.525 -4.435) 9.719 15.898 ( -6.442 0.874 0.480) 6.518 16.040 ( -0.751 2.623 -0.010) 2.728 16.099 ( 0.479 2.841 -1.033) 3.061 16.360 ( -2.491 -3.736 -1.340) 4.686 16.422 ( -0.290 -4.676 0.501) 4.712 16.801 ( 7.547 1.405 -1.577) 7.837 16.898 ( 8.601 -1.346 -5.195) 10.138 17.153 ( -4.064 10.534 5.627) 12.615 17.634 ( -6.619 -13.401 -0.812) 14.969 24.020 ( 3.743 2.107 1.507) 4.552 24.105 ( 3.859 -2.097 1.191) 4.550 24.298 ( -3.160 1.124 2.029) 3.920 24.335 ( -1.945 -0.570 2.266) 3.040 25.524 ( 0.305 1.937 5.472) 5.813 25.556 ( -0.519 2.993 6.778) 7.428 25.653 ( 0.621 -4.450 3.708) 5.826 25.745 ( -1.711 -6.661 5.031) 8.521 26.425 ( 2.742 1.342 -0.779) 3.151 26.459 ( 3.185 -1.141 -1.426) 3.672 26.634 ( -2.123 -2.808 4.960) 6.083 26.659 ( -1.628 -3.312 5.462) 6.592 27.799 ( 3.522 17.480 -5.502) 18.661 28.156 ( -1.539 9.835 -8.278) 12.947 28.295 ( -0.289 1.814 -2.649) 3.223 28.685 ( -6.721 -6.863 -6.912) 11.834 ======================= Grid point 62 (27/90) ======================= q-point: ( 0.40 0.38 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( 0.918 13.049 4.662) 13.887 1.695 ( -6.986 8.853 6.960) 13.252 1.939 ( 7.475 5.683 1.973) 9.595 2.084 ( -5.308 -1.671 -0.592) 5.596 2.155 ( 1.090 1.224 0.393) 1.685 2.243 ( -5.834 7.590 0.331) 9.579 2.616 ( 3.390 -10.103 -3.223) 11.133 2.681 ( -3.281 -8.432 -3.322) 9.638 3.578 ( 2.248 18.759 0.631) 18.903 3.618 ( -1.877 19.442 0.887) 19.553 3.729 ( 3.312 11.570 -2.524) 12.297 3.773 ( -1.287 12.445 -0.796) 12.537 4.341 ( 10.248 9.308 3.215) 14.213 4.534 ( -9.603 6.231 1.902) 11.604 4.674 ( 10.601 -8.927 3.442) 14.280 4.849 ( -6.977 -9.565 1.773) 11.971 5.523 ( 2.662 16.540 2.114) 16.885 5.575 ( -2.260 15.842 3.081) 16.296 5.859 ( 3.086 19.098 -5.272) 20.051 5.904 ( -1.787 7.152 -4.346) 8.558 6.086 ( 2.527 2.380 5.447) 6.460 6.173 ( -4.675 12.500 5.490) 14.431 6.639 ( 9.586 -9.249 0.838) 13.347 6.785 ( -4.812 -4.698 2.380) 7.134 7.077 ( 3.189 -4.813 -8.368) 10.166 7.196 ( -8.716 4.894 -5.272) 11.301 7.280 ( 12.799 -5.715 -3.764) 14.513 7.561 ( -15.110 -3.134 -5.681) 16.444 8.896 ( 2.475 2.601 -3.670) 5.134 8.959 ( -4.123 0.407 -2.359) 4.767 9.093 ( 1.931 -5.062 -0.699) 5.463 9.133 ( -2.161 -7.383 -1.331) 7.807 9.710 ( 4.853 6.226 -0.454) 7.907 9.800 ( -4.109 9.156 -2.442) 10.329 10.103 ( 12.528 -13.933 -4.108) 19.183 10.326 ( -10.741 -16.411 -4.483) 20.119 11.048 ( 1.427 0.011 -1.542) 2.102 11.105 ( -4.114 2.322 -2.416) 5.306 11.217 ( 3.289 -6.608 -1.104) 7.463 11.288 ( -3.755 -6.709 -1.855) 7.909 11.564 ( 2.873 -0.484 -6.060) 6.724 11.576 ( 1.663 -1.132 -4.389) 4.828 11.803 ( 2.930 -9.875 -0.800) 10.331 11.895 ( -4.978 -12.138 -4.886) 14.000 12.086 ( 9.090 4.801 -4.210) 11.109 12.221 ( 4.741 -1.982 -3.539) 6.240 12.253 ( -7.585 2.673 -2.793) 8.514 12.336 ( -6.139 -1.308 -2.364) 6.708 12.494 ( 4.254 1.451 3.411) 5.642 12.544 ( 4.207 -1.324 3.194) 5.446 12.584 ( -4.262 3.554 5.161) 7.578 12.641 ( -6.757 1.353 1.137) 6.984 12.831 ( 3.501 -1.196 4.046) 5.483 12.899 ( -3.239 0.335 7.581) 8.251 12.967 ( 3.282 -6.542 9.461) 11.962 13.036 ( -4.739 -4.413 5.017) 8.191 13.438 ( 5.084 3.105 -3.992) 7.171 13.487 ( 3.900 2.029 -2.451) 5.033 13.562 ( -1.789 1.607 -1.483) 2.825 13.633 ( -5.131 -0.189 0.326) 5.145 13.996 ( 7.072 1.207 1.242) 7.281 14.068 ( 6.576 -1.570 -3.266) 7.508 14.144 ( -8.767 2.857 -1.035) 9.278 14.239 ( -9.166 -1.123 -2.386) 9.538 14.589 ( 1.986 6.195 8.077) 10.372 14.625 ( -1.572 4.918 6.719) 8.474 14.808 ( 1.312 -5.280 13.550) 14.601 14.830 ( -1.055 -6.158 13.055) 14.473 15.518 ( 12.044 2.812 -0.324) 12.372 15.601 ( 9.231 0.775 -2.696) 9.647 15.733 ( -9.446 2.194 1.422) 9.802 15.743 ( -6.519 2.615 -5.203) 8.741 16.048 ( 1.591 6.327 -0.112) 6.525 16.086 ( -1.852 6.574 0.125) 6.831 16.354 ( 1.748 -5.023 -4.618) 7.043 16.398 ( -2.215 -5.359 -3.060) 6.557 16.906 ( 5.808 5.293 1.015) 7.923 17.021 ( -5.093 8.721 3.320) 10.631 17.187 ( 14.327 -7.958 -0.730) 16.405 17.453 ( -12.523 -12.206 -0.957) 17.514 24.112 ( 5.684 2.001 1.657) 6.249 24.192 ( 4.981 -1.936 1.430) 5.532 24.218 ( -5.190 1.587 1.860) 5.737 24.280 ( -3.971 -1.337 1.865) 4.586 25.532 ( 0.540 2.134 5.743) 6.151 25.544 ( -0.666 2.534 6.231) 6.759 25.673 ( 1.467 -5.036 4.066) 6.636 25.707 ( -2.107 -5.874 4.535) 7.715 26.492 ( 4.096 0.624 0.991) 4.260 26.528 ( 3.196 -1.616 1.132) 3.756 26.582 ( -2.768 -1.542 2.574) 4.082 26.613 ( -3.232 -3.022 3.069) 5.385 27.899 ( 7.074 18.284 -4.337) 20.079 28.049 ( -8.269 18.049 -4.334) 20.321 28.371 ( 7.287 -5.574 -5.995) 10.960 28.530 ( -9.080 -6.065 -6.489) 12.702 ======================= Grid point 65 (28/90) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 0.000 -1.250 -2.855) 3.117 1.856 ( 0.000 1.250 -2.855) 3.117 2.160 ( 0.000 -10.287 4.743) 11.328 2.160 ( 0.000 10.287 4.743) 11.328 2.265 ( 0.000 -16.907 -0.526) 16.915 2.265 ( 0.000 16.907 -0.526) 16.915 2.586 ( 0.000 -9.944 -2.842) 10.342 2.586 ( 0.000 9.944 -2.842) 10.342 3.691 ( 0.000 -0.536 -3.333) 3.376 3.691 ( 0.000 0.536 -3.333) 3.376 3.899 ( 0.000 -0.350 3.837) 3.853 3.899 ( 0.000 0.350 3.837) 3.853 4.318 ( 0.000 -3.621 2.118) 4.195 4.318 ( 0.000 3.621 2.118) 4.195 4.812 ( 0.000 -3.739 -0.160) 3.743 4.812 ( 0.000 3.739 -0.160) 3.743 5.722 ( 0.000 -7.362 0.003) 7.362 5.722 ( 0.000 7.362 0.003) 7.362 5.935 ( 0.000 -12.051 8.127) 14.535 5.935 ( 0.000 12.051 8.127) 14.535 6.135 ( 0.000 -8.620 -3.025) 9.135 6.135 ( 0.000 8.620 -3.025) 9.135 6.699 ( 0.000 -8.690 -2.087) 8.938 6.699 ( 0.000 8.690 -2.087) 8.938 6.827 ( 0.000 -14.532 -0.601) 14.545 6.827 ( 0.000 14.532 -0.601) 14.545 7.796 ( 0.000 -11.161 -8.331) 13.928 7.796 ( 0.000 11.161 -8.331) 13.928 8.974 ( 0.000 -7.319 -5.485) 9.147 8.974 ( 0.000 7.319 -5.485) 9.147 9.059 ( 0.000 -0.594 1.862) 1.954 9.059 ( 0.000 0.594 1.862) 1.954 9.660 ( 0.000 -0.340 2.928) 2.948 9.660 ( 0.000 0.340 2.928) 2.948 10.173 ( 0.000 -18.045 -3.062) 18.303 10.173 ( 0.000 18.045 -3.062) 18.303 11.084 ( 0.000 -1.801 -3.262) 3.726 11.084 ( 0.000 1.801 -3.262) 3.726 11.259 ( 0.000 -3.803 -4.962) 6.252 11.259 ( 0.000 3.803 -4.962) 6.252 11.453 ( 0.000 -3.123 -2.310) 3.885 11.453 ( 0.000 3.123 -2.310) 3.885 11.753 ( 0.000 -2.348 -6.816) 7.209 11.753 ( 0.000 2.348 -6.816) 7.209 12.102 ( 0.000 -5.636 -2.626) 6.218 12.102 ( 0.000 5.636 -2.626) 6.218 12.383 ( 0.000 -1.415 0.262) 1.439 12.383 ( 0.000 1.415 0.262) 1.439 12.446 ( 0.000 -0.485 2.097) 2.152 12.446 ( 0.000 0.485 2.097) 2.152 12.701 ( 0.000 -3.907 3.857) 5.490 12.701 ( 0.000 3.907 3.857) 5.490 12.814 ( 0.000 -2.151 8.434) 8.704 12.814 ( 0.000 2.151 8.434) 8.704 13.138 ( 0.000 -2.889 -3.327) 4.406 13.138 ( 0.000 2.889 -3.327) 4.406 13.319 ( 0.000 -0.861 -3.219) 3.332 13.319 ( 0.000 0.861 -3.219) 3.332 13.662 ( 0.000 -2.639 6.026) 6.578 13.662 ( 0.000 2.639 6.026) 6.578 13.914 ( 0.000 -5.526 -1.562) 5.743 13.914 ( 0.000 5.526 -1.562) 5.743 14.482 ( 0.000 -3.697 -3.630) 5.181 14.482 ( 0.000 3.697 -3.630) 5.181 14.629 ( 0.000 -3.261 13.323) 13.717 14.629 ( 0.000 3.261 13.323) 13.717 14.793 ( 0.000 -3.967 5.078) 6.443 14.793 ( 0.000 3.967 5.078) 6.443 15.246 ( 0.000 -2.280 1.898) 2.967 15.246 ( 0.000 2.280 1.898) 2.967 15.950 ( 0.000 -3.179 -2.740) 4.196 15.950 ( 0.000 3.179 -2.740) 4.196 16.090 ( 0.000 -1.891 -4.073) 4.490 16.090 ( 0.000 1.891 -4.073) 4.490 16.348 ( 0.000 -0.375 6.426) 6.437 16.348 ( 0.000 0.375 6.426) 6.437 16.783 ( 0.000 -4.368 -6.395) 7.744 16.783 ( 0.000 4.368 -6.395) 7.744 17.436 ( 0.000 -13.133 3.141) 13.503 17.436 ( 0.000 13.133 3.141) 13.503 24.025 ( 0.000 -2.184 1.294) 2.539 24.025 ( 0.000 2.184 1.294) 2.539 24.344 ( 0.000 -0.679 2.250) 2.350 24.344 ( 0.000 0.679 2.250) 2.350 25.573 ( 0.000 -3.376 4.177) 5.370 25.573 ( 0.000 3.376 4.177) 5.370 25.643 ( 0.000 -5.250 6.146) 8.083 25.643 ( 0.000 5.250 6.146) 8.083 26.417 ( 0.000 -0.507 -2.604) 2.653 26.417 ( 0.000 0.507 -2.604) 2.653 26.628 ( 0.000 -0.831 7.346) 7.393 26.628 ( 0.000 0.831 7.346) 7.393 28.038 ( 0.000 -10.707 -7.432) 13.034 28.038 ( 0.000 10.707 -7.432) 13.034 28.559 ( 0.000 -12.157 -4.758) 13.055 28.559 ( 0.000 12.157 -4.758) 13.055 ======================= Grid point 67 (29/90) ======================= q-point: ( 0.20 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -1.843 -3.044 -1.513) 3.867 1.833 ( -1.843 3.044 -1.513) 3.867 2.079 ( -7.715 -10.488 4.307) 13.714 2.079 ( -7.715 10.488 4.307) 13.714 2.293 ( 3.047 -16.107 -0.596) 16.404 2.293 ( 3.047 16.107 -0.596) 16.404 2.557 ( -3.030 -10.592 -2.533) 11.304 2.557 ( -3.030 10.592 -2.533) 11.304 3.727 ( 3.392 -1.087 -2.780) 4.518 3.727 ( 3.392 1.087 -2.780) 4.518 3.884 ( -1.434 -2.419 2.646) 3.861 3.884 ( -1.434 2.419 2.646) 3.861 4.373 ( 5.719 -6.125 2.180) 8.659 4.373 ( 5.719 6.125 2.180) 8.659 4.782 ( -3.417 -6.044 0.167) 6.944 4.782 ( -3.417 6.044 0.167) 6.944 5.735 ( 1.772 -8.522 -0.996) 8.761 5.735 ( 1.772 8.522 -0.996) 8.761 5.950 ( -0.771 -15.174 7.772) 17.066 5.950 ( -0.771 15.174 7.772) 17.066 6.169 ( 5.625 -18.900 -3.005) 19.947 6.169 ( 5.625 18.900 -3.005) 19.947 6.663 ( -4.187 -18.119 0.506) 18.604 6.663 ( -4.187 18.119 0.506) 18.604 6.904 ( 8.215 -10.479 -2.459) 13.541 6.904 ( 8.215 10.479 -2.459) 13.541 7.683 ( -11.377 -11.774 -7.292) 17.924 7.683 ( -11.377 11.774 -7.292) 17.924 8.981 ( 0.518 -6.962 -4.762) 8.451 8.981 ( 0.518 6.962 -4.762) 8.451 9.037 ( -1.938 -1.073 1.391) 2.615 9.037 ( -1.938 1.073 1.391) 2.615 9.719 ( 5.960 -5.571 1.331) 8.266 9.719 ( 5.960 5.571 1.331) 8.266 10.136 ( -4.001 -16.925 -3.199) 17.684 10.136 ( -4.001 16.925 -3.199) 17.684 11.075 ( -0.140 -3.555 -2.254) 4.212 11.075 ( -0.140 3.555 -2.254) 4.212 11.245 ( -2.256 -4.111 -3.003) 5.569 11.245 ( -2.256 4.111 -3.003) 5.569 11.490 ( 4.146 -1.961 -4.799) 6.638 11.490 ( 4.146 1.961 -4.799) 6.638 11.761 ( -0.335 -4.549 -5.781) 7.364 11.761 ( -0.335 4.549 -5.781) 7.364 12.092 ( 0.565 -5.447 -4.164) 6.879 12.092 ( 0.565 5.447 -4.164) 6.879 12.378 ( -1.732 -1.615 -1.477) 2.792 12.378 ( -1.732 1.615 -1.477) 2.792 12.451 ( 1.551 -0.742 3.870) 4.235 12.451 ( 1.551 0.742 3.870) 4.235 12.714 ( -0.122 -4.519 5.539) 7.149 12.714 ( -0.122 4.519 5.539) 7.149 12.805 ( 0.052 -3.365 5.992) 6.872 12.805 ( 0.052 3.365 5.992) 6.872 13.069 ( -6.451 -4.311 1.264) 7.862 13.069 ( -6.451 4.311 1.264) 7.862 13.366 ( 5.137 -1.194 -5.002) 7.269 13.366 ( 5.137 1.194 -5.002) 7.269 13.673 ( -0.674 -2.626 5.186) 5.852 13.673 ( -0.674 2.626 5.186) 5.852 13.927 ( 2.514 -4.101 -1.991) 5.206 13.927 ( 2.514 4.101 -1.991) 5.206 14.391 ( -8.817 -1.524 -3.242) 9.517 14.391 ( -8.817 1.524 -3.242) 9.517 14.652 ( 2.160 -3.006 12.386) 12.928 14.652 ( 2.160 3.006 12.386) 12.928 14.756 ( -2.126 -2.274 7.749) 8.351 14.756 ( -2.126 2.274 7.749) 8.351 15.371 ( 10.656 -2.998 -0.108) 11.070 15.371 ( 10.656 2.998 -0.108) 11.070 15.894 ( -5.602 -1.596 -1.994) 6.157 15.894 ( -5.602 1.596 -1.994) 6.157 16.119 ( 2.933 -3.122 -4.637) 6.312 16.119 ( 2.933 3.122 -4.637) 6.312 16.329 ( -2.116 -2.769 3.267) 4.777 16.329 ( -2.116 2.769 3.267) 4.777 16.852 ( 7.153 -3.074 -3.417) 8.502 16.852 ( 7.153 3.074 -3.417) 8.502 17.381 ( -5.785 -12.645 2.975) 14.220 17.381 ( -5.785 12.645 2.975) 14.220 24.062 ( 3.764 -2.241 1.354) 4.585 24.062 ( 3.764 2.241 1.354) 4.585 24.320 ( -2.599 -1.027 2.130) 3.514 24.320 ( -2.599 1.027 2.130) 3.514 25.576 ( 0.394 -3.414 4.303) 5.507 25.576 ( 0.394 3.414 4.303) 5.507 25.632 ( -1.049 -4.917 5.866) 7.726 25.632 ( -1.049 4.917 5.866) 7.726 26.443 ( 2.676 -0.668 -1.707) 3.243 26.443 ( 2.676 0.668 -1.707) 3.243 26.615 ( -1.501 -0.890 6.318) 6.555 26.615 ( -1.501 0.890 6.318) 6.555 28.078 ( 4.244 -11.018 -6.940) 13.696 28.078 ( 4.244 11.018 -6.940) 13.696 28.499 ( -6.076 -12.018 -4.760) 14.283 28.499 ( -6.076 12.018 -4.760) 14.283 ======================= Grid point 69 (30/90) ======================= q-point: ( 0.40 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.976 -7.978 1.312) 8.323 1.825 ( 1.976 7.978 1.312) 8.323 1.921 ( -7.862 -10.434 3.390) 13.497 1.921 ( -7.862 10.434 3.390) 13.497 2.375 ( 5.355 -14.300 -1.213) 15.318 2.375 ( 5.355 14.300 -1.213) 15.318 2.478 ( -5.254 -12.240 -1.940) 13.461 2.478 ( -5.254 12.240 -1.940) 13.461 3.795 ( 3.427 -3.237 -1.402) 4.918 3.795 ( 3.427 3.237 -1.402) 4.918 3.849 ( -2.345 -3.571 0.465) 4.297 3.849 ( -2.345 3.571 0.465) 4.297 4.516 ( 8.932 -8.187 1.834) 12.254 4.516 ( 8.932 8.187 1.834) 12.254 4.678 ( -7.629 -8.192 1.019) 11.241 4.678 ( -7.629 8.192 1.019) 11.241 5.794 ( 4.375 -9.078 -0.981) 10.125 5.794 ( 4.375 9.078 -0.981) 10.125 5.886 ( -4.968 -10.288 2.085) 11.614 5.886 ( -4.968 10.288 2.085) 11.614 6.343 ( 11.209 -19.181 1.015) 22.239 6.343 ( 11.209 19.181 1.015) 22.239 6.539 ( -9.002 -19.394 1.938) 21.469 6.539 ( -9.002 19.394 1.938) 21.469 7.120 ( 14.337 -8.575 -3.714) 17.114 7.120 ( 14.337 8.575 -3.714) 17.114 7.413 ( -16.198 -11.590 -5.312) 20.614 7.413 ( -16.198 11.590 -5.312) 20.614 8.989 ( 0.452 -5.595 -2.738) 6.246 8.989 ( 0.452 5.595 -2.738) 6.246 9.004 ( -1.311 -3.159 -0.335) 3.437 9.004 ( -1.311 3.159 -0.335) 3.437 9.863 ( 8.792 -10.060 -1.367) 13.430 9.863 ( 8.792 10.060 -1.367) 13.430 10.024 ( -7.811 -13.939 -2.959) 16.250 10.024 ( -7.811 13.939 -2.959) 16.250 11.100 ( 2.979 -4.747 -0.952) 5.684 11.100 ( 2.979 4.747 -0.952) 5.684 11.176 ( -4.541 -4.683 -1.017) 6.602 11.176 ( -4.541 4.683 -1.017) 6.602 11.592 ( 6.253 -1.710 -6.780) 9.380 11.592 ( 6.253 1.710 -6.780) 9.380 11.705 ( -5.288 -4.532 -6.157) 9.296 11.705 ( -5.288 4.532 -6.157) 9.296 12.168 ( 6.889 -3.526 -4.116) 8.765 12.168 ( 6.889 3.526 -4.116) 8.765 12.300 ( -6.242 -2.214 -2.557) 7.100 12.300 ( -6.242 2.214 -2.557) 7.100 12.520 ( 5.553 -1.255 3.887) 6.894 12.520 ( 5.553 1.255 3.887) 6.894 12.642 ( -6.589 -1.743 4.309) 8.064 12.642 ( -6.589 1.743 4.309) 8.064 12.855 ( 4.469 -3.910 6.133) 8.537 12.855 ( 4.469 3.910 6.133) 8.537 12.949 ( -5.682 -4.045 5.783) 9.060 12.949 ( -5.682 4.045 5.783) 9.060 13.485 ( 6.898 -1.636 -4.101) 8.190 13.485 ( 6.898 1.636 -4.101) 8.190 13.607 ( -5.724 -2.320 0.182) 6.179 13.607 ( -5.724 2.320 0.182) 6.179 14.028 ( 7.863 -2.075 -0.447) 8.145 14.028 ( 7.863 2.075 -0.447) 8.145 14.202 ( -10.349 -2.691 -0.984) 10.738 14.202 ( -10.349 2.691 -0.984) 10.738 14.696 ( 2.226 -1.884 10.621) 11.014 14.696 ( 2.226 1.884 10.621) 11.014 14.729 ( -1.290 -0.978 9.259) 9.399 14.729 ( -1.290 0.978 9.259) 9.399 15.576 ( 10.565 -2.711 -1.436) 11.001 15.576 ( 10.565 2.711 -1.436) 11.001 15.757 ( -8.723 -0.865 -1.650) 8.920 15.757 ( -8.723 0.865 -1.650) 8.920 16.190 ( 4.357 -4.430 -4.016) 7.399 16.190 ( 4.357 4.430 -4.016) 7.399 16.270 ( -3.982 -4.541 -1.314) 6.181 16.270 ( -3.982 4.541 -1.314) 6.181 17.028 ( 10.887 -6.860 0.500) 12.878 17.028 ( 10.887 6.860 0.500) 12.878 17.230 ( -10.002 -10.777 2.325) 14.885 17.230 ( -10.002 10.777 2.325) 14.885 24.152 ( 5.429 -2.152 1.547) 6.041 24.152 ( 5.429 2.152 1.547) 6.041 24.250 ( -4.717 -1.675 1.845) 5.335 24.250 ( -4.717 1.675 1.845) 5.335 25.588 ( 0.892 -3.651 4.681) 6.003 25.588 ( 0.892 3.651 4.681) 6.003 25.609 ( -1.283 -4.219 5.262) 6.865 25.609 ( -1.283 4.219 5.262) 6.865 26.506 ( 3.742 -0.864 0.658) 3.896 26.506 ( 3.742 0.864 0.658) 3.896 26.572 ( -3.036 -0.925 3.708) 4.881 26.572 ( -3.036 0.925 3.708) 4.881 28.193 ( 7.761 -11.551 -5.871) 15.104 28.193 ( 7.761 11.551 -5.871) 15.104 28.353 ( -8.878 -11.835 -5.030) 15.627 28.353 ( -8.878 11.835 -5.030) 15.627 ======================= Grid point 90 (31/90) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 0.000 0.000 23.442) 23.442 1.214 ( 0.000 0.000 26.334) 26.334 2.107 ( 0.000 0.000 8.415) 8.415 2.110 ( 0.000 0.000 40.864) 40.864 2.156 ( 0.000 0.000 -9.339) 9.339 2.165 ( 0.000 0.000 3.571) 3.571 2.205 ( 0.000 0.000 8.398) 8.398 2.369 ( 0.000 0.000 -1.041) 1.041 2.522 ( 0.000 0.000 1.926) 1.926 2.619 ( 0.000 0.000 4.553) 4.553 2.844 ( 0.000 0.000 -8.887) 8.887 3.087 ( 0.000 0.000 -4.528) 4.528 3.930 ( 0.000 0.000 7.717) 7.717 4.517 ( 0.000 0.000 -1.741) 1.741 4.729 ( 0.000 0.000 -2.833) 2.833 4.983 ( 0.000 0.000 4.563) 4.563 5.152 ( 0.000 0.000 7.448) 7.448 5.245 ( 0.000 0.000 1.563) 1.563 5.365 ( 0.000 0.000 3.509) 3.509 5.934 ( 0.000 0.000 9.252) 9.252 6.063 ( 0.000 0.000 9.971) 9.971 6.067 ( 0.000 0.000 0.630) 0.630 6.228 ( 0.000 0.000 -8.745) 8.745 6.577 ( 0.000 0.000 -22.504) 22.504 7.016 ( 0.000 0.000 8.702) 8.702 7.087 ( 0.000 0.000 -31.351) 31.351 7.409 ( 0.000 0.000 -11.649) 11.649 7.758 ( 0.000 0.000 5.210) 5.210 8.794 ( 0.000 0.000 -7.695) 7.695 8.920 ( 0.000 0.000 -11.292) 11.292 9.147 ( 0.000 0.000 -5.691) 5.691 9.381 ( 0.000 0.000 -14.838) 14.838 9.426 ( 0.000 0.000 -8.966) 8.966 9.686 ( 0.000 0.000 12.129) 12.129 9.812 ( 0.000 0.000 -16.702) 16.702 10.634 ( 0.000 0.000 -7.564) 7.564 11.203 ( 0.000 0.000 -0.465) 0.465 11.341 ( 0.000 0.000 1.468) 1.468 11.461 ( 0.000 0.000 -0.140) 0.140 11.465 ( 0.000 0.000 -1.959) 1.959 11.755 ( 0.000 0.000 -2.127) 2.127 11.777 ( 0.000 0.000 7.331) 7.331 11.814 ( 0.000 0.000 1.499) 1.499 11.904 ( 0.000 0.000 -14.281) 14.281 12.211 ( 0.000 0.000 -5.918) 5.918 12.369 ( 0.000 0.000 -9.740) 9.740 12.421 ( 0.000 0.000 11.189) 11.189 12.474 ( 0.000 0.000 6.292) 6.292 12.500 ( 0.000 0.000 -3.282) 3.282 12.631 ( 0.000 0.000 9.592) 9.592 12.684 ( 0.000 0.000 -3.469) 3.469 12.725 ( 0.000 0.000 -0.896) 0.896 13.135 ( 0.000 0.000 7.617) 7.617 13.155 ( 0.000 0.000 5.801) 5.801 13.198 ( 0.000 0.000 -5.555) 5.555 13.310 ( 0.000 0.000 4.073) 4.073 13.329 ( 0.000 0.000 -2.368) 2.368 13.441 ( 0.000 0.000 -2.238) 2.238 13.492 ( 0.000 0.000 6.119) 6.119 13.593 ( 0.000 0.000 -0.328) 0.328 13.867 ( 0.000 0.000 -17.238) 17.238 14.118 ( 0.000 0.000 -7.220) 7.220 14.191 ( 0.000 0.000 5.337) 5.337 14.291 ( 0.000 0.000 4.767) 4.767 14.450 ( 0.000 0.000 6.417) 6.417 14.759 ( 0.000 0.000 10.333) 10.333 14.865 ( 0.000 0.000 7.388) 7.388 15.016 ( 0.000 0.000 -0.848) 0.848 15.414 ( 0.000 0.000 7.647) 7.647 15.424 ( 0.000 0.000 11.981) 11.981 15.506 ( 0.000 0.000 8.828) 8.828 15.814 ( 0.000 0.000 -0.776) 0.776 16.226 ( 0.000 0.000 11.116) 11.116 16.292 ( 0.000 0.000 -2.054) 2.054 16.300 ( 0.000 0.000 2.478) 2.478 16.482 ( 0.000 0.000 1.874) 1.874 16.553 ( 0.000 0.000 -1.038) 1.038 16.927 ( 0.000 0.000 2.550) 2.550 16.978 ( 0.000 0.000 3.020) 3.020 17.978 ( 0.000 0.000 -16.002) 16.002 23.963 ( 0.000 0.000 2.969) 2.969 24.152 ( 0.000 0.000 0.907) 0.907 24.353 ( 0.000 0.000 2.922) 2.922 24.415 ( 0.000 0.000 3.792) 3.792 25.669 ( 0.000 0.000 10.820) 10.820 25.932 ( 0.000 0.000 6.030) 6.030 26.028 ( 0.000 0.000 3.727) 3.727 26.171 ( 0.000 0.000 2.178) 2.178 26.233 ( 0.000 0.000 1.296) 1.296 26.275 ( 0.000 0.000 6.760) 6.760 26.672 ( 0.000 0.000 6.652) 6.652 26.844 ( 0.000 0.000 -1.583) 1.583 26.944 ( 0.000 0.000 -2.754) 2.754 27.358 ( 0.000 0.000 -6.996) 6.996 28.163 ( 0.000 0.000 -5.307) 5.307 28.592 ( 0.000 0.000 -5.621) 5.621 ======================= Grid point 91 (32/90) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 13.428 0.000 19.525) 23.697 1.324 ( 10.925 0.000 23.007) 25.469 1.964 ( -10.488 0.000 11.921) 15.877 2.011 ( -7.682 0.000 8.790) 11.674 2.234 ( 4.506 0.000 3.333) 5.605 2.237 ( 6.953 0.000 25.044) 25.991 2.274 ( 3.524 0.000 -1.134) 3.702 2.368 ( -0.214 0.000 -0.669) 0.702 2.527 ( -0.167 0.000 3.934) 3.938 2.609 ( 0.308 0.000 1.389) 1.422 2.882 ( 3.739 0.000 -7.396) 8.287 3.078 ( -1.051 0.000 -4.046) 4.181 4.045 ( 11.651 0.000 7.646) 13.936 4.521 ( 1.163 0.000 -0.822) 1.424 4.790 ( 5.387 0.000 -3.630) 6.496 4.967 ( -4.918 0.000 6.719) 8.327 4.981 ( -11.340 0.000 6.915) 13.282 5.271 ( -3.890 0.000 6.921) 7.939 5.279 ( -2.585 0.000 4.529) 5.215 5.865 ( -7.884 0.000 7.725) 11.038 5.998 ( -4.667 0.000 3.740) 5.980 6.063 ( 3.772 0.000 -8.991) 9.750 6.207 ( -5.151 0.000 1.035) 5.254 6.799 ( 17.716 0.000 -17.111) 24.630 6.891 ( -14.540 0.000 -24.219) 28.248 7.059 ( 6.297 0.000 6.195) 8.833 7.498 ( 4.271 0.000 -16.678) 17.216 7.698 ( -6.573 0.000 3.766) 7.575 8.828 ( 3.197 0.000 -8.128) 8.734 8.927 ( 0.481 0.000 -11.075) 11.085 9.163 ( 1.894 0.000 -6.133) 6.419 9.277 ( -7.869 0.000 -13.071) 15.257 9.394 ( -3.364 0.000 -8.940) 9.552 9.500 ( -13.621 0.000 8.286) 15.943 10.008 ( 14.801 0.000 -16.987) 22.531 10.694 ( 1.667 0.000 -10.091) 10.227 11.196 ( 1.612 0.000 2.487) 2.964 11.445 ( -1.641 0.000 0.859) 1.852 11.450 ( 11.108 0.000 0.834) 11.139 11.471 ( 1.368 0.000 -0.248) 1.390 11.737 ( -2.074 0.000 0.265) 2.091 11.770 ( 0.413 0.000 -0.275) 0.496 11.852 ( 1.521 0.000 6.144) 6.330 11.936 ( 3.108 0.000 -12.994) 13.360 12.156 ( -5.461 0.000 -6.393) 8.407 12.342 ( -3.403 0.000 -9.682) 10.262 12.397 ( -0.893 0.000 11.688) 11.722 12.515 ( 3.008 0.000 5.451) 6.225 12.526 ( 1.305 0.000 -2.388) 2.721 12.591 ( -3.876 0.000 8.583) 9.417 12.649 ( -4.112 0.000 -4.355) 5.990 12.696 ( -2.557 0.000 0.600) 2.626 13.000 ( -7.122 0.000 7.626) 10.435 13.202 ( 4.235 0.000 5.669) 7.076 13.224 ( -0.235 0.000 -3.474) 3.482 13.283 ( -2.049 0.000 0.329) 2.075 13.312 ( 0.222 0.000 4.189) 4.195 13.434 ( -0.562 0.000 -2.137) 2.209 13.549 ( -4.405 0.000 3.781) 5.805 13.561 ( -3.234 0.000 -0.102) 3.235 13.709 ( 0.796 0.000 -4.770) 4.836 14.108 ( -2.560 0.000 -5.335) 5.917 14.199 ( 0.823 0.000 5.163) 5.228 14.280 ( -1.086 0.000 4.720) 4.843 14.423 ( -3.378 0.000 5.155) 6.164 14.562 ( -11.638 0.000 4.599) 12.514 15.009 ( 9.826 0.000 2.883) 10.240 15.251 ( 12.009 0.000 1.765) 12.138 15.432 ( 2.510 0.000 15.043) 15.251 15.474 ( 6.272 0.000 6.226) 8.837 15.581 ( 7.565 0.000 7.889) 10.930 15.800 ( -1.641 0.000 1.851) 2.473 16.144 ( -8.582 0.000 10.062) 13.225 16.163 ( -8.625 0.000 1.624) 8.777 16.379 ( 3.465 0.000 -0.375) 3.485 16.480 ( -0.361 0.000 1.483) 1.527 16.578 ( 3.001 0.000 -4.082) 5.067 16.889 ( -3.938 0.000 1.890) 4.368 17.152 ( 16.387 0.000 -4.014) 16.871 17.925 ( -5.728 0.000 -16.064) 17.055 24.002 ( 3.981 0.000 3.055) 5.018 24.201 ( 4.531 0.000 0.532) 4.563 24.316 ( -3.823 0.000 3.157) 4.958 24.405 ( -1.304 0.000 3.297) 3.546 25.677 ( 0.935 0.000 10.855) 10.895 25.839 ( -5.508 0.000 8.701) 10.298 26.142 ( 7.303 0.000 1.098) 7.386 26.177 ( 0.559 0.000 2.105) 2.178 26.227 ( -0.676 0.000 1.395) 1.550 26.282 ( 0.605 0.000 6.126) 6.156 26.689 ( 2.425 0.000 6.624) 7.054 26.854 ( 1.049 0.000 -1.709) 2.005 26.935 ( -0.930 0.000 -2.652) 2.810 27.240 ( -11.318 0.000 -2.308) 11.551 28.202 ( 4.014 0.000 -5.512) 6.819 28.539 ( -5.048 0.000 -5.322) 7.335 ======================= Grid point 92 (33/90) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.532 ( 13.506 0.000 15.338) 20.436 1.574 ( 14.492 0.000 16.819) 22.202 1.761 ( -11.223 0.000 12.790) 17.016 1.827 ( -12.021 0.000 11.785) 16.834 2.310 ( 3.345 0.000 1.657) 3.733 2.321 ( 1.786 0.000 2.287) 2.902 2.332 ( 1.551 0.000 10.276) 10.393 2.354 ( -1.424 0.000 0.274) 1.450 2.550 ( 3.625 0.000 3.817) 5.264 2.612 ( -1.508 0.000 1.004) 1.812 2.967 ( 4.756 0.000 -4.546) 6.579 3.041 ( -2.997 0.000 -3.572) 4.662 4.340 ( 19.262 0.000 10.125) 21.761 4.583 ( 5.795 0.000 0.995) 5.880 4.717 ( -19.226 0.000 11.226) 22.263 4.735 ( -9.904 0.000 1.260) 9.983 4.967 ( 8.826 0.000 2.764) 9.249 5.149 ( -9.653 0.000 3.351) 10.218 5.374 ( 12.620 0.000 5.958) 13.956 5.646 ( -14.614 0.000 5.704) 15.688 5.953 ( 0.987 0.000 4.838) 4.938 6.050 ( -8.829 0.000 6.419) 10.916 6.244 ( 14.312 0.000 -15.884) 21.381 6.554 ( -17.950 0.000 -20.150) 26.986 7.192 ( 19.511 0.000 -14.574) 24.353 7.259 ( 13.708 0.000 3.051) 14.043 7.467 ( -8.545 0.000 -16.660) 18.723 7.515 ( -12.543 0.000 2.460) 12.782 8.889 ( 2.843 0.000 -9.159) 9.590 8.925 ( -0.946 0.000 -10.341) 10.384 9.183 ( -0.687 0.000 -6.798) 6.832 9.221 ( 4.199 0.000 -7.250) 8.378 9.270 ( -9.530 0.000 0.634) 9.551 9.311 ( -5.089 0.000 -8.394) 9.816 10.304 ( 16.188 0.000 -17.180) 23.605 10.582 ( -12.346 0.000 -15.308) 19.666 11.300 ( 7.073 0.000 4.951) 8.634 11.398 ( -3.533 0.000 2.206) 4.165 11.541 ( 6.452 0.000 2.142) 6.798 11.671 ( -5.605 0.000 1.271) 5.748 11.713 ( 15.388 0.000 -1.781) 15.491 11.789 ( 1.661 0.000 0.658) 1.787 11.834 ( -2.781 0.000 4.910) 5.643 11.954 ( -7.303 0.000 -6.449) 9.743 12.074 ( 2.657 0.000 -9.452) 9.818 12.214 ( -9.492 0.000 -9.176) 13.202 12.418 ( 3.196 0.000 11.221) 11.668 12.498 ( -4.815 0.000 9.857) 10.971 12.525 ( 0.018 0.000 0.220) 0.221 12.559 ( -3.673 0.000 -0.834) 3.767 12.580 ( 3.211 0.000 2.964) 4.370 12.641 ( -3.167 0.000 2.138) 3.821 13.024 ( 7.691 0.000 1.121) 7.772 13.169 ( -5.669 0.000 -3.800) 6.825 13.281 ( 3.381 0.000 5.584) 6.528 13.287 ( 2.037 0.000 2.972) 3.603 13.313 ( -0.384 0.000 4.743) 4.758 13.376 ( -8.246 0.000 5.142) 9.718 13.434 ( 1.161 0.000 -1.747) 2.098 13.488 ( -4.052 0.000 -0.362) 4.068 13.888 ( 11.254 0.000 -2.488) 11.525 14.042 ( -4.895 0.000 -4.470) 6.629 14.222 ( 1.558 0.000 4.850) 5.094 14.253 ( -1.691 0.000 4.694) 4.990 14.352 ( -2.671 0.000 4.141) 4.927 14.383 ( -6.588 0.000 3.062) 7.265 15.176 ( 7.736 0.000 3.638) 8.549 15.291 ( -4.072 0.000 5.269) 6.659 15.547 ( 7.740 0.000 14.514) 16.449 15.622 ( 4.194 0.000 6.586) 7.808 15.764 ( 11.251 0.000 5.813) 12.664 15.773 ( 2.078 0.000 5.948) 6.300 15.940 ( -11.892 0.000 7.109) 13.855 15.977 ( -11.057 0.000 3.604) 11.629 16.432 ( 2.284 0.000 -0.162) 2.289 16.465 ( -1.279 0.000 0.618) 1.420 16.666 ( 6.161 0.000 -3.378) 7.026 16.789 ( -6.402 0.000 -0.296) 6.409 17.486 ( 17.364 0.000 -13.126) 21.768 17.761 ( -11.792 0.000 -15.838) 19.745 24.101 ( 6.268 0.000 3.217) 7.045 24.220 ( -6.084 0.000 3.289) 6.916 24.291 ( 4.596 0.000 1.108) 4.728 24.364 ( -3.067 0.000 2.325) 3.849 25.705 ( 2.022 0.000 10.832) 11.019 25.755 ( -3.511 0.000 10.363) 10.942 26.191 ( 0.953 0.000 1.906) 2.131 26.210 ( -1.024 0.000 1.636) 1.930 26.247 ( 3.699 0.000 1.383) 3.949 26.286 ( -0.632 0.000 3.920) 3.970 26.789 ( 8.605 0.000 5.740) 10.343 26.880 ( 1.626 0.000 -2.020) 2.593 26.911 ( -1.553 0.000 -2.378) 2.841 26.999 ( -13.081 0.000 3.260) 13.481 28.302 ( 6.346 0.000 -5.757) 8.568 28.426 ( -6.620 0.000 -5.577) 8.656 ======================= Grid point 95 (34/90) ======================= q-point: ( 0.00 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 0.000 9.875 18.640) 21.095 1.372 ( 0.000 12.946 25.915) 28.969 2.063 ( 0.000 -2.792 8.268) 8.727 2.069 ( 0.000 -2.076 -1.774) 2.731 2.294 ( 0.000 3.400 13.428) 13.852 2.359 ( 0.000 16.037 23.818) 28.714 2.385 ( 0.000 12.703 -5.332) 13.777 2.572 ( 0.000 14.630 -3.254) 14.988 2.573 ( 0.000 9.761 2.867) 10.173 2.720 ( 0.000 17.169 4.372) 17.717 2.911 ( 0.000 9.879 -5.509) 11.311 3.130 ( 0.000 5.983 -3.666) 7.017 3.945 ( 0.000 1.987 7.597) 7.852 4.571 ( 0.000 4.632 -2.676) 5.350 4.846 ( 0.000 11.209 -2.776) 11.547 4.926 ( 0.000 -5.795 5.418) 7.933 5.237 ( 0.000 7.177 6.903) 9.958 5.272 ( 0.000 3.328 4.590) 5.670 5.385 ( 0.000 2.994 3.743) 4.793 5.773 ( 0.000 -8.290 5.278) 9.827 6.094 ( 0.000 2.750 9.601) 9.987 6.158 ( 0.000 2.900 2.149) 3.609 6.289 ( 0.000 5.382 -8.746) 10.269 6.585 ( 0.000 1.037 -20.929) 20.955 7.005 ( 0.000 -0.532 7.810) 7.828 7.089 ( 0.000 0.753 -25.332) 25.343 7.375 ( 0.000 -3.072 -11.320) 11.730 7.777 ( 0.000 1.263 2.747) 3.024 8.761 ( 0.000 -3.003 -8.136) 8.673 8.923 ( 0.000 0.333 -10.875) 10.880 9.115 ( 0.000 -2.272 -5.519) 5.969 9.385 ( 0.000 -4.170 -8.286) 9.276 9.458 ( 0.000 6.910 -11.240) 13.194 9.670 ( 0.000 -1.302 9.831) 9.917 9.804 ( 0.000 -0.992 -14.029) 14.064 10.665 ( 0.000 2.883 -7.767) 8.285 11.160 ( 0.000 -4.744 -1.316) 4.923 11.258 ( 0.000 -6.042 1.117) 6.144 11.404 ( 0.000 -6.032 -2.150) 6.404 11.493 ( 0.000 -0.687 -1.544) 1.690 11.649 ( 0.000 -9.665 -3.397) 10.244 11.734 ( 0.000 -5.271 -0.889) 5.346 11.742 ( 0.000 -3.335 5.272) 6.239 11.902 ( 0.000 -1.114 -12.151) 12.202 12.253 ( 0.000 3.294 -5.624) 6.518 12.372 ( 0.000 -1.764 -3.328) 3.767 12.388 ( 0.000 -3.861 -2.461) 4.578 12.412 ( 0.000 -0.690 11.926) 11.946 12.557 ( 0.000 2.088 1.067) 2.345 12.641 ( 0.000 1.650 6.202) 6.417 12.731 ( 0.000 0.969 -1.233) 1.568 12.747 ( 0.000 4.610 -1.987) 5.020 12.962 ( 0.000 -15.407 2.245) 15.570 13.090 ( 0.000 -4.411 4.147) 6.054 13.146 ( 0.000 -5.590 0.932) 5.667 13.181 ( 0.000 -6.621 0.283) 6.627 13.390 ( 0.000 1.235 4.528) 4.694 13.463 ( 0.000 2.270 -5.383) 5.842 13.545 ( 0.000 2.621 7.604) 8.043 13.646 ( 0.000 4.152 -3.418) 5.378 13.754 ( 0.000 -10.809 -3.475) 11.354 14.116 ( 0.000 0.070 -2.270) 2.271 14.225 ( 0.000 2.975 3.117) 4.309 14.272 ( 0.000 4.158 -2.023) 4.624 14.492 ( 0.000 4.236 6.809) 8.019 14.873 ( 0.000 0.712 7.413) 7.447 14.883 ( 0.000 7.344 7.203) 10.287 15.016 ( 0.000 0.731 1.758) 1.904 15.409 ( 0.000 -0.419 12.125) 12.132 15.416 ( 0.000 -1.288 12.294) 12.362 15.534 ( 0.000 2.441 6.272) 6.731 15.828 ( 0.000 1.535 -0.740) 1.704 16.159 ( 0.000 -3.315 6.654) 7.434 16.245 ( 0.000 -4.659 2.393) 5.238 16.385 ( 0.000 5.906 1.259) 6.038 16.462 ( 0.000 -1.853 -1.181) 2.198 16.602 ( 0.000 3.775 -3.646) 5.248 16.869 ( 0.000 -9.328 3.911) 10.115 16.982 ( 0.000 5.430 4.261) 6.902 17.930 ( 0.000 -4.673 -14.008) 14.766 23.969 ( 0.000 0.628 2.893) 2.960 24.144 ( 0.000 -0.793 0.972) 1.254 24.355 ( 0.000 0.184 2.816) 2.822 24.416 ( 0.000 0.025 3.718) 3.718 25.664 ( 0.000 -0.359 10.219) 10.226 25.826 ( 0.000 -8.870 9.808) 13.224 25.896 ( 0.000 -3.271 5.537) 6.431 26.155 ( 0.000 -6.178 5.893) 8.538 26.320 ( 0.000 2.844 1.777) 3.353 26.373 ( 0.000 6.923 -2.221) 7.270 26.740 ( 0.000 5.935 4.366) 7.368 26.899 ( 0.000 -3.531 0.568) 3.577 26.969 ( 0.000 12.522 -3.393) 12.974 27.490 ( 0.000 11.888 -8.552) 14.644 28.164 ( 0.000 0.181 -5.646) 5.649 28.612 ( 0.000 1.668 -8.330) 8.495 ======================= Grid point 96 (35/90) ======================= q-point: ( 0.20 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 9.282 6.196 17.585) 20.827 1.476 ( 10.030 11.524 22.891) 27.520 1.909 ( -9.289 -1.018 7.695) 12.106 2.172 ( -7.854 5.716 10.145) 14.046 2.190 ( 3.848 -3.134 1.963) 5.337 2.359 ( 0.304 8.656 2.911) 9.138 2.480 ( 6.718 17.421 10.880) 21.610 2.572 ( 1.617 6.299 -1.155) 6.605 2.629 ( 2.791 16.982 1.178) 17.250 2.704 ( -1.414 17.655 4.417) 18.254 2.939 ( 2.931 8.751 -4.780) 10.393 3.119 ( -1.253 6.167 -3.462) 7.183 4.048 ( 10.529 0.954 8.064) 13.296 4.579 ( 0.956 4.283 -1.126) 4.531 4.887 ( 1.917 7.830 -2.201) 8.357 4.961 ( 3.344 0.544 5.852) 6.762 5.047 ( -10.022 5.597 6.050) 12.975 5.282 ( -5.930 4.250 7.697) 10.605 5.360 ( -1.312 6.546 4.169) 7.871 5.707 ( -6.292 -9.876 3.605) 12.253 6.028 ( -5.309 3.635 2.130) 6.778 6.104 ( -1.940 1.588 -0.518) 2.560 6.345 ( 1.107 11.043 -2.525) 11.382 6.772 ( 16.647 -3.764 -15.803) 23.260 6.924 ( -13.571 4.063 -19.120) 23.796 7.037 ( 5.365 -1.510 4.587) 7.218 7.419 ( 1.315 -6.632 -14.156) 15.688 7.719 ( -6.331 0.918 0.769) 6.443 8.784 ( 2.146 -3.735 -8.606) 9.624 8.922 ( -0.577 -0.495 -10.853) 10.880 9.124 ( 1.079 -2.279 -5.685) 6.219 9.348 ( -4.362 -3.088 -7.478) 9.192 9.384 ( -4.889 7.598 -9.121) 12.838 9.537 ( -8.398 3.098 5.092) 10.298 9.997 ( 14.284 -1.413 -14.365) 20.307 10.686 ( -0.933 -0.837 -9.883) 9.962 11.150 ( 1.000 -4.707 1.384) 5.007 11.309 ( 3.928 -8.063 1.597) 9.110 11.393 ( -0.638 -5.918 -1.568) 6.155 11.520 ( 3.764 -2.427 -0.419) 4.498 11.667 ( 2.013 -6.388 -4.464) 8.049 11.725 ( -0.168 -2.714 -1.273) 3.002 11.770 ( 0.884 -5.711 5.898) 8.257 11.936 ( 3.795 -1.165 -11.401) 12.072 12.199 ( -5.686 3.209 -6.128) 8.955 12.341 ( -2.398 -2.072 -0.505) 3.209 12.356 ( -2.643 -2.406 0.541) 3.615 12.460 ( 3.092 -2.547 6.199) 7.381 12.560 ( -1.747 -1.053 2.418) 3.163 12.593 ( -2.861 1.519 4.287) 5.374 12.670 ( -5.186 1.613 1.682) 5.686 12.729 ( -3.361 1.702 -2.541) 4.545 12.910 ( -1.210 -8.093 4.292) 9.240 13.088 ( 2.105 -5.197 5.980) 8.198 13.195 ( 3.040 -3.725 -1.923) 5.179 13.230 ( 2.836 -3.680 0.484) 4.671 13.354 ( -1.865 0.533 4.165) 4.595 13.451 ( -1.131 1.351 -4.087) 4.450 13.525 ( -4.952 -1.435 4.881) 7.100 13.603 ( -3.981 2.204 -1.378) 4.755 13.773 ( 5.014 4.567 -2.018) 7.076 14.102 ( -2.440 -0.643 -1.258) 2.820 14.193 ( -3.484 -2.773 2.773) 5.246 14.232 ( 0.402 3.060 2.988) 4.296 14.486 ( -1.793 5.475 5.761) 8.147 14.640 ( -11.030 5.365 5.397) 13.401 15.075 ( 9.082 5.701 3.624) 11.319 15.227 ( 15.078 -3.035 1.605) 15.464 15.394 ( -1.142 -3.112 14.347) 14.725 15.454 ( 4.821 -0.289 11.398) 12.379 15.604 ( 5.649 0.741 6.447) 8.603 15.816 ( -1.225 1.705 0.991) 2.322 16.071 ( -8.172 -3.180 5.251) 10.221 16.187 ( -6.192 -1.282 4.124) 7.549 16.387 ( 0.272 0.751 0.296) 0.851 16.437 ( -0.819 -2.169 -0.629) 2.402 16.642 ( 3.069 4.385 -5.446) 7.635 16.934 ( -3.516 3.884 3.500) 6.301 17.064 ( 16.789 -6.727 -1.515) 18.150 17.873 ( -6.099 -4.966 -13.880) 15.953 24.007 ( 3.979 0.621 2.965) 5.000 24.191 ( 4.395 -1.014 0.801) 4.581 24.318 ( -3.747 0.269 3.033) 4.828 24.403 ( -1.449 -0.127 3.254) 3.564 25.671 ( 0.669 -0.557 10.257) 10.293 25.778 ( -3.239 -4.752 9.828) 11.387 25.949 ( 3.774 -7.080 5.509) 9.733 26.129 ( -2.390 -6.610 5.402) 8.865 26.343 ( 2.433 3.978 1.318) 4.846 26.426 ( 4.541 7.873 -2.248) 9.362 26.704 ( -2.887 2.556 4.325) 5.794 26.866 ( -2.658 -2.923 0.026) 3.951 27.014 ( 3.600 12.650 -1.878) 13.285 27.401 ( -8.558 14.244 -4.925) 17.332 28.200 ( 3.772 -0.212 -6.041) 7.125 28.553 ( -5.619 1.244 -7.505) 9.458 ======================= Grid point 97 (36/90) ======================= q-point: ( 0.40 0.12 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 11.704 1.715 14.269) 18.534 1.695 ( 8.326 7.179 20.299) 23.085 1.735 ( -5.132 1.506 8.869) 10.357 1.955 ( -12.898 6.823 14.307) 20.435 2.293 ( 4.656 -1.257 -2.768) 5.560 2.352 ( -1.579 3.504 -1.761) 4.228 2.579 ( 3.509 15.412 4.636) 16.472 2.604 ( 0.862 6.008 -0.990) 6.150 2.660 ( 0.838 18.210 2.783) 18.441 2.678 ( -1.245 18.377 4.518) 18.966 3.011 ( 4.254 7.320 -3.158) 9.036 3.080 ( -2.956 6.568 -2.994) 7.800 4.309 ( 16.144 -1.278 9.481) 18.766 4.561 ( -6.991 -2.377 5.390) 9.142 4.810 ( -1.534 12.665 3.619) 13.261 4.915 ( -8.541 11.380 4.110) 14.810 5.076 ( 8.621 10.690 1.530) 13.818 5.238 ( -6.504 7.165 2.564) 10.011 5.321 ( 7.485 -2.660 6.218) 10.088 5.538 ( -11.851 -9.130 4.489) 15.619 5.972 ( 0.499 3.196 2.592) 4.145 6.044 ( -5.507 1.917 4.427) 7.321 6.401 ( 8.292 11.974 -9.829) 17.571 6.635 ( -15.066 6.940 -15.913) 22.986 7.112 ( 15.958 -7.142 -10.932) 20.620 7.227 ( 12.110 -3.743 0.677) 12.694 7.369 ( -5.146 -6.717 -12.363) 14.982 7.537 ( -13.015 -0.317 -2.668) 13.290 8.829 ( 2.656 -4.350 -9.287) 10.594 8.886 ( -3.100 -2.856 -9.909) 10.768 9.165 ( 3.542 -1.621 -5.526) 6.761 9.250 ( -5.173 -1.125 -5.070) 7.330 9.341 ( 0.561 8.647 -6.145) 10.623 9.403 ( -5.608 8.618 -2.508) 10.584 10.280 ( 15.554 -2.619 -15.381) 22.031 10.552 ( -12.442 -3.284 -14.069) 19.066 11.234 ( 6.026 -6.517 4.484) 9.945 11.318 ( -2.795 -8.023 2.921) 8.984 11.442 ( 5.776 -7.495 -0.657) 9.485 11.548 ( -3.429 -8.989 -0.713) 9.647 11.717 ( 1.648 -7.020 -0.856) 7.261 11.754 ( -2.040 -6.163 2.757) 7.053 11.806 ( 11.247 5.236 -3.136) 12.796 12.007 ( -3.555 3.280 -6.351) 7.984 12.077 ( 0.011 -0.194 -8.126) 8.128 12.215 ( -9.247 -0.571 -8.107) 12.310 12.370 ( 3.300 -4.596 9.448) 11.013 12.456 ( -5.194 -5.024 6.567) 9.765 12.520 ( 1.918 0.246 4.837) 5.209 12.574 ( -3.550 0.798 3.158) 4.818 12.600 ( 1.423 1.437 1.579) 2.566 12.652 ( -3.703 0.467 1.415) 3.992 12.988 ( 7.338 -3.420 0.202) 8.099 13.105 ( -3.238 -4.507 1.205) 5.679 13.227 ( 3.955 -1.205 4.074) 5.804 13.291 ( 3.242 -1.629 0.202) 3.634 13.339 ( -1.526 1.103 1.361) 2.323 13.367 ( -9.090 -0.593 5.513) 10.647 13.456 ( 2.322 1.332 -2.177) 3.450 13.527 ( -4.293 3.370 -0.915) 5.534 13.917 ( 8.387 2.621 -2.345) 9.095 14.036 ( -4.322 -0.523 -2.210) 4.882 14.180 ( 1.549 -3.618 4.460) 5.948 14.226 ( -1.834 0.993 4.454) 4.918 14.443 ( -1.405 7.254 5.447) 9.180 14.479 ( -5.573 7.409 3.946) 10.075 15.224 ( 6.515 3.988 5.323) 9.310 15.319 ( -3.490 2.225 6.976) 8.111 15.503 ( 10.185 -5.967 10.680) 15.918 15.596 ( 8.617 -1.339 5.595) 10.361 15.652 ( -1.322 -5.797 10.749) 12.284 15.788 ( -4.573 -2.433 3.079) 6.026 15.932 ( -1.503 2.784 4.179) 5.241 16.039 ( -8.627 2.551 3.242) 9.562 16.405 ( 1.403 -2.739 -0.836) 3.189 16.427 ( -0.772 -2.223 -1.160) 2.624 16.720 ( 5.416 4.355 -2.279) 7.314 16.835 ( -6.323 4.420 1.232) 7.813 17.412 ( 18.115 -6.610 -9.844) 21.650 17.700 ( -12.451 -5.736 -13.103) 18.964 24.106 ( 6.214 0.557 3.112) 6.972 24.224 ( -5.996 0.418 3.184) 6.802 24.282 ( 4.811 -0.930 1.274) 5.063 24.359 ( -3.313 -0.492 2.341) 4.086 25.690 ( 1.430 -1.174 10.315) 10.480 25.725 ( -2.353 -2.378 10.235) 10.767 26.017 ( 3.419 -8.270 5.097) 10.299 26.077 ( -3.052 -7.682 5.050) 9.687 26.406 ( 4.112 6.783 0.436) 7.944 26.471 ( -1.415 10.507 -1.652) 10.729 26.699 ( 3.774 -4.880 3.209) 6.953 26.797 ( -5.004 -4.842 0.627) 6.992 27.094 ( 5.286 15.779 -0.457) 16.647 27.225 ( -8.891 17.112 -0.626) 19.294 28.299 ( 6.485 -0.404 -6.642) 9.292 28.429 ( -7.186 0.238 -6.932) 9.988 ======================= Grid point 100 (37/90) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 0.000 14.038 8.440) 16.380 1.636 ( 0.000 13.518 20.062) 24.192 2.014 ( 0.000 -1.622 6.454) 6.654 2.062 ( 0.000 1.299 1.388) 1.901 2.288 ( 0.000 -0.911 8.967) 9.013 2.440 ( 0.000 0.769 3.947) 4.021 2.524 ( 0.000 1.093 -8.398) 8.469 2.700 ( 0.000 -0.255 -5.630) 5.636 3.137 ( 0.000 34.178 7.214) 34.931 3.165 ( 0.000 25.307 3.529) 25.552 3.279 ( 0.000 21.359 -0.810) 21.375 3.374 ( 0.000 19.089 -1.614) 19.157 4.031 ( 0.000 7.590 6.528) 10.011 4.647 ( 0.000 1.640 -1.849) 2.472 4.775 ( 0.000 -8.115 6.077) 10.138 5.070 ( 0.000 6.221 4.136) 7.470 5.327 ( 0.000 4.854 -1.813) 5.182 5.397 ( 0.000 9.240 5.680) 10.846 5.512 ( 0.000 10.952 8.117) 13.632 5.802 ( 0.000 11.737 1.743) 11.866 6.077 ( 0.000 -4.592 1.787) 4.927 6.237 ( 0.000 7.309 7.655) 10.584 6.345 ( 0.000 -2.174 -10.141) 10.371 6.644 ( 0.000 5.253 -15.096) 15.984 7.008 ( 0.000 0.271 0.307) 0.409 7.099 ( 0.000 -1.606 -12.319) 12.423 7.327 ( 0.000 -0.385 -7.710) 7.720 7.778 ( 0.000 -1.580 -2.236) 2.738 8.708 ( 0.000 -1.513 -7.701) 7.848 8.929 ( 0.000 0.042 -10.140) 10.140 9.080 ( 0.000 -1.349 -4.953) 5.134 9.272 ( 0.000 -7.182 -6.172) 9.469 9.616 ( 0.000 8.717 -3.472) 9.384 9.664 ( 0.000 1.853 3.741) 4.175 9.773 ( 0.000 -1.978 -6.766) 7.050 10.691 ( 0.000 -3.680 -7.478) 8.334 11.052 ( 0.000 -3.203 -2.705) 4.192 11.146 ( 0.000 -4.953 -1.040) 5.061 11.246 ( 0.000 -9.690 -2.149) 9.925 11.374 ( 0.000 -9.193 -2.321) 9.481 11.432 ( 0.000 -11.579 -5.042) 12.629 11.662 ( 0.000 -4.469 2.304) 5.028 11.706 ( 0.000 1.318 -6.115) 6.255 11.836 ( 0.000 -6.210 -9.319) 11.198 12.243 ( 0.000 -7.775 0.679) 7.804 12.308 ( 0.000 2.102 -3.904) 4.434 12.381 ( 0.000 -5.328 13.143) 14.182 12.383 ( 0.000 -0.153 -7.876) 7.878 12.567 ( 0.000 -0.863 3.146) 3.262 12.596 ( 0.000 -14.645 -2.236) 14.814 12.687 ( 0.000 1.972 6.880) 7.157 12.760 ( 0.000 1.875 -0.308) 1.900 12.853 ( 0.000 2.562 -4.893) 5.523 13.006 ( 0.000 -3.293 0.416) 3.319 13.079 ( 0.000 -3.951 -0.126) 3.953 13.083 ( 0.000 0.485 7.750) 7.766 13.391 ( 0.000 -0.745 4.393) 4.455 13.419 ( 0.000 -8.836 2.727) 9.247 13.542 ( 0.000 2.582 -5.601) 6.167 13.705 ( 0.000 4.387 3.634) 5.697 13.707 ( 0.000 1.708 -4.738) 5.037 14.114 ( 0.000 -0.894 3.056) 3.184 14.298 ( 0.000 4.555 2.446) 5.170 14.406 ( 0.000 7.159 -1.893) 7.405 14.603 ( 0.000 6.984 7.777) 10.453 14.889 ( 0.000 0.914 8.080) 8.132 14.935 ( 0.000 -0.776 5.015) 5.074 15.069 ( 0.000 2.959 6.511) 7.152 15.366 ( 0.000 -3.537 10.860) 11.421 15.384 ( 0.000 -2.547 14.731) 14.949 15.603 ( 0.000 4.844 0.599) 4.881 15.880 ( 0.000 3.994 -0.679) 4.052 16.103 ( 0.000 -3.486 3.067) 4.643 16.155 ( 0.000 -3.776 2.229) 4.385 16.434 ( 0.000 -0.361 -2.012) 2.044 16.492 ( 0.000 5.170 -0.298) 5.179 16.650 ( 0.000 -1.604 1.112) 1.952 16.699 ( 0.000 -4.879 -2.982) 5.718 17.122 ( 0.000 8.592 5.408) 10.152 17.811 ( 0.000 -7.367 -9.093) 11.703 23.989 ( 0.000 1.398 2.601) 2.953 24.123 ( 0.000 -1.369 1.162) 1.795 24.362 ( 0.000 0.646 2.733) 2.809 24.416 ( 0.000 -0.067 3.495) 3.495 25.656 ( 0.000 -0.569 8.418) 8.437 25.728 ( 0.000 -1.734 11.154) 11.288 25.821 ( 0.000 -4.187 5.302) 6.756 26.020 ( 0.000 -7.323 6.369) 9.705 26.367 ( 0.000 1.872 1.007) 2.126 26.422 ( 0.000 -0.017 0.040) 0.043 26.818 ( 0.000 1.349 4.739) 4.928 26.833 ( 0.000 -3.119 4.883) 5.794 27.278 ( 0.000 17.716 -7.254) 19.144 27.749 ( 0.000 13.270 -11.043) 17.264 28.175 ( 0.000 1.309 -5.491) 5.645 28.631 ( 0.000 -0.392 -10.615) 10.622 ======================= Grid point 101 (38/90) ======================= q-point: ( 0.20 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( 3.305 11.047 10.318) 15.473 1.710 ( 7.158 11.714 17.189) 21.998 1.921 ( -7.462 2.906 8.606) 11.756 2.114 ( 3.910 -4.055 -0.436) 5.649 2.233 ( -5.999 2.341 10.010) 11.903 2.394 ( -3.840 -1.605 0.961) 4.272 2.568 ( 3.910 -0.635 -6.733) 7.812 2.718 ( 0.801 -0.692 -4.312) 4.440 3.144 ( -0.106 27.411 1.672) 27.462 3.160 ( 0.226 29.543 6.018) 30.150 3.296 ( 1.733 21.788 -1.126) 21.886 3.386 ( 0.626 20.184 -2.002) 20.292 4.113 ( 8.663 6.398 7.851) 13.327 4.641 ( -1.592 2.143 0.028) 2.669 4.819 ( 4.771 -8.962 6.603) 12.111 5.098 ( 0.574 0.274 7.122) 7.150 5.230 ( -2.276 16.488 -5.027) 17.387 5.432 ( -1.783 6.553 8.159) 10.615 5.469 ( -3.132 10.304 4.102) 11.525 5.720 ( -7.562 12.259 -0.163) 14.405 6.107 ( 2.541 -0.568 1.187) 2.861 6.133 ( -5.423 6.604 2.586) 8.928 6.515 ( 10.307 2.099 -1.395) 10.611 6.723 ( 7.421 2.363 -15.466) 17.316 6.970 ( -6.565 -0.344 -0.237) 6.578 7.048 ( 0.356 1.933 -8.726) 8.944 7.292 ( -3.516 -5.188 -9.955) 11.764 7.705 ( -7.747 -2.447 -2.903) 8.627 8.725 ( 1.732 -1.453 -7.687) 8.013 8.913 ( -1.982 -0.358 -10.205) 10.402 9.087 ( 0.795 -1.813 -4.636) 5.041 9.250 ( -2.312 -6.399 -6.020) 9.085 9.559 ( -4.070 8.678 -0.341) 9.591 9.617 ( -1.178 6.199 -1.040) 6.395 9.943 ( 12.451 -4.169 -7.460) 15.102 10.633 ( -6.676 -6.625 -8.489) 12.670 11.054 ( 0.971 -2.751 -0.863) 3.042 11.156 ( -0.045 -7.449 -0.310) 7.455 11.245 ( 0.963 -8.450 -2.148) 8.771 11.381 ( 0.970 -8.911 -3.064) 9.473 11.486 ( 3.902 -10.722 -4.914) 12.423 11.667 ( -0.616 -5.337 2.747) 6.034 11.740 ( 4.440 2.492 -5.786) 7.707 11.865 ( 3.811 -6.560 -9.288) 11.993 12.215 ( -3.313 -4.695 -0.203) 5.750 12.275 ( -3.164 -0.181 0.389) 3.193 12.293 ( -6.313 -8.562 -1.863) 10.799 12.399 ( -1.717 -3.791 0.172) 4.165 12.514 ( -0.754 -1.267 3.704) 3.987 12.636 ( -2.831 -2.079 5.760) 6.746 12.646 ( 0.323 -0.037 -0.052) 0.329 12.719 ( -4.237 1.725 1.577) 4.839 12.836 ( 1.463 -0.441 -0.748) 1.701 13.057 ( 2.983 0.789 3.773) 4.875 13.138 ( 5.021 -0.939 0.249) 5.114 13.157 ( 5.662 -4.432 2.039) 7.474 13.317 ( -3.625 -3.888 2.977) 6.093 13.420 ( -0.556 -3.874 1.789) 4.303 13.529 ( -2.689 3.078 -3.321) 5.266 13.654 ( -2.503 2.639 -2.891) 4.646 13.844 ( 9.310 2.784 0.385) 9.725 14.083 ( -2.904 -1.379 2.287) 3.946 14.236 ( -9.617 5.093 2.706) 11.214 14.308 ( -1.926 4.625 2.189) 5.467 14.612 ( -0.329 7.166 7.893) 10.666 14.735 ( -7.664 4.564 6.644) 11.122 15.134 ( 11.414 -6.001 6.699) 14.532 15.165 ( 7.132 1.931 8.124) 10.982 15.362 ( 0.547 -0.596 7.736) 7.778 15.430 ( 4.738 -2.483 12.754) 13.831 15.622 ( 0.953 2.359 -0.343) 2.567 15.868 ( -1.778 3.677 0.890) 4.180 16.027 ( -5.548 -1.833 2.576) 6.385 16.152 ( -2.108 -1.727 3.743) 4.630 16.353 ( -4.214 -2.167 -2.652) 5.430 16.446 ( -2.432 0.825 -0.508) 2.618 16.717 ( 3.816 3.149 -5.175) 7.160 16.897 ( 16.217 -5.250 1.099) 17.081 17.087 ( -2.489 7.432 4.191) 8.888 17.749 ( -6.548 -7.487 -8.778) 13.266 24.027 ( 3.924 1.371 2.678) 4.944 24.166 ( 4.179 -1.530 1.185) 4.606 24.328 ( -3.549 0.794 2.862) 4.627 24.399 ( -1.845 -0.330 3.122) 3.642 25.659 ( 0.413 -0.563 8.581) 8.609 25.715 ( -1.182 -1.267 10.603) 10.744 25.839 ( 1.745 -4.954 5.649) 7.713 25.993 ( -2.557 -7.100 6.237) 9.790 26.402 ( 3.598 2.120 1.078) 4.313 26.475 ( 5.283 -0.550 0.122) 5.313 26.755 ( -5.684 1.052 3.720) 6.874 26.810 ( -2.947 -2.412 3.883) 5.439 27.326 ( 4.781 17.873 -5.538) 19.313 27.711 ( -4.395 16.200 -8.283) 18.718 28.194 ( 2.540 -0.313 -6.546) 7.029 28.567 ( -6.252 -0.433 -9.864) 11.686 ======================= Grid point 102 (39/90) ======================= q-point: ( 0.40 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 7.685 5.751 10.756) 14.416 1.756 ( -8.701 2.705 8.692) 12.593 1.885 ( 9.943 10.263 15.914) 21.388 2.078 ( -9.872 6.507 12.385) 17.123 2.204 ( 5.503 -6.158 -1.845) 8.462 2.309 ( -5.299 -5.396 -1.302) 7.674 2.645 ( 3.979 -1.957 -4.901) 6.609 2.705 ( -2.182 -1.637 -3.888) 4.749 3.145 ( 0.605 25.863 0.764) 25.881 3.160 ( -0.632 27.777 2.531) 27.900 3.339 ( 2.579 21.966 -1.691) 22.181 3.379 ( -1.422 21.460 -2.198) 21.619 4.329 ( 13.074 3.652 8.748) 16.149 4.546 ( -8.969 1.120 5.990) 10.843 4.943 ( 7.587 -5.684 4.820) 10.635 5.054 ( -3.638 -0.657 2.823) 4.652 5.300 ( 4.500 10.696 -0.383) 11.610 5.356 ( -3.213 14.003 5.230) 15.289 5.427 ( 0.635 10.701 2.238) 10.951 5.556 ( -9.410 14.810 -1.179) 17.586 6.083 ( 0.537 7.680 4.294) 8.815 6.123 ( -1.714 5.341 4.216) 7.017 6.632 ( 4.678 10.383 -3.492) 11.912 6.761 ( -8.087 5.402 -9.312) 13.465 6.955 ( 10.639 -8.026 -8.142) 15.618 7.120 ( -2.392 -6.892 -6.284) 9.629 7.257 ( 7.331 -4.144 -7.982) 11.603 7.499 ( -13.644 -3.168 -4.026) 14.574 8.771 ( 3.366 -0.967 -7.774) 8.526 8.849 ( -4.475 -0.609 -8.871) 9.954 9.122 ( 3.111 -3.018 -5.028) 6.638 9.191 ( -3.820 -4.625 -5.691) 8.268 9.538 ( 1.408 10.323 -1.205) 10.488 9.582 ( -2.554 9.271 -2.054) 9.833 10.193 ( 13.928 -6.661 -9.634) 18.198 10.446 ( -12.549 -8.039 -9.908) 17.896 11.094 ( 2.653 -6.060 1.993) 6.909 11.136 ( -1.760 -8.978 1.481) 9.268 11.294 ( 3.935 -7.460 -2.986) 8.948 11.369 ( -2.982 -8.726 -3.001) 9.697 11.554 ( 3.641 -8.786 -4.150) 10.377 11.623 ( -3.507 -7.099 -1.124) 7.997 11.893 ( 11.037 3.531 -5.511) 12.832 11.980 ( 7.792 -7.768 -5.966) 12.516 12.096 ( -9.276 2.449 -6.023) 11.327 12.139 ( -8.563 -9.241 -2.142) 12.779 12.266 ( 1.475 -5.213 3.838) 6.639 12.328 ( -4.587 -5.498 1.365) 7.289 12.540 ( 2.622 1.603 4.932) 5.811 12.596 ( -2.474 1.356 3.755) 4.697 12.625 ( -0.564 1.696 1.677) 2.451 12.651 ( -2.441 0.430 3.392) 4.201 12.918 ( 6.322 -3.105 1.101) 7.129 13.038 ( -5.370 -2.757 2.616) 6.579 13.217 ( 4.619 -1.069 5.855) 7.534 13.258 ( 4.110 -3.363 1.257) 5.458 13.308 ( 0.814 -0.750 -0.504) 1.216 13.411 ( -6.010 3.812 1.176) 7.213 13.467 ( 3.703 -0.114 -3.900) 5.379 13.580 ( -5.680 1.799 -3.286) 6.804 13.984 ( 3.678 4.088 -1.325) 5.656 14.028 ( -2.437 0.128 0.277) 2.456 14.149 ( 2.928 -0.041 5.669) 6.380 14.254 ( -5.054 1.428 4.431) 6.872 14.601 ( -0.095 8.622 7.623) 11.509 14.630 ( -3.433 7.952 5.907) 10.483 15.258 ( 2.729 -2.968 14.326) 14.883 15.272 ( 1.920 -8.482 16.629) 18.766 15.435 ( 7.950 1.813 -4.583) 9.354 15.545 ( 2.666 -2.048 2.572) 4.233 15.610 ( 1.632 1.146 2.136) 2.922 15.766 ( -9.133 0.238 4.722) 10.284 15.991 ( 2.494 2.946 2.730) 4.727 16.074 ( -5.298 1.726 3.619) 6.644 16.339 ( 1.974 -3.567 -3.525) 5.390 16.393 ( -3.166 -1.993 -3.223) 4.938 16.815 ( 6.562 5.415 -0.207) 8.510 16.945 ( -6.526 6.685 3.058) 9.829 17.278 ( 17.429 -6.513 -4.711) 19.193 17.567 ( -12.897 -7.549 -7.597) 16.764 24.124 ( 6.066 1.260 2.837) 6.814 24.238 ( -5.679 1.023 2.963) 6.486 24.258 ( 5.097 -1.429 1.546) 5.514 24.345 ( -3.894 -0.908 2.366) 4.646 25.671 ( 0.862 -0.592 9.065) 9.125 25.691 ( -1.243 -0.771 9.790) 9.899 25.881 ( 2.718 -6.054 5.944) 8.909 25.937 ( -3.172 -6.723 6.089) 9.609 26.496 ( 6.264 2.624 1.261) 6.908 26.592 ( 4.922 0.623 -0.409) 4.978 26.634 ( -5.065 -0.360 3.364) 6.091 26.726 ( -5.889 -2.821 2.187) 6.886 27.442 ( 7.411 19.035 -3.439) 20.714 27.590 ( -7.889 19.360 -4.116) 21.307 28.281 ( 6.636 -1.624 -8.164) 10.645 28.425 ( -8.227 -1.069 -8.944) 12.200 ======================= Grid point 105 (40/90) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 8.860 -1.257) 8.949 1.822 ( 0.000 3.137 5.492) 6.325 2.064 ( 0.000 8.858 8.075) 11.986 2.128 ( 0.000 5.628 5.710) 8.017 2.294 ( 0.000 0.231 0.690) 0.728 2.463 ( 0.000 2.258 5.084) 5.563 2.464 ( 0.000 -6.620 -4.113) 7.794 2.642 ( 0.000 -4.689 -5.415) 7.163 3.539 ( 0.000 13.622 -0.184) 13.624 3.559 ( 0.000 9.207 1.100) 9.273 3.715 ( 0.000 21.256 0.563) 21.263 3.762 ( 0.000 16.262 -1.617) 16.342 4.221 ( 0.000 10.226 3.914) 10.949 4.532 ( 0.000 -9.442 5.287) 10.822 4.755 ( 0.000 3.493 2.069) 4.060 4.996 ( 0.000 -8.213 8.112) 11.544 5.580 ( 0.000 8.969 1.608) 9.112 5.583 ( 0.000 17.446 -8.619) 19.460 5.826 ( 0.000 20.578 15.358) 25.677 5.869 ( 0.000 -6.374 1.063) 6.462 6.198 ( 0.000 14.968 -5.487) 15.942 6.203 ( 0.000 -11.432 -10.365) 15.431 6.406 ( 0.000 9.632 10.102) 13.958 6.720 ( 0.000 0.915 -6.692) 6.754 6.963 ( 0.000 -5.613 -6.436) 8.540 6.974 ( 0.000 -10.444 2.545) 10.750 7.410 ( 0.000 8.431 -7.249) 11.119 7.715 ( 0.000 -4.921 -9.732) 10.905 8.727 ( 0.000 3.450 -8.156) 8.856 8.908 ( 0.000 -2.801 -10.513) 10.879 9.060 ( 0.000 -0.607 -3.400) 3.454 9.135 ( 0.000 -5.937 -2.814) 6.570 9.718 ( 0.000 3.928 1.463) 4.192 9.744 ( 0.000 -0.539 1.901) 1.976 9.820 ( 0.000 11.577 1.066) 11.626 10.458 ( 0.000 -17.702 -5.255) 18.465 11.054 ( 0.000 -1.675 -5.467) 5.718 11.074 ( 0.000 -6.515 -2.183) 6.870 11.125 ( 0.000 3.475 -3.446) 4.894 11.238 ( 0.000 -7.981 -7.100) 10.682 11.242 ( 0.000 -0.950 -3.146) 3.286 11.584 ( 0.000 -4.146 3.496) 5.423 11.667 ( 0.000 -9.474 -9.677) 13.543 11.722 ( 0.000 -1.133 -7.420) 7.506 12.102 ( 0.000 -6.380 -4.977) 8.091 12.117 ( 0.000 -13.965 4.231) 14.592 12.338 ( 0.000 0.907 -3.463) 3.580 12.372 ( 0.000 -0.903 -5.302) 5.378 12.509 ( 0.000 0.679 4.752) 4.800 12.540 ( 0.000 -1.327 3.793) 4.019 12.721 ( 0.000 1.877 4.202) 4.602 12.798 ( 0.000 1.310 1.332) 1.868 12.902 ( 0.000 2.601 -5.039) 5.671 12.945 ( 0.000 -2.763 5.242) 5.926 13.046 ( 0.000 0.205 -6.130) 6.134 13.106 ( 0.000 -0.612 7.608) 7.633 13.302 ( 0.000 -1.773 0.550) 1.857 13.365 ( 0.000 -1.901 3.188) 3.712 13.605 ( 0.000 3.426 -5.060) 6.111 13.711 ( 0.000 -1.190 -3.664) 3.853 13.816 ( 0.000 6.630 3.988) 7.737 14.064 ( 0.000 -4.416 4.434) 6.258 14.394 ( 0.000 5.073 3.367) 6.089 14.498 ( 0.000 1.850 2.088) 2.790 14.751 ( 0.000 7.917 7.773) 11.095 14.905 ( 0.000 -1.768 4.896) 5.205 14.905 ( 0.000 0.924 11.235) 11.273 15.070 ( 0.000 -3.367 13.808) 14.213 15.307 ( 0.000 -2.035 6.206) 6.531 15.322 ( 0.000 -2.913 6.283) 6.925 15.716 ( 0.000 6.648 -3.902) 7.708 15.975 ( 0.000 5.253 0.078) 5.254 16.001 ( 0.000 -6.749 -3.079) 7.418 16.112 ( 0.000 -1.282 2.301) 2.634 16.448 ( 0.000 1.276 3.247) 3.489 16.540 ( 0.000 -5.222 6.480) 8.322 16.585 ( 0.000 4.462 -3.099) 5.432 16.690 ( 0.000 -0.451 -7.473) 7.487 17.298 ( 0.000 9.433 4.070) 10.274 17.654 ( 0.000 -8.659 -3.614) 9.383 24.021 ( 0.000 1.833 2.226) 2.884 24.093 ( 0.000 -1.730 1.459) 2.263 24.379 ( 0.000 0.983 2.790) 2.959 24.411 ( 0.000 -0.455 3.190) 3.222 25.653 ( 0.000 0.638 7.378) 7.405 25.734 ( 0.000 1.794 9.901) 10.063 25.743 ( 0.000 -3.697 5.772) 6.854 25.888 ( 0.000 -6.115 6.918) 9.233 26.392 ( 0.000 0.738 0.977) 1.225 26.411 ( 0.000 -0.675 0.827) 1.067 26.786 ( 0.000 -1.555 7.284) 7.448 26.807 ( 0.000 -1.715 6.863) 7.074 27.604 ( 0.000 15.225 -9.948) 18.187 27.918 ( 0.000 2.082 -13.716) 13.874 28.255 ( 0.000 7.995 -4.381) 9.117 28.581 ( 0.000 -4.964 -9.493) 10.713 ======================= Grid point 106 (41/90) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( -0.016 8.566 1.434) 8.686 1.849 ( 2.465 1.618 5.169) 5.951 2.053 ( -6.140 6.335 6.716) 11.087 2.090 ( 2.236 6.890 5.862) 9.318 2.257 ( -4.227 -1.786 1.373) 4.790 2.397 ( -5.355 3.080 3.768) 7.237 2.493 ( 2.338 -6.165 -3.126) 7.297 2.647 ( -0.365 -5.510 -3.729) 6.664 3.541 ( 0.485 14.568 -0.984) 14.609 3.601 ( 3.857 10.086 -0.102) 10.799 3.681 ( -2.928 19.763 -0.362) 19.982 3.765 ( -0.374 15.054 -2.005) 15.191 4.283 ( 6.495 9.668 5.536) 12.896 4.597 ( 6.189 -8.507 4.615) 11.488 4.724 ( -3.266 2.625 4.042) 5.822 4.976 ( -2.236 -8.928 5.956) 10.963 5.538 ( -0.873 12.542 -1.424) 12.653 5.643 ( 3.216 15.981 -2.606) 16.508 5.769 ( -2.800 14.049 5.467) 15.333 5.886 ( -3.292 4.170 0.643) 5.352 6.157 ( 3.164 1.504 0.877) 3.611 6.282 ( 0.287 11.047 -1.761) 11.190 6.453 ( 6.953 -3.378 2.343) 8.077 6.785 ( 5.900 0.218 -7.212) 9.321 6.912 ( -3.917 -6.661 -1.432) 7.859 7.023 ( 4.269 -4.946 -2.637) 7.046 7.308 ( -9.831 8.050 -6.267) 14.167 7.632 ( -8.453 -5.073 -8.888) 13.273 8.748 ( 2.184 3.764 -7.464) 8.640 8.903 ( -0.802 -1.083 -9.599) 9.693 9.051 ( -0.790 -1.719 -3.323) 3.824 9.116 ( -1.873 -6.694 -3.594) 7.826 9.688 ( -0.423 5.716 2.045) 6.086 9.797 ( -0.506 10.353 -0.068) 10.366 9.854 ( 6.997 -3.621 -0.285) 7.883 10.395 ( -6.458 -16.481 -5.241) 18.461 11.026 ( -1.506 -2.898 -2.178) 3.926 11.105 ( 1.867 -1.340 -4.222) 4.807 11.115 ( -0.576 0.578 -2.120) 2.271 11.239 ( 0.947 -5.251 -4.732) 7.131 11.316 ( 5.352 -4.653 -6.357) 9.524 11.564 ( -2.400 -5.585 1.617) 6.291 11.692 ( 2.845 -8.675 -8.429) 12.426 11.772 ( 4.865 -2.177 -7.059) 8.845 12.026 ( -6.486 -11.184 1.019) 12.968 12.101 ( -0.069 -6.261 -2.709) 6.822 12.303 ( -3.916 1.225 -3.961) 5.703 12.353 ( -2.666 -1.631 -5.328) 6.177 12.525 ( 1.789 1.236 5.091) 5.536 12.570 ( 2.049 -2.029 4.468) 5.318 12.719 ( 0.226 4.663 3.916) 6.093 12.777 ( -4.797 3.994 0.181) 6.244 12.832 ( -0.772 -0.299 0.364) 0.904 13.025 ( 5.391 -7.149 3.907) 9.769 13.080 ( 0.407 -0.075 -1.385) 1.445 13.135 ( 2.683 -0.777 4.178) 5.026 13.278 ( -0.350 0.864 0.647) 1.134 13.362 ( 1.303 -2.438 0.667) 2.844 13.603 ( -2.082 4.100 -4.468) 6.411 13.688 ( -2.886 0.626 -3.814) 4.823 13.892 ( 7.792 2.608 2.695) 8.648 14.035 ( -1.987 -3.588 4.498) 6.087 14.334 ( -8.197 4.509 3.338) 9.933 14.388 ( -6.637 2.793 3.117) 7.846 14.753 ( 0.368 7.310 8.978) 11.583 14.827 ( -3.155 5.244 9.173) 11.027 15.011 ( 5.227 -6.469 9.352) 12.515 15.117 ( 2.465 -6.494 15.861) 17.315 15.353 ( 5.069 0.210 3.361) 6.086 15.397 ( 7.690 -0.920 1.620) 7.913 15.702 ( -1.852 5.550 -4.433) 7.341 15.924 ( -6.336 -1.069 1.367) 6.570 16.007 ( 1.892 1.716 -1.759) 3.101 16.117 ( 0.546 -1.497 1.667) 2.306 16.346 ( -6.837 1.018 0.611) 6.939 16.429 ( -5.192 -2.399 0.277) 5.726 16.765 ( 7.534 2.117 -2.332) 8.166 16.833 ( 15.613 -1.777 -0.561) 15.724 17.249 ( -5.062 8.895 3.725) 10.891 17.593 ( -6.466 -8.531 -3.380) 11.226 24.059 ( 3.886 1.843 2.308) 4.881 24.133 ( 4.029 -1.830 1.539) 4.685 24.347 ( -3.252 1.180 2.792) 4.445 24.389 ( -2.366 -0.741 2.941) 3.847 25.658 ( 0.541 0.705 7.532) 7.584 25.722 ( -1.121 1.568 9.371) 9.567 25.753 ( 0.944 -3.857 6.157) 7.327 25.867 ( -2.051 -5.799 6.879) 9.228 26.428 ( 3.786 0.806 1.233) 4.062 26.455 ( 4.430 -1.064 1.041) 4.673 26.746 ( -4.083 -0.933 5.996) 7.314 26.772 ( -3.618 -1.841 5.719) 7.013 27.656 ( 5.345 15.450 -8.530) 18.440 27.951 ( 2.634 5.561 -12.125) 13.597 28.217 ( -3.113 4.834 -4.846) 7.520 28.519 ( -6.270 -4.831 -9.280) 12.197 ======================= Grid point 107 (42/90) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 4.209 7.223 5.400) 9.952 1.836 ( -5.902 5.589 6.862) 10.638 2.004 ( 4.050 -3.413 3.187) 6.181 2.119 ( -4.955 -2.168 4.040) 6.751 2.184 ( 2.730 5.271 3.894) 7.100 2.287 ( -6.221 7.126 4.475) 10.464 2.550 ( 3.542 -7.245 -2.827) 8.546 2.614 ( -2.952 -6.774 -2.762) 7.888 3.566 ( 2.248 16.499 -1.791) 16.747 3.620 ( -3.262 18.039 -1.312) 18.379 3.679 ( 3.917 11.476 -2.118) 12.309 3.739 ( -2.406 12.847 -2.504) 13.308 4.442 ( 9.521 7.253 6.833) 13.782 4.604 ( -7.132 4.745 5.181) 10.011 4.762 ( 8.300 -9.967 5.302) 14.013 4.903 ( -5.905 -10.061 3.931) 12.311 5.560 ( 3.473 13.762 0.848) 14.219 5.655 ( -4.903 15.263 4.481) 16.645 5.745 ( 3.042 16.623 -5.884) 17.894 5.815 ( -3.354 7.285 -4.572) 9.231 6.226 ( 2.529 5.158 7.488) 9.438 6.258 ( -1.492 11.667 3.653) 12.316 6.637 ( 10.855 -10.243 -2.397) 15.116 6.805 ( -6.722 -6.935 -5.037) 10.893 6.907 ( 6.377 4.515 -3.713) 8.651 7.069 ( -9.269 7.245 -6.462) 13.422 7.193 ( 9.091 -3.715 -3.778) 10.522 7.425 ( -12.925 -4.832 -6.699) 15.339 8.802 ( 3.399 4.032 -6.164) 8.113 8.867 ( -3.109 2.365 -7.000) 8.016 9.047 ( 0.752 -4.585 -4.296) 6.328 9.076 ( -2.102 -6.934 -4.915) 8.756 9.709 ( 2.367 7.516 0.468) 7.894 9.761 ( -2.738 9.413 -0.788) 9.835 10.028 ( 10.775 -9.702 -2.691) 14.747 10.232 ( -10.436 -13.566 -4.505) 17.699 11.024 ( 1.415 -0.647 -0.753) 1.729 11.069 ( -2.857 2.331 -0.905) 3.797 11.171 ( 3.784 -5.087 -3.573) 7.277 11.232 ( -2.156 -5.349 -3.560) 6.777 11.418 ( 5.262 -3.729 -7.314) 9.751 11.504 ( -3.859 -4.093 -3.740) 6.755 11.750 ( 3.302 -13.735 -4.107) 14.712 11.819 ( -2.902 -15.018 -3.280) 15.644 12.005 ( 7.144 2.280 -3.627) 8.330 12.129 ( 0.998 -0.714 -5.733) 5.862 12.199 ( -4.655 -0.666 -2.769) 5.458 12.267 ( -6.081 -2.163 -4.678) 7.971 12.573 ( 3.411 1.770 4.234) 5.718 12.616 ( 2.465 0.591 4.105) 4.825 12.668 ( -4.638 2.473 2.606) 5.867 12.693 ( -3.175 2.937 4.624) 6.332 12.888 ( 5.539 0.540 1.917) 5.886 13.007 ( -6.455 0.185 2.684) 6.994 13.124 ( 4.134 -8.581 4.930) 10.725 13.162 ( -0.135 -4.463 5.193) 6.849 13.353 ( 7.006 3.245 -2.683) 8.173 13.442 ( 6.962 -1.147 -2.223) 7.398 13.500 ( -7.647 3.839 -3.315) 9.176 13.593 ( -7.459 -0.455 -4.255) 8.600 14.029 ( 3.864 1.430 1.576) 4.412 14.069 ( 6.337 1.893 2.935) 7.236 14.169 ( -5.252 2.509 4.330) 7.254 14.267 ( -7.759 -0.392 4.309) 8.884 14.765 ( 0.792 8.124 9.167) 12.274 14.784 ( -1.475 8.185 9.163) 12.375 15.088 ( 3.059 -9.296 13.506) 16.679 15.127 ( -1.079 -9.014 16.105) 18.487 15.484 ( 8.062 2.911 -2.801) 9.018 15.563 ( 7.375 1.291 -2.996) 8.064 15.640 ( -3.171 2.246 -1.889) 4.321 15.769 ( -9.555 -1.078 2.070) 9.836 16.059 ( 3.437 4.358 1.609) 5.779 16.117 ( -1.699 2.829 2.755) 4.299 16.273 ( 0.152 -3.185 -2.735) 4.201 16.333 ( -4.856 -4.196 -2.862) 7.027 16.927 ( 9.375 5.990 0.961) 11.167 17.077 ( -1.082 5.453 1.939) 5.887 17.175 ( 8.298 -2.915 -0.462) 8.807 17.418 ( -12.085 -7.854 -2.650) 14.654 24.154 ( 5.902 1.778 2.501) 6.652 24.227 ( 5.512 -1.778 1.872) 6.087 24.264 ( -5.470 1.522 2.681) 6.279 24.324 ( -4.548 -1.330 2.406) 5.314 25.673 ( 1.067 0.927 8.007) 8.131 25.697 ( -1.395 1.287 8.720) 8.924 25.779 ( 1.888 -4.496 6.448) 8.084 25.822 ( -2.522 -5.168 6.733) 8.855 26.524 ( 6.123 0.732 2.142) 6.529 26.560 ( 6.306 -1.701 1.969) 6.822 26.645 ( -6.217 0.151 3.582) 7.177 26.680 ( -5.913 -1.963 3.449) 7.121 27.789 ( 8.371 16.161 -6.343) 19.274 27.935 ( -5.728 15.598 -6.924) 18.001 28.223 ( 5.354 -4.601 -8.333) 10.921 28.370 ( -8.894 -5.039 -9.117) 13.697 ======================= Grid point 110 (43/90) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 0.000 -3.141 -1.958) 3.701 1.806 ( 0.000 3.141 -1.958) 3.701 2.244 ( 0.000 -4.264 2.801) 5.102 2.244 ( 0.000 4.264 2.801) 5.102 2.287 ( 0.000 -10.551 3.756) 11.200 2.287 ( 0.000 10.551 3.756) 11.200 2.541 ( 0.000 -5.280 -1.350) 5.449 2.541 ( 0.000 5.280 -1.350) 5.449 3.661 ( 0.000 -0.622 0.294) 0.688 3.661 ( 0.000 0.622 0.294) 0.688 3.922 ( 0.000 -0.523 -1.486) 1.575 3.922 ( 0.000 0.523 -1.486) 1.575 4.380 ( 0.000 -6.730 3.877) 7.767 4.380 ( 0.000 6.730 3.877) 7.767 4.850 ( 0.000 -6.313 4.881) 7.980 4.850 ( 0.000 6.313 4.881) 7.980 5.735 ( 0.000 -7.202 0.920) 7.261 5.735 ( 0.000 7.202 0.920) 7.261 5.917 ( 0.000 -16.207 -8.062) 18.101 5.917 ( 0.000 16.207 -8.062) 18.101 6.223 ( 0.000 -14.440 6.957) 16.029 6.223 ( 0.000 14.440 6.957) 16.029 6.632 ( 0.000 -10.887 -1.812) 11.036 6.632 ( 0.000 10.887 -1.812) 11.036 6.853 ( 0.000 -1.734 3.566) 3.965 6.853 ( 0.000 1.734 3.566) 3.965 7.585 ( 0.000 -8.440 -12.300) 14.917 7.585 ( 0.000 8.440 -12.300) 14.917 8.820 ( 0.000 -5.515 -10.027) 11.444 8.820 ( 0.000 5.515 -10.027) 11.444 9.066 ( 0.000 -1.529 -1.825) 2.381 9.066 ( 0.000 1.529 -1.825) 2.381 9.751 ( 0.000 -0.395 6.001) 6.014 9.751 ( 0.000 0.395 6.001) 6.014 10.102 ( 0.000 -17.500 -3.325) 17.813 10.102 ( 0.000 17.500 -3.325) 17.813 11.025 ( 0.000 -0.658 -2.998) 3.069 11.025 ( 0.000 0.658 -2.998) 3.069 11.139 ( 0.000 -1.975 -6.741) 7.025 11.139 ( 0.000 1.975 -6.741) 7.025 11.398 ( 0.000 -12.032 -2.223) 12.235 11.398 ( 0.000 12.032 -2.223) 12.235 11.639 ( 0.000 -4.691 -5.125) 6.948 11.639 ( 0.000 4.691 -5.125) 6.948 12.013 ( 0.000 -1.881 -4.948) 5.294 12.013 ( 0.000 1.881 -4.948) 5.294 12.353 ( 0.000 -0.897 -3.558) 3.669 12.353 ( 0.000 0.897 -3.558) 3.669 12.524 ( 0.000 -0.583 4.437) 4.476 12.524 ( 0.000 0.583 4.437) 4.476 12.773 ( 0.000 -3.170 3.093) 4.429 12.773 ( 0.000 3.170 3.093) 4.429 12.930 ( 0.000 -0.005 2.081) 2.081 12.930 ( 0.000 0.005 2.081) 2.081 13.066 ( 0.000 -1.945 -3.226) 3.767 13.066 ( 0.000 1.945 -3.226) 3.767 13.322 ( 0.000 -2.310 2.879) 3.692 13.322 ( 0.000 2.310 2.879) 3.692 13.668 ( 0.000 -2.978 -3.421) 4.536 13.668 ( 0.000 2.978 -3.421) 4.536 13.950 ( 0.000 -6.889 3.935) 7.934 13.950 ( 0.000 6.889 3.935) 7.934 14.479 ( 0.000 -3.298 3.962) 5.155 14.479 ( 0.000 3.298 3.962) 5.155 14.868 ( 0.000 -2.906 3.091) 4.242 14.868 ( 0.000 2.906 3.091) 4.242 14.962 ( 0.000 -5.968 18.457) 19.398 14.962 ( 0.000 5.968 18.457) 19.398 15.292 ( 0.000 -0.358 2.300) 2.328 15.292 ( 0.000 0.358 2.300) 2.328 15.855 ( 0.000 -7.626 -4.986) 9.111 15.855 ( 0.000 7.626 -4.986) 9.111 16.069 ( 0.000 -3.697 0.532) 3.735 16.069 ( 0.000 3.697 0.532) 3.735 16.475 ( 0.000 -1.830 6.539) 6.790 16.475 ( 0.000 1.830 6.539) 6.790 16.658 ( 0.000 -2.839 -5.553) 6.236 16.658 ( 0.000 2.839 -5.553) 6.236 17.480 ( 0.000 -9.292 0.936) 9.339 17.480 ( 0.000 9.292 0.936) 9.339 24.057 ( 0.000 -1.909 1.830) 2.645 24.057 ( 0.000 1.909 1.830) 2.645 24.398 ( 0.000 -0.903 2.938) 3.073 24.398 ( 0.000 0.903 2.938) 3.073 25.683 ( 0.000 -2.425 6.565) 6.999 25.683 ( 0.000 2.425 6.565) 6.999 25.790 ( 0.000 -3.987 8.204) 9.121 25.790 ( 0.000 3.987 8.204) 9.121 26.401 ( 0.000 -0.388 0.956) 1.032 26.401 ( 0.000 0.388 0.956) 1.032 26.778 ( 0.000 -0.779 7.806) 7.845 26.778 ( 0.000 0.779 7.806) 7.845 27.841 ( 0.000 -8.806 -12.129) 14.988 27.841 ( 0.000 8.806 -12.129) 14.988 28.440 ( 0.000 -9.338 -6.937) 11.632 28.440 ( 0.000 9.338 -6.937) 11.632 ======================= Grid point 112 (44/90) ======================= q-point: ( 0.20 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.811 ( 0.889 -4.292 -0.658) 4.432 1.811 ( 0.889 4.292 -0.658) 4.432 2.164 ( -7.920 -6.508 3.878) 10.960 2.164 ( -7.920 6.508 3.878) 10.960 2.305 ( 2.429 -10.772 2.305) 11.280 2.305 ( 2.429 10.772 2.305) 11.280 2.525 ( -2.078 -6.675 -0.325) 6.998 2.525 ( -2.078 6.675 -0.325) 6.998 3.692 ( 2.985 -1.252 -0.806) 3.335 3.692 ( 2.985 1.252 -0.806) 3.335 3.893 ( -2.797 -2.216 -1.830) 4.010 3.893 ( -2.797 2.216 -1.830) 4.010 4.443 ( 6.249 -7.240 4.699) 10.655 4.443 ( 6.249 7.240 4.699) 10.655 4.820 ( -3.204 -6.720 4.384) 8.640 4.820 ( -3.204 6.720 4.384) 8.640 5.731 ( 0.644 -7.800 -0.078) 7.827 5.731 ( 0.644 7.800 -0.078) 7.827 5.954 ( 0.430 -12.792 -6.447) 14.331 5.954 ( 0.430 12.792 -6.446) 14.331 6.232 ( 3.594 -14.404 6.466) 16.193 6.232 ( 3.594 14.404 6.466) 16.193 6.632 ( -1.318 -14.866 -2.801) 15.185 6.632 ( -1.318 14.866 -2.801) 15.185 6.898 ( 5.356 -6.026 3.115) 8.643 6.898 ( 5.356 6.026 3.115) 8.643 7.498 ( -8.857 -9.097 -10.695) 16.601 7.498 ( -8.857 9.097 -10.695) 16.601 8.844 ( 2.375 -5.056 -9.051) 10.636 8.844 ( 2.375 5.056 -9.051) 10.636 9.037 ( -2.888 -1.014 -2.076) 3.698 9.037 ( -2.888 1.014 -2.076) 3.698 9.774 ( 2.618 -3.381 4.213) 6.003 9.774 ( 2.618 3.381 4.213) 6.003 10.066 ( -3.815 -16.107 -3.153) 16.850 10.066 ( -3.815 16.107 -3.153) 16.850 11.033 ( 1.247 -2.948 -2.316) 3.951 11.033 ( 1.247 2.948 -2.316) 3.951 11.159 ( 1.059 -2.466 -5.560) 6.174 11.159 ( 1.059 2.466 -5.560) 6.174 11.402 ( 1.127 -10.073 -2.728) 10.497 11.402 ( 1.127 10.073 -2.728) 10.497 11.648 ( -0.520 -5.071 -5.870) 7.775 11.648 ( -0.520 5.071 -5.870) 7.775 11.993 ( 0.066 -4.223 -4.919) 6.483 11.993 ( 0.066 4.223 -4.919) 6.483 12.326 ( -3.235 -1.259 -4.329) 5.549 12.326 ( -3.235 1.259 -4.329) 5.549 12.545 ( 2.174 -0.941 4.888) 5.432 12.545 ( 2.174 0.941 4.888) 5.432 12.803 ( -0.190 -3.084 2.918) 4.250 12.803 ( -0.190 3.084 2.918) 4.250 12.878 ( -0.733 -6.843 1.707) 7.091 12.878 ( -0.733 6.843 1.707) 7.091 13.104 ( 0.980 -1.945 0.510) 2.236 13.104 ( 0.980 1.945 0.510) 2.236 13.316 ( 1.382 -2.364 0.718) 2.831 13.316 ( 1.382 2.364 0.718) 2.831 13.670 ( -1.928 -2.450 -4.130) 5.175 13.670 ( -1.928 2.450 -4.130) 5.175 13.956 ( 2.241 -4.062 4.255) 6.295 13.956 ( 2.241 4.062 4.255) 6.295 14.398 ( -7.605 -1.734 3.777) 8.667 14.398 ( -7.605 1.734 3.777) 8.667 14.882 ( 1.505 -5.635 6.661) 8.854 14.882 ( 1.505 5.635 6.661) 8.854 14.964 ( -0.080 -7.698 16.296) 18.023 14.964 ( -0.080 7.698 16.296) 18.023 15.374 ( 7.806 -1.501 0.363) 7.957 15.374 ( 7.806 1.501 0.363) 7.957 15.824 ( -3.766 -6.728 -3.970) 8.672 15.824 ( -3.766 6.728 -3.970) 8.672 16.078 ( 1.575 -3.299 -0.143) 3.659 16.078 ( 1.575 3.299 -0.143) 3.659 16.378 ( -6.908 -2.290 2.272) 7.624 16.378 ( -6.908 2.290 2.272) 7.624 16.803 ( 11.700 -1.695 -1.312) 11.895 16.803 ( 11.700 1.695 -1.312) 11.895 17.423 ( -5.989 -9.008 0.940) 10.859 17.423 ( -5.989 9.008 0.940) 10.859 24.096 ( 3.926 -1.968 1.917) 4.792 24.096 ( 3.926 1.968 1.917) 4.792 24.371 ( -2.859 -1.149 2.814) 4.173 24.371 ( -2.859 1.149 2.814) 4.173 25.689 ( 0.668 -2.486 6.713) 7.190 25.689 ( 0.668 2.486 6.713) 7.190 25.774 ( -1.519 -3.723 8.050) 8.998 25.774 ( -1.519 3.723 8.050) 8.998 26.440 ( 3.955 -0.566 1.229) 4.180 26.440 ( 3.955 0.566 1.229) 4.180 26.743 ( -3.616 -0.810 6.575) 7.547 26.743 ( -3.616 0.810 6.575) 7.547 27.897 ( 5.763 -8.871 -10.956) 15.229 27.897 ( 5.763 8.871 -10.956) 15.229 28.380 ( -6.170 -9.204 -6.949) 13.079 28.380 ( -6.170 9.204 -6.949) 13.079 ======================= Grid point 114 (45/90) ======================= q-point: ( 0.40 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.860 ( 4.895 -6.209 2.041) 8.166 1.860 ( 4.895 6.209 2.041) 8.166 1.995 ( -9.041 -7.016 3.716) 12.032 1.995 ( -9.041 7.016 3.716) 12.032 2.373 ( 4.557 -9.778 1.595) 10.905 2.373 ( 4.557 9.778 1.595) 10.905 2.461 ( -4.469 -8.407 0.843) 9.558 2.461 ( -4.469 8.407 0.843) 9.558 3.759 ( 3.902 -3.141 -2.236) 5.485 3.759 ( 3.902 3.141 -2.236) 5.485 3.831 ( -3.705 -3.381 -2.385) 5.554 3.831 ( -3.705 3.381 -2.385) 5.554 4.586 ( 8.335 -7.725 5.316) 12.546 4.586 ( 8.335 7.725 5.316) 12.546 4.729 ( -6.487 -7.555 4.553) 10.950 4.729 ( -6.487 7.555 4.553) 10.950 5.779 ( 4.514 -7.550 -0.990) 8.852 5.779 ( 4.514 7.550 -0.990) 8.852 5.885 ( -6.052 -4.224 -2.215) 7.705 5.885 ( -6.052 4.224 -2.215) 7.705 6.381 ( 10.237 -12.536 1.765) 16.281 6.381 ( 10.237 12.536 1.765) 16.281 6.552 ( -7.178 -15.892 -1.276) 17.484 6.552 ( -7.178 15.892 -1.276) 17.484 7.056 ( 11.100 -8.665 -1.161) 14.130 7.056 ( 11.100 8.665 -1.161) 14.130 7.287 ( -12.777 -9.851 -6.527) 17.404 7.287 ( -12.777 9.851 -6.527) 17.404 8.900 ( 3.490 -3.322 -6.442) 8.045 8.900 ( 3.490 3.322 -6.442) 8.045 8.970 ( -3.888 -0.885 -3.599) 5.371 8.970 ( -3.888 0.885 -3.599) 5.371 9.852 ( 5.603 -7.996 0.723) 9.790 9.852 ( 5.603 7.996 0.723) 9.790 9.968 ( -6.273 -12.584 -1.986) 14.201 9.968 ( -6.273 12.584 -1.986) 14.201 11.078 ( 3.404 -4.556 -1.549) 5.894 11.078 ( 3.404 4.556 -1.549) 5.894 11.143 ( -2.788 -4.163 -2.477) 5.589 11.143 ( -2.788 4.163 -2.477) 5.589 11.463 ( 5.305 -5.707 -5.161) 9.346 11.463 ( 5.305 5.707 -5.161) 9.346 11.579 ( -6.197 -4.271 -6.101) 9.688 11.579 ( -6.197 4.271 -6.101) 9.688 12.073 ( 7.764 -3.785 -5.369) 10.170 12.073 ( 7.764 3.785 -5.369) 10.170 12.226 ( -7.357 -2.142 -5.276) 9.303 12.226 ( -7.357 2.142 -5.276) 9.303 12.607 ( 4.505 -1.456 4.598) 6.599 12.607 ( 4.505 1.456 4.598) 6.599 12.711 ( -6.320 -1.359 2.950) 7.106 12.711 ( -6.320 1.359 2.950) 7.106 12.962 ( 6.107 -6.911 3.937) 10.028 12.962 ( 6.107 6.911 3.937) 10.028 13.064 ( -4.397 -4.849 4.178) 7.765 13.064 ( -4.397 4.849 4.178) 7.765 13.408 ( 7.547 -2.314 -2.970) 8.434 13.408 ( 7.547 2.314 -2.970) 8.434 13.564 ( -8.279 -2.524 -3.677) 9.404 13.564 ( -8.279 2.524 -3.677) 9.404 14.062 ( 8.270 -1.665 3.668) 9.199 14.062 ( 8.270 1.665 3.668) 9.199 14.233 ( -9.454 -3.060 3.673) 10.594 14.233 ( -9.454 3.060 3.673) 10.594 14.918 ( 2.102 -7.654 10.320) 13.020 14.918 ( 2.102 7.654 10.320) 13.020 14.952 ( -1.316 -8.452 13.264) 15.783 14.952 ( -1.316 8.452 13.264) 15.783 15.543 ( 9.525 -2.781 -1.620) 10.054 15.543 ( 9.525 2.781 -1.620) 10.054 15.711 ( -8.001 -4.293 -2.579) 9.439 15.711 ( -8.001 4.293 -2.579) 9.439 16.141 ( 4.998 -2.608 -0.587) 5.668 16.141 ( 4.998 2.608 -0.587) 5.668 16.252 ( -6.517 -2.799 0.278) 7.098 16.252 ( -6.517 2.799 0.278) 7.098 17.039 ( 12.935 -5.411 0.403) 14.027 17.039 ( 12.935 5.411 0.403) 14.027 17.264 ( -10.692 -7.889 0.873) 13.316 17.264 ( -10.692 7.889 0.873) 13.316 24.190 ( 5.745 -1.943 2.166) 6.440 24.190 ( 5.745 1.943 2.166) 6.440 24.295 ( -5.091 -1.621 2.509) 5.903 24.295 ( -5.091 1.621 2.509) 5.903 25.709 ( 1.406 -2.729 7.120) 7.753 25.709 ( 1.406 2.729 7.120) 7.753 25.740 ( -1.901 -3.188 7.638) 8.492 25.740 ( -1.901 3.188 7.638) 8.492 26.537 ( 6.062 -0.809 2.221) 6.506 26.537 ( 6.062 0.809 2.221) 6.506 26.652 ( -5.866 -0.855 4.156) 7.240 26.652 ( -5.866 0.855 4.156) 7.240 28.043 ( 9.387 -8.967 -8.791) 15.678 28.043 ( 9.387 8.967 -8.791) 15.678 28.226 ( -9.652 -9.038 -7.367) 15.137 28.226 ( -9.652 9.038 -7.367) 15.137 ======================= Grid point 135 (46/90) ======================= q-point: ( 0.00 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 0.000 15.089) 15.089 1.647 ( 0.000 0.000 17.627) 17.627 2.075 ( 0.000 0.000 1.657) 1.657 2.199 ( 0.000 0.000 -1.096) 1.096 2.257 ( 0.000 0.000 6.235) 6.235 2.322 ( 0.000 0.000 3.837) 3.837 2.347 ( 0.000 0.000 -0.481) 0.481 2.498 ( 0.000 0.000 -2.717) 2.717 2.599 ( 0.000 0.000 4.861) 4.861 2.678 ( 0.000 0.000 -7.418) 7.418 2.781 ( 0.000 0.000 12.137) 12.137 2.983 ( 0.000 0.000 -5.438) 5.438 4.124 ( 0.000 0.000 12.419) 12.419 4.527 ( 0.000 0.000 3.749) 3.749 4.703 ( 0.000 0.000 0.622) 0.622 5.059 ( 0.000 0.000 1.170) 1.170 5.260 ( 0.000 0.000 -0.697) 0.697 5.300 ( 0.000 0.000 7.145) 7.145 5.556 ( 0.000 0.000 17.399) 17.399 6.058 ( 0.000 0.000 2.946) 2.946 6.068 ( 0.000 0.000 -2.278) 2.278 6.083 ( 0.000 0.000 -4.818) 4.818 6.152 ( 0.000 0.000 -19.526) 19.526 6.313 ( 0.000 0.000 14.434) 14.434 6.506 ( 0.000 0.000 -25.184) 25.184 7.117 ( 0.000 0.000 -17.363) 17.363 7.244 ( 0.000 0.000 14.669) 14.669 7.880 ( 0.000 0.000 6.783) 6.783 8.619 ( 0.000 0.000 -10.187) 10.187 8.684 ( 0.000 0.000 -12.380) 12.380 9.013 ( 0.000 0.000 -7.635) 7.635 9.129 ( 0.000 0.000 -9.745) 9.745 9.221 ( 0.000 0.000 -11.565) 11.565 9.501 ( 0.000 0.000 -14.773) 14.773 9.897 ( 0.000 0.000 9.280) 9.280 10.485 ( 0.000 0.000 -7.699) 7.699 11.210 ( 0.000 0.000 1.816) 1.816 11.360 ( 0.000 0.000 0.163) 0.163 11.435 ( 0.000 0.000 -1.054) 1.054 11.466 ( 0.000 0.000 0.261) 0.261 11.639 ( 0.000 0.000 -12.309) 12.309 11.676 ( 0.000 0.000 -5.062) 5.062 11.854 ( 0.000 0.000 2.355) 2.355 11.899 ( 0.000 0.000 4.155) 4.155 12.081 ( 0.000 0.000 -6.918) 6.918 12.137 ( 0.000 0.000 -11.876) 11.876 12.476 ( 0.000 0.000 -0.710) 0.710 12.565 ( 0.000 0.000 -7.505) 7.505 12.570 ( 0.000 0.000 4.474) 4.474 12.597 ( 0.000 0.000 5.871) 5.871 12.710 ( 0.000 0.000 -0.229) 0.229 12.801 ( 0.000 0.000 6.793) 6.793 13.121 ( 0.000 0.000 -3.064) 3.064 13.178 ( 0.000 0.000 -3.777) 3.777 13.273 ( 0.000 0.000 5.802) 5.802 13.361 ( 0.000 0.000 6.577) 6.577 13.391 ( 0.000 0.000 3.991) 3.991 13.432 ( 0.000 0.000 1.560) 1.560 13.585 ( 0.000 0.000 -0.671) 0.671 13.596 ( 0.000 0.000 2.340) 2.340 13.647 ( 0.000 0.000 -3.006) 3.006 13.980 ( 0.000 0.000 -6.373) 6.373 14.298 ( 0.000 0.000 5.275) 5.275 14.372 ( 0.000 0.000 3.463) 3.463 14.547 ( 0.000 0.000 3.628) 3.628 14.832 ( 0.000 0.000 -2.453) 2.453 15.060 ( 0.000 0.000 11.074) 11.074 15.082 ( 0.000 0.000 6.890) 6.890 15.546 ( 0.000 0.000 6.093) 6.093 15.558 ( 0.000 0.000 2.189) 2.189 15.696 ( 0.000 0.000 10.090) 10.090 15.861 ( 0.000 0.000 5.719) 5.719 16.238 ( 0.000 0.000 -3.461) 3.461 16.361 ( 0.000 0.000 3.706) 3.706 16.491 ( 0.000 0.000 15.069) 15.069 16.494 ( 0.000 0.000 -5.335) 5.335 16.518 ( 0.000 0.000 1.520) 1.520 16.986 ( 0.000 0.000 3.402) 3.402 17.034 ( 0.000 0.000 2.442) 2.442 17.662 ( 0.000 0.000 -15.692) 15.692 24.025 ( 0.000 0.000 3.229) 3.229 24.163 ( 0.000 0.000 0.168) 0.168 24.417 ( 0.000 0.000 3.379) 3.379 24.483 ( 0.000 0.000 2.893) 2.893 25.854 ( 0.000 0.000 7.725) 7.725 26.038 ( 0.000 0.000 4.284) 4.284 26.138 ( 0.000 0.000 7.522) 7.522 26.218 ( 0.000 0.000 2.506) 2.506 26.261 ( 0.000 0.000 1.423) 1.423 26.407 ( 0.000 0.000 6.146) 6.146 26.801 ( 0.000 0.000 6.140) 6.140 26.812 ( 0.000 0.000 -1.601) 1.601 26.884 ( 0.000 0.000 -3.184) 3.184 27.205 ( 0.000 0.000 -8.189) 8.189 28.084 ( 0.000 0.000 -2.221) 2.221 28.464 ( 0.000 0.000 -7.269) 7.269 ======================= Grid point 136 (47/90) ======================= q-point: ( 0.20 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.589 ( 9.045 0.000 13.110) 15.928 1.712 ( 6.565 0.000 16.044) 17.335 2.049 ( -2.992 0.000 3.844) 4.871 2.156 ( -4.534 0.000 4.566) 6.435 2.273 ( 1.798 0.000 0.658) 1.915 2.325 ( 0.406 0.000 3.194) 3.220 2.353 ( 0.275 0.000 -0.315) 0.419 2.511 ( -2.121 0.000 -1.816) 2.792 2.560 ( -0.015 0.000 1.746) 1.746 2.657 ( -2.002 0.000 -1.967) 2.806 2.833 ( 4.796 0.000 5.454) 7.263 2.990 ( 0.258 0.000 -4.565) 4.572 4.249 ( 13.049 0.000 12.819) 18.292 4.546 ( 2.483 0.000 4.172) 4.855 4.742 ( 3.115 0.000 -0.436) 3.146 5.104 ( 3.058 0.000 4.392) 5.352 5.125 ( -7.121 0.000 6.712) 9.786 5.369 ( -1.050 0.000 4.106) 4.238 5.460 ( -8.183 0.000 13.667) 15.929 5.850 ( -5.603 0.000 -11.699) 12.971 5.970 ( -5.798 0.000 4.875) 7.575 6.058 ( -4.213 0.000 1.512) 4.476 6.332 ( -0.511 0.000 11.128) 11.140 6.353 ( -6.249 0.000 -26.243) 26.977 6.539 ( 16.510 0.000 -11.693) 20.231 7.138 ( 0.830 0.000 -19.669) 19.686 7.242 ( 1.687 0.000 12.841) 12.952 7.796 ( -8.481 0.000 6.006) 10.392 8.643 ( 2.336 0.000 -10.883) 11.131 8.701 ( 1.262 0.000 -11.541) 11.610 9.023 ( 1.193 0.000 -7.944) 8.033 9.081 ( -2.249 0.000 -6.260) 6.652 9.193 ( -2.830 0.000 -11.194) 11.546 9.609 ( -0.255 0.000 -4.450) 4.458 9.739 ( -3.556 0.000 -2.853) 4.559 10.478 ( -4.685 0.000 -11.541) 12.456 11.257 ( 5.357 0.000 3.450) 6.372 11.427 ( -0.795 0.000 -1.002) 1.279 11.449 ( 8.854 0.000 -1.210) 8.936 11.490 ( 2.900 0.000 0.769) 3.001 11.685 ( 0.492 0.000 -3.939) 3.969 11.688 ( 4.955 0.000 -11.912) 12.901 11.821 ( -1.019 0.000 3.870) 4.002 11.952 ( 2.492 0.000 3.602) 4.380 12.006 ( -6.554 0.000 -8.490) 10.726 12.125 ( -3.125 0.000 -11.209) 11.637 12.489 ( 0.950 0.000 -2.374) 2.557 12.567 ( 0.495 0.000 -3.027) 3.068 12.590 ( 1.569 0.000 2.702) 3.124 12.592 ( -0.028 0.000 7.993) 7.993 12.665 ( -3.674 0.000 0.110) 3.676 12.785 ( -1.957 0.000 6.518) 6.805 13.082 ( -3.371 0.000 -0.156) 3.374 13.169 ( -2.672 0.000 -2.732) 3.821 13.291 ( -1.874 0.000 2.644) 3.241 13.309 ( 3.406 0.000 4.652) 5.766 13.397 ( 0.604 0.000 4.197) 4.240 13.425 ( -0.708 0.000 1.544) 1.699 13.558 ( -6.407 0.000 -1.668) 6.621 13.560 ( -2.538 0.000 -0.060) 2.539 13.706 ( 8.894 0.000 4.069) 9.780 14.010 ( 0.354 0.000 -4.010) 4.025 14.302 ( 0.437 0.000 5.061) 5.080 14.363 ( -0.956 0.000 3.592) 3.717 14.506 ( -4.138 0.000 3.050) 5.140 14.641 ( -12.245 0.000 2.681) 12.535 15.102 ( 6.185 0.000 5.217) 8.092 15.295 ( 10.831 0.000 3.078) 11.259 15.580 ( 4.789 0.000 4.351) 6.470 15.641 ( 7.530 0.000 6.361) 9.857 15.751 ( 5.602 0.000 9.051) 10.644 15.847 ( -1.131 0.000 4.631) 4.767 16.180 ( -5.528 0.000 -0.278) 5.535 16.301 ( -11.806 0.000 3.621) 12.349 16.387 ( 2.227 0.000 1.483) 2.676 16.508 ( -1.111 0.000 1.174) 1.616 16.602 ( 3.929 0.000 6.535) 7.625 16.939 ( -4.792 0.000 3.126) 5.721 17.111 ( 7.888 0.000 -0.836) 7.932 17.617 ( -4.731 0.000 -14.774) 15.513 24.066 ( 4.160 0.000 3.332) 5.330 24.209 ( 4.464 0.000 0.092) 4.465 24.382 ( -3.576 0.000 3.505) 5.007 24.464 ( -2.145 0.000 2.485) 3.283 25.865 ( 1.174 0.000 7.984) 8.070 26.000 ( -2.964 0.000 7.513) 8.077 26.191 ( 4.472 0.000 3.584) 5.731 26.222 ( 0.392 0.000 2.418) 2.450 26.257 ( -0.453 0.000 1.546) 1.611 26.399 ( -1.071 0.000 5.234) 5.343 26.816 ( 1.985 0.000 5.985) 6.305 26.819 ( 0.753 0.000 -1.770) 1.924 26.878 ( -0.685 0.000 -3.047) 3.123 27.153 ( -5.395 0.000 -5.557) 7.745 28.116 ( 3.318 0.000 -2.829) 4.360 28.420 ( -4.357 0.000 -6.609) 7.916 ======================= Grid point 137 (48/90) ======================= q-point: ( 0.40 0.00 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 10.586 0.000 10.207) 14.705 1.868 ( 9.376 0.000 12.477) 15.607 1.955 ( -7.263 0.000 7.714) 10.595 2.036 ( -8.091 0.000 8.722) 11.897 2.314 ( 2.236 0.000 -1.391) 2.634 2.346 ( 2.260 0.000 1.172) 2.545 2.347 ( -1.050 0.000 -0.928) 1.402 2.418 ( -5.253 0.000 -0.499) 5.276 2.602 ( 2.348 0.000 -0.310) 2.369 2.632 ( -0.953 0.000 -0.580) 1.116 2.921 ( 4.102 0.000 -0.242) 4.110 2.977 ( -1.827 0.000 -2.999) 3.511 4.581 ( 21.263 0.000 13.630) 25.257 4.627 ( 6.024 0.000 3.977) 7.218 4.742 ( -4.510 0.000 0.731) 4.569 4.974 ( -18.051 0.000 13.702) 22.663 5.086 ( 4.357 0.000 8.058) 9.160 5.238 ( -9.963 0.000 5.477) 11.370 5.477 ( 11.771 0.000 3.525) 12.288 5.757 ( -15.508 0.000 4.508) 16.150 5.916 ( 9.861 0.000 -16.417) 19.151 6.080 ( 6.191 0.000 9.415) 11.268 6.140 ( -13.036 0.000 -20.847) 24.587 6.236 ( -8.749 0.000 12.338) 15.125 6.875 ( 15.933 0.000 -17.175) 23.428 7.091 ( -6.814 0.000 -20.774) 21.863 7.361 ( 10.647 0.000 7.974) 13.302 7.591 ( -12.659 0.000 5.573) 13.831 8.689 ( 2.160 0.000 -11.194) 11.400 8.713 ( -0.250 0.000 -10.958) 10.961 9.061 ( 2.887 0.000 -8.891) 9.348 9.117 ( 6.902 0.000 0.521) 6.922 9.127 ( -3.898 0.000 -10.179) 10.899 9.338 ( -15.945 0.000 6.057) 17.056 9.973 ( 16.831 0.000 -16.407) 23.505 10.280 ( -14.933 0.000 -15.282) 21.367 11.357 ( 3.876 0.000 1.255) 4.074 11.404 ( -1.695 0.000 -0.534) 1.777 11.583 ( 6.207 0.000 1.205) 6.322 11.649 ( 11.285 0.000 -4.663) 12.211 11.670 ( -2.628 0.000 -1.417) 2.986 11.800 ( 3.098 0.000 -8.838) 9.365 11.848 ( 4.122 0.000 5.232) 6.661 11.872 ( -3.867 0.000 -10.500) 11.190 11.940 ( -3.969 0.000 5.263) 6.592 12.003 ( -9.126 0.000 -11.710) 14.846 12.518 ( 2.467 0.000 -0.128) 2.470 12.564 ( -1.612 0.000 1.287) 2.063 12.584 ( 0.127 0.000 3.990) 3.992 12.603 ( -1.844 0.000 1.283) 2.246 12.653 ( 3.658 0.000 5.528) 6.629 12.728 ( -3.899 0.000 6.285) 7.396 13.050 ( 1.181 0.000 0.600) 1.325 13.104 ( -3.527 0.000 -2.415) 4.275 13.329 ( 4.486 0.000 1.549) 4.746 13.374 ( 2.658 0.000 2.794) 3.856 13.405 ( -0.983 0.000 3.354) 3.495 13.427 ( 2.632 0.000 2.493) 3.626 13.437 ( -6.565 0.000 1.287) 6.689 13.496 ( -4.014 0.000 1.435) 4.263 13.869 ( 7.575 0.000 0.687) 7.606 13.974 ( -3.742 0.000 -2.013) 4.249 14.316 ( 1.087 0.000 4.526) 4.655 14.340 ( -1.383 0.000 3.966) 4.200 14.427 ( -2.090 0.000 3.609) 4.171 14.471 ( -6.035 0.000 4.633) 7.608 15.243 ( 7.923 0.000 2.846) 8.419 15.359 ( -3.138 0.000 1.973) 3.707 15.714 ( 7.324 0.000 4.815) 8.765 15.788 ( 2.440 0.000 8.469) 8.813 15.851 ( 6.380 0.000 2.305) 6.783 15.888 ( 8.510 0.000 6.531) 10.727 16.049 ( -8.232 0.000 3.385) 8.901 16.065 ( -12.992 0.000 4.182) 13.649 16.433 ( 2.541 0.000 0.330) 2.563 16.477 ( -2.106 0.000 0.532) 2.172 16.685 ( 5.874 0.000 4.979) 7.700 16.818 ( -7.618 0.000 3.266) 8.289 17.297 ( 10.947 0.000 -6.939) 12.961 17.488 ( -8.933 0.000 -11.896) 14.877 24.169 ( 6.426 0.000 3.514) 7.323 24.287 ( -4.950 0.000 3.118) 5.851 24.311 ( 4.493 0.000 1.000) 4.603 24.403 ( -4.264 0.000 1.539) 4.534 25.897 ( 2.178 0.000 8.611) 8.882 25.945 ( -2.838 0.000 8.930) 9.370 26.232 ( 0.660 0.000 2.176) 2.274 26.245 ( -0.697 0.000 1.844) 1.972 26.281 ( 4.784 0.000 1.605) 5.047 26.358 ( -3.309 0.000 2.957) 4.438 26.838 ( 1.180 0.000 -2.191) 2.489 26.860 ( -1.138 0.000 -2.677) 2.909 26.889 ( 5.864 0.000 4.391) 7.326 27.023 ( -7.820 0.000 -0.047) 7.820 28.202 ( 5.721 0.000 -4.124) 7.053 28.317 ( -6.236 0.000 -5.401) 8.250 ======================= Grid point 140 (49/90) ======================= q-point: ( 0.00 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.520 ( 0.000 2.814 12.354) 12.670 1.806 ( 0.000 12.402 17.500) 21.449 2.081 ( 0.000 1.403 4.046) 4.283 2.207 ( 0.000 -3.371 5.567) 6.508 2.322 ( 0.000 7.807 -1.485) 7.947 2.463 ( 0.000 6.167 4.139) 7.427 2.480 ( 0.000 9.512 -6.045) 11.270 2.497 ( 0.000 -1.091 0.115) 1.097 2.724 ( 0.000 14.938 -0.270) 14.941 2.825 ( 0.000 17.124 -3.287) 17.437 2.860 ( 0.000 12.814 10.747) 16.724 3.044 ( 0.000 7.899 -4.648) 9.165 4.134 ( 0.000 1.390 11.964) 12.045 4.568 ( 0.000 3.822 3.328) 5.067 4.808 ( 0.000 10.290 -0.421) 10.299 5.008 ( 0.000 -5.125 1.369) 5.305 5.305 ( 0.000 4.568 -0.953) 4.666 5.388 ( 0.000 7.726 7.758) 10.949 5.614 ( 0.000 6.444 19.031) 20.093 5.837 ( 0.000 -12.077 -1.036) 12.121 6.132 ( 0.000 3.268 -7.918) 8.566 6.180 ( 0.000 2.447 -0.145) 2.452 6.200 ( 0.000 5.875 -14.785) 15.909 6.245 ( 0.000 -2.548 2.941) 3.891 6.689 ( 0.000 13.663 -10.413) 17.179 7.041 ( 0.000 -6.231 -12.745) 14.186 7.259 ( 0.000 0.691 8.964) 8.991 7.844 ( 0.000 -3.604 3.747) 5.198 8.573 ( 0.000 -3.315 -10.644) 11.149 8.687 ( 0.000 0.319 -12.766) 12.770 8.989 ( 0.000 -1.749 -7.081) 7.294 9.194 ( 0.000 -2.747 -10.950) 11.289 9.276 ( 0.000 13.087 -6.543) 14.631 9.547 ( 0.000 4.509 -11.766) 12.601 9.859 ( 0.000 -3.646 9.096) 9.799 10.512 ( 0.000 2.276 -8.232) 8.541 11.153 ( 0.000 -5.575 1.199) 5.703 11.285 ( 0.000 -6.576 1.291) 6.702 11.366 ( 0.000 -6.725 -1.583) 6.909 11.460 ( 0.000 -1.954 -1.899) 2.725 11.532 ( 0.000 -9.326 -7.368) 11.885 11.669 ( 0.000 -2.195 -9.813) 10.055 11.740 ( 0.000 -9.178 1.288) 9.268 11.847 ( 0.000 -4.508 2.573) 5.190 12.121 ( 0.000 3.030 -7.492) 8.081 12.160 ( 0.000 1.885 -11.101) 11.260 12.451 ( 0.000 -4.221 2.562) 4.937 12.575 ( 0.000 1.151 2.325) 2.594 12.583 ( 0.000 0.270 -4.084) 4.093 12.607 ( 0.000 1.330 3.749) 3.978 12.712 ( 0.000 0.877 -0.687) 1.113 12.818 ( 0.000 0.818 4.481) 4.555 13.012 ( 0.000 -10.437 2.800) 10.806 13.072 ( 0.000 -8.361 -2.615) 8.761 13.235 ( 0.000 -3.786 6.950) 7.915 13.270 ( 0.000 -5.699 5.120) 7.662 13.341 ( 0.000 -0.788 -5.588) 5.643 13.478 ( 0.000 2.292 3.976) 4.589 13.578 ( 0.000 0.821 -2.641) 2.766 13.659 ( 0.000 -2.855 0.605) 2.919 13.711 ( 0.000 5.251 3.784) 6.473 14.031 ( 0.000 4.686 -4.522) 6.512 14.287 ( 0.000 -1.393 2.039) 2.470 14.314 ( 0.000 1.934 3.999) 4.442 14.609 ( 0.000 5.660 5.153) 7.654 14.921 ( 0.000 5.501 -1.753) 5.774 15.064 ( 0.000 0.527 11.011) 11.023 15.132 ( 0.000 4.467 7.532) 8.757 15.559 ( 0.000 1.381 5.087) 5.271 15.571 ( 0.000 0.368 3.574) 3.593 15.721 ( 0.000 1.615 11.236) 11.351 15.859 ( 0.000 0.137 4.083) 4.085 16.239 ( 0.000 -0.228 0.979) 1.005 16.290 ( 0.000 -5.949 1.875) 6.237 16.419 ( 0.000 -5.712 0.138) 5.714 16.516 ( 0.000 1.441 -5.219) 5.415 16.534 ( 0.000 1.611 10.539) 10.661 16.949 ( 0.000 -7.794 3.742) 8.646 17.059 ( 0.000 6.506 3.516) 7.395 17.650 ( 0.000 -1.123 -14.029) 14.073 24.029 ( 0.000 0.425 3.133) 3.162 24.157 ( 0.000 -0.617 0.276) 0.676 24.415 ( 0.000 -0.058 3.229) 3.229 24.482 ( 0.000 -0.166 2.781) 2.786 25.835 ( 0.000 -1.787 6.931) 7.158 25.994 ( 0.000 -3.733 3.902) 5.400 26.017 ( 0.000 -5.600 9.843) 11.324 26.268 ( 0.000 -3.391 5.267) 6.264 26.355 ( 0.000 -0.516 1.591) 1.673 26.367 ( 0.000 7.247 1.105) 7.331 26.839 ( 0.000 3.793 4.968) 6.250 26.906 ( 0.000 9.159 -2.620) 9.526 26.919 ( 0.000 1.892 1.408) 2.358 27.298 ( 0.000 9.201 -10.690) 14.104 28.079 ( 0.000 -0.350 -2.574) 2.597 28.455 ( 0.000 -0.752 -7.986) 8.021 ======================= Grid point 141 (50/90) ======================= q-point: ( 0.20 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( 7.315 1.396 11.436) 13.646 1.862 ( 5.368 10.859 15.384) 19.581 2.048 ( -3.300 1.516 7.186) 8.051 2.218 ( 1.119 -2.232 3.128) 4.002 2.311 ( -1.901 6.014 -0.472) 6.325 2.372 ( -5.639 5.088 3.597) 8.404 2.525 ( 2.206 2.439 -2.094) 3.899 2.537 ( 2.951 6.876 -3.189) 8.134 2.711 ( -0.942 16.988 -0.384) 17.018 2.782 ( -2.693 16.849 0.991) 17.091 2.917 ( 3.893 11.631 3.871) 12.861 3.043 ( -0.290 7.384 -4.034) 8.419 4.251 ( 11.885 0.698 12.353) 17.156 4.597 ( 3.196 4.061 3.853) 6.446 4.838 ( 2.432 9.834 -1.068) 10.186 5.061 ( 4.719 -4.500 2.751) 7.077 5.195 ( -6.540 6.185 5.924) 10.776 5.444 ( -0.076 7.024 4.175) 8.171 5.496 ( -10.780 4.672 14.071) 18.331 5.725 ( -7.349 -10.010 -2.344) 12.637 5.984 ( -5.877 1.964 -4.500) 7.658 6.124 ( -0.849 6.164 0.978) 6.298 6.314 ( 1.203 4.819 -3.602) 6.136 6.505 ( 18.832 -2.581 -11.014) 21.968 6.589 ( -8.799 13.857 -7.234) 17.938 7.077 ( 2.081 -5.345 -15.165) 16.213 7.232 ( -0.757 -1.248 9.359) 9.472 7.763 ( -8.209 -3.254 3.596) 9.535 8.593 ( 1.900 -3.599 -10.586) 11.341 8.690 ( 0.083 -0.550 -12.237) 12.249 8.996 ( 0.905 -1.738 -7.328) 7.585 9.164 ( -2.953 -2.378 -10.731) 11.381 9.248 ( -1.090 13.676 -4.154) 14.334 9.614 ( -1.630 0.595 -2.219) 2.817 9.779 ( 0.819 3.523 -3.099) 4.763 10.476 ( -6.039 -0.237 -11.297) 12.812 11.197 ( 4.995 -5.821 3.043) 8.252 11.336 ( 4.506 -8.629 1.001) 9.786 11.362 ( -0.386 -6.389 -1.339) 6.539 11.501 ( 4.389 -3.001 -1.793) 5.611 11.561 ( 2.981 -8.703 -6.164) 11.073 11.686 ( 1.443 -3.341 -6.016) 7.031 11.752 ( 1.603 -4.414 -3.304) 5.742 11.865 ( 1.250 -7.209 2.966) 7.895 12.051 ( -5.938 3.054 -8.402) 10.732 12.148 ( -3.106 1.610 -10.317) 10.894 12.460 ( 0.908 -4.683 2.924) 5.595 12.557 ( -1.731 -0.714 -1.747) 2.561 12.596 ( 1.709 0.561 3.751) 4.160 12.618 ( 0.846 1.887 3.337) 3.926 12.679 ( -2.997 1.582 -1.043) 3.546 12.782 ( -3.001 -0.837 5.244) 6.100 12.985 ( -1.253 -8.229 3.476) 9.020 13.121 ( 1.989 -5.839 -2.988) 6.854 13.225 ( -0.253 -2.504 3.139) 4.023 13.266 ( 1.781 -3.061 4.321) 5.586 13.373 ( 1.859 -2.333 -2.346) 3.795 13.437 ( -2.545 -0.025 3.566) 4.381 13.547 ( -3.641 0.538 -2.018) 4.197 13.581 ( -5.749 -0.733 0.045) 5.796 13.797 ( 6.768 6.651 4.212) 10.382 14.043 ( -0.296 1.922 -2.999) 3.574 14.269 ( -0.786 -2.776 3.938) 4.881 14.324 ( 0.600 2.159 4.510) 5.036 14.584 ( -2.434 6.794 4.050) 8.275 14.739 ( -11.408 7.091 4.071) 14.035 15.158 ( 6.285 4.451 3.650) 8.523 15.280 ( 10.031 -1.048 4.187) 10.920 15.582 ( 2.982 -0.306 4.750) 5.617 15.634 ( 5.785 -0.840 7.315) 9.364 15.768 ( 4.389 0.837 9.731) 10.708 15.858 ( 0.090 0.903 3.848) 3.954 16.152 ( -6.822 -2.489 2.947) 7.837 16.271 ( -6.263 -2.749 2.775) 7.381 16.387 ( -1.648 -1.358 -0.638) 2.228 16.427 ( -2.165 -4.412 -0.518) 4.942 16.636 ( 4.961 2.286 5.041) 7.433 17.007 ( -4.542 5.056 3.831) 7.802 17.048 ( 9.021 -4.643 -0.430) 10.155 17.604 ( -4.939 -1.304 -13.138) 14.096 24.069 ( 4.136 0.405 3.225) 5.260 24.202 ( 4.420 -0.687 0.241) 4.480 24.381 ( -3.506 0.005 3.353) 4.851 24.461 ( -2.237 -0.257 2.404) 3.294 25.844 ( 1.033 -1.860 7.269) 7.574 25.958 ( -2.384 -3.201 7.962) 8.907 26.057 ( 2.892 -6.160 5.727) 8.894 26.235 ( -2.840 -4.293 5.144) 7.278 26.364 ( 1.728 3.973 0.656) 4.382 26.415 ( 3.190 5.390 0.529) 6.285 26.789 ( -3.610 0.256 3.444) 4.996 26.862 ( -2.722 2.131 -0.244) 3.465 26.994 ( 4.801 9.800 0.119) 10.914 27.270 ( -3.035 11.331 -7.739) 14.054 28.104 ( 2.802 -1.041 -3.252) 4.417 28.409 ( -4.624 -1.023 -7.338) 8.734 ======================= Grid point 142 (51/90) ======================= q-point: ( 0.40 0.12 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 9.219 -0.654 9.879) 13.528 1.906 ( -5.171 -0.252 8.316) 9.796 2.041 ( 6.674 9.979 13.758) 18.260 2.196 ( -7.927 9.600 8.808) 15.251 2.258 ( 1.963 -2.549 -0.180) 3.222 2.306 ( -2.580 0.248 -1.905) 3.216 2.563 ( 1.675 7.089 -3.379) 8.030 2.575 ( 0.672 5.449 -2.978) 6.246 2.707 ( 0.740 17.454 0.107) 17.470 2.736 ( -2.157 16.707 0.611) 16.857 2.983 ( 3.023 8.902 -0.090) 9.402 3.026 ( -1.564 7.377 -2.585) 7.972 4.525 ( 14.768 -2.007 11.717) 18.958 4.668 ( 1.594 0.350 5.942) 6.162 4.860 ( 2.022 11.939 2.156) 12.299 5.032 ( -10.210 5.606 7.492) 13.849 5.177 ( 3.622 6.900 6.891) 10.403 5.301 ( -8.042 4.841 3.796) 10.125 5.426 ( 4.424 -1.244 3.948) 6.059 5.595 ( -9.282 -11.156 0.449) 14.520 5.973 ( 6.134 5.080 -5.792) 9.848 6.126 ( -4.738 4.117 1.793) 6.528 6.270 ( 1.053 12.742 -3.461) 13.246 6.405 ( -9.783 12.916 1.028) 16.236 6.834 ( 14.862 -3.943 -16.032) 22.214 7.038 ( -6.696 -5.078 -18.326) 20.161 7.328 ( 10.663 -3.164 7.859) 13.619 7.561 ( -12.718 -2.984 4.555) 13.835 8.636 ( 2.514 -3.688 -10.250) 11.179 8.678 ( -1.619 -2.436 -10.954) 11.338 9.031 ( 2.861 -2.026 -8.303) 9.013 9.097 ( -3.922 -2.266 -9.788) 10.786 9.277 ( 4.742 12.846 0.075) 13.694 9.429 ( -11.107 7.803 4.461) 14.288 9.987 ( 15.230 1.394 -14.279) 20.924 10.273 ( -14.386 -0.733 -14.094) 20.153 11.292 ( 3.785 -6.226 1.469) 7.433 11.339 ( -1.662 -6.564 -0.208) 6.774 11.447 ( 6.649 -10.591 0.892) 12.537 11.540 ( -2.052 -10.448 -0.539) 10.661 11.668 ( 7.194 -4.827 -5.416) 10.217 11.719 ( 1.485 -5.448 -2.183) 6.054 11.803 ( 3.473 -2.429 -3.688) 5.618 11.896 ( 3.839 -2.861 -3.180) 5.748 11.918 ( -7.937 2.130 -5.521) 9.900 12.030 ( -8.565 1.146 -9.822) 13.082 12.489 ( 2.201 -4.208 3.293) 5.779 12.527 ( -1.625 -2.753 1.926) 3.732 12.618 ( 0.280 2.073 1.101) 2.364 12.635 ( -1.500 1.989 1.162) 2.749 12.649 ( 3.002 -0.131 6.582) 7.235 12.716 ( -3.889 -1.213 5.870) 7.145 13.007 ( 3.764 -3.625 1.504) 5.437 13.091 ( -4.074 -1.518 -1.744) 4.685 13.280 ( 4.704 -3.972 -0.688) 6.195 13.320 ( 3.666 -2.694 4.012) 6.066 13.357 ( -2.922 -4.562 -0.121) 5.419 13.423 ( -6.858 -0.028 0.468) 6.874 13.450 ( 2.800 1.071 1.925) 3.563 13.512 ( -3.205 0.440 -0.173) 3.239 13.912 ( 5.243 3.861 1.731) 6.738 13.998 ( -3.955 1.783 -0.858) 4.422 14.287 ( 2.617 -1.833 5.368) 6.246 14.327 ( -0.726 1.021 4.722) 4.885 14.537 ( -1.583 8.777 3.860) 9.718 14.571 ( -5.782 8.774 5.206) 11.727 15.286 ( 6.664 3.778 1.287) 7.768 15.370 ( -0.992 0.892 0.488) 1.420 15.684 ( 7.105 -4.222 6.515) 10.524 15.738 ( 3.082 -3.668 8.756) 9.981 15.855 ( 3.766 -1.881 5.005) 6.540 15.868 ( 0.921 -1.589 8.097) 8.303 16.025 ( -4.460 0.569 5.155) 6.841 16.100 ( -9.503 2.046 2.326) 9.995 16.384 ( 0.786 -4.591 -1.168) 4.802 16.404 ( -1.019 -5.168 -1.055) 5.372 16.739 ( 6.683 4.414 4.126) 9.010 16.881 ( -7.898 5.562 3.421) 10.248 17.261 ( 12.110 -3.264 -5.982) 13.896 17.468 ( -9.507 -1.937 -10.474) 14.277 24.171 ( 6.354 0.320 3.386) 7.207 24.288 ( -4.196 0.105 2.779) 5.034 24.304 ( 3.913 -0.623 1.314) 4.175 24.399 ( -4.400 -0.478 1.542) 4.687 25.872 ( 1.891 -2.084 8.075) 8.551 25.913 ( -2.366 -2.492 8.687) 9.342 26.116 ( 3.249 -6.498 4.767) 8.689 26.177 ( -3.244 -5.695 4.861) 8.160 26.411 ( 2.940 6.551 -0.216) 7.184 26.449 ( -0.283 7.975 -0.930) 8.034 26.753 ( 0.556 -4.245 2.088) 4.763 26.800 ( -3.580 -2.531 -0.153) 4.388 27.089 ( 5.347 13.680 0.078) 14.688 27.190 ( -5.218 14.252 -2.496) 15.381 28.184 ( 5.577 -1.820 -4.737) 7.540 28.300 ( -6.505 -1.617 -6.117) 9.075 ======================= Grid point 145 (52/90) ======================= q-point: ( 0.00 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 0.000 4.745 6.135) 7.756 1.969 ( 0.000 1.652 11.004) 11.127 2.142 ( 0.000 4.814 6.475) 8.069 2.166 ( 0.000 1.544 8.908) 9.041 2.397 ( 0.000 1.128 -3.953) 4.111 2.408 ( 0.000 -5.353 3.048) 6.159 2.528 ( 0.000 1.379 4.055) 4.283 2.585 ( 0.000 0.652 -6.130) 6.165 3.135 ( 0.000 23.567 -2.456) 23.695 3.273 ( 0.000 24.119 -0.308) 24.121 3.274 ( 0.000 25.415 3.033) 25.595 3.324 ( 0.000 19.607 -3.259) 19.876 4.193 ( 0.000 4.997 10.147) 11.311 4.646 ( 0.000 3.059 2.781) 4.134 4.881 ( 0.000 -6.648 3.473) 7.500 5.065 ( 0.000 15.173 -2.312) 15.348 5.420 ( 0.000 -7.937 8.359) 11.527 5.430 ( 0.000 8.033 -0.676) 8.061 5.781 ( 0.000 9.275 -5.506) 10.786 5.806 ( 0.000 12.761 16.371) 20.757 6.082 ( 0.000 -7.488 0.507) 7.506 6.144 ( 0.000 -2.442 -10.188) 10.477 6.353 ( 0.000 9.356 3.120) 9.863 6.392 ( 0.000 12.863 -5.509) 13.993 6.924 ( 0.000 9.125 -4.088) 9.999 6.926 ( 0.000 -4.580 -9.625) 10.659 7.262 ( 0.000 -0.172 2.596) 2.601 7.749 ( 0.000 -6.138 -0.592) 6.166 8.529 ( 0.000 -0.933 -10.039) 10.082 8.693 ( 0.000 -0.037 -13.297) 13.297 8.957 ( 0.000 -1.226 -7.216) 7.320 9.122 ( 0.000 -4.396 -9.075) 10.083 9.574 ( 0.000 16.207 -0.363) 16.211 9.663 ( 0.000 7.170 -4.083) 8.252 9.784 ( 0.000 -2.686 7.567) 8.030 10.528 ( 0.000 -2.762 -9.244) 9.647 11.027 ( 0.000 -5.819 -0.067) 5.819 11.143 ( 0.000 -7.031 0.624) 7.058 11.199 ( 0.000 -9.740 -2.227) 9.992 11.314 ( 0.000 -12.290 -6.447) 13.878 11.345 ( 0.000 -9.263 -1.161) 9.335 11.583 ( 0.000 -6.267 -9.120) 11.066 11.610 ( 0.000 -2.971 -3.274) 4.422 11.759 ( 0.000 -4.350 -0.598) 4.391 12.180 ( 0.000 2.866 -8.128) 8.618 12.197 ( 0.000 1.762 -9.877) 10.033 12.287 ( 0.000 -12.069 3.446) 12.552 12.499 ( 0.000 -12.412 -4.388) 13.165 12.599 ( 0.000 1.115 6.346) 6.444 12.633 ( 0.000 0.361 3.495) 3.513 12.753 ( 0.000 3.082 -0.354) 3.102 12.786 ( 0.000 -3.260 -0.468) 3.294 12.841 ( 0.000 -3.044 6.993) 7.627 12.936 ( 0.000 -4.248 -3.296) 5.376 13.152 ( 0.000 -6.115 3.404) 6.998 13.237 ( 0.000 3.267 7.359) 8.052 13.362 ( 0.000 -0.079 -7.117) 7.118 13.450 ( 0.000 -3.135 0.564) 3.185 13.476 ( 0.000 -9.206 -0.229) 9.208 13.631 ( 0.000 2.891 -1.907) 3.463 13.821 ( 0.000 5.693 7.044) 9.058 14.120 ( 0.000 3.303 -1.048) 3.465 14.378 ( 0.000 4.697 3.910) 6.112 14.391 ( 0.000 8.875 0.053) 8.875 14.737 ( 0.000 7.012 5.906) 9.168 14.990 ( 0.000 1.611 1.322) 2.084 15.086 ( 0.000 1.954 11.031) 11.203 15.214 ( 0.000 3.221 6.916) 7.630 15.528 ( 0.000 -5.000 5.452) 7.398 15.602 ( 0.000 3.161 2.682) 4.146 15.699 ( 0.000 -5.318 13.170) 14.203 15.891 ( 0.000 3.410 1.755) 3.835 16.160 ( 0.000 -8.398 2.900) 8.885 16.183 ( 0.000 -3.997 0.102) 3.999 16.389 ( 0.000 3.448 -2.334) 4.163 16.541 ( 0.000 1.206 -6.027) 6.147 16.572 ( 0.000 2.011 7.575) 7.837 16.788 ( 0.000 -7.652 5.581) 9.471 17.202 ( 0.000 7.839 2.912) 8.363 17.619 ( 0.000 -2.213 -10.087) 10.327 24.043 ( 0.000 0.973 2.781) 2.946 24.141 ( 0.000 -1.037 0.587) 1.192 24.418 ( 0.000 0.453 2.887) 2.923 24.477 ( 0.000 -0.360 2.530) 2.556 25.800 ( 0.000 -1.424 6.260) 6.420 25.918 ( 0.000 -3.834 4.057) 5.582 25.945 ( 0.000 -2.160 10.542) 10.761 26.139 ( 0.000 -7.271 5.530) 9.135 26.398 ( 0.000 2.527 2.007) 3.227 26.445 ( 0.000 1.414 2.075) 2.511 26.914 ( 0.000 2.847 4.685) 5.482 26.934 ( 0.000 -0.117 5.058) 5.060 27.138 ( 0.000 13.959 -6.357) 15.338 27.507 ( 0.000 10.487 -13.147) 16.817 28.088 ( 0.000 1.888 -2.980) 3.528 28.439 ( 0.000 -1.031 -9.069) 9.127 ======================= Grid point 146 (53/90) ======================= q-point: ( 0.20 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 4.874 3.482 6.631) 8.936 1.991 ( 0.711 1.743 9.979) 10.155 2.103 ( -1.831 0.651 4.565) 4.961 2.179 ( 1.120 3.159 10.585) 11.103 2.346 ( -3.079 -2.105 -0.200) 3.736 2.431 ( -6.563 1.672 2.890) 7.363 2.484 ( 4.914 -2.143 -1.238) 5.502 2.639 ( 2.108 0.267 -3.693) 4.260 3.128 ( -0.407 23.455 -2.000) 23.544 3.230 ( -2.796 25.170 0.852) 25.339 3.296 ( 0.850 22.075 0.450) 22.096 3.329 ( 0.325 20.909 -3.430) 21.190 4.296 ( 10.324 4.302 10.696) 15.475 4.670 ( 2.049 3.135 3.795) 5.332 4.922 ( 4.267 -7.420 3.377) 9.201 5.112 ( 4.230 15.833 -3.488) 16.756 5.287 ( -7.937 -1.685 7.898) 11.323 5.479 ( 0.174 0.361 -0.434) 0.591 5.672 ( -9.085 11.683 4.272) 15.404 5.711 ( -8.738 9.860 5.360) 14.224 6.026 ( -0.294 1.961 -7.157) 7.427 6.259 ( 3.164 6.218 9.249) 11.585 6.427 ( 10.064 -0.011 -10.588) 14.608 6.497 ( 7.457 8.915 -3.403) 12.110 6.825 ( -7.770 8.970 -7.205) 13.883 6.979 ( 2.967 -3.535 -6.640) 8.086 7.204 ( -4.287 -0.951 4.444) 6.247 7.675 ( -7.585 -5.745 0.401) 9.524 8.550 ( 2.123 -0.497 -9.792) 10.032 8.685 ( -0.911 0.066 -12.408) 12.442 8.963 ( 0.606 -1.557 -7.667) 7.847 9.097 ( -2.571 -4.330 -9.356) 10.625 9.557 ( -1.312 16.994 0.618) 17.056 9.638 ( -2.495 2.290 1.268) 3.616 9.847 ( 6.668 2.919 -1.155) 7.370 10.451 ( -8.149 -3.583 -9.991) 13.382 11.067 ( 4.249 -6.126 1.527) 7.610 11.154 ( 0.745 -9.106 0.240) 9.140 11.204 ( 0.664 -9.052 -1.687) 9.232 11.322 ( 1.361 -11.217 -3.703) 11.890 11.396 ( 3.957 -10.242 -3.190) 11.434 11.618 ( 1.514 -2.613 -5.085) 5.914 11.661 ( 6.871 -6.721 -8.165) 12.611 11.733 ( -1.878 -4.689 -0.756) 5.108 12.106 ( -6.400 2.260 -8.407) 10.805 12.165 ( -4.935 -0.643 -8.800) 10.110 12.304 ( 1.750 -10.313 3.092) 10.907 12.451 ( -3.527 -12.089 0.851) 12.622 12.612 ( 1.292 0.761 5.326) 5.533 12.652 ( 1.131 1.121 2.070) 2.611 12.706 ( -3.519 1.301 0.735) 3.823 12.760 ( -2.075 0.183 2.025) 2.905 12.863 ( 2.660 -2.881 4.556) 6.011 13.003 ( 5.062 -3.920 -3.813) 7.452 13.187 ( 2.137 -4.340 1.176) 4.978 13.261 ( 2.103 2.488 6.454) 7.230 13.340 ( -2.853 -2.971 -4.829) 6.347 13.382 ( -1.825 -2.186 0.414) 2.878 13.498 ( 0.278 -4.421 -1.865) 4.806 13.596 ( -4.513 2.456 -1.034) 5.241 13.905 ( 7.258 4.435 4.954) 9.843 14.084 ( -2.970 2.884 -0.542) 4.175 14.328 ( -5.199 5.749 4.351) 8.888 14.380 ( -0.194 3.728 4.063) 5.517 14.735 ( -0.422 8.117 4.760) 9.419 14.875 ( -7.402 7.018 6.817) 12.269 15.198 ( 7.931 -0.880 1.860) 8.193 15.298 ( 7.114 2.893 5.691) 9.559 15.530 ( 0.268 -5.238 6.081) 8.031 15.629 ( 2.411 0.546 3.674) 4.428 15.710 ( 0.754 -7.477 13.236) 15.221 15.900 ( 0.632 3.731 2.400) 4.481 16.097 ( -4.133 -3.383 4.103) 6.736 16.195 ( -0.370 -5.938 -0.138) 5.951 16.330 ( -4.953 1.092 0.499) 5.097 16.427 ( -5.902 0.894 -1.809) 6.238 16.686 ( 7.158 3.012 2.545) 8.172 16.925 ( 11.986 -5.405 1.546) 13.238 17.152 ( -4.991 7.595 2.453) 9.413 17.568 ( -5.388 -2.436 -9.362) 11.073 24.082 ( 4.077 0.948 2.866) 5.073 24.184 ( 4.320 -1.122 0.616) 4.506 24.386 ( -3.381 0.521 2.989) 4.542 24.454 ( -2.477 -0.508 2.241) 3.379 25.810 ( 0.984 -1.412 6.621) 6.842 25.906 ( -1.347 -2.132 7.302) 7.725 25.958 ( 1.530 -4.138 7.201) 8.445 26.113 ( -2.482 -6.747 5.748) 9.204 26.430 ( 3.346 2.858 1.654) 4.701 26.488 ( 4.251 1.282 1.021) 4.556 26.825 ( -7.231 2.357 2.832) 8.116 26.878 ( -5.348 -0.005 2.777) 6.026 27.232 ( 7.749 13.910 -3.366) 16.274 27.525 ( 0.943 13.193 -10.045) 16.609 28.088 ( 0.642 -0.092 -3.768) 3.823 28.386 ( -5.320 -1.395 -8.568) 10.181 ======================= Grid point 147 (54/90) ======================= q-point: ( 0.40 0.25 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 7.784 1.594 7.404) 10.861 1.915 ( -7.363 1.442 7.817) 10.835 2.156 ( 5.850 -3.709 2.908) 7.513 2.221 ( 3.685 4.392 9.821) 11.372 2.267 ( -5.386 -4.101 -0.428) 6.783 2.314 ( -5.814 3.751 7.553) 10.243 2.575 ( 4.483 -1.773 -2.376) 5.375 2.639 ( -2.042 -0.875 -3.133) 3.841 3.134 ( 1.297 23.563 -1.176) 23.628 3.176 ( -2.850 24.219 -0.271) 24.387 3.312 ( 0.966 21.069 -1.417) 21.139 3.328 ( -0.539 21.226 -2.952) 21.437 4.524 ( 12.119 1.993 10.735) 16.312 4.676 ( -3.143 1.232 7.341) 8.080 5.022 ( 5.654 -5.431 3.202) 8.469 5.114 ( -4.375 3.678 2.915) 6.416 5.265 ( 6.175 6.376 -1.343) 8.977 5.411 ( -8.093 8.642 -2.182) 12.039 5.523 ( -3.342 8.613 7.175) 11.697 5.560 ( -6.076 10.764 2.332) 12.579 6.096 ( 7.536 6.923 -4.346) 11.118 6.247 ( -5.704 7.636 4.739) 10.644 6.534 ( 3.863 11.626 -5.330) 13.361 6.621 ( -2.680 5.547 -1.329) 6.303 6.760 ( 7.896 -0.106 -11.043) 13.576 6.938 ( -7.985 -2.994 -9.654) 12.881 7.253 ( 10.268 -3.986 6.503) 12.791 7.483 ( -12.396 -4.908 3.073) 13.682 8.600 ( 3.027 0.451 -9.472) 9.954 8.654 ( -2.452 0.531 -10.514) 10.809 8.985 ( 1.973 -2.788 -8.670) 9.318 9.037 ( -3.394 -3.959 -9.535) 10.867 9.548 ( 0.775 13.894 1.786) 14.030 9.585 ( -2.799 7.640 2.156) 8.417 10.021 ( 11.429 1.544 -7.550) 13.785 10.250 ( -12.382 -2.010 -9.904) 15.982 11.147 ( 2.484 -7.548 2.596) 8.360 11.163 ( 0.127 -10.458 1.395) 10.551 11.241 ( 4.140 -9.691 -2.205) 10.766 11.321 ( -2.697 -10.715 -1.836) 11.201 11.478 ( 5.295 -11.351 -3.053) 12.891 11.586 ( -5.300 -9.125 -2.854) 10.932 11.785 ( 7.813 -0.495 -5.164) 9.378 11.823 ( 9.432 -4.809 -9.246) 14.056 11.961 ( -8.545 1.952 -7.302) 11.408 12.019 ( -9.663 -2.451 -8.276) 12.957 12.347 ( 2.630 -10.158 3.937) 11.208 12.395 ( -2.562 -11.092 4.027) 12.075 12.634 ( 0.873 -0.295 3.227) 3.356 12.652 ( -0.965 1.483 2.038) 2.699 12.682 ( 1.071 2.581 4.374) 5.190 12.718 ( -2.311 2.305 3.940) 5.117 12.944 ( 5.717 -2.944 1.765) 6.668 13.041 ( -2.804 -3.085 -1.723) 4.511 13.209 ( 2.192 -2.666 -1.824) 3.904 13.268 ( -3.013 -4.496 -3.405) 6.394 13.333 ( 4.544 3.050 2.569) 6.046 13.405 ( 1.043 -1.459 -1.386) 2.266 13.481 ( -3.190 0.538 3.361) 4.665 13.496 ( -2.786 -0.452 -3.830) 4.758 14.006 ( 2.379 5.456 2.850) 6.599 14.036 ( -1.896 2.671 1.324) 3.533 14.282 ( 1.902 0.359 6.251) 6.544 14.351 ( -3.368 1.031 4.284) 5.546 14.728 ( 0.322 10.352 5.418) 11.688 14.766 ( -3.921 10.706 7.279) 13.527 15.340 ( 6.413 0.098 -3.292) 7.209 15.398 ( 1.443 2.722 -1.585) 3.465 15.555 ( 3.211 -7.691 11.370) 14.098 15.631 ( -3.298 -8.623 9.592) 13.314 15.759 ( 5.480 -4.083 9.547) 11.741 15.871 ( -4.828 -0.707 5.135) 7.084 16.064 ( 1.863 2.631 4.415) 5.467 16.144 ( -5.230 1.878 2.823) 6.233 16.282 ( 1.242 -3.613 -1.983) 4.304 16.339 ( -3.956 -2.146 -2.057) 4.949 16.836 ( 8.828 5.441 2.417) 10.648 17.001 ( -7.961 6.364 2.861) 10.587 17.194 ( 12.943 -3.228 -4.060) 13.944 17.420 ( -10.383 -2.971 -7.313) 13.043 24.182 ( 6.210 0.855 3.018) 6.958 24.283 ( 5.145 -0.968 0.909) 5.314 24.299 ( -5.086 0.530 3.111) 5.985 24.386 ( -4.731 -0.849 1.594) 5.064 25.836 ( 1.766 -1.387 7.492) 7.822 25.872 ( -2.028 -1.440 8.228) 8.596 26.000 ( 2.793 -5.416 5.891) 8.476 26.057 ( -3.229 -6.069 5.867) 9.038 26.517 ( 5.619 4.071 0.701) 6.974 26.575 ( 2.964 3.747 -1.189) 4.923 26.700 ( -3.950 -1.000 2.888) 4.995 26.759 ( -6.648 -1.652 1.149) 6.946 27.383 ( 7.811 15.950 -2.285) 17.906 27.501 ( -4.091 16.698 -4.670) 17.814 28.138 ( 5.009 -2.803 -5.967) 8.279 28.261 ( -7.397 -2.429 -7.557) 10.850 ======================= Grid point 150 (55/90) ======================= q-point: ( 0.00 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( 0.000 4.836 1.507) 5.065 1.903 ( 0.000 -5.790 3.068) 6.552 2.242 ( 0.000 4.442 5.634) 7.175 2.262 ( 0.000 6.158 9.621) 11.423 2.330 ( 0.000 -2.287 2.656) 3.505 2.410 ( 0.000 0.571 -1.097) 1.236 2.539 ( 0.000 -0.290 1.944) 1.965 2.547 ( 0.000 -3.284 -4.531) 5.596 3.524 ( 0.000 15.036 -1.060) 15.073 3.594 ( 0.000 10.479 1.602) 10.601 3.703 ( 0.000 16.806 -1.097) 16.842 3.718 ( 0.000 16.161 -2.361) 16.332 4.321 ( 0.000 7.529 6.626) 10.030 4.605 ( 0.000 -7.060 3.063) 7.696 4.855 ( 0.000 4.511 6.749) 8.118 5.171 ( 0.000 -9.262 7.746) 12.074 5.424 ( 0.000 14.937 -6.598) 16.329 5.595 ( 0.000 8.320 -0.426) 8.331 5.905 ( 0.000 -4.948 2.053) 5.357 5.999 ( 0.000 -5.285 -7.285) 9.000 6.046 ( 0.000 9.230 -8.182) 12.334 6.077 ( 0.000 6.235 2.196) 6.610 6.560 ( 0.000 11.119 5.307) 12.321 6.646 ( 0.000 11.420 5.629) 12.732 6.889 ( 0.000 0.850 -2.834) 2.959 7.011 ( 0.000 -0.013 -0.657) 0.657 7.268 ( 0.000 1.709 -5.449) 5.711 7.598 ( 0.000 -9.899 -0.347) 9.906 8.540 ( 0.000 2.008 -10.338) 10.531 8.670 ( 0.000 -2.629 -13.093) 13.354 8.953 ( 0.000 0.802 -7.317) 7.361 9.039 ( 0.000 -3.800 -7.024) 7.987 9.751 ( 0.000 4.450 3.278) 5.527 9.806 ( 0.000 6.895 4.212) 8.080 9.900 ( 0.000 11.579 5.133) 12.665 10.343 ( 0.000 -15.099 -6.426) 16.409 10.951 ( 0.000 -2.812 -4.444) 5.259 11.031 ( 0.000 -6.389 -2.036) 6.706 11.076 ( 0.000 -0.766 -1.798) 1.954 11.099 ( 0.000 -8.826 -6.704) 11.083 11.214 ( 0.000 -0.737 -0.853) 1.128 11.460 ( 0.000 -5.960 -9.639) 11.333 11.593 ( 0.000 0.241 -4.851) 4.857 11.670 ( 0.000 -5.074 2.407) 5.616 12.034 ( 0.000 -11.752 -1.331) 11.827 12.158 ( 0.000 -18.351 0.764) 18.367 12.225 ( 0.000 1.346 -8.164) 8.274 12.228 ( 0.000 1.072 -8.765) 8.830 12.607 ( 0.000 -0.419 4.423) 4.443 12.616 ( 0.000 -1.386 4.067) 4.297 12.767 ( 0.000 1.356 0.703) 1.527 12.814 ( 0.000 2.243 0.421) 2.282 12.866 ( 0.000 3.644 2.159) 4.236 12.918 ( 0.000 1.926 -4.550) 4.941 13.042 ( 0.000 -5.149 2.734) 5.830 13.163 ( 0.000 -9.032 -1.515) 9.159 13.361 ( 0.000 1.521 4.796) 5.031 13.396 ( 0.000 -2.097 -0.680) 2.205 13.488 ( 0.000 5.957 -5.500) 8.108 13.657 ( 0.000 -0.523 -1.385) 1.480 13.931 ( 0.000 5.774 6.866) 8.971 14.129 ( 0.000 -2.434 2.471) 3.468 14.484 ( 0.000 5.667 4.400) 7.175 14.538 ( 0.000 5.118 1.272) 5.274 14.860 ( 0.000 5.244 4.711) 7.050 14.987 ( 0.000 -1.738 4.083) 4.437 15.155 ( 0.000 5.611 11.751) 13.022 15.258 ( 0.000 2.065 4.961) 5.374 15.411 ( 0.000 -6.101 4.745) 7.729 15.522 ( 0.000 -11.372 11.784) 16.376 15.684 ( 0.000 5.259 1.538) 5.479 15.959 ( 0.000 -3.149 0.644) 3.214 15.997 ( 0.000 -1.189 0.630) 1.345 16.135 ( 0.000 -2.002 -0.144) 2.007 16.480 ( 0.000 4.731 -0.758) 4.791 16.559 ( 0.000 0.464 -4.918) 4.939 16.606 ( 0.000 1.472 5.405) 5.602 16.676 ( 0.000 -3.801 6.361) 7.410 17.348 ( 0.000 7.059 1.179) 7.156 17.561 ( 0.000 -3.804 -5.606) 6.774 24.065 ( 0.000 1.327 2.238) 2.602 24.118 ( 0.000 -1.281 1.061) 1.663 24.432 ( 0.000 0.905 2.564) 2.719 24.467 ( 0.000 -0.680 2.339) 2.436 25.787 ( 0.000 0.167 6.008) 6.010 25.851 ( 0.000 -2.945 4.727) 5.569 25.924 ( 0.000 -0.006 9.187) 9.187 26.018 ( 0.000 -5.065 6.220) 8.021 26.432 ( 0.000 1.027 2.804) 2.986 26.451 ( 0.000 -0.269 2.911) 2.923 26.926 ( 0.000 -0.430 6.677) 6.691 26.936 ( 0.000 -0.241 6.058) 6.062 27.403 ( 0.000 12.448 -9.936) 15.927 27.638 ( 0.000 2.175 -14.265) 14.430 28.170 ( 0.000 6.563 -3.725) 7.546 28.402 ( 0.000 -3.180 -8.496) 9.072 ======================= Grid point 151 (56/90) ======================= q-point: ( 0.20 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.324 4.302 2.603) 6.028 1.929 ( 2.857 -5.985 3.049) 7.299 2.145 ( -7.724 4.186 4.812) 10.017 2.287 ( -1.921 -0.296 4.965) 5.331 2.292 ( -0.889 3.067 7.078) 7.765 2.432 ( -0.521 -1.931 -0.494) 2.060 2.476 ( -0.222 1.666 0.585) 1.779 2.599 ( 1.072 -3.437 -1.628) 3.951 3.519 ( -0.237 15.339 -0.966) 15.371 3.606 ( 1.162 11.052 0.306) 11.117 3.659 ( -3.467 16.449 -1.251) 16.857 3.714 ( -1.062 14.680 -2.716) 14.967 4.411 ( 8.713 6.943 7.545) 13.456 4.669 ( 5.858 -5.060 3.581) 8.530 4.841 ( -1.217 1.851 6.656) 7.015 5.120 ( -5.368 -10.153 7.164) 13.536 5.441 ( 2.584 16.190 -6.003) 17.459 5.615 ( 1.878 9.580 -1.632) 9.898 5.813 ( -5.110 0.748 -0.490) 5.188 5.905 ( -8.420 6.398 0.298) 10.579 6.104 ( 4.214 6.916 -8.422) 11.684 6.242 ( 12.812 -4.649 -2.256) 13.815 6.526 ( -3.117 8.297 2.770) 9.286 6.667 ( 0.626 5.010 2.454) 5.614 6.948 ( 4.151 3.973 -5.114) 7.692 6.957 ( -2.748 2.686 1.961) 4.314 7.217 ( -4.768 2.409 -1.018) 5.438 7.536 ( -6.425 -9.031 0.541) 11.097 8.574 ( 3.448 2.774 -9.851) 10.800 8.686 ( 1.391 -0.606 -11.978) 12.073 8.941 ( -1.202 -0.584 -7.598) 7.715 9.008 ( -3.057 -4.308 -7.343) 9.046 9.722 ( -1.159 6.827 2.339) 7.309 9.850 ( -2.181 11.410 4.040) 12.299 9.887 ( 4.219 1.717 3.405) 5.686 10.290 ( -5.352 -12.793 -5.474) 14.909 10.973 ( 1.951 -3.698 -3.014) 5.154 11.039 ( 1.619 -4.571 -2.218) 5.332 11.086 ( 0.301 -0.460 -1.100) 1.230 11.130 ( 2.855 -8.191 -6.110) 10.611 11.241 ( 2.113 -2.356 -1.622) 3.557 11.513 ( 4.384 -6.590 -8.482) 11.601 11.565 ( -3.169 -4.179 -3.382) 6.241 11.677 ( 2.529 -2.213 -2.010) 3.915 11.999 ( -3.858 -12.075 -1.743) 12.796 12.096 ( -4.524 -10.517 -0.804) 11.477 12.190 ( -2.880 -0.842 -6.753) 7.390 12.228 ( -1.141 -3.447 -5.937) 6.959 12.617 ( 1.132 0.190 3.946) 4.110 12.649 ( 2.750 -0.903 3.686) 4.686 12.774 ( -2.098 5.592 1.870) 6.258 12.791 ( 0.218 2.143 1.447) 2.595 12.844 ( 0.442 -0.163 1.268) 1.353 12.993 ( 4.424 2.055 -4.059) 6.346 13.076 ( 3.570 -7.341 1.140) 8.242 13.167 ( -0.142 -6.533 -1.973) 6.826 13.354 ( -0.209 0.302 3.459) 3.479 13.371 ( -1.075 -0.226 1.330) 1.725 13.498 ( 0.248 4.507 -5.394) 7.034 13.624 ( -4.125 0.092 -1.791) 4.498 13.982 ( 5.360 3.876 5.739) 8.757 14.111 ( -1.059 -0.860 3.198) 3.477 14.421 ( -8.235 4.001 4.172) 10.061 14.460 ( -4.728 3.312 3.278) 6.639 14.879 ( 1.853 6.738 5.049) 8.621 15.004 ( -0.326 5.220 7.389) 9.053 15.168 ( 3.372 -0.838 6.597) 7.456 15.347 ( 7.715 1.984 4.730) 9.264 15.416 ( 0.112 -6.049 3.409) 6.944 15.507 ( -1.289 -9.982 10.087) 14.250 15.681 ( -0.329 3.566 3.008) 4.677 15.941 ( -5.437 -6.304 0.564) 8.343 16.009 ( 4.551 1.880 1.823) 5.251 16.134 ( 0.437 -1.448 0.055) 1.513 16.387 ( -6.521 3.125 2.882) 7.784 16.436 ( -7.294 0.073 0.458) 7.309 16.747 ( 9.726 3.108 1.011) 10.260 16.846 ( 13.346 -2.846 1.345) 13.712 17.294 ( -5.606 6.910 1.045) 8.959 17.507 ( -5.724 -3.936 -5.171) 8.660 24.105 ( 4.051 1.339 2.324) 4.858 24.160 ( 4.206 -1.360 1.124) 4.561 24.401 ( -3.239 0.993 2.602) 4.271 24.441 ( -2.776 -0.837 2.168) 3.620 25.797 ( 1.023 0.191 6.327) 6.412 25.861 ( 0.934 -2.642 5.123) 5.839 25.911 ( -1.208 -0.483 8.917) 9.011 25.999 ( -1.879 -4.841 6.435) 8.269 26.467 ( 3.703 1.096 2.432) 4.564 26.490 ( 4.034 -0.488 2.211) 4.626 26.851 ( -6.847 0.442 4.194) 8.042 26.872 ( -6.164 -0.607 4.160) 7.461 27.494 ( 8.499 12.323 -7.231) 16.625 27.709 ( 6.421 4.240 -11.943) 14.207 28.127 ( -4.158 4.692 -3.856) 7.360 28.344 ( -5.986 -3.382 -8.295) 10.774 ======================= Grid point 152 (57/90) ======================= q-point: ( 0.40 0.38 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 6.955 3.550 4.654) 9.090 1.961 ( -6.146 2.652 6.090) 9.050 2.037 ( 3.404 -5.857 1.172) 6.875 2.165 ( -7.840 -5.666 1.129) 9.739 2.334 ( 3.008 5.780 8.445) 10.666 2.392 ( -2.838 4.240 4.385) 6.727 2.521 ( 3.457 -3.382 -0.377) 4.851 2.582 ( -2.569 -4.216 -1.040) 5.045 3.531 ( 1.782 16.011 -1.174) 16.152 3.583 ( -3.506 16.439 -1.442) 16.870 3.643 ( 1.964 11.420 -1.666) 11.707 3.683 ( -2.072 12.665 -2.845) 13.145 4.596 ( 9.626 5.054 8.491) 13.795 4.725 ( -2.991 3.603 6.935) 8.368 4.867 ( 5.904 -7.957 4.859) 11.035 4.997 ( -7.144 -8.893 5.128) 12.507 5.526 ( 6.388 14.515 -4.055) 16.369 5.639 ( -1.712 12.343 -5.045) 13.443 5.734 ( -4.062 9.606 2.665) 10.765 5.749 ( -4.401 6.907 -0.887) 8.238 6.219 ( 8.285 5.866 -4.879) 11.264 6.381 ( -5.715 5.103 1.744) 7.858 6.504 ( 7.124 -7.942 -10.258) 14.800 6.629 ( -4.648 -5.096 -8.185) 10.704 6.927 ( 2.428 12.713 2.224) 13.133 7.008 ( -3.401 8.414 2.591) 9.438 7.195 ( 6.626 -2.029 4.627) 8.332 7.375 ( -10.189 -6.398 2.424) 12.273 8.652 ( 4.227 4.593 -8.839) 10.821 8.701 ( -0.515 3.837 -9.481) 10.241 8.920 ( -0.494 -4.033 -8.488) 9.411 8.943 ( -3.082 -5.547 -8.294) 10.443 9.727 ( 1.680 7.868 1.441) 8.173 9.779 ( -3.746 9.621 2.105) 10.537 10.010 ( 7.734 -3.438 0.685) 8.492 10.161 ( -7.965 -8.161 -2.827) 11.749 11.016 ( 2.690 -2.987 -0.293) 4.031 11.067 ( -2.244 -1.303 -0.091) 2.596 11.099 ( 4.031 -3.617 -2.944) 6.165 11.159 ( -1.268 -6.178 -3.825) 7.376 11.301 ( 5.443 -4.435 -4.078) 8.120 11.432 ( -7.674 -4.651 -3.398) 9.595 11.652 ( 7.254 -11.574 -6.113) 14.965 11.740 ( 0.499 -9.455 -4.958) 10.688 11.931 ( -0.168 -1.877 -4.781) 5.139 12.009 ( -5.420 1.087 -6.575) 8.590 12.154 ( -0.043 -8.334 -1.122) 8.410 12.186 ( -2.734 -7.665 -2.270) 8.448 12.649 ( 2.261 1.793 3.385) 4.448 12.689 ( -0.331 2.040 2.992) 3.637 12.731 ( 0.257 1.705 3.822) 4.193 12.773 ( -2.479 2.067 3.507) 4.766 12.910 ( 5.655 0.757 0.570) 5.734 13.009 ( -3.530 0.699 -1.883) 4.061 13.145 ( 2.796 -6.373 -1.955) 7.229 13.166 ( 0.305 -4.360 -3.017) 5.310 13.384 ( 3.764 -0.101 -2.140) 4.331 13.392 ( 3.088 1.202 3.915) 5.129 13.475 ( -2.713 0.960 -2.595) 3.875 13.512 ( -6.775 0.427 -1.124) 6.881 14.085 ( 4.048 3.526 3.770) 6.560 14.126 ( 1.776 4.715 2.925) 5.826 14.280 ( -3.141 -0.241 5.665) 6.482 14.353 ( -6.771 -1.107 3.628) 7.761 14.921 ( 2.469 9.441 6.963) 11.988 14.969 ( -2.587 10.214 8.600) 13.601 15.269 ( 6.299 -7.178 3.302) 10.105 15.376 ( -4.524 -9.390 3.990) 11.161 15.486 ( 4.947 3.340 3.527) 6.933 15.506 ( 1.152 -0.908 5.479) 5.672 15.689 ( 2.726 -3.360 4.258) 6.070 15.806 ( -8.109 -6.021 1.633) 10.231 16.115 ( 5.975 2.668 3.864) 7.599 16.164 ( 2.101 1.013 1.679) 2.874 16.274 ( -4.498 1.147 2.733) 5.387 16.308 ( -6.128 -1.125 0.535) 6.253 16.943 ( 10.864 5.457 0.840) 12.186 17.092 ( 7.132 0.370 -0.306) 7.148 17.165 ( -2.832 2.647 -0.603) 3.923 17.352 ( -10.671 -4.096 -3.966) 12.099 24.204 ( 6.099 1.312 2.495) 6.719 24.259 ( 5.952 -1.381 1.360) 6.260 24.317 ( -5.580 1.165 2.620) 6.274 24.366 ( -5.096 -1.167 1.780) 5.523 25.824 ( 1.841 0.284 7.093) 7.333 25.860 ( -1.637 0.190 7.425) 7.606 25.910 ( 1.758 -3.769 6.653) 7.846 25.955 ( -2.642 -4.423 6.538) 8.324 26.565 ( 6.610 1.241 1.823) 6.969 26.593 ( 6.704 -0.608 1.179) 6.833 26.707 ( -7.890 0.792 2.359) 8.274 26.735 ( -7.813 -0.952 1.920) 8.101 27.674 ( 9.705 13.472 -4.914) 17.315 27.795 ( -0.631 12.652 -6.976) 14.461 28.075 ( 1.757 -3.483 -6.164) 7.295 28.198 ( -8.761 -4.387 -7.984) 12.638 ======================= Grid point 155 (58/90) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 0.000 -5.564 0.788) 5.619 1.790 ( 0.000 5.564 0.788) 5.619 2.293 ( 0.000 -1.297 2.977) 3.247 2.293 ( 0.000 1.297 2.977) 3.247 2.381 ( 0.000 -4.491 4.441) 6.316 2.381 ( 0.000 4.491 4.441) 6.316 2.520 ( 0.000 -1.027 -1.476) 1.798 2.520 ( 0.000 1.027 -1.476) 1.798 3.685 ( 0.000 -1.444 1.501) 2.083 3.685 ( 0.000 1.444 1.501) 2.083 3.875 ( 0.000 -0.443 -2.340) 2.381 3.875 ( 0.000 0.443 -2.340) 2.381 4.461 ( 0.000 -7.109 4.614) 8.476 4.461 ( 0.000 7.109 4.614) 8.476 4.988 ( 0.000 -8.559 7.642) 11.475 4.988 ( 0.000 8.559 7.642) 11.475 5.686 ( 0.000 -5.494 -7.151) 9.018 5.686 ( 0.000 5.494 -7.151) 9.018 5.822 ( 0.000 -2.513 0.602) 2.584 5.822 ( 0.000 2.513 0.602) 2.584 6.168 ( 0.000 -0.988 -9.228) 9.280 6.168 ( 0.000 0.988 -9.228) 9.280 6.724 ( 0.000 -3.952 7.810) 8.754 6.724 ( 0.000 3.952 7.810) 8.754 6.956 ( 0.000 -4.650 3.693) 5.938 6.956 ( 0.000 4.650 3.693) 5.938 7.383 ( 0.000 -10.450 -4.284) 11.294 7.383 ( 0.000 10.450 -4.284) 11.294 8.600 ( 0.000 -3.919 -11.797) 12.431 8.600 ( 0.000 3.919 -11.797) 12.431 8.982 ( 0.000 -2.151 -6.591) 6.933 8.982 ( 0.000 2.151 -6.591) 6.933 9.867 ( 0.000 -3.277 5.134) 6.091 9.867 ( 0.000 3.277 5.134) 6.091 10.069 ( 0.000 -9.720 0.154) 9.721 10.069 ( 0.000 9.720 0.154) 9.721 10.947 ( 0.000 -2.731 -5.007) 5.704 10.947 ( 0.000 2.731 -5.007) 5.704 11.032 ( 0.000 -1.778 -3.499) 3.925 11.032 ( 0.000 1.778 -3.499) 3.925 11.330 ( 0.000 -8.418 -5.950) 10.308 11.330 ( 0.000 8.418 -5.950) 10.308 11.600 ( 0.000 -0.987 2.011) 2.241 11.600 ( 0.000 0.987 2.011) 2.241 11.926 ( 0.000 -2.852 -3.908) 4.838 11.926 ( 0.000 2.852 -3.908) 4.838 12.238 ( 0.000 -0.002 -7.839) 7.839 12.238 ( 0.000 0.002 -7.839) 7.839 12.600 ( 0.000 -0.118 3.429) 3.431 12.600 ( 0.000 0.118 3.429) 3.431 12.811 ( 0.000 -2.125 0.941) 2.324 12.811 ( 0.000 2.125 0.941) 2.324 12.943 ( 0.000 -3.800 0.166) 3.804 12.943 ( 0.000 3.800 0.166) 3.804 13.012 ( 0.000 -5.912 -1.866) 6.200 13.012 ( 0.000 5.912 -1.866) 6.200 13.373 ( 0.000 -0.409 1.149) 1.220 13.373 ( 0.000 0.409 1.149) 1.220 13.605 ( 0.000 -4.878 -2.358) 5.418 13.605 ( 0.000 4.878 -2.358) 5.418 14.044 ( 0.000 -5.661 5.245) 7.717 14.044 ( 0.000 5.661 5.245) 7.717 14.567 ( 0.000 -2.032 3.574) 4.111 14.567 ( 0.000 2.032 3.574) 4.111 14.937 ( 0.000 -3.114 4.286) 5.298 14.937 ( 0.000 3.114 4.286) 5.298 15.306 ( 0.000 -6.833 15.822) 17.235 15.306 ( 0.000 6.833 15.822) 17.235 15.316 ( 0.000 -0.684 -0.006) 0.684 15.316 ( 0.000 0.684 -0.006) 0.684 15.807 ( 0.000 -7.524 0.321) 7.531 15.807 ( 0.000 7.524 0.321) 7.531 16.077 ( 0.000 -4.161 -0.028) 4.161 16.077 ( 0.000 4.161 -0.028) 4.161 16.547 ( 0.000 -1.967 -1.971) 2.785 16.547 ( 0.000 1.967 -1.971) 2.785 16.631 ( 0.000 -1.390 5.402) 5.578 16.631 ( 0.000 1.390 5.402) 5.578 17.471 ( 0.000 -5.548 -1.694) 5.801 17.471 ( 0.000 5.548 -1.694) 5.801 24.092 ( 0.000 -1.399 1.636) 2.153 24.092 ( 0.000 1.399 1.636) 2.153 24.451 ( 0.000 -0.959 2.354) 2.542 24.451 ( 0.000 0.959 2.354) 2.542 25.806 ( 0.000 -1.707 5.499) 5.758 25.806 ( 0.000 1.707 5.499) 5.758 25.946 ( 0.000 -2.339 7.542) 7.896 25.946 ( 0.000 2.339 7.542) 7.896 26.444 ( 0.000 -0.410 3.057) 3.085 26.444 ( 0.000 0.410 3.057) 3.085 26.925 ( 0.000 -0.419 6.938) 6.951 26.925 ( 0.000 0.419 6.938) 6.951 27.591 ( 0.000 -6.569 -12.683) 14.284 27.591 ( 0.000 6.569 -12.683) 14.284 28.307 ( 0.000 -6.574 -6.219) 9.050 28.307 ( 0.000 6.574 -6.219) 9.050 ======================= Grid point 157 (59/90) ======================= q-point: ( 0.20 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( 2.833 -5.501 1.500) 6.367 1.814 ( 2.833 5.501 1.500) 6.367 2.226 ( -7.333 -3.731 2.857) 8.709 2.226 ( -7.333 3.731 2.857) 8.709 2.379 ( 1.364 -3.463 4.131) 5.561 2.379 ( 1.364 3.463 4.131) 5.561 2.528 ( -0.186 -3.511 -0.190) 3.521 2.528 ( -0.186 3.511 -0.190) 3.521 3.691 ( 0.862 -2.273 0.591) 2.501 3.691 ( 0.862 2.273 0.591) 2.501 3.841 ( -3.119 -1.710 -2.501) 4.349 3.841 ( -3.119 1.710 -2.501) 4.349 4.543 ( 7.792 -6.719 5.366) 11.604 4.543 ( 7.792 6.719 5.366) 11.604 4.945 ( -4.179 -7.648 7.174) 11.288 4.945 ( -4.179 7.648 7.174) 11.288 5.686 ( 0.889 -7.397 -5.065) 9.009 5.686 ( 0.889 7.397 -5.065) 9.009 5.853 ( 1.260 -8.440 -2.466) 8.883 5.853 ( 1.260 8.440 -2.466) 8.883 6.205 ( 4.434 -1.834 -7.707) 9.079 6.205 ( 4.434 1.834 -7.707) 9.079 6.653 ( -6.692 -4.750 3.458) 8.905 6.653 ( -6.692 4.750 3.458) 8.905 7.004 ( 4.393 -2.201 4.593) 6.726 7.004 ( 4.393 2.201 4.593) 6.726 7.336 ( -4.690 -10.214 -1.968) 11.410 7.336 ( -4.690 10.214 -1.968) 11.410 8.643 ( 4.251 -3.640 -10.966) 12.312 8.643 ( 4.251 3.640 -10.966) 12.312 8.949 ( -3.461 -1.676 -6.723) 7.745 8.949 ( -3.461 1.676 -6.723) 7.745 9.866 ( 0.237 -4.930 4.553) 6.715 9.866 ( 0.237 4.930 4.553) 6.715 10.036 ( -3.273 -10.657 0.242) 11.150 10.036 ( -3.273 10.657 0.242) 11.150 10.969 ( 2.406 -2.744 -4.307) 5.645 10.969 ( 2.406 2.744 -4.307) 5.645 11.059 ( 2.223 -1.238 -3.758) 4.539 11.059 ( 2.223 1.238 -3.758) 4.539 11.353 ( 1.983 -9.867 -4.295) 10.943 11.353 ( 1.983 9.867 -4.295) 10.943 11.574 ( -2.841 -6.293 -0.189) 6.907 11.574 ( -2.841 6.293 -0.189) 6.907 11.911 ( -0.153 -4.570 -3.514) 5.767 11.911 ( -0.153 4.570 -3.514) 5.767 12.203 ( -3.780 -0.851 -7.724) 8.641 12.203 ( -3.780 0.851 -7.724) 8.641 12.630 ( 2.728 -0.969 3.677) 4.680 12.630 ( 2.728 0.969 3.677) 4.680 12.828 ( -0.815 -1.585 0.723) 1.923 12.828 ( -0.815 1.585 0.723) 1.923 12.911 ( 1.134 -8.145 1.203) 8.311 12.911 ( 1.134 8.145 1.203) 8.311 13.067 ( 3.065 -4.419 -2.867) 6.094 13.067 ( 3.065 4.419 -2.867) 6.094 13.358 ( -0.701 -0.701 1.806) 2.060 13.358 ( -0.701 0.701 1.806) 2.060 13.590 ( -2.296 -3.671 -3.099) 5.325 13.590 ( -2.296 3.671 -3.099) 5.325 14.059 ( 2.279 -3.853 5.551) 7.131 14.059 ( 2.279 3.853 5.551) 7.131 14.478 ( -8.070 -1.421 3.366) 8.858 14.478 ( -8.070 1.421 3.366) 8.858 14.995 ( 4.928 -4.878 5.221) 8.679 14.995 ( 4.928 4.878 5.221) 8.679 15.256 ( -3.348 -8.741 10.516) 14.078 15.256 ( -3.348 8.741 10.516) 14.078 15.393 ( 6.040 -2.681 3.196) 7.341 15.393 ( 6.040 2.681 3.196) 7.341 15.785 ( -3.038 -7.213 0.234) 7.830 15.785 ( -3.038 7.213 0.234) 7.830 16.086 ( 1.836 -3.728 0.698) 4.214 16.086 ( 1.836 3.728 0.698) 4.214 16.428 ( -7.313 -1.106 2.683) 7.868 16.428 ( -7.313 1.106 2.683) 7.868 16.800 ( 12.110 -2.336 0.881) 12.364 16.800 ( 12.110 2.336 0.881) 12.364 17.415 ( -5.827 -5.556 -1.556) 8.200 17.415 ( -5.827 5.556 -1.556) 8.200 24.132 ( 4.101 -1.455 1.715) 4.678 24.132 ( 4.101 1.455 1.715) 4.678 24.422 ( -3.043 -1.085 2.298) 3.964 24.422 ( -3.043 1.085 2.298) 3.964 25.817 ( 1.117 -1.769 5.823) 6.187 25.817 ( 1.117 1.769 5.823) 6.187 25.930 ( -1.658 -2.287 7.575) 8.084 25.930 ( -1.658 2.287 7.575) 8.084 26.480 ( 3.795 -0.494 2.558) 4.604 26.480 ( 3.795 0.494 2.558) 4.604 26.858 ( -6.338 -0.591 4.786) 7.964 26.858 ( -6.338 0.591 4.786) 7.964 27.680 ( 8.624 -6.330 -10.368) 14.897 27.680 ( 8.624 6.330 -10.368) 14.897 28.247 ( -6.217 -6.430 -6.169) 10.865 28.247 ( -6.217 6.430 -6.169) 10.865 ======================= Grid point 159 (60/90) ======================= q-point: ( 0.40 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 125 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.904 ( 6.800 -5.304 2.780) 9.061 1.904 ( 6.800 5.304 2.780) 9.061 2.060 ( -9.418 -4.952 3.225) 11.119 2.060 ( -9.418 4.952 3.225) 11.119 2.430 ( 3.586 -3.474 3.165) 5.911 2.430 ( 3.586 3.474 3.165) 5.911 2.496 ( -3.054 -3.821 1.626) 5.155 2.496 ( -3.054 3.821 1.626) 5.155 3.721 ( 2.376 -3.178 -1.163) 4.135 3.721 ( 2.376 3.178 -1.163) 4.135 3.777 ( -3.442 -2.899 -2.296) 5.052 3.777 ( -3.442 2.899 -2.296) 5.052 4.706 ( 8.652 -6.020 6.343) 12.302 4.706 ( 8.652 6.020 6.343) 12.302 4.846 ( -6.321 -6.224 6.624) 11.071 4.846 ( -6.321 6.224 6.624) 11.071 5.735 ( 4.272 -5.767 -3.597) 8.028 5.735 ( 4.272 5.767 -3.597) 8.028 5.823 ( -4.106 -2.477 -3.500) 5.937 5.823 ( -4.106 2.477 -3.500) 5.937 6.334 ( 8.657 -6.404 -6.655) 12.659 6.334 ( 8.657 6.404 -6.655) 12.659 6.502 ( -8.944 -6.250 -3.645) 11.504 6.502 ( -8.944 6.250 -3.645) 11.504 7.104 ( 6.147 -4.389 4.749) 8.922 7.104 ( 6.147 4.389 4.749) 8.922 7.226 ( -6.604 -8.454 2.428) 10.999 7.226 ( -6.604 8.454 2.428) 10.999 8.744 ( 6.214 -2.483 -9.085) 11.284 8.744 ( 6.214 2.483 -9.085) 11.284 8.860 ( -5.819 -1.096 -7.437) 9.506 8.860 ( -5.819 1.096 -7.437) 9.506 9.891 ( 2.679 -8.178 2.905) 9.083 9.891 ( 2.679 8.178 2.905) 9.083 9.961 ( -4.372 -10.573 1.128) 11.497 9.961 ( -4.372 10.573 1.128) 11.497 11.031 ( 3.699 -2.432 -3.403) 5.584 11.031 ( 3.699 2.432 -3.403) 5.584 11.080 ( -0.820 -1.096 -3.490) 3.749 11.080 ( -0.820 1.096 -3.490) 3.749 11.399 ( 3.565 -12.294 -2.386) 13.021 11.399 ( 3.565 12.294 -2.386) 13.021 11.491 ( -5.584 -10.929 -2.251) 12.478 11.491 ( -5.584 10.929 -2.251) 12.478 11.969 ( 6.146 -4.173 -4.952) 8.928 11.969 ( 6.146 4.173 -4.952) 8.928 12.101 ( -6.914 -2.124 -6.888) 9.989 12.101 ( -6.914 2.124 -6.888) 9.989 12.690 ( 3.693 -1.892 3.815) 5.637 12.690 ( 3.693 1.892 3.815) 5.637 12.765 ( -4.202 -2.115 2.738) 5.443 12.765 ( -4.202 2.115 2.738) 5.443 12.996 ( 5.607 -6.996 -0.339) 8.972 12.996 ( 5.607 6.996 -0.339) 8.972 13.078 ( -2.366 -4.762 -2.156) 5.738 13.078 ( -2.366 4.762 -2.156) 5.738 13.390 ( 4.611 -0.661 0.628) 4.700 13.390 ( 4.611 0.661 0.628) 4.700 13.504 ( -6.409 -1.216 -1.947) 6.807 13.504 ( -6.409 1.216 -1.947) 6.807 14.148 ( 7.191 -2.255 4.544) 8.800 14.148 ( 7.191 2.255 4.544) 8.800 14.308 ( -9.408 -2.974 3.431) 10.447 14.308 ( -9.408 2.974 3.431) 10.447 15.091 ( 5.114 -7.013 6.978) 11.137 15.091 ( 5.114 7.013 6.978) 11.137 15.181 ( -4.494 -8.485 8.906) 13.096 15.181 ( -4.494 8.485 8.906) 13.096 15.531 ( 8.295 -1.378 1.003) 8.468 15.531 ( 8.295 1.378 1.003) 8.468 15.683 ( -7.423 -4.638 0.133) 8.754 15.683 ( -7.423 4.638 0.133) 8.754 16.163 ( 6.073 -1.681 2.484) 6.773 16.163 ( 6.073 1.681 2.484) 6.773 16.292 ( -7.315 -0.772 3.499) 8.145 16.292 ( -7.315 0.772 3.499) 8.145 17.038 ( 12.853 -4.236 -0.471) 13.541 17.038 ( 12.853 4.236 -0.471) 13.541 17.261 ( -10.467 -5.298 -1.156) 11.788 17.261 ( -10.467 5.298 -1.156) 11.788 24.231 ( 6.037 -1.485 1.915) 6.505 24.231 ( 6.037 1.485 1.915) 6.505 24.341 ( -5.386 -1.334 2.139) 5.947 24.341 ( -5.386 1.334 2.139) 5.947 25.847 ( 2.070 -1.936 6.587) 7.170 25.847 ( 2.070 1.936 6.587) 7.170 25.890 ( -2.405 -2.138 7.309) 7.986 25.890 ( -2.405 2.138 7.309) 7.986 26.580 ( 6.694 -0.611 1.922) 6.991 26.580 ( 6.694 0.611 1.922) 6.991 26.720 ( -7.888 -0.668 2.451) 8.287 26.720 ( -7.888 0.668 2.451) 8.287 27.876 ( 11.566 -6.138 -7.585) 15.132 27.876 ( 11.566 6.138 -7.585) 15.132 28.087 ( -10.454 -6.196 -6.367) 13.719 28.087 ( -10.454 6.196 -6.367) 13.719 ======================= Grid point 180 (61/90) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( 0.000 0.000 13.824) 13.824 1.902 ( 0.000 0.000 8.871) 8.871 2.128 ( 0.000 0.000 -5.112) 5.112 2.181 ( 0.000 0.000 7.301) 7.301 2.301 ( 0.000 0.000 -7.276) 7.276 2.337 ( 0.000 0.000 2.144) 2.144 2.353 ( 0.000 0.000 0.538) 0.538 2.423 ( 0.000 0.000 -5.072) 5.072 2.573 ( 0.000 0.000 -3.084) 3.084 2.580 ( 0.000 0.000 -2.329) 2.329 2.900 ( 0.000 0.000 -2.577) 2.577 2.902 ( 0.000 0.000 0.748) 0.748 4.409 ( 0.000 0.000 16.270) 16.270 4.687 ( 0.000 0.000 12.286) 12.286 4.764 ( 0.000 0.000 5.535) 5.535 4.980 ( 0.000 0.000 -9.120) 9.120 5.192 ( 0.000 0.000 -6.151) 6.151 5.374 ( 0.000 0.000 -2.881) 2.881 5.849 ( 0.000 0.000 -14.351) 14.351 5.862 ( 0.000 0.000 -9.566) 9.566 5.888 ( 0.000 0.000 8.557) 8.557 6.062 ( 0.000 0.000 -2.223) 2.223 6.172 ( 0.000 0.000 18.263) 18.263 6.309 ( 0.000 0.000 3.182) 3.182 6.549 ( 0.000 0.000 7.487) 7.487 6.768 ( 0.000 0.000 -17.342) 17.342 7.571 ( 0.000 0.000 17.961) 17.961 7.989 ( 0.000 0.000 2.921) 2.921 8.403 ( 0.000 0.000 -10.941) 10.941 8.454 ( 0.000 0.000 -10.665) 10.665 8.878 ( 0.000 0.000 -4.983) 4.983 9.001 ( 0.000 0.000 -10.173) 10.173 9.019 ( 0.000 0.000 -1.378) 1.378 9.244 ( 0.000 0.000 -11.350) 11.350 10.057 ( 0.000 0.000 7.359) 7.359 10.337 ( 0.000 0.000 -7.445) 7.445 11.278 ( 0.000 0.000 5.012) 5.012 11.347 ( 0.000 0.000 -1.076) 1.076 11.421 ( 0.000 0.000 -0.516) 0.516 11.440 ( 0.000 0.000 -7.740) 7.740 11.466 ( 0.000 0.000 -0.200) 0.200 11.564 ( 0.000 0.000 -6.172) 6.172 11.899 ( 0.000 0.000 2.196) 2.196 11.943 ( 0.000 0.000 0.619) 0.619 11.949 ( 0.000 0.000 -6.631) 6.631 11.957 ( 0.000 0.000 -5.427) 5.427 12.447 ( 0.000 0.000 -3.659) 3.659 12.454 ( 0.000 0.000 -1.575) 1.575 12.624 ( 0.000 0.000 1.593) 1.593 12.657 ( 0.000 0.000 0.078) 0.078 12.756 ( 0.000 0.000 4.783) 4.783 12.872 ( 0.000 0.000 0.645) 0.645 13.069 ( 0.000 0.000 -1.959) 1.959 13.095 ( 0.000 0.000 -3.524) 3.524 13.376 ( 0.000 0.000 4.724) 4.724 13.452 ( 0.000 0.000 1.847) 1.847 13.486 ( 0.000 0.000 3.052) 3.052 13.489 ( 0.000 0.000 5.527) 5.527 13.564 ( 0.000 0.000 -1.459) 1.459 13.580 ( 0.000 0.000 -0.314) 0.314 13.710 ( 0.000 0.000 4.241) 4.241 13.873 ( 0.000 0.000 -4.698) 4.698 14.386 ( 0.000 0.000 3.477) 3.477 14.422 ( 0.000 0.000 1.532) 1.532 14.609 ( 0.000 0.000 3.032) 3.032 14.755 ( 0.000 0.000 -4.406) 4.406 15.197 ( 0.000 0.000 4.295) 4.295 15.229 ( 0.000 0.000 4.841) 4.841 15.599 ( 0.000 0.000 3.533) 3.533 15.648 ( 0.000 0.000 3.819) 3.819 15.884 ( 0.000 0.000 8.912) 8.912 15.995 ( 0.000 0.000 7.399) 7.399 16.155 ( 0.000 0.000 -5.041) 5.041 16.346 ( 0.000 0.000 -9.342) 9.342 16.438 ( 0.000 0.000 3.966) 3.966 16.532 ( 0.000 0.000 -0.246) 0.246 16.779 ( 0.000 0.000 13.704) 13.704 17.058 ( 0.000 0.000 -0.208) 0.208 17.059 ( 0.000 0.000 3.947) 3.947 17.379 ( 0.000 0.000 -13.058) 13.058 24.085 ( 0.000 0.000 2.771) 2.771 24.157 ( 0.000 0.000 -0.826) 0.826 24.478 ( 0.000 0.000 2.762) 2.762 24.521 ( 0.000 0.000 0.914) 0.914 25.975 ( 0.000 0.000 4.974) 4.974 26.084 ( 0.000 0.000 0.271) 0.271 26.263 ( 0.000 0.000 1.931) 1.931 26.284 ( 0.000 0.000 0.832) 0.832 26.303 ( 0.000 0.000 8.695) 8.695 26.489 ( 0.000 0.000 1.500) 1.500 26.788 ( 0.000 0.000 -0.702) 0.702 26.826 ( 0.000 0.000 -2.586) 2.586 26.900 ( 0.000 0.000 3.961) 3.961 27.058 ( 0.000 0.000 -6.374) 6.374 28.088 ( 0.000 0.000 2.597) 2.597 28.316 ( 0.000 0.000 -7.633) 7.633 ======================= Grid point 181 (62/90) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.820 ( 5.833 0.000 11.951) 13.299 1.944 ( 4.278 0.000 8.010) 9.081 2.143 ( 1.241 0.000 -4.139) 4.321 2.164 ( -2.116 0.000 6.423) 6.763 2.309 ( -2.218 0.000 2.360) 3.239 2.311 ( 0.902 0.000 -5.599) 5.672 2.351 ( -0.768 0.000 -0.269) 0.814 2.430 ( -0.665 0.000 -5.064) 5.108 2.550 ( -0.674 0.000 -0.974) 1.184 2.580 ( -0.042 0.000 -3.521) 3.521 2.897 ( 0.338 0.000 -0.337) 0.477 2.918 ( 0.754 0.000 -2.226) 2.351 4.534 ( 12.917 0.000 15.868) 20.461 4.699 ( 1.628 0.000 10.972) 11.092 4.787 ( 1.686 0.000 4.906) 5.188 5.070 ( 9.147 0.000 -7.547) 11.858 5.180 ( -0.520 0.000 -2.364) 2.421 5.386 ( -0.324 0.000 -4.972) 4.982 5.688 ( -6.698 0.000 -2.793) 7.257 5.712 ( -15.245 0.000 9.837) 18.143 5.918 ( -2.395 0.000 -15.495) 15.679 6.005 ( -8.381 0.000 -4.350) 9.443 6.228 ( 5.157 0.000 18.596) 19.298 6.391 ( 8.259 0.000 -2.713) 8.694 6.542 ( -0.883 0.000 7.593) 7.645 6.759 ( -1.400 0.000 -18.224) 18.278 7.544 ( -1.658 0.000 16.996) 17.077 7.904 ( -8.271 0.000 3.648) 9.040 8.421 ( 2.133 0.000 -10.572) 10.785 8.483 ( 2.023 0.000 -10.626) 10.817 8.881 ( 0.342 0.000 -5.544) 5.555 8.981 ( -1.988 0.000 -9.713) 9.914 9.043 ( 4.029 0.000 2.246) 4.613 9.373 ( 12.127 0.000 -12.868) 17.682 9.862 ( -17.206 0.000 8.883) 19.364 10.255 ( -9.887 0.000 -11.073) 14.845 11.325 ( 3.522 0.000 3.472) 4.946 11.409 ( 6.200 0.000 -2.222) 6.586 11.412 ( -0.910 0.000 -0.804) 1.215 11.490 ( 5.158 0.000 -7.874) 9.413 11.500 ( 4.123 0.000 0.605) 4.167 11.602 ( 2.857 0.000 -4.331) 5.189 11.862 ( -6.856 0.000 -5.203) 8.607 11.899 ( 1.135 0.000 3.891) 4.053 11.932 ( -4.782 0.000 -8.119) 9.423 11.988 ( 3.261 0.000 0.129) 3.263 12.455 ( 2.998 0.000 -0.175) 3.003 12.526 ( 4.818 0.000 -1.991) 5.214 12.618 ( -0.646 0.000 0.874) 1.087 12.649 ( -1.367 0.000 -0.691) 1.532 12.742 ( -0.309 0.000 6.144) 6.152 12.861 ( -1.374 0.000 1.068) 1.740 13.057 ( -0.921 0.000 -1.124) 1.453 13.099 ( -0.580 0.000 -3.476) 3.524 13.382 ( -5.366 0.000 5.152) 7.439 13.384 ( 0.783 0.000 3.358) 3.448 13.449 ( -0.517 0.000 1.075) 1.192 13.488 ( 0.524 0.000 3.655) 3.693 13.523 ( -5.194 0.000 -2.069) 5.591 13.556 ( -0.818 0.000 -0.408) 0.914 13.802 ( 7.298 0.000 5.042) 8.871 13.949 ( 3.682 0.000 -2.696) 4.564 14.385 ( 0.004 0.000 3.279) 3.279 14.415 ( -0.662 0.000 1.670) 1.797 14.557 ( -4.548 0.000 2.565) 5.222 14.653 ( -7.927 0.000 -1.245) 8.024 15.195 ( 2.764 0.000 4.398) 5.194 15.325 ( 5.095 0.000 -0.903) 5.174 15.665 ( 6.965 0.000 5.171) 8.675 15.734 ( 7.634 0.000 3.326) 8.327 15.920 ( 3.564 0.000 7.914) 8.679 15.966 ( -2.706 0.000 6.714) 7.238 16.144 ( -1.414 0.000 -3.352) 3.638 16.260 ( -8.200 0.000 -6.338) 10.364 16.436 ( -0.043 0.000 3.131) 3.131 16.518 ( -1.486 0.000 -0.309) 1.518 16.792 ( 0.731 0.000 10.720) 10.745 16.994 ( -4.646 0.000 1.633) 4.925 17.110 ( 3.660 0.000 0.950) 3.781 17.359 ( -2.169 0.000 -11.496) 11.699 24.127 ( 4.337 0.000 2.861) 5.196 24.202 ( 4.487 0.000 -0.859) 4.568 24.446 ( -3.406 0.000 2.852) 4.443 24.495 ( -2.805 0.000 0.649) 2.879 25.993 ( 1.856 0.000 5.322) 5.636 26.097 ( 0.985 0.000 1.628) 1.902 26.265 ( 0.208 0.000 1.840) 1.852 26.282 ( -0.207 0.000 0.953) 0.975 26.288 ( -1.044 0.000 6.383) 6.468 26.460 ( -3.064 0.000 0.447) 3.096 26.791 ( 0.386 0.000 -0.896) 0.976 26.823 ( -0.375 0.000 -2.419) 2.448 26.915 ( 1.665 0.000 4.076) 4.403 27.051 ( -0.917 0.000 -4.395) 4.490 28.102 ( 1.619 0.000 1.526) 2.225 28.288 ( -2.825 0.000 -6.706) 7.276 ======================= Grid point 182 (63/90) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.955 ( 7.848 0.000 8.213) 11.360 2.045 ( 5.939 0.000 5.681) 8.218 2.089 ( -5.955 0.000 5.831) 8.335 2.137 ( -2.952 0.000 1.092) 3.148 2.287 ( 0.715 0.000 -0.223) 0.749 2.322 ( -2.163 0.000 -1.342) 2.546 2.333 ( 1.581 0.000 -3.157) 3.531 2.379 ( -3.395 0.000 -2.855) 4.436 2.570 ( 1.609 0.000 -1.985) 2.555 2.584 ( 0.126 0.000 -2.928) 2.931 2.909 ( 0.872 0.000 -1.350) 1.607 2.922 ( -0.325 0.000 -2.373) 2.395 4.747 ( 3.160 0.000 7.885) 8.495 4.795 ( -1.276 0.000 4.722) 4.892 4.859 ( 20.612 0.000 14.648) 25.287 5.196 ( -7.186 0.000 6.725) 9.842 5.204 ( 3.692 0.000 1.626) 4.034 5.310 ( -6.633 0.000 -0.822) 6.683 5.487 ( 2.735 0.000 -0.436) 2.770 5.681 ( 5.029 0.000 -4.936) 7.046 5.751 ( -17.052 0.000 -5.261) 17.845 5.811 ( -7.614 0.000 -10.438) 12.920 6.351 ( 7.696 0.000 16.001) 17.755 6.486 ( -5.664 0.000 10.907) 12.290 6.564 ( 8.972 0.000 -12.934) 15.742 6.700 ( -5.221 0.000 -17.985) 18.728 7.568 ( 5.111 0.000 12.327) 13.345 7.721 ( -10.155 0.000 6.658) 12.143 8.471 ( 2.633 0.000 -10.274) 10.606 8.501 ( -0.341 0.000 -10.359) 10.365 8.896 ( 1.476 0.000 -6.965) 7.120 8.936 ( -2.551 0.000 -8.545) 8.918 9.199 ( 12.693 0.000 7.521) 14.754 9.493 ( -16.479 0.000 8.931) 18.743 9.672 ( 14.885 0.000 -13.695) 20.226 9.991 ( -16.953 0.000 -14.227) 22.132 11.371 ( 1.489 0.000 0.517) 1.576 11.393 ( -1.054 0.000 -0.579) 1.202 11.553 ( 8.531 0.000 -4.258) 9.534 11.592 ( 4.227 0.000 0.147) 4.229 11.621 ( 8.554 0.000 -8.424) 12.006 11.633 ( -0.082 0.000 -2.000) 2.002 11.715 ( -8.487 0.000 -4.913) 9.807 11.793 ( -9.137 0.000 -8.794) 12.681 11.956 ( 4.427 0.000 4.990) 6.671 12.018 ( -0.977 0.000 2.310) 2.508 12.539 ( 4.822 0.000 2.068) 5.247 12.587 ( 0.599 0.000 0.642) 0.878 12.603 ( -0.611 0.000 -0.077) 0.616 12.612 ( -1.654 0.000 -0.232) 1.671 12.767 ( 2.563 0.000 4.914) 5.542 12.821 ( -2.796 0.000 2.654) 3.856 13.043 ( -0.062 0.000 -0.682) 0.685 13.066 ( -2.166 0.000 -1.778) 2.802 13.364 ( 2.734 0.000 2.174) 3.493 13.404 ( 1.317 0.000 1.171) 1.762 13.430 ( -1.395 0.000 0.354) 1.439 13.437 ( -4.249 0.000 -1.010) 4.367 13.508 ( 1.401 0.000 3.586) 3.850 13.535 ( -1.367 0.000 1.849) 2.300 13.903 ( 3.362 0.000 2.263) 4.053 13.955 ( -2.188 0.000 -0.447) 2.233 14.389 ( 0.411 0.000 2.735) 2.766 14.401 ( -0.809 0.000 2.101) 2.251 14.494 ( -0.617 0.000 3.158) 3.218 14.537 ( -4.365 0.000 1.873) 4.750 15.285 ( 5.802 0.000 1.769) 6.066 15.364 ( -1.452 0.000 -1.356) 1.986 15.808 ( 6.893 0.000 4.793) 8.396 15.886 ( 4.558 0.000 1.625) 4.839 15.916 ( 1.045 0.000 4.851) 4.963 16.005 ( 5.150 0.000 5.145) 7.280 16.081 ( -10.152 0.000 -2.200) 10.388 16.094 ( -3.971 0.000 0.955) 4.085 16.447 ( 1.355 0.000 1.095) 1.742 16.482 ( -2.156 0.000 -0.139) 2.161 16.813 ( 2.387 0.000 6.841) 7.246 16.892 ( -5.587 0.000 3.342) 6.511 17.200 ( 5.507 0.000 -3.051) 6.296 17.297 ( -4.490 0.000 -7.741) 8.949 24.233 ( 6.512 0.000 2.970) 7.157 24.305 ( 5.536 0.000 -0.527) 5.561 24.358 ( -5.277 0.000 2.883) 6.013 24.419 ( -5.172 0.000 0.029) 5.172 26.040 ( 3.038 0.000 6.081) 6.798 26.092 ( -1.914 0.000 5.529) 5.851 26.271 ( 0.336 0.000 1.589) 1.624 26.277 ( -0.336 0.000 1.251) 1.295 26.300 ( 2.957 0.000 0.692) 3.037 26.381 ( -4.925 0.000 -0.851) 4.998 26.801 ( 0.619 0.000 -1.390) 1.522 26.813 ( -0.613 0.000 -1.971) 2.064 26.962 ( 3.094 0.000 3.046) 4.342 27.018 ( -2.609 0.000 -0.277) 2.624 28.149 ( 3.341 0.000 -1.196) 3.549 28.221 ( -4.042 0.000 -4.307) 5.907 ======================= Grid point 185 (64/90) ======================= q-point: ( 0.00 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 0.000 -0.306 13.015) 13.019 2.048 ( 0.000 10.171 7.970) 12.922 2.196 ( 0.000 2.787 5.693) 6.339 2.237 ( 0.000 -2.263 -3.953) 4.555 2.306 ( 0.000 12.886 -2.526) 13.131 2.376 ( 0.000 0.602 -1.004) 1.171 2.422 ( 0.000 -0.104 -5.161) 5.162 2.521 ( 0.000 7.805 -1.035) 7.873 2.681 ( 0.000 15.066 -0.985) 15.098 2.770 ( 0.000 19.941 -2.751) 20.130 2.962 ( 0.000 8.723 0.949) 8.775 2.972 ( 0.000 8.979 -2.306) 9.270 4.404 ( 0.000 -0.147 15.140) 15.141 4.721 ( 0.000 3.069 12.052) 12.436 4.850 ( 0.000 8.426 4.805) 9.699 4.939 ( 0.000 -3.646 -8.461) 9.213 5.239 ( 0.000 4.770 -5.778) 7.493 5.456 ( 0.000 7.291 -7.033) 10.130 5.709 ( 0.000 -10.225 -4.203) 11.055 5.900 ( 0.000 3.447 -3.325) 4.789 5.914 ( 0.000 2.379 0.397) 2.412 6.133 ( 0.000 4.541 -5.303) 6.981 6.275 ( 0.000 -1.691 5.288) 5.552 6.280 ( 0.000 10.828 18.743) 21.646 6.699 ( 0.000 12.631 4.185) 13.306 6.743 ( 0.000 -2.018 -14.759) 14.896 7.513 ( 0.000 -5.681 14.455) 15.531 7.892 ( 0.000 -8.780 -0.327) 8.786 8.371 ( 0.000 -1.916 -8.767) 8.974 8.448 ( 0.000 -0.325 -10.864) 10.869 8.861 ( 0.000 -1.617 -4.877) 5.139 8.983 ( 0.000 -1.739 -9.816) 9.969 9.208 ( 0.000 16.965 -0.696) 16.980 9.352 ( 0.000 10.565 -8.005) 13.255 10.025 ( 0.000 -3.219 8.036) 8.657 10.346 ( 0.000 0.605 -8.593) 8.615 11.210 ( 0.000 -6.736 4.381) 8.035 11.298 ( 0.000 -5.352 0.036) 5.352 11.343 ( 0.000 -7.212 -1.037) 7.286 11.395 ( 0.000 -6.347 -5.806) 8.603 11.422 ( 0.000 -3.962 -1.691) 4.307 11.499 ( 0.000 -4.841 -7.498) 8.925 11.781 ( 0.000 -10.089 2.761) 10.460 11.852 ( 0.000 -6.647 -1.547) 6.824 11.978 ( 0.000 1.746 -6.399) 6.633 11.988 ( 0.000 2.015 -5.995) 6.325 12.474 ( 0.000 0.107 -0.032) 0.112 12.481 ( 0.000 1.902 -2.737) 3.333 12.641 ( 0.000 1.566 1.897) 2.460 12.671 ( 0.000 0.881 1.044) 1.366 12.723 ( 0.000 -1.765 3.033) 3.510 12.846 ( 0.000 -2.940 -1.093) 3.137 13.037 ( 0.000 -5.435 -0.674) 5.477 13.054 ( 0.000 -2.550 0.749) 2.658 13.281 ( 0.000 -6.329 -0.367) 6.339 13.325 ( 0.000 -7.755 0.442) 7.768 13.373 ( 0.000 -3.476 6.428) 7.307 13.518 ( 0.000 -2.951 -0.680) 3.028 13.571 ( 0.000 2.119 2.278) 3.111 13.644 ( 0.000 -2.153 -0.811) 2.300 13.816 ( 0.000 7.787 5.012) 9.261 13.957 ( 0.000 7.245 -3.133) 7.893 14.329 ( 0.000 -2.750 2.084) 3.451 14.363 ( 0.000 0.240 1.080) 1.106 14.703 ( 0.000 7.329 4.598) 8.652 14.866 ( 0.000 7.512 -3.530) 8.300 15.243 ( 0.000 1.211 5.918) 6.041 15.245 ( 0.000 4.156 3.855) 5.669 15.619 ( 0.000 1.247 2.761) 3.030 15.644 ( 0.000 -0.346 3.357) 3.374 15.924 ( 0.000 3.183 8.819) 9.376 15.954 ( 0.000 -2.597 4.925) 5.568 16.225 ( 0.000 5.869 -1.938) 6.181 16.283 ( 0.000 -6.332 -3.901) 7.437 16.422 ( 0.000 -9.757 0.320) 9.762 16.429 ( 0.000 -0.374 -2.020) 2.054 16.771 ( 0.000 -1.168 11.979) 12.036 16.998 ( 0.000 -5.645 0.845) 5.708 17.122 ( 0.000 5.672 3.209) 6.517 17.396 ( 0.000 1.639 -11.684) 11.799 24.086 ( 0.000 0.186 2.645) 2.652 24.153 ( 0.000 -0.370 -0.690) 0.783 24.474 ( 0.000 -0.316 2.673) 2.692 24.518 ( 0.000 -0.356 0.824) 0.897 25.944 ( 0.000 -2.508 4.506) 5.157 26.036 ( 0.000 -3.698 0.400) 3.719 26.196 ( 0.000 -4.008 7.998) 8.946 26.348 ( 0.000 4.928 1.925) 5.290 26.376 ( 0.000 -8.158 1.073) 8.228 26.398 ( 0.000 6.021 1.606) 6.232 26.863 ( 0.000 6.133 -0.026) 6.133 26.934 ( 0.000 4.194 3.277) 5.322 26.946 ( 0.000 7.081 0.983) 7.149 27.092 ( 0.000 5.207 -9.707) 11.016 28.076 ( 0.000 -0.921 2.333) 2.509 28.300 ( 0.000 -1.391 -7.744) 7.868 ======================= Grid point 186 (65/90) ======================= q-point: ( 0.20 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.806 ( 5.217 -0.765 11.508) 12.658 2.076 ( 2.262 8.445 7.332) 11.410 2.169 ( -1.807 0.849 2.702) 3.359 2.257 ( 1.267 -0.313 -0.535) 1.411 2.287 ( -1.699 8.824 -0.821) 9.024 2.377 ( -0.077 2.306 -1.146) 2.576 2.453 ( 2.268 2.831 -5.494) 6.583 2.494 ( -2.208 6.715 -1.815) 7.298 2.680 ( 0.197 16.379 -0.520) 16.388 2.754 ( -1.526 19.580 -2.202) 19.763 2.966 ( 0.410 8.989 0.225) 9.001 2.976 ( 0.342 8.101 -2.308) 8.430 4.518 ( 11.446 -0.878 14.567) 18.547 4.747 ( 2.725 3.688 11.229) 12.129 4.870 ( 1.895 8.492 4.315) 9.713 5.017 ( 7.939 -4.682 -7.569) 11.927 5.226 ( -1.137 4.674 -2.774) 5.553 5.444 ( -2.784 4.223 -9.118) 10.427 5.642 ( -4.156 -5.394 2.588) 7.284 5.759 ( -13.174 4.241 6.389) 15.243 5.837 ( -5.499 0.676 -5.070) 7.510 6.156 ( -3.332 8.932 -9.641) 13.559 6.300 ( 5.104 3.486 7.962) 10.079 6.387 ( 8.742 3.744 7.520) 12.124 6.625 ( -4.791 4.754 -0.479) 6.766 6.777 ( 0.617 4.486 -9.792) 10.788 7.491 ( -1.029 -5.204 14.742) 15.668 7.830 ( -6.298 -6.896 1.541) 9.466 8.392 ( 2.193 -2.002 -8.758) 9.248 8.465 ( 1.283 -0.950 -10.257) 10.380 8.858 ( -0.136 -1.967 -5.604) 5.941 8.957 ( -2.483 -1.990 -9.640) 10.152 9.226 ( 2.858 16.087 1.605) 16.417 9.453 ( 9.350 7.579 -9.375) 15.257 9.875 ( -13.308 1.224 8.137) 15.647 10.256 ( -9.833 0.066 -11.026) 14.774 11.258 ( 3.641 -6.408 3.002) 7.958 11.336 ( 1.754 -6.649 -1.146) 6.971 11.355 ( 3.141 -7.496 0.831) 8.169 11.441 ( 5.128 -4.860 -4.682) 8.476 11.459 ( 3.839 -5.554 -2.664) 7.258 11.534 ( 3.137 -3.441 -7.016) 8.420 11.768 ( -1.684 -9.005 2.499) 9.496 11.886 ( 2.462 -8.143 -0.648) 8.532 11.914 ( -4.453 1.627 -4.406) 6.472 11.962 ( -3.894 1.451 -8.333) 9.312 12.484 ( 2.231 0.632 0.594) 2.393 12.529 ( 3.092 -0.756 -0.840) 3.292 12.630 ( -0.788 1.117 1.035) 1.715 12.659 ( -1.860 1.137 -0.683) 2.285 12.727 ( 1.656 -0.730 5.311) 5.611 12.842 ( -0.559 -1.951 0.810) 2.185 13.032 ( -0.702 -3.436 0.704) 3.577 13.065 ( 0.569 -3.394 -1.914) 3.937 13.253 ( -1.087 -5.907 1.736) 6.252 13.344 ( 0.708 -7.370 -0.903) 7.459 13.377 ( 0.386 -2.339 4.444) 5.037 13.476 ( -3.716 -3.258 0.065) 4.942 13.533 ( -2.617 -0.399 1.032) 2.841 13.582 ( -4.401 1.150 -0.020) 4.548 13.888 ( 5.299 6.429 4.394) 9.419 13.998 ( 2.058 3.554 -1.816) 4.491 14.337 ( 1.115 -1.958 2.876) 3.654 14.380 ( 1.304 1.102 1.254) 2.118 14.660 ( -3.718 8.098 3.895) 9.725 14.773 ( -7.684 8.945 -0.574) 11.806 15.228 ( 2.152 2.358 3.726) 4.906 15.332 ( 3.811 0.706 0.129) 3.878 15.668 ( 5.767 -0.318 4.812) 7.517 15.729 ( 7.401 -0.553 2.928) 7.979 15.943 ( -1.033 -0.704 5.712) 5.847 15.957 ( 3.062 2.156 7.099) 8.026 16.178 ( -3.726 1.238 -0.535) 3.962 16.258 ( -4.901 0.805 -3.618) 6.144 16.381 ( -2.066 -5.355 0.570) 5.767 16.416 ( -1.532 -7.463 -0.517) 7.637 16.795 ( 2.136 -0.165 9.487) 9.726 17.027 ( 1.317 -0.763 -1.800) 2.357 17.090 ( -1.290 1.824 4.439) 4.970 17.371 ( -2.781 1.123 -10.550) 10.968 24.129 ( 4.299 0.155 2.731) 5.095 24.198 ( 4.456 -0.406 -0.718) 4.532 24.443 ( -3.341 -0.261 2.754) 4.338 24.491 ( -2.831 -0.384 0.592) 2.918 25.961 ( 1.725 -2.570 4.796) 5.708 26.048 ( 0.887 -3.681 1.336) 4.016 26.189 ( -0.397 -4.291 7.176) 8.370 26.324 ( -3.263 -3.111 3.685) 5.823 26.364 ( 1.093 4.605 -0.583) 4.768 26.424 ( 1.043 3.266 -0.110) 3.430 26.815 ( -3.201 1.049 0.230) 3.376 26.867 ( -4.707 3.406 -0.129) 5.812 27.016 ( 4.804 8.593 1.802) 10.008 27.130 ( 2.424 9.006 -5.751) 10.958 28.084 ( 1.067 -1.595 1.320) 2.329 28.269 ( -3.164 -1.756 -6.871) 7.766 ======================= Grid point 187 (66/90) ======================= q-point: ( 0.40 0.12 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( 7.185 -1.420 8.304) 11.073 2.051 ( -5.275 -0.560 6.045) 8.042 2.190 ( 3.689 5.619 1.677) 6.928 2.246 ( -2.151 3.796 -1.445) 4.597 2.287 ( 1.805 3.403 3.552) 5.240 2.343 ( -3.544 4.727 2.983) 6.619 2.473 ( 0.907 6.924 -5.541) 8.915 2.486 ( 0.098 4.751 -5.629) 7.367 2.695 ( 1.245 16.757 -0.393) 16.808 2.722 ( -1.670 18.078 -1.108) 18.189 2.974 ( 0.414 8.502 -1.027) 8.574 2.979 ( -0.081 7.759 -1.968) 8.005 4.748 ( 8.666 -0.915 10.866) 13.928 4.808 ( 1.682 1.851 8.171) 8.545 4.947 ( 10.109 8.725 7.104) 15.126 5.163 ( -2.274 -1.900 3.717) 4.754 5.204 ( 3.776 -0.971 -4.399) 5.878 5.333 ( -7.727 -0.175 -4.474) 8.931 5.515 ( -4.752 4.591 7.015) 9.637 5.591 ( -6.839 -3.370 1.556) 7.781 5.804 ( 5.440 8.029 -6.632) 11.749 5.992 ( -12.043 10.523 -9.245) 18.473 6.417 ( 6.716 3.830 5.769) 9.647 6.526 ( -3.033 1.818 -0.610) 3.589 6.582 ( 7.506 3.850 -1.974) 8.664 6.728 ( -5.927 5.171 -7.539) 10.895 7.530 ( 5.733 -3.837 11.641) 13.531 7.679 ( -9.022 -4.129 5.991) 11.591 8.442 ( 2.652 -2.199 -8.795) 9.445 8.475 ( -0.605 -1.798 -9.299) 9.491 8.866 ( 1.213 -2.585 -7.299) 7.838 8.905 ( -2.723 -2.589 -8.837) 9.603 9.336 ( 9.092 12.112 5.485) 16.107 9.542 ( -9.752 4.148 5.374) 11.882 9.741 ( 9.890 7.109 -9.375) 15.370 10.009 ( -15.307 1.918 -12.814) 20.054 11.306 ( 1.689 -5.986 0.424) 6.234 11.330 ( -0.961 -6.006 -0.584) 6.110 11.465 ( 5.736 -10.212 0.953) 11.751 11.518 ( 0.447 -10.202 -1.620) 10.340 11.557 ( 6.592 -2.191 -4.786) 8.435 11.632 ( 8.212 0.588 -8.011) 11.487 11.687 ( -6.737 -4.256 -2.218) 8.272 11.803 ( -8.742 0.245 -6.820) 11.091 11.901 ( 1.124 -4.565 0.250) 4.708 11.926 ( -0.429 -7.792 0.140) 7.805 12.535 ( 2.227 -2.083 1.861) 3.572 12.558 ( -0.243 -2.388 0.994) 2.598 12.624 ( 0.503 1.901 0.121) 1.970 12.637 ( -0.425 1.732 -0.379) 1.823 12.775 ( 2.892 0.496 5.458) 6.197 12.821 ( -1.811 -0.217 4.044) 4.437 13.026 ( 0.582 -2.020 -0.035) 2.102 13.052 ( -1.670 -1.457 -2.061) 3.026 13.277 ( 3.489 -6.460 1.056) 7.418 13.343 ( -1.593 -7.369 -0.590) 7.563 13.371 ( -0.390 -3.321 0.687) 3.414 13.403 ( -3.666 -2.904 -1.708) 4.979 13.503 ( 0.614 -0.109 2.736) 2.806 13.531 ( -1.810 -0.272 1.508) 2.371 13.960 ( 2.432 4.859 2.499) 5.981 13.998 ( -1.635 3.416 0.330) 3.802 14.370 ( 1.969 -0.884 2.984) 3.683 14.393 ( -0.237 0.428 1.908) 1.970 14.608 ( -0.692 9.814 3.388) 10.405 14.649 ( -4.778 10.043 2.344) 11.366 15.298 ( 4.467 0.786 0.633) 4.579 15.358 ( -1.173 -0.642 -1.557) 2.052 15.801 ( 7.174 -1.402 5.495) 9.145 15.878 ( 5.044 -3.288 4.169) 7.324 15.915 ( 0.656 2.565 3.160) 4.122 16.008 ( 0.391 -0.966 4.428) 4.549 16.109 ( -3.681 1.466 1.039) 4.096 16.121 ( -6.376 4.054 2.302) 7.899 16.365 ( 0.110 -7.089 -0.703) 7.124 16.384 ( -1.670 -7.559 -1.052) 7.812 16.852 ( 4.314 2.902 6.512) 8.333 16.954 ( -6.070 5.351 3.288) 8.734 17.170 ( 6.766 -2.715 -3.104) 7.923 17.291 ( -5.684 -0.427 -7.655) 9.544 24.233 ( 6.432 0.054 2.838) 7.031 24.301 ( 5.663 -0.408 -0.462) 5.696 24.356 ( -5.312 -0.160 2.810) 6.012 24.415 ( -5.200 -0.442 0.054) 5.219 26.004 ( 2.669 -2.807 5.327) 6.587 26.047 ( -1.437 -3.269 4.435) 5.694 26.201 ( 2.078 -4.818 4.155) 6.692 26.258 ( -3.581 -4.447 3.169) 6.530 26.394 ( 1.947 6.783 -1.254) 7.167 26.425 ( -0.957 6.191 -1.672) 6.483 26.774 ( -0.791 -2.405 0.222) 2.541 26.793 ( -2.757 -1.118 -0.627) 3.041 27.101 ( 3.890 11.812 1.092) 12.484 27.148 ( -0.852 12.128 -1.560) 12.257 28.122 ( 3.083 -2.582 -1.413) 4.262 28.195 ( -4.331 -2.487 -4.554) 6.759 ======================= Grid point 190 (67/90) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.758 ( 0.000 0.804 11.037) 11.066 2.088 ( 0.000 -4.813 2.701) 5.519 2.264 ( 0.000 3.747 -0.224) 3.754 2.270 ( 0.000 4.643 5.177) 6.954 2.371 ( 0.000 -0.155 -0.138) 0.208 2.410 ( 0.000 -1.277 -3.122) 3.374 2.470 ( 0.000 2.725 -3.954) 4.802 2.572 ( 0.000 -0.224 0.257) 0.341 3.109 ( 0.000 24.844 1.183) 24.872 3.242 ( 0.000 25.853 -3.072) 26.035 3.277 ( 0.000 20.217 -0.962) 20.240 3.292 ( 0.000 22.328 -0.532) 22.334 4.418 ( 0.000 1.799 12.392) 12.522 4.754 ( 0.000 -1.827 5.507) 5.802 4.890 ( 0.000 0.794 -0.297) 0.848 5.062 ( 0.000 12.652 2.471) 12.891 5.369 ( 0.000 8.391 -5.765) 10.181 5.445 ( 0.000 -9.715 -11.578) 15.114 5.694 ( 0.000 9.388 3.857) 10.150 5.940 ( 0.000 -0.621 -2.971) 3.035 5.984 ( 0.000 4.600 -1.945) 4.994 6.134 ( 0.000 -3.987 2.262) 4.584 6.352 ( 0.000 9.498 -0.668) 9.521 6.548 ( 0.000 14.106 10.528) 17.602 6.743 ( 0.000 4.634 -2.582) 5.304 6.933 ( 0.000 9.180 2.921) 9.634 7.376 ( 0.000 -7.587 8.184) 11.159 7.724 ( 0.000 -6.775 -3.713) 7.725 8.352 ( 0.000 -0.082 -6.796) 6.796 8.445 ( 0.000 -0.192 -11.026) 11.028 8.823 ( 0.000 -2.054 -5.298) 5.682 8.938 ( 0.000 -2.849 -9.109) 9.545 9.589 ( 0.000 20.754 1.275) 20.793 9.614 ( 0.000 15.400 -1.117) 15.440 9.944 ( 0.000 -4.396 8.767) 9.807 10.333 ( 0.000 -2.918 -10.481) 10.879 11.046 ( 0.000 -9.196 2.064) 9.424 11.157 ( 0.000 -7.787 0.555) 7.806 11.169 ( 0.000 -9.974 -0.978) 10.022 11.199 ( 0.000 -12.038 -5.020) 13.043 11.316 ( 0.000 -7.320 -1.623) 7.498 11.408 ( 0.000 -5.337 -7.794) 9.446 11.597 ( 0.000 -6.689 1.901) 6.954 11.719 ( 0.000 -5.990 -3.202) 6.792 12.020 ( 0.000 2.445 -6.947) 7.365 12.030 ( 0.000 2.248 -6.645) 7.015 12.363 ( 0.000 -11.979 3.675) 12.530 12.439 ( 0.000 -8.392 -1.621) 8.548 12.670 ( 0.000 0.783 1.590) 1.773 12.686 ( 0.000 1.354 1.335) 1.902 12.751 ( 0.000 3.559 0.388) 3.581 12.784 ( 0.000 -1.461 -0.194) 1.474 12.919 ( 0.000 -5.760 1.848) 6.049 12.965 ( 0.000 -5.166 4.593) 6.912 13.183 ( 0.000 -6.599 -0.159) 6.601 13.227 ( 0.000 -1.580 -5.979) 6.184 13.350 ( 0.000 -0.107 3.744) 3.745 13.428 ( 0.000 -4.944 -1.777) 5.254 13.502 ( 0.000 -7.418 2.913) 7.970 13.613 ( 0.000 1.887 -1.090) 2.179 13.950 ( 0.000 6.148 5.797) 8.450 14.093 ( 0.000 5.764 -1.787) 6.035 14.405 ( 0.000 8.171 1.257) 8.268 14.428 ( 0.000 5.761 1.166) 5.878 14.842 ( 0.000 6.579 4.916) 8.212 14.985 ( 0.000 4.589 -1.748) 4.911 15.270 ( 0.000 1.517 6.730) 6.899 15.314 ( 0.000 2.023 3.168) 3.758 15.602 ( 0.000 -3.437 2.967) 4.540 15.641 ( 0.000 0.181 1.625) 1.635 15.943 ( 0.000 1.904 3.509) 3.992 15.944 ( 0.000 -3.376 10.642) 11.165 16.150 ( 0.000 -5.023 -3.255) 5.985 16.207 ( 0.000 -11.554 0.720) 11.576 16.351 ( 0.000 6.574 -0.840) 6.628 16.441 ( 0.000 1.812 -4.068) 4.453 16.742 ( 0.000 -1.355 8.770) 8.875 16.876 ( 0.000 -6.090 2.821) 6.711 17.244 ( 0.000 6.447 1.804) 6.695 17.432 ( 0.000 1.682 -8.650) 8.812 24.093 ( 0.000 0.468 2.254) 2.302 24.144 ( 0.000 -0.578 -0.304) 0.654 24.471 ( 0.000 0.014 2.339) 2.339 24.509 ( 0.000 -0.512 0.717) 0.881 25.900 ( 0.000 -1.717 4.035) 4.385 25.967 ( 0.000 -3.227 0.937) 3.360 26.125 ( 0.000 -3.186 7.552) 8.197 26.226 ( 0.000 -6.713 2.856) 7.295 26.440 ( 0.000 3.765 2.251) 4.387 26.486 ( 0.000 2.645 1.559) 3.070 26.968 ( 0.000 4.537 0.408) 4.555 27.011 ( 0.000 1.311 2.222) 2.580 27.074 ( 0.000 9.190 0.721) 9.218 27.263 ( 0.000 9.397 -10.988) 14.458 28.072 ( 0.000 1.091 1.521) 1.872 28.275 ( 0.000 -1.048 -7.719) 7.790 ======================= Grid point 191 (68/90) ======================= q-point: ( 0.20 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.481 0.394 10.178) 11.128 2.111 ( 2.405 -5.039 2.011) 5.934 2.176 ( -5.738 2.548 3.936) 7.410 2.310 ( -0.649 2.959 -0.325) 3.047 2.359 ( -1.082 0.907 3.062) 3.371 2.393 ( 0.283 0.276 -3.738) 3.759 2.495 ( 1.783 0.034 -1.264) 2.186 2.575 ( 0.129 1.225 -2.597) 2.874 3.111 ( 0.330 24.591 1.252) 24.625 3.222 ( -2.149 25.439 -1.722) 25.588 3.272 ( -0.132 20.177 -1.549) 20.237 3.292 ( -0.243 21.786 -0.957) 21.809 4.520 ( 10.058 1.288 11.814) 15.569 4.801 ( 3.928 0.572 8.586) 9.459 4.925 ( 4.091 -2.965 -2.809) 5.781 5.092 ( 3.156 13.243 1.712) 13.721 5.344 ( -4.367 2.077 -3.309) 5.859 5.390 ( -3.601 -2.597 -9.395) 10.391 5.680 ( -1.908 7.750 3.322) 8.646 5.849 ( -8.298 3.902 0.270) 9.174 5.914 ( -2.872 5.734 1.947) 6.702 6.255 ( 8.226 -4.431 -5.182) 10.684 6.324 ( -3.497 7.876 -5.340) 10.138 6.593 ( 1.986 9.479 -1.201) 9.759 6.690 ( -3.076 8.476 7.158) 11.512 6.950 ( 1.331 9.372 2.979) 9.924 7.367 ( 0.141 -6.572 10.459) 12.353 7.688 ( -3.912 -6.444 -1.169) 7.628 8.375 ( 2.283 0.317 -6.900) 7.275 8.456 ( 0.921 0.103 -10.138) 10.180 8.815 ( -0.656 -2.241 -6.158) 6.586 8.908 ( -2.906 -2.984 -9.186) 10.086 9.584 ( -0.237 19.224 1.686) 19.299 9.631 ( 1.372 9.934 -1.231) 10.103 9.907 ( -2.679 2.272 6.202) 7.128 10.250 ( -8.186 -1.223 -10.306) 13.218 11.100 ( 5.112 -9.459 1.917) 10.921 11.161 ( 0.980 -9.762 0.348) 9.817 11.183 ( 0.678 -8.754 -0.684) 8.807 11.239 ( 3.627 -12.420 -4.051) 13.559 11.360 ( 4.483 -6.962 -1.159) 8.361 11.481 ( 6.832 -4.096 -7.916) 11.230 11.584 ( -1.335 -7.438 1.064) 7.631 11.705 ( -1.294 -8.443 -2.514) 8.904 11.955 ( -5.604 2.235 -5.975) 8.492 11.994 ( -4.840 1.314 -7.720) 9.206 12.376 ( 1.554 -11.475 3.648) 12.140 12.450 ( 0.857 -9.380 -0.395) 9.427 12.663 ( -0.246 1.503 1.095) 1.876 12.686 ( -0.957 1.688 -0.375) 1.976 12.749 ( 1.556 2.852 3.689) 4.915 12.803 ( 0.865 -1.050 2.512) 2.857 12.949 ( 2.668 -4.325 -1.183) 5.218 12.964 ( 0.270 -4.911 4.153) 6.437 13.184 ( -0.125 -4.351 -1.678) 4.665 13.227 ( -0.260 -4.395 -4.741) 6.470 13.344 ( -1.234 -1.073 1.992) 2.577 13.394 ( -2.202 -2.853 -0.687) 3.669 13.485 ( -0.724 -3.607 2.236) 4.305 13.590 ( -2.827 0.822 -0.835) 3.061 14.000 ( 4.391 5.028 4.282) 7.931 14.079 ( -0.915 5.022 -0.151) 5.107 14.395 ( -1.214 5.644 2.689) 6.369 14.434 ( -0.227 3.690 1.231) 3.896 14.824 ( -1.090 8.453 4.575) 9.673 14.947 ( -3.798 8.599 0.214) 9.403 15.252 ( 0.717 0.245 3.615) 3.694 15.351 ( 1.251 0.806 -0.097) 1.491 15.627 ( 3.739 -4.067 5.049) 7.484 15.701 ( 5.115 -2.318 2.459) 6.130 15.938 ( 0.393 -3.958 7.235) 8.256 15.966 ( 0.409 0.978 5.920) 6.014 16.136 ( -0.642 -2.323 -1.760) 2.984 16.189 ( -1.390 -10.786 1.259) 10.948 16.338 ( -2.799 5.358 -0.124) 6.046 16.386 ( -4.266 2.287 -2.007) 5.240 16.788 ( 4.628 -0.150 6.718) 8.159 16.947 ( 7.178 -4.788 0.135) 8.630 17.193 ( -5.247 6.213 2.240) 8.435 17.395 ( -3.966 1.093 -8.099) 9.084 24.134 ( 4.230 0.441 2.333) 4.851 24.187 ( 4.386 -0.629 -0.316) 4.442 24.440 ( -3.240 0.056 2.404) 4.035 24.482 ( -2.906 -0.561 0.561) 3.013 25.916 ( 1.655 -1.723 4.315) 4.932 25.981 ( 1.289 -3.021 1.444) 3.588 26.113 ( -1.081 -3.459 7.174) 8.038 26.205 ( -2.131 -6.217 3.143) 7.284 26.461 ( 2.337 4.123 1.609) 5.005 26.506 ( 2.045 2.895 0.501) 3.580 26.850 ( -7.619 2.556 0.284) 8.042 26.906 ( -8.027 1.039 -0.306) 8.099 27.209 ( 8.995 10.741 0.863) 14.037 27.349 ( 6.213 11.419 -7.245) 14.882 28.059 ( -1.026 -0.502 0.819) 1.405 28.233 ( -4.203 -1.698 -7.065) 8.394 ======================= Grid point 192 (69/90) ======================= q-point: ( 0.40 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 202 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.914 ( 7.130 0.039 8.049) 10.753 2.053 ( -7.300 0.752 5.639) 9.255 2.170 ( 3.663 -4.386 0.761) 5.765 2.245 ( -4.325 -1.949 -1.034) 4.855 2.373 ( 1.428 2.883 3.488) 4.746 2.395 ( -0.620 1.017 0.665) 1.364 2.532 ( 2.176 0.280 -2.681) 3.465 2.566 ( -1.241 1.294 -4.323) 4.680 3.128 ( 1.682 24.283 1.009) 24.362 3.172 ( -2.813 24.518 -0.012) 24.679 3.275 ( 0.345 20.432 -1.900) 20.523 3.284 ( -0.524 20.975 -1.530) 21.037 4.732 ( 10.363 -0.080 10.221) 14.555 4.840 ( -1.030 1.307 9.508) 9.653 5.046 ( 7.989 -6.753 -2.033) 10.656 5.170 ( 1.711 9.517 3.504) 10.285 5.221 ( -3.194 -2.984 -4.974) 6.621 5.325 ( -5.434 8.440 -4.727) 11.095 5.630 ( -1.822 7.130 4.920) 8.852 5.677 ( -7.434 8.036 7.025) 13.007 5.972 ( 8.662 8.729 -4.826) 13.210 6.182 ( -11.463 8.763 -7.079) 16.072 6.392 ( 6.314 -4.659 -10.971) 13.488 6.503 ( -6.247 -3.153 -12.324) 14.172 6.785 ( 8.387 14.978 12.997) 21.532 6.921 ( -5.121 12.376 5.892) 14.632 7.432 ( 6.858 -5.771 10.176) 13.561 7.578 ( -7.572 -5.837 4.627) 10.622 8.426 ( 2.785 1.123 -7.354) 7.943 8.462 ( -0.756 0.992 -8.442) 8.534 8.811 ( 0.604 -3.023 -7.919) 8.497 8.847 ( -3.075 -3.389 -9.034) 10.127 9.594 ( 1.557 13.099 2.554) 13.436 9.633 ( -1.687 5.436 1.781) 5.964 9.917 ( 4.950 9.574 -2.435) 11.049 10.069 ( -10.055 4.134 -8.318) 13.689 11.169 ( 1.405 -7.534 0.304) 7.670 11.186 ( -0.437 -8.077 -0.070) 8.089 11.224 ( 5.488 -13.018 0.890) 14.156 11.287 ( -0.038 -12.285 -1.967) 12.442 11.455 ( 5.052 -9.907 0.594) 11.136 11.538 ( -3.210 -8.562 -0.526) 9.160 11.635 ( 7.991 -1.348 -8.750) 11.926 11.699 ( 1.309 -8.842 -4.560) 10.034 11.838 ( -5.769 0.658 -4.657) 7.443 11.866 ( -7.534 -1.001 -6.378) 9.922 12.418 ( 2.533 -10.465 3.092) 11.202 12.453 ( -0.884 -10.120 1.680) 10.297 12.663 ( 0.210 1.728 0.520) 1.817 12.669 ( -0.525 2.209 0.122) 2.274 12.790 ( 1.957 1.415 5.323) 5.845 12.809 ( -0.241 -0.047 5.351) 5.356 12.980 ( 1.591 -2.910 0.944) 3.448 12.993 ( 0.992 -3.886 -2.679) 4.823 13.178 ( -0.082 -3.839 -1.886) 4.279 13.200 ( -2.264 -6.648 -2.218) 7.365 13.330 ( 0.880 -0.065 -1.519) 1.757 13.363 ( -1.920 -0.417 -2.946) 3.541 13.491 ( 1.425 -1.060 2.395) 2.981 13.531 ( -2.792 0.098 1.373) 3.113 14.064 ( 1.600 5.602 2.574) 6.370 14.072 ( 0.163 4.444 1.868) 4.824 14.373 ( 0.043 0.539 3.167) 3.213 14.406 ( -2.490 0.583 1.420) 2.925 14.825 ( 1.381 11.714 4.310) 12.558 14.873 ( -3.522 12.099 3.165) 12.993 15.296 ( 3.117 -0.963 -0.945) 3.397 15.344 ( -1.754 -0.575 -2.719) 3.287 15.733 ( 6.466 -5.640 6.928) 11.028 15.790 ( 2.538 -5.705 5.102) 8.064 15.926 ( -1.409 -7.070 6.481) 9.694 15.949 ( -2.022 -2.295 2.875) 4.198 16.138 ( 1.417 2.494 2.279) 3.664 16.183 ( -0.801 -1.458 2.499) 3.002 16.260 ( -1.607 2.014 -0.790) 2.695 16.313 ( -4.273 0.436 -1.049) 4.421 16.908 ( 7.844 2.881 4.744) 9.609 17.063 ( -8.160 5.351 3.114) 10.243 17.114 ( 9.756 -2.592 -3.686) 10.746 17.284 ( -7.842 -0.406 -6.580) 10.245 24.237 ( 6.295 0.354 2.446) 6.763 24.290 ( 5.972 -0.631 -0.187) 6.008 24.355 ( -5.461 0.123 2.499) 6.006 24.404 ( -5.288 -0.669 0.205) 5.335 25.957 ( 2.486 -1.736 4.815) 5.690 25.993 ( -0.741 -2.059 3.779) 4.367 26.106 ( 1.191 -4.658 4.896) 6.861 26.153 ( -3.143 -5.439 3.478) 7.180 26.521 ( 3.585 5.477 -0.071) 6.547 26.549 ( 1.514 5.219 -1.366) 5.603 26.736 ( -3.463 -1.286 0.872) 3.795 26.767 ( -5.926 -1.310 -0.444) 6.085 27.361 ( 6.474 14.076 -0.008) 15.494 27.422 ( 0.517 14.877 -3.149) 15.216 28.061 ( 1.989 -3.515 -1.853) 4.444 28.136 ( -5.441 -3.322 -5.137) 8.187 ======================= Grid point 195 (70/90) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( 0.000 2.477 8.702) 9.048 1.970 ( 0.000 -6.424 3.989) 7.562 2.329 ( 0.000 3.089 -2.473) 3.957 2.331 ( 0.000 0.947 1.624) 1.880 2.379 ( 0.000 -1.593 0.768) 1.768 2.410 ( 0.000 4.648 0.347) 4.661 2.461 ( 0.000 -2.463 -2.567) 3.558 2.552 ( 0.000 -1.751 -0.160) 1.758 3.532 ( 0.000 16.957 2.557) 17.149 3.613 ( 0.000 12.627 0.833) 12.654 3.675 ( 0.000 16.530 -2.493) 16.717 3.680 ( 0.000 15.490 -1.498) 15.563 4.475 ( 0.000 3.965 8.672) 9.536 4.666 ( 0.000 -5.672 2.242) 6.099 4.963 ( 0.000 5.383 4.257) 6.863 5.219 ( 0.000 -5.341 -3.317) 6.287 5.358 ( 0.000 9.902 -0.324) 9.908 5.540 ( 0.000 8.196 -5.425) 9.829 5.835 ( 0.000 2.218 -5.346) 5.788 5.861 ( 0.000 -6.958 -6.004) 9.190 6.066 ( 0.000 3.265 1.859) 3.757 6.069 ( 0.000 -0.770 7.516) 7.556 6.578 ( 0.000 12.985 -3.561) 13.464 6.730 ( 0.000 7.363 -7.311) 10.376 6.923 ( 0.000 5.037 8.817) 10.154 6.990 ( 0.000 -2.916 0.941) 3.064 7.301 ( 0.000 4.319 10.459) 11.316 7.650 ( 0.000 -2.808 1.680) 3.272 8.364 ( 0.000 1.242 -6.350) 6.470 8.432 ( 0.000 -1.304 -10.082) 10.166 8.798 ( 0.000 -0.084 -7.195) 7.195 8.878 ( 0.000 -3.096 -8.681) 9.216 9.855 ( 0.000 1.868 6.902) 7.150 9.894 ( 0.000 11.824 4.376) 12.608 9.978 ( 0.000 11.864 2.546) 12.134 10.203 ( 0.000 -9.959 -7.951) 12.744 10.893 ( 0.000 -5.638 -1.286) 5.782 10.974 ( 0.000 -9.218 -4.581) 10.293 11.017 ( 0.000 -5.354 -0.645) 5.393 11.047 ( 0.000 -3.713 -1.310) 3.937 11.189 ( 0.000 -3.301 -1.252) 3.531 11.292 ( 0.000 -5.936 -7.140) 9.285 11.556 ( 0.000 2.216 0.798) 2.355 11.658 ( 0.000 0.215 -2.957) 2.965 12.049 ( 0.000 -10.537 -1.958) 10.718 12.054 ( 0.000 -0.729 -7.199) 7.236 12.084 ( 0.000 -4.959 -0.988) 5.056 12.169 ( 0.000 -15.621 -0.239) 15.622 12.665 ( 0.000 -0.806 1.978) 2.136 12.688 ( 0.000 -1.446 2.626) 2.998 12.798 ( 0.000 1.583 2.018) 2.565 12.820 ( 0.000 1.862 0.179) 1.871 12.862 ( 0.000 1.350 -0.501) 1.440 12.915 ( 0.000 0.300 1.557) 1.585 13.074 ( 0.000 -4.709 0.546) 4.741 13.107 ( 0.000 -7.996 -3.204) 8.614 13.366 ( 0.000 -1.070 -1.444) 1.797 13.392 ( 0.000 1.907 -2.565) 3.196 13.464 ( 0.000 2.818 3.994) 4.888 13.624 ( 0.000 -1.187 -2.704) 2.953 14.056 ( 0.000 4.882 5.540) 7.384 14.159 ( 0.000 0.914 0.389) 0.993 14.546 ( 0.000 5.573 1.988) 5.917 14.556 ( 0.000 6.060 0.772) 6.109 14.950 ( 0.000 4.557 4.335) 6.290 15.041 ( 0.000 0.982 0.856) 1.303 15.299 ( 0.000 1.196 3.153) 3.372 15.313 ( 0.000 -1.357 1.373) 1.931 15.526 ( 0.000 -2.557 6.856) 7.317 15.642 ( 0.000 -1.635 1.615) 2.298 15.822 ( 0.000 -4.839 9.642) 10.788 15.995 ( 0.000 -6.963 1.706) 7.169 16.008 ( 0.000 0.953 0.706) 1.186 16.107 ( 0.000 -1.258 -2.552) 2.845 16.460 ( 0.000 4.207 -0.862) 4.294 16.486 ( 0.000 2.166 -2.554) 3.348 16.730 ( 0.000 0.094 6.081) 6.082 16.784 ( 0.000 -3.252 4.001) 5.155 17.356 ( 0.000 4.885 0.079) 4.886 17.450 ( 0.000 0.027 -5.274) 5.275 24.104 ( 0.000 0.682 1.650) 1.786 24.132 ( 0.000 -0.676 0.272) 0.729 24.476 ( 0.000 0.451 1.806) 1.861 24.498 ( 0.000 -0.596 0.840) 1.030 25.881 ( 0.000 -0.279 3.536) 3.547 25.916 ( 0.000 -2.035 1.833) 2.739 26.078 ( 0.000 -1.530 6.127) 6.315 26.121 ( 0.000 -4.034 3.924) 5.628 26.489 ( 0.000 1.477 2.804) 3.169 26.509 ( 0.000 0.203 2.585) 2.593 27.024 ( 0.000 1.276 2.396) 2.715 27.027 ( 0.000 0.470 3.116) 3.151 27.254 ( 0.000 8.615 -4.109) 9.545 27.388 ( 0.000 3.038 -10.520) 10.950 28.127 ( 0.000 4.242 -0.437) 4.265 28.255 ( 0.000 -1.325 -6.424) 6.559 ======================= Grid point 196 (71/90) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 3.920 2.166 8.348) 9.473 1.995 ( 2.730 -6.188 3.826) 7.771 2.226 ( -6.942 2.575 2.489) 7.811 2.313 ( -5.594 -1.627 -0.723) 5.871 2.387 ( 2.239 1.106 -1.144) 2.746 2.424 ( 0.060 3.085 1.245) 3.328 2.471 ( 1.663 -1.554 -1.067) 2.513 2.561 ( 0.224 -2.039 -2.211) 3.016 3.528 ( -0.188 16.771 2.400) 16.943 3.611 ( -0.126 12.664 0.496) 12.675 3.639 ( -2.873 16.011 -1.215) 16.312 3.670 ( -1.336 14.750 -1.925) 14.935 4.568 ( 8.958 3.568 8.216) 12.668 4.741 ( 7.283 -5.017 2.733) 9.256 4.947 ( -1.661 3.852 4.376) 6.062 5.180 ( -4.489 -7.858 -2.218) 9.318 5.373 ( 2.447 13.333 -0.148) 13.556 5.543 ( 0.299 8.803 -5.519) 10.394 5.783 ( -3.381 1.006 -1.570) 3.861 5.865 ( -1.464 -2.559 -5.766) 6.476 6.031 ( 0.764 5.838 4.388) 7.342 6.169 ( 6.224 -3.418 -2.047) 7.390 6.479 ( -7.946 8.620 -4.205) 12.455 6.697 ( -10.212 3.133 -12.486) 16.432 6.911 ( 6.402 6.943 11.317) 14.740 7.062 ( 4.606 2.669 4.314) 6.852 7.309 ( 0.751 3.270 10.746) 11.258 7.600 ( -5.230 -3.661 2.674) 6.921 8.401 ( 3.804 2.279 -6.535) 7.898 8.466 ( 3.165 0.435 -9.536) 10.057 8.782 ( -1.696 -0.886 -7.365) 7.610 8.846 ( -3.284 -3.251 -8.558) 9.726 9.793 ( -3.292 7.368 4.656) 9.317 9.908 ( -4.432 11.707 1.126) 12.569 9.971 ( 3.142 3.934 4.885) 7.015 10.180 ( -2.489 -6.310 -5.771) 8.906 10.929 ( 3.567 -6.510 -1.017) 7.492 11.002 ( 2.400 -8.265 -3.063) 9.135 11.036 ( 2.385 -5.637 -1.832) 6.389 11.062 ( 1.184 -3.474 -1.340) 3.907 11.226 ( 2.967 -3.761 -0.047) 4.791 11.357 ( 6.170 -7.061 -6.956) 11.675 11.522 ( -3.445 0.521 0.043) 3.484 11.627 ( -1.937 0.377 -3.606) 4.110 11.954 ( -6.770 -5.785 -3.517) 9.574 12.004 ( -5.829 -0.854 -6.105) 8.484 12.119 ( 2.342 -10.937 0.658) 11.204 12.184 ( 0.814 -14.377 -0.253) 14.403 12.675 ( 1.037 0.413 2.154) 2.426 12.709 ( 1.888 -0.231 1.774) 2.601 12.810 ( -0.028 3.649 2.317) 4.323 12.824 ( 0.637 2.440 1.904) 3.160 12.872 ( 2.022 -2.253 0.986) 3.184 12.944 ( 1.990 1.108 -1.374) 2.660 13.072 ( 0.258 -6.684 -1.407) 6.835 13.109 ( -0.175 -5.704 -2.907) 6.404 13.349 ( -1.021 0.434 -0.396) 1.178 13.400 ( 0.614 1.354 -3.043) 3.387 13.461 ( -0.214 2.092 3.630) 4.195 13.594 ( -3.195 -0.997 -2.115) 3.959 14.088 ( 3.234 4.066 4.620) 6.952 14.157 ( 0.148 2.102 1.235) 2.443 14.482 ( -6.439 3.078 2.245) 7.482 14.504 ( -4.685 2.901 1.252) 5.651 14.974 ( 2.674 6.857 4.598) 8.678 15.081 ( 2.776 4.165 0.647) 5.047 15.265 ( -1.596 1.767 3.495) 4.229 15.347 ( 1.462 -1.143 -1.580) 2.437 15.537 ( 1.935 -3.775 6.878) 8.081 15.643 ( 0.420 -4.463 2.764) 5.266 15.808 ( -1.645 -4.922 7.936) 9.482 15.948 ( -5.205 -7.606 -0.134) 9.218 16.059 ( 5.737 1.453 2.796) 6.546 16.126 ( 2.254 -0.327 -0.641) 2.366 16.432 ( -3.512 3.672 1.347) 5.257 16.444 ( -4.058 2.682 0.284) 4.873 16.799 ( 7.016 1.208 3.665) 8.007 16.872 ( 8.697 -2.859 0.885) 9.198 17.302 ( -5.593 4.841 0.261) 7.402 17.404 ( -4.953 -0.395 -5.037) 7.075 24.145 ( 4.199 0.686 1.721) 4.589 24.174 ( 4.303 -0.727 0.288) 4.374 24.445 ( -3.171 0.483 1.846) 3.701 24.470 ( -3.008 -0.651 0.766) 3.172 25.898 ( 1.702 -0.229 3.860) 4.225 25.933 ( 1.776 -1.928 2.163) 3.398 26.062 ( -1.603 -1.596 6.135) 6.539 26.106 ( -1.652 -3.930 4.039) 5.872 26.513 ( 2.700 1.450 2.158) 3.748 26.531 ( 2.461 0.221 1.760) 3.034 26.894 ( -9.360 1.625 0.469) 9.511 26.918 ( -9.070 0.223 0.356) 9.079 27.402 ( 11.480 8.637 -1.807) 14.480 27.512 ( 10.243 4.649 -7.605) 13.578 28.082 ( -4.519 2.916 -0.521) 5.403 28.202 ( -5.513 -1.824 -6.129) 8.443 ======================= Grid point 197 (72/90) ======================= q-point: ( 0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 200 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 7.169 1.787 7.132) 10.269 2.072 ( 4.763 -4.688 2.427) 7.110 2.080 ( -7.654 1.565 5.720) 9.683 2.191 ( -6.920 -3.280 1.246) 7.759 2.417 ( 0.996 1.566 -1.109) 2.162 2.426 ( 0.042 2.869 0.757) 2.968 2.508 ( 2.179 -2.157 -1.701) 3.506 2.547 ( -1.683 -2.422 -2.820) 4.080 3.537 ( 1.295 16.346 1.722) 16.488 3.577 ( -2.903 15.948 0.506) 16.218 3.619 ( 0.671 12.757 -0.681) 12.792 3.641 ( -1.516 13.407 -1.461) 13.571 4.754 ( 9.295 2.296 7.330) 12.058 4.868 ( -0.127 1.182 7.437) 7.532 4.925 ( 4.463 -4.469 0.570) 6.341 5.064 ( -7.425 -6.918 0.602) 10.167 5.454 ( 5.583 13.740 -2.149) 14.985 5.535 ( -2.028 11.259 -5.080) 12.517 5.743 ( -0.226 3.030 1.131) 3.242 5.793 ( -4.998 2.174 1.510) 5.656 6.120 ( 8.817 6.250 -2.760) 11.154 6.287 ( 5.648 -3.918 -7.506) 10.178 6.318 ( -8.885 3.990 -6.983) 11.984 6.454 ( -12.254 -1.796 -10.392) 16.168 7.066 ( 7.296 12.278 9.995) 17.433 7.125 ( 1.056 7.586 6.879) 10.295 7.342 ( 3.884 -2.535 8.977) 10.104 7.467 ( -8.221 -5.489 4.758) 10.971 8.487 ( 4.407 4.814 -6.984) 9.559 8.520 ( 1.445 4.590 -8.144) 9.459 8.747 ( -1.129 -3.658 -7.875) 8.757 8.773 ( -3.641 -4.145 -8.272) 9.943 9.764 ( 0.507 8.622 2.176) 8.906 9.812 ( -4.445 9.550 0.748) 10.560 10.041 ( 3.984 1.462 2.105) 4.737 10.117 ( -3.957 -1.503 -1.843) 4.617 11.008 ( 4.087 -7.098 -0.359) 8.199 11.043 ( 1.301 -5.522 -1.090) 5.777 11.070 ( 0.528 -4.731 -1.458) 4.979 11.088 ( 0.663 -6.957 -2.983) 7.599 11.279 ( 3.780 -3.811 1.700) 5.630 11.386 ( -6.086 -4.541 -1.269) 7.699 11.532 ( 7.273 -6.665 -5.017) 11.067 11.624 ( -0.357 -3.881 -6.540) 7.613 11.835 ( -3.693 -0.048 -3.939) 5.399 11.881 ( -6.416 2.160 -5.841) 8.941 12.159 ( 1.913 -14.169 1.466) 14.372 12.186 ( -0.725 -15.094 0.923) 15.139 12.702 ( 1.703 2.607 1.968) 3.684 12.728 ( -0.590 3.414 0.938) 3.589 12.811 ( 1.348 0.175 4.326) 4.535 12.836 ( -0.560 1.222 3.165) 3.439 12.918 ( 2.889 -0.908 0.158) 3.032 12.960 ( -0.811 0.165 -2.753) 2.875 13.086 ( 0.792 -5.623 -3.669) 6.761 13.098 ( -0.705 -4.327 -3.008) 5.317 13.356 ( 2.057 2.227 -0.579) 3.087 13.401 ( -1.438 3.402 -3.116) 4.832 13.466 ( 1.490 -1.597 2.873) 3.609 13.521 ( -3.946 -1.302 0.183) 4.159 14.156 ( 3.166 4.426 3.061) 6.243 14.177 ( 1.509 5.155 2.013) 5.736 14.367 ( -3.684 -1.265 3.156) 5.013 14.400 ( -5.534 -1.450 1.281) 5.863 15.036 ( 3.489 9.688 4.720) 11.328 15.091 ( -1.904 10.008 3.476) 10.764 15.275 ( 2.805 -1.218 -0.441) 3.089 15.335 ( -2.634 -0.817 -3.121) 4.165 15.614 ( 5.444 -5.119 6.442) 9.866 15.667 ( 1.323 -6.250 6.060) 8.806 15.765 ( -1.543 -7.258 3.374) 8.152 15.830 ( -6.634 -8.222 0.735) 10.590 16.189 ( 7.218 2.206 2.940) 8.100 16.199 ( 5.209 2.774 2.161) 6.284 16.334 ( -5.915 3.103 2.498) 7.131 16.346 ( -6.263 1.870 2.436) 6.976 16.967 ( 10.259 3.212 1.799) 10.900 17.068 ( 10.963 -1.994 -2.133) 11.345 17.160 ( -8.999 4.278 0.473) 9.976 17.269 ( -9.247 -1.292 -4.301) 10.280 24.247 ( 6.222 0.670 1.839) 6.523 24.277 ( 6.178 -0.760 0.378) 6.236 24.362 ( -5.557 0.539 1.904) 5.899 24.390 ( -5.412 -0.767 0.590) 5.498 25.940 ( 2.601 -0.033 4.535) 5.228 25.968 ( 0.865 -0.662 3.458) 3.625 26.031 ( -0.670 -2.910 5.287) 6.072 26.063 ( -2.761 -3.795 4.065) 6.209 26.590 ( 5.337 1.763 0.764) 5.672 26.604 ( 5.144 0.840 0.049) 5.212 26.731 ( -7.555 0.506 0.251) 7.576 26.750 ( -8.194 -0.465 -0.352) 8.215 27.612 ( 9.696 11.217 -1.360) 14.889 27.679 ( 4.720 10.633 -4.620) 12.517 27.996 ( -2.257 -2.907 -1.925) 4.153 28.068 ( -7.764 -3.822 -5.207) 10.099 ======================= Grid point 200 (73/90) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.859 ( 0.000 -4.806 6.316) 7.937 1.859 ( 0.000 4.806 6.316) 7.937 2.345 ( 0.000 -0.887 -0.763) 1.170 2.345 ( 0.000 0.887 -0.763) 1.170 2.400 ( 0.000 -3.374 -0.726) 3.451 2.400 ( 0.000 3.374 -0.726) 3.451 2.499 ( 0.000 -3.815 -0.155) 3.818 2.499 ( 0.000 3.815 -0.155) 3.818 3.719 ( 0.000 -2.010 2.514) 3.218 3.719 ( 0.000 2.010 2.514) 3.218 3.838 ( 0.000 -0.069 -2.018) 2.019 3.838 ( 0.000 0.069 -2.018) 2.019 4.562 ( 0.000 -4.915 5.289) 7.220 4.562 ( 0.000 4.915 5.289) 7.220 5.081 ( 0.000 -6.812 1.102) 6.900 5.081 ( 0.000 6.812 1.102) 6.900 5.574 ( 0.000 -8.092 -3.070) 8.655 5.574 ( 0.000 8.092 -3.070) 8.655 5.788 ( 0.000 -3.070 -6.114) 6.842 5.788 ( 0.000 3.070 -6.114) 6.842 6.091 ( 0.000 -0.805 4.535) 4.606 6.091 ( 0.000 0.805 4.535) 4.606 6.814 ( 0.000 -9.223 -7.658) 11.988 6.814 ( 0.000 9.223 -7.658) 11.988 6.885 ( 0.000 -5.546 1.578) 5.766 6.885 ( 0.000 5.546 1.578) 5.766 7.517 ( 0.000 -11.699 12.002) 16.761 7.517 ( 0.000 11.699 12.002) 16.761 8.397 ( 0.000 -2.046 -7.774) 8.039 8.397 ( 0.000 2.046 -7.774) 8.039 8.824 ( 0.000 -2.399 -8.748) 9.071 8.824 ( 0.000 2.399 -8.748) 9.071 9.939 ( 0.000 -7.013 2.340) 7.393 9.939 ( 0.000 7.013 2.340) 7.393 10.096 ( 0.000 -0.148 1.921) 1.926 10.096 ( 0.000 0.148 1.921) 1.926 10.858 ( 0.000 -2.272 -3.443) 4.125 10.858 ( 0.000 2.272 -3.443) 4.125 10.991 ( 0.000 -1.702 -1.122) 2.039 10.991 ( 0.000 1.702 -1.122) 2.039 11.204 ( 0.000 -3.170 -5.525) 6.370 11.204 ( 0.000 3.170 -5.525) 6.370 11.668 ( 0.000 -6.101 3.377) 6.973 11.668 ( 0.000 6.101 3.377) 6.973 11.858 ( 0.000 -5.570 -2.922) 6.290 11.858 ( 0.000 5.570 -2.922) 6.290 12.093 ( 0.000 -0.316 -5.728) 5.737 12.093 ( 0.000 0.316 -5.728) 5.737 12.660 ( 0.000 -0.707 2.644) 2.737 12.660 ( 0.000 0.707 2.644) 2.737 12.822 ( 0.000 -0.721 0.168) 0.740 12.822 ( 0.000 0.721 0.168) 0.740 12.923 ( 0.000 -2.050 -1.429) 2.499 12.923 ( 0.000 2.050 -1.429) 2.499 13.013 ( 0.000 -0.158 0.991) 1.004 13.013 ( 0.000 0.158 0.991) 1.004 13.378 ( 0.000 -1.700 0.170) 1.708 13.378 ( 0.000 1.700 0.170) 1.708 13.562 ( 0.000 -5.075 -2.419) 5.622 13.562 ( 0.000 5.075 -2.419) 5.622 14.135 ( 0.000 -3.006 3.601) 4.690 14.135 ( 0.000 3.006 3.601) 4.690 14.611 ( 0.000 -0.517 1.310) 1.408 14.611 ( 0.000 0.517 1.310) 1.408 15.020 ( 0.000 -2.720 3.538) 4.463 15.020 ( 0.000 2.720 3.538) 4.463 15.302 ( 0.000 -0.403 -0.972) 1.052 15.302 ( 0.000 0.403 -0.972) 1.052 15.553 ( 0.000 -4.952 8.950) 10.229 15.553 ( 0.000 4.952 8.950) 10.229 15.845 ( 0.000 -5.618 2.526) 6.159 15.845 ( 0.000 5.618 2.526) 6.159 16.070 ( 0.000 -2.692 -0.490) 2.736 16.070 ( 0.000 2.692 -0.490) 2.736 16.505 ( 0.000 -0.519 -1.606) 1.688 16.505 ( 0.000 0.519 -1.606) 1.688 16.744 ( 0.000 -1.276 4.796) 4.963 16.744 ( 0.000 1.276 4.796) 4.963 17.428 ( 0.000 -2.443 -2.258) 3.326 17.428 ( 0.000 2.443 -2.258) 3.326 24.118 ( 0.000 -0.729 0.955) 1.202 24.118 ( 0.000 0.729 0.955) 1.202 24.486 ( 0.000 -0.627 1.245) 1.394 24.486 ( 0.000 0.627 1.245) 1.394 25.888 ( 0.000 -0.906 2.805) 2.948 25.888 ( 0.000 0.906 2.805) 2.948 26.072 ( 0.000 -1.069 4.895) 5.011 26.072 ( 0.000 1.069 4.895) 5.011 26.506 ( 0.000 -0.478 2.906) 2.945 26.506 ( 0.000 0.478 2.906) 2.945 27.032 ( 0.000 -0.085 3.468) 3.469 27.032 ( 0.000 0.085 3.468) 3.469 27.379 ( 0.000 -3.801 -8.103) 8.951 27.379 ( 0.000 3.801 -8.103) 8.951 28.209 ( 0.000 -3.604 -3.589) 5.086 28.209 ( 0.000 3.604 -3.589) 5.086 ======================= Grid point 202 (74/90) ======================= q-point: ( 0.20 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 3.355 -4.489 6.209) 8.364 1.890 ( 3.355 4.489 6.209) 8.364 2.274 ( -6.583 -2.313 0.728) 7.015 2.274 ( -6.583 2.313 0.728) 7.015 2.417 ( 1.530 -2.045 -0.148) 2.558 2.417 ( 1.530 2.045 -0.148) 2.558 2.507 ( 0.190 -3.370 -1.633) 3.749 2.507 ( 0.190 3.370 -1.633) 3.749 3.716 ( -0.183 -2.182 2.142) 3.063 3.716 ( -0.183 2.182 2.142) 3.063 3.807 ( -2.739 -0.932 -1.429) 3.227 3.807 ( -2.739 0.932 -1.429) 3.227 4.648 ( 8.136 -4.500 4.996) 10.555 4.648 ( 8.136 4.500 4.996) 10.555 5.044 ( -3.722 -6.051 2.077) 7.402 5.044 ( -3.722 6.051 2.077) 7.402 5.596 ( 2.453 -7.144 -2.816) 8.061 5.596 ( 2.453 7.144 -2.816) 8.061 5.784 ( -0.705 -3.848 -5.733) 6.940 5.784 ( -0.705 3.848 -5.733) 6.940 6.118 ( 2.984 -2.961 1.313) 4.404 6.118 ( 2.984 2.961 1.313) 4.404 6.646 ( -12.338 -7.526 -5.081) 15.320 6.646 ( -12.338 7.526 -5.081) 15.320 7.017 ( 8.967 -5.652 0.629) 10.618 7.017 ( 8.967 5.652 0.629) 10.618 7.479 ( -4.097 -9.590 11.151) 15.267 7.479 ( -4.097 9.590 11.151) 15.267 8.450 ( 5.332 -2.179 -7.581) 9.521 8.450 ( 5.332 2.179 -7.581) 9.521 8.793 ( -3.308 -1.966 -8.373) 9.215 8.793 ( -3.308 1.966 -8.373) 9.215 9.937 ( -0.059 -6.857 2.581) 7.327 9.937 ( -0.059 6.857 2.581) 7.327 10.063 ( -3.213 -4.818 1.768) 6.055 10.063 ( -3.213 4.818 1.768) 6.055 10.888 ( 3.025 -2.292 -3.340) 5.056 10.888 ( 3.025 2.292 -3.340) 5.056 11.012 ( 1.642 -1.619 -1.469) 2.733 11.012 ( 1.642 1.619 -1.469) 2.733 11.249 ( 4.358 -4.187 -4.747) 7.685 11.249 ( 4.358 4.187 -4.747) 7.685 11.611 ( -5.671 -6.726 2.220) 9.073 11.611 ( -5.671 6.726 2.220) 9.073 11.853 ( 0.171 -6.108 -2.417) 6.571 11.853 ( 0.171 6.108 -2.417) 6.571 12.067 ( -2.837 -1.381 -5.105) 6.001 12.067 ( -2.837 1.381 -5.105) 6.001 12.690 ( 2.883 -1.160 2.538) 4.012 12.690 ( 2.883 1.160 2.538) 4.012 12.848 ( 1.074 -0.718 0.845) 1.543 12.848 ( 1.074 0.718 0.845) 1.543 12.910 ( 0.311 -5.402 -0.751) 5.463 12.910 ( 0.311 5.402 -0.751) 5.463 13.026 ( 0.797 -2.930 -1.244) 3.282 13.026 ( 0.797 2.930 -1.244) 3.282 13.378 ( 0.272 -2.164 0.714) 2.295 13.378 ( 0.272 2.164 0.714) 2.295 13.543 ( -2.152 -4.181 -2.200) 5.191 13.543 ( -2.152 4.181 -2.200) 5.191 14.152 ( 2.089 -2.231 3.592) 4.716 14.152 ( 2.089 2.231 3.592) 4.716 14.523 ( -8.030 -0.900 1.380) 8.198 14.523 ( -8.030 0.900 1.380) 8.198 15.080 ( 5.225 -3.631 3.240) 7.140 15.080 ( 5.225 3.631 3.240) 7.140 15.314 ( 0.371 -2.405 -0.419) 2.470 15.314 ( 0.371 2.405 -0.419) 2.470 15.538 ( -0.382 -4.219 7.373) 8.503 15.538 ( -0.382 4.219 7.373) 8.503 15.813 ( -3.811 -4.632 1.784) 6.258 15.813 ( -3.811 4.632 1.784) 6.258 16.105 ( 4.234 -1.989 1.196) 4.829 16.105 ( 4.234 1.989 1.196) 4.829 16.470 ( -3.874 -0.239 1.350) 4.110 16.470 ( -3.874 0.239 1.350) 4.110 16.829 ( 8.531 -1.823 1.755) 8.899 16.829 ( 8.531 1.823 1.755) 8.899 17.375 ( -5.518 -2.633 -2.126) 6.473 17.375 ( -5.518 2.633 -2.126) 6.473 24.160 ( 4.230 -0.765 1.002) 4.414 24.160 ( 4.230 0.765 1.002) 4.414 24.457 ( -3.102 -0.670 1.238) 3.407 24.457 ( -3.102 0.670 1.238) 3.407 25.906 ( 1.850 -0.972 3.156) 3.785 25.906 ( 1.850 0.972 3.156) 3.785 26.057 ( -1.651 -1.129 4.968) 5.355 26.057 ( -1.651 1.129 4.968) 5.355 26.529 ( 2.571 -0.385 2.183) 3.395 26.529 ( 2.571 0.385 2.183) 3.395 26.914 ( -9.383 -0.589 0.834) 9.438 26.914 ( -9.383 0.589 0.834) 9.438 27.522 ( 12.076 -3.291 -5.273) 13.582 27.522 ( 12.076 3.291 -5.273) 13.582 28.151 ( -6.095 -3.500 -3.492) 7.848 28.151 ( -6.095 3.500 -3.492) 7.848 ======================= Grid point 204 (75/90) ======================= q-point: ( 0.40 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 6.705 -3.735 5.434) 9.404 1.985 ( 6.705 3.735 5.434) 9.404 2.129 ( -8.293 -2.964 3.485) 9.472 2.129 ( -8.293 2.964 3.485) 9.472 2.454 ( 2.286 -1.804 -0.976) 3.071 2.454 ( 2.286 1.804 -0.976) 3.071 2.493 ( -1.662 -2.577 -1.994) 3.658 2.493 ( -1.662 2.577 -1.994) 3.658 3.722 ( 0.986 -2.269 1.089) 2.703 3.722 ( 0.986 2.269 1.089) 2.703 3.755 ( -2.496 -1.784 -0.238) 3.077 3.755 ( -2.496 1.784 -0.238) 3.077 4.815 ( 8.694 -3.933 4.476) 10.540 4.815 ( 8.694 3.933 4.476) 10.540 4.952 ( -5.996 -4.522 3.556) 8.309 4.952 ( -5.996 4.522 3.556) 8.309 5.666 ( 4.768 -4.995 -2.652) 7.397 5.666 ( 4.768 4.995 -2.652) 7.397 5.749 ( -3.348 -3.862 -4.020) 6.503 5.749 ( -3.348 3.862 -4.020) 6.503 6.212 ( 7.410 -3.627 -4.034) 9.183 6.212 ( 7.410 3.627 -4.034) 9.183 6.402 ( -12.608 -3.955 -5.715) 14.396 6.402 ( -12.608 3.955 -5.715) 14.396 7.196 ( 9.812 -1.088 4.696) 10.932 7.196 ( 9.812 1.088 4.696) 10.932 7.365 ( -7.883 -4.716 8.585) 12.573 7.365 ( -7.883 4.716 8.585) 12.573 8.574 ( 7.304 -1.913 -7.343) 10.532 8.574 ( 7.304 1.913 -7.343) 10.532 8.703 ( -6.123 -1.493 -7.649) 9.911 8.703 ( -6.123 1.493 -7.649) 9.911 9.948 ( 1.557 -7.837 2.535) 8.382 9.948 ( 1.557 7.837 2.535) 8.382 9.996 ( -3.398 -7.835 1.955) 8.761 9.996 ( -3.398 7.835 1.955) 8.761 10.961 ( 4.258 -2.014 -3.094) 5.635 10.961 ( 4.258 2.014 -3.094) 5.635 11.020 ( -1.440 -1.405 -2.474) 3.189 11.020 ( -1.440 1.405 -2.474) 3.189 11.349 ( 6.233 -6.969 -2.274) 9.622 11.349 ( 6.233 6.969 -2.274) 9.622 11.481 ( -7.598 -7.829 0.185) 10.912 11.481 ( -7.598 7.829 0.185) 10.912 11.893 ( 4.250 -4.985 -2.659) 7.070 11.893 ( 4.250 4.985 -2.659) 7.070 11.989 ( -5.235 -2.865 -3.892) 7.125 11.989 ( -5.235 2.865 -3.892) 7.125 12.754 ( 3.605 -2.002 2.629) 4.890 12.754 ( 3.605 2.002 2.629) 4.890 12.817 ( -3.065 -2.056 2.385) 4.394 12.817 ( -3.065 2.056 2.385) 4.394 12.966 ( 3.883 -3.958 -2.084) 5.924 12.966 ( 3.883 3.958 -2.084) 5.924 13.021 ( -1.662 -2.884 -2.906) 4.419 13.021 ( -1.662 2.884 -2.906) 4.419 13.406 ( 3.069 -2.593 0.797) 4.096 13.406 ( 3.069 2.593 0.797) 4.096 13.481 ( -4.211 -2.716 -0.845) 5.082 13.481 ( -4.211 2.716 -0.845) 5.082 14.223 ( 5.691 -1.430 2.870) 6.532 14.223 ( 5.691 1.430 2.870) 6.532 14.360 ( -8.571 -1.672 1.806) 8.917 14.360 ( -8.571 1.672 1.806) 8.917 15.184 ( 5.552 -4.419 2.712) 7.596 15.184 ( 5.552 4.419 2.712) 7.597 15.278 ( -4.107 -4.655 1.765) 6.454 15.278 ( -4.107 4.655 1.765) 6.454 15.586 ( 5.435 -2.027 3.555) 6.803 15.586 ( 5.435 2.027 3.555) 6.803 15.708 ( -6.812 -2.617 1.802) 7.516 15.708 ( -6.812 2.617 1.802) 7.516 16.222 ( 7.620 -0.554 2.996) 8.207 16.222 ( 7.620 0.554 2.996) 8.207 16.365 ( -7.077 -0.204 3.270) 7.799 16.365 ( -7.077 0.204 3.270) 7.799 17.025 ( 11.476 -2.635 -0.709) 11.796 17.025 ( 11.476 2.635 -0.709) 11.796 17.229 ( -9.798 -2.874 -1.690) 10.350 17.229 ( -9.798 2.874 -1.690) 10.350 24.262 ( 6.215 -0.802 1.109) 6.364 24.262 ( 6.215 0.802 1.109) 6.364 24.375 ( -5.519 -0.758 1.200) 5.699 24.375 ( -5.519 0.758 1.200) 5.699 25.953 ( 3.064 -1.108 4.000) 5.159 25.953 ( 3.064 1.108 4.000) 5.159 26.012 ( -3.000 -1.182 4.766) 5.754 26.012 ( -3.000 1.182 4.766) 5.754 26.606 ( 5.777 -0.300 0.763) 5.835 26.606 ( 5.777 0.300 0.763) 5.835 26.742 ( -8.546 -0.502 -0.041) 8.561 26.742 ( -8.546 0.502 -0.041) 8.561 27.764 ( 13.062 -3.167 -3.735) 13.950 27.764 ( 13.062 3.167 -3.735) 13.950 27.991 ( -10.748 -3.293 -3.387) 11.741 27.991 ( -10.748 3.293 -3.387) 11.741 ======================= Grid point 225 (76/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( 0.000 0.000 -5.094) 5.094 2.028 ( 0.000 0.000 5.094) 5.094 2.055 ( 0.000 0.000 -15.535) 15.535 2.055 ( 0.000 0.000 15.535) 15.535 2.315 ( 0.000 0.000 -6.111) 6.111 2.315 ( 0.000 0.000 6.111) 6.111 2.357 ( 0.000 0.000 -0.247) 0.247 2.357 ( 0.000 0.000 0.247) 0.247 2.552 ( 0.000 0.000 -0.541) 0.541 2.552 ( 0.000 0.000 0.541) 0.541 2.886 ( 0.000 0.000 -0.878) 0.878 2.886 ( 0.000 0.000 0.878) 0.878 4.729 ( 0.000 0.000 -15.587) 15.587 4.729 ( 0.000 0.000 15.587) 15.587 4.871 ( 0.000 0.000 -0.985) 0.985 4.871 ( 0.000 0.000 0.985) 0.985 5.160 ( 0.000 0.000 -10.340) 10.340 5.160 ( 0.000 0.000 10.340) 10.340 5.756 ( 0.000 0.000 -2.048) 2.048 5.756 ( 0.000 0.000 2.048) 2.048 5.990 ( 0.000 0.000 -4.482) 4.482 5.990 ( 0.000 0.000 4.482) 4.482 6.471 ( 0.000 0.000 -12.365) 12.365 6.471 ( 0.000 0.000 12.365) 12.365 6.524 ( 0.000 0.000 -11.279) 11.279 6.524 ( 0.000 0.000 11.279) 11.279 7.896 ( 0.000 0.000 -13.250) 13.250 7.896 ( 0.000 0.000 13.250) 13.250 8.305 ( 0.000 0.000 -2.921) 2.921 8.305 ( 0.000 0.000 2.921) 2.921 8.859 ( 0.000 0.000 -3.475) 3.475 8.859 ( 0.000 0.000 3.475) 3.475 9.069 ( 0.000 0.000 -6.138) 6.138 9.069 ( 0.000 0.000 6.138) 6.138 10.196 ( 0.000 0.000 -7.030) 7.030 10.196 ( 0.000 0.000 7.030) 7.030 11.347 ( 0.000 0.000 -1.861) 1.861 11.347 ( 0.000 0.000 1.861) 1.861 11.384 ( 0.000 0.000 -4.559) 4.559 11.384 ( 0.000 0.000 4.559) 4.559 11.472 ( 0.000 0.000 -1.814) 1.814 11.472 ( 0.000 0.000 1.814) 1.814 11.891 ( 0.000 0.000 -0.616) 0.616 11.891 ( 0.000 0.000 0.616) 0.616 11.935 ( 0.000 0.000 -1.265) 1.265 11.935 ( 0.000 0.000 1.265) 1.265 12.425 ( 0.000 0.000 -0.848) 0.848 12.425 ( 0.000 0.000 0.848) 0.848 12.646 ( 0.000 0.000 -0.845) 0.845 12.646 ( 0.000 0.000 0.845) 0.845 12.842 ( 0.000 0.000 -3.381) 3.381 12.842 ( 0.000 0.000 3.381) 3.381 13.055 ( 0.000 0.000 -0.616) 0.616 13.055 ( 0.000 0.000 0.616) 0.616 13.449 ( 0.000 0.000 -2.292) 2.292 13.449 ( 0.000 0.000 2.292) 2.292 13.532 ( 0.000 0.000 -1.757) 1.757 13.532 ( 0.000 0.000 1.757) 1.757 13.563 ( 0.000 0.000 -2.051) 2.051 13.563 ( 0.000 0.000 2.051) 2.051 13.789 ( 0.000 0.000 -4.007) 4.007 13.789 ( 0.000 0.000 4.007) 4.007 14.429 ( 0.000 0.000 -0.899) 0.899 14.429 ( 0.000 0.000 0.899) 0.899 14.674 ( 0.000 0.000 -3.744) 3.744 14.674 ( 0.000 0.000 3.744) 3.744 15.253 ( 0.000 0.000 -1.404) 1.404 15.253 ( 0.000 0.000 1.404) 1.404 15.670 ( 0.000 0.000 -1.972) 1.972 15.670 ( 0.000 0.000 1.972) 1.972 16.039 ( 0.000 0.000 -6.902) 6.902 16.039 ( 0.000 0.000 6.902) 6.902 16.156 ( 0.000 0.000 -9.345) 9.345 16.156 ( 0.000 0.000 9.345) 9.345 16.505 ( 0.000 0.000 -2.566) 2.566 16.505 ( 0.000 0.000 2.566) 2.566 16.995 ( 0.000 0.000 -7.188) 7.188 16.995 ( 0.000 0.000 7.188) 7.188 17.165 ( 0.000 0.000 -8.009) 8.009 17.165 ( 0.000 0.000 8.009) 8.009 24.131 ( 0.000 0.000 -1.870) 1.870 24.131 ( 0.000 0.000 1.870) 1.870 24.518 ( 0.000 0.000 -1.193) 1.193 24.518 ( 0.000 0.000 1.193) 1.193 26.054 ( 0.000 0.000 -3.015) 3.015 26.054 ( 0.000 0.000 3.015) 3.015 26.288 ( 0.000 0.000 -0.530) 0.530 26.288 ( 0.000 0.000 0.530) 0.530 26.449 ( 0.000 0.000 -5.402) 5.402 26.449 ( 0.000 0.000 5.402) 5.402 26.790 ( 0.000 0.000 -1.008) 1.008 26.790 ( 0.000 0.000 1.008) 1.008 26.966 ( 0.000 0.000 -3.352) 3.352 26.966 ( 0.000 0.000 3.352) 3.352 28.177 ( 0.000 0.000 -6.211) 6.211 28.177 ( 0.000 0.000 6.211) 6.211 ======================= Grid point 227 (77/90) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 2.811 0.000 -4.495) 5.302 2.056 ( 2.811 0.000 4.495) 5.302 2.074 ( 1.745 0.000 -13.184) 13.299 2.074 ( 1.745 0.000 13.184) 13.299 2.323 ( 0.131 0.000 -6.022) 6.023 2.323 ( 0.131 0.000 6.022) 6.023 2.340 ( -1.735 0.000 -0.875) 1.943 2.340 ( -1.735 0.000 0.875) 1.943 2.543 ( -0.361 0.000 -0.518) 0.632 2.543 ( -0.361 0.000 0.518) 0.632 2.890 ( 0.286 0.000 -0.729) 0.783 2.890 ( 0.286 0.000 0.729) 0.783 4.842 ( 11.665 0.000 -14.771) 18.822 4.842 ( 11.665 0.000 14.771) 18.822 4.868 ( -0.227 0.000 -2.237) 2.248 4.868 ( -0.227 0.000 2.237) 2.248 5.178 ( 1.663 0.000 -9.218) 9.367 5.178 ( 1.663 0.000 9.218) 9.367 5.739 ( -1.613 0.000 -5.880) 6.097 5.739 ( -1.613 0.000 5.880) 6.097 5.879 ( -11.621 0.000 -7.810) 14.002 5.879 ( -11.621 0.000 7.810) 14.002 6.467 ( -0.402 0.000 -10.416) 10.423 6.467 ( -0.402 0.000 10.416) 10.423 6.539 ( 1.568 0.000 -9.176) 9.309 6.539 ( 1.568 0.000 9.176) 9.309 7.844 ( -4.726 0.000 -11.220) 12.175 7.844 ( -4.726 0.000 11.220) 12.175 8.328 ( 2.049 0.000 -3.063) 3.685 8.328 ( 2.049 0.000 3.063) 3.685 8.850 ( -0.934 0.000 -2.889) 3.036 8.850 ( -0.934 0.000 2.889) 3.036 9.156 ( 9.110 0.000 -8.892) 12.730 9.156 ( 9.110 0.000 8.892) 12.730 10.048 ( -14.285 0.000 -10.092) 17.490 10.048 ( -14.285 0.000 10.092) 17.490 11.384 ( -0.094 0.000 -2.263) 2.265 11.384 ( -0.094 0.000 2.263) 2.265 11.396 ( 5.011 0.000 -1.644) 5.274 11.396 ( 5.011 0.000 1.644) 5.274 11.529 ( 4.875 0.000 -2.701) 5.573 11.529 ( 4.875 0.000 2.701) 5.573 11.828 ( -6.237 0.000 -1.982) 6.545 11.828 ( -6.237 0.000 1.982) 6.545 11.963 ( 2.952 0.000 -2.449) 3.836 11.963 ( 2.952 0.000 2.449) 3.836 12.481 ( 5.313 0.000 -2.287) 5.785 12.481 ( 5.313 0.000 2.287) 5.785 12.633 ( -1.331 0.000 -0.786) 1.545 12.633 ( -1.331 0.000 0.786) 1.545 12.836 ( -0.434 0.000 -3.276) 3.305 12.836 ( -0.434 0.000 3.276) 3.305 13.054 ( -0.255 0.000 -1.004) 1.036 13.054 ( -0.255 0.000 1.004) 1.036 13.439 ( -0.869 0.000 -1.991) 2.172 13.439 ( -0.869 0.000 1.991) 2.172 13.469 ( -5.827 0.000 -3.610) 6.855 13.469 ( -5.827 0.000 3.610) 6.855 13.539 ( 0.621 0.000 -1.521) 1.643 13.539 ( 0.621 0.000 1.521) 1.643 13.889 ( 5.952 0.000 -3.675) 6.996 13.889 ( 5.952 0.000 3.675) 6.996 14.425 ( -0.361 0.000 -0.747) 0.830 14.425 ( -0.361 0.000 0.747) 0.830 14.610 ( -5.229 0.000 -2.701) 5.885 14.610 ( -5.229 0.000 2.701) 5.885 15.275 ( 2.327 0.000 -3.635) 4.316 15.275 ( 2.327 0.000 3.635) 4.316 15.749 ( 7.182 0.000 -2.121) 7.488 15.749 ( 7.182 0.000 2.121) 7.488 16.054 ( 1.419 0.000 -5.795) 5.966 16.054 ( 1.419 0.000 5.795) 5.966 16.109 ( -4.664 0.000 -8.019) 9.276 16.109 ( -4.664 0.000 8.019) 9.276 16.492 ( -1.200 0.000 -2.296) 2.590 16.492 ( -1.200 0.000 2.296) 2.590 16.962 ( -3.006 0.000 -5.539) 6.302 16.962 ( -3.006 0.000 5.539) 6.302 17.178 ( 0.966 0.000 -6.567) 6.638 17.178 ( 0.966 0.000 6.567) 6.638 24.175 ( 4.456 0.000 -1.928) 4.855 24.175 ( 4.456 0.000 1.928) 4.855 24.488 ( -3.198 0.000 -1.336) 3.466 24.488 ( -3.198 0.000 1.336) 3.466 26.076 ( 2.276 0.000 -3.071) 3.822 26.076 ( 2.276 0.000 3.071) 3.822 26.288 ( 0.015 0.000 -0.429) 0.429 26.288 ( 0.015 0.000 0.429) 0.429 26.410 ( -3.727 0.000 -5.173) 6.376 26.410 ( -3.727 0.000 5.173) 6.376 26.790 ( -0.009 0.000 -0.816) 0.816 26.790 ( -0.009 0.000 0.816) 0.816 26.982 ( 1.404 0.000 -3.074) 3.379 26.982 ( 1.404 0.000 3.074) 3.379 28.170 ( -0.704 0.000 -5.078) 5.126 28.170 ( -0.704 0.000 5.078) 5.126 ======================= Grid point 229 (78/90) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 1.315 0.000 -5.816) 5.962 2.107 ( 1.315 0.000 5.816) 5.962 2.114 ( 2.502 0.000 -2.264) 3.375 2.114 ( 2.502 0.000 2.264) 3.375 2.301 ( -1.846 0.000 -0.945) 2.074 2.301 ( -1.846 0.000 0.945) 2.074 2.308 ( -1.167 0.000 -3.144) 3.353 2.308 ( -1.167 0.000 3.144) 3.353 2.551 ( 0.715 0.000 -0.266) 0.763 2.551 ( 0.715 0.000 0.266) 0.763 2.894 ( 0.122 0.000 -0.328) 0.350 2.894 ( 0.122 0.000 0.328) 0.350 4.865 ( -0.084 0.000 -1.219) 1.222 4.865 ( -0.084 0.000 1.219) 1.222 5.128 ( 16.608 0.000 -11.443) 20.168 5.128 ( 16.608 0.000 11.443) 20.168 5.208 ( 1.069 0.000 -4.134) 4.270 5.208 ( 1.069 0.000 4.134) 4.270 5.592 ( -16.645 0.000 -9.434) 19.133 5.592 ( -16.645 0.000 9.434) 19.133 5.710 ( -1.088 0.000 -3.803) 3.956 5.710 ( -1.088 0.000 3.803) 3.956 6.460 ( -0.241 0.000 -4.210) 4.217 6.460 ( -0.241 0.000 4.210) 4.217 6.569 ( 1.144 0.000 -3.838) 4.005 6.569 ( 1.144 0.000 3.838) 4.005 7.764 ( -2.751 0.000 -4.754) 5.493 7.764 ( -2.751 0.000 4.754) 5.493 8.362 ( 1.137 0.000 -1.445) 1.839 8.362 ( 1.137 0.000 1.445) 1.839 8.832 ( -0.637 0.000 -1.152) 1.317 8.832 ( -0.637 0.000 1.152) 1.317 9.393 ( 15.607 0.000 -11.846) 19.594 9.393 ( 15.607 0.000 11.846) 19.594 9.729 ( -18.216 0.000 -12.332) 21.998 9.729 ( -18.216 0.000 12.332) 21.998 11.382 ( -0.107 0.000 -0.586) 0.595 11.382 ( -0.107 0.000 0.586) 0.595 11.519 ( 7.601 0.000 -1.534) 7.755 11.519 ( 7.601 0.000 1.534) 7.755 11.602 ( 2.132 0.000 -1.026) 2.366 11.602 ( 2.132 0.000 1.026) 2.366 11.685 ( -8.309 0.000 -2.012) 8.549 11.685 ( -8.309 0.000 2.012) 8.549 12.024 ( 2.475 0.000 -1.713) 3.010 12.024 ( 2.475 0.000 1.713) 3.010 12.579 ( 3.696 0.000 -1.507) 3.992 12.579 ( 3.696 0.000 1.507) 3.992 12.604 ( -1.262 0.000 -0.290) 1.295 12.604 ( -1.262 0.000 0.290) 1.295 12.831 ( -0.128 0.000 -1.486) 1.491 12.831 ( -0.128 0.000 1.486) 1.491 13.040 ( -0.904 0.000 -0.577) 1.073 13.040 ( -0.904 0.000 0.577) 1.073 13.406 ( -1.055 0.000 -1.962) 2.227 13.406 ( -1.055 0.000 1.962) 2.227 13.425 ( -0.490 0.000 -0.816) 0.952 13.425 ( -0.490 0.000 0.816) 0.952 13.549 ( 0.320 0.000 -0.606) 0.686 13.549 ( 0.320 0.000 0.606) 0.686 13.940 ( 0.118 0.000 -1.345) 1.350 13.940 ( 0.118 0.000 1.345) 1.350 14.419 ( -0.222 0.000 -0.297) 0.371 14.419 ( -0.222 0.000 0.297) 0.371 14.541 ( -1.592 0.000 -1.340) 2.081 14.541 ( -1.592 0.000 1.340) 2.081 15.324 ( 2.066 0.000 -2.253) 3.057 15.324 ( 2.066 0.000 2.253) 3.057 15.883 ( 6.021 0.000 -2.189) 6.407 15.883 ( 6.021 0.000 2.189) 6.407 16.007 ( -5.315 0.000 -4.562) 7.004 16.007 ( -5.315 0.000 4.562) 7.004 16.080 ( 0.971 0.000 -2.385) 2.575 16.080 ( 0.971 0.000 2.385) 2.575 16.470 ( -0.837 0.000 -1.054) 1.346 16.470 ( -0.837 0.000 1.054) 1.346 16.910 ( -1.805 0.000 -2.214) 2.856 16.910 ( -1.805 0.000 2.214) 2.856 17.191 ( 0.383 0.000 -2.628) 2.655 17.191 ( 0.383 0.000 2.628) 2.655 24.281 ( 6.364 0.000 -1.876) 6.634 24.281 ( 6.364 0.000 1.876) 6.634 24.404 ( -5.587 0.000 -1.622) 5.818 24.404 ( -5.587 0.000 1.622) 5.818 26.127 ( 2.363 0.000 -2.122) 3.176 26.127 ( 2.363 0.000 2.122) 3.176 26.289 ( 0.009 0.000 -0.164) 0.164 26.289 ( 0.009 0.000 0.164) 0.164 26.336 ( -3.172 0.000 -2.994) 4.362 26.336 ( -3.172 0.000 2.994) 4.362 26.790 ( -0.005 0.000 -0.312) 0.312 26.790 ( -0.005 0.000 0.312) 0.312 27.005 ( 0.781 0.000 -1.334) 1.546 27.005 ( 0.781 0.000 1.334) 1.546 28.157 ( -0.438 0.000 -1.974) 2.022 28.157 ( -0.438 0.000 1.974) 2.022 ======================= Grid point 235 (79/90) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.033 ( 0.000 -1.504 -14.186) 14.265 2.033 ( 0.000 -1.504 14.186) 14.265 2.176 ( 0.000 10.278 -5.360) 11.592 2.176 ( 0.000 10.278 5.360) 11.592 2.321 ( 0.000 1.095 -4.454) 4.587 2.321 ( 0.000 1.095 4.454) 4.587 2.450 ( 0.000 4.989 -5.378) 7.335 2.450 ( 0.000 4.989 5.378) 7.335 2.712 ( 0.000 18.506 -2.973) 18.744 2.712 ( 0.000 18.506 2.973) 18.744 2.956 ( 0.000 9.069 -0.418) 9.079 2.956 ( 0.000 9.069 0.418) 9.079 4.700 ( 0.000 -2.415 -14.412) 14.613 4.700 ( 0.000 -2.415 14.412) 14.613 4.937 ( 0.000 6.135 -1.543) 6.326 4.937 ( 0.000 6.135 1.543) 6.326 5.188 ( 0.000 2.284 -8.673) 8.969 5.188 ( 0.000 2.284 8.673) 8.969 5.770 ( 0.000 1.816 -5.720) 6.001 5.770 ( 0.000 1.816 5.720) 6.001 6.013 ( 0.000 2.165 -6.077) 6.451 6.013 ( 0.000 2.165 6.077) 6.451 6.437 ( 0.000 -1.141 -9.366) 9.435 6.437 ( 0.000 -1.141 9.366) 9.435 6.665 ( 0.000 11.787 -8.695) 14.647 6.665 ( 0.000 11.787 8.695) 14.647 7.776 ( 0.000 -10.623 -11.206) 15.441 7.776 ( 0.000 -10.623 11.206) 15.441 8.303 ( 0.000 -0.070 -2.738) 2.739 8.303 ( 0.000 -0.070 2.738) 2.739 8.844 ( 0.000 -1.562 -3.542) 3.871 8.844 ( 0.000 -1.562 3.542) 3.871 9.238 ( 0.000 15.775 -3.683) 16.199 9.238 ( 0.000 15.775 3.683) 16.199 10.181 ( 0.000 -1.561 -8.146) 8.294 10.181 ( 0.000 -1.561 8.146) 8.294 11.306 ( 0.000 -5.826 -2.535) 6.354 11.306 ( 0.000 -5.826 2.535) 6.354 11.309 ( 0.000 -6.633 -3.964) 7.727 11.309 ( 0.000 -6.633 3.964) 7.727 11.408 ( 0.000 -5.182 -0.992) 5.276 11.408 ( 0.000 -5.182 0.992) 5.276 11.826 ( 0.000 -8.503 -1.178) 8.585 11.826 ( 0.000 -8.503 1.178) 8.585 11.916 ( 0.000 1.282 -1.002) 1.628 11.916 ( 0.000 1.282 1.002) 1.628 12.464 ( 0.000 2.182 -0.404) 2.219 12.464 ( 0.000 2.182 0.404) 2.219 12.666 ( 0.000 1.769 -0.830) 1.954 12.666 ( 0.000 1.769 0.830) 1.954 12.798 ( 0.000 -3.880 -3.562) 5.267 12.798 ( 0.000 -3.880 3.562) 5.267 13.044 ( 0.000 -1.511 -1.042) 1.835 13.044 ( 0.000 -1.511 1.042) 1.835 13.305 ( 0.000 -8.804 -1.873) 9.001 13.305 ( 0.000 -8.804 1.873) 9.001 13.473 ( 0.000 -3.613 -3.709) 5.178 13.473 ( 0.000 -3.613 3.709) 5.178 13.619 ( 0.000 -0.575 -1.981) 2.063 13.619 ( 0.000 -0.575 1.981) 2.063 13.897 ( 0.000 8.267 -3.354) 8.922 13.897 ( 0.000 8.267 3.354) 8.922 14.361 ( 0.000 -1.656 -1.054) 1.963 14.361 ( 0.000 -1.656 1.054) 1.963 14.790 ( 0.000 8.090 -4.223) 9.126 14.790 ( 0.000 8.090 4.223) 9.126 15.288 ( 0.000 3.055 -0.517) 3.098 15.288 ( 0.000 3.055 0.517) 3.098 15.669 ( 0.000 -0.312 -1.157) 1.198 15.669 ( 0.000 -0.312 1.157) 1.198 16.025 ( 0.000 -0.881 -0.166) 0.896 16.025 ( 0.000 -0.881 0.166) 0.896 16.197 ( 0.000 3.018 -1.378) 3.318 16.197 ( 0.000 3.018 1.378) 3.318 16.424 ( 0.000 -6.875 -0.248) 6.879 16.424 ( 0.000 -6.875 0.248) 6.879 16.956 ( 0.000 -3.740 -5.915) 6.998 16.956 ( 0.000 -3.740 5.915) 6.998 17.210 ( 0.000 4.088 -6.820) 7.951 17.210 ( 0.000 4.088 6.820) 7.951 24.130 ( 0.000 -0.089 -1.729) 1.731 24.130 ( 0.000 -0.089 1.729) 1.731 24.514 ( 0.000 -0.428 -1.205) 1.279 24.514 ( 0.000 -0.428 1.205) 1.279 26.014 ( 0.000 -3.151 -2.536) 4.044 26.014 ( 0.000 -3.151 2.536) 4.044 26.316 ( 0.000 -1.678 -4.144) 4.471 26.316 ( 0.000 -1.678 4.144) 4.471 26.409 ( 0.000 1.163 -0.875) 1.455 26.409 ( 0.000 1.163 0.875) 1.455 26.911 ( 0.000 9.208 -4.712) 10.344 26.911 ( 0.000 9.208 4.712) 10.344 26.977 ( 0.000 1.879 -1.632) 2.489 26.977 ( 0.000 1.879 1.632) 2.489 28.162 ( 0.000 -1.323 -6.099) 6.241 28.162 ( 0.000 -1.323 6.099) 6.241 ======================= Grid point 237 (80/90) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.049 ( 1.527 -1.454 -12.172) 12.353 2.049 ( 1.527 -1.454 12.172) 12.353 2.185 ( 1.035 7.831 -4.744) 9.214 2.185 ( 1.035 7.831 4.744) 9.214 2.343 ( 1.738 2.275 -4.555) 5.380 2.343 ( 1.738 2.275 4.555) 5.380 2.427 ( -2.112 5.247 -4.290) 7.099 2.427 ( -2.112 5.247 4.290) 7.099 2.708 ( -0.380 18.742 -2.440) 18.904 2.708 ( -0.380 18.742 2.440) 18.904 2.958 ( 0.114 8.793 -0.307) 8.799 2.958 ( 0.114 8.793 0.307) 8.799 4.799 ( 9.629 -3.084 -13.586) 16.935 4.799 ( 9.629 -3.084 13.586) 16.935 4.943 ( 0.982 6.324 -2.425) 6.844 4.943 ( 0.982 6.324 2.425) 6.844 5.199 ( 1.031 1.578 -7.297) 7.537 5.199 ( 1.031 1.578 7.297) 7.537 5.728 ( -4.308 0.523 -4.190) 6.033 5.728 ( -4.308 0.523 4.190) 6.033 5.954 ( -6.291 6.175 -10.116) 13.418 5.954 ( -6.291 6.175 10.116) 13.418 6.416 ( -1.644 -2.718 -9.313) 9.840 6.416 ( -1.644 -2.718 9.313) 9.840 6.681 ( 1.537 11.741 -8.649) 14.664 6.681 ( 1.537 11.741 8.649) 14.664 7.750 ( -2.333 -8.539 -10.082) 13.417 7.750 ( -2.333 -8.539 10.082) 13.417 8.324 ( 1.825 -0.239 -2.780) 3.335 8.324 ( 1.825 -0.239 2.780) 3.335 8.826 ( -1.655 -2.090 -2.869) 3.917 8.826 ( -1.655 -2.090 2.869) 3.917 9.300 ( 6.629 13.436 -5.921) 16.110 9.300 ( 6.629 13.436 5.921) 16.110 10.051 ( -12.483 0.321 -9.827) 15.890 10.051 ( -12.483 0.321 9.827) 15.890 11.307 ( 0.831 -6.567 -1.919) 6.892 11.307 ( 0.831 -6.567 1.919) 6.892 11.378 ( 5.523 -4.884 -1.666) 7.559 11.378 ( 5.523 -4.884 1.666) 7.559 11.444 ( 3.439 -5.959 -1.742) 7.097 11.444 ( 3.439 -5.959 1.742) 7.097 11.835 ( -3.013 -4.069 -4.595) 6.837 11.835 ( -3.013 -4.069 4.595) 6.837 11.875 ( -0.266 -3.622 -0.646) 3.689 11.875 ( -0.266 -3.622 0.646) 3.689 12.506 ( 3.790 0.840 -1.419) 4.133 12.506 ( 3.790 0.840 1.419) 4.133 12.646 ( -1.681 1.149 -0.705) 2.155 12.646 ( -1.681 1.149 0.705) 2.155 12.814 ( 1.647 -1.699 -3.341) 4.094 12.814 ( 1.647 -1.699 3.341) 4.094 13.040 ( -0.555 -1.810 -0.920) 2.105 13.040 ( -0.555 -1.810 0.920) 2.105 13.303 ( -0.005 -8.140 -2.798) 8.608 13.303 ( -0.005 -8.140 2.798) 8.608 13.447 ( -3.070 -3.724 -2.583) 5.474 13.447 ( -3.070 -3.724 2.583) 5.474 13.567 ( -2.859 0.368 -1.608) 3.301 13.567 ( -2.859 0.368 1.608) 3.301 13.958 ( 3.839 5.243 -2.652) 7.018 13.958 ( 3.839 5.243 2.652) 7.018 14.378 ( 1.625 -0.514 -1.268) 2.125 14.378 ( 1.625 -0.514 1.268) 2.125 14.732 ( -4.965 9.042 -3.238) 10.811 14.732 ( -4.965 9.042 3.238) 10.811 15.297 ( 1.105 1.715 -3.076) 3.691 15.297 ( 1.105 1.715 3.076) 3.691 15.743 ( 6.795 -0.846 -1.836) 7.089 15.743 ( 6.795 -0.846 1.836) 7.089 16.025 ( -0.091 -1.245 -2.148) 2.484 16.025 ( -0.091 -1.245 2.148) 2.484 16.180 ( -2.012 4.961 -2.968) 6.121 16.180 ( -2.012 4.961 2.968) 6.121 16.401 ( -2.073 -7.886 -1.094) 8.227 16.401 ( -2.073 -7.886 1.094) 8.227 16.955 ( -0.021 -1.419 -6.035) 6.200 16.955 ( -0.021 -1.419 6.035) 6.200 17.198 ( -1.210 2.361 -7.028) 7.512 17.198 ( -1.210 2.361 7.028) 7.512 24.173 ( 4.418 -0.123 -1.788) 4.768 24.173 ( 4.418 -0.123 1.788) 4.768 24.484 ( -3.165 -0.402 -1.323) 3.454 24.484 ( -3.165 -0.402 1.323) 3.454 26.033 ( 1.936 -3.273 -2.480) 4.540 26.033 ( 1.936 -3.273 2.480) 4.540 26.305 ( -1.270 -3.164 -4.264) 5.459 26.305 ( -1.270 -3.164 4.264) 5.459 26.399 ( -0.765 3.716 -2.432) 4.507 26.399 ( -0.765 3.716 2.432) 4.507 26.837 ( -4.374 2.571 -2.092) 5.488 26.837 ( -4.374 2.571 2.092) 5.488 27.056 ( 4.885 8.087 -2.399) 9.747 27.056 ( 4.885 8.087 2.399) 9.747 28.149 ( -1.152 -1.831 -5.037) 5.482 28.149 ( -1.152 -1.831 5.037) 5.482 ======================= Grid point 239 (81/90) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.076 ( 0.931 -1.359 -5.160) 5.416 2.076 ( 0.931 -1.359 5.160) 5.416 2.207 ( 0.883 3.295 -1.927) 3.918 2.207 ( 0.883 3.295 1.927) 3.918 2.363 ( 0.304 6.992 -4.631) 8.392 2.363 ( 0.304 6.992 4.631) 8.392 2.394 ( -0.998 4.163 -3.096) 5.283 2.394 ( -0.998 4.163 3.096) 5.283 2.703 ( -0.084 18.373 -0.897) 18.395 2.703 ( -0.084 18.373 0.897) 18.395 2.959 ( 0.046 8.414 -0.117) 8.415 2.959 ( 0.046 8.414 0.117) 8.415 4.916 ( 1.026 3.718 -2.743) 4.733 4.916 ( 1.026 3.718 2.743) 4.733 5.070 ( 11.927 -2.995 -3.849) 12.886 5.070 ( 11.927 -2.995 3.849) 12.886 5.208 ( -0.996 -0.946 -2.177) 2.575 5.208 ( -0.996 -0.946 2.177) 2.575 5.611 ( -7.247 3.647 -1.292) 8.216 5.611 ( -7.247 3.647 1.292) 8.216 5.828 ( -4.595 9.558 -7.351) 12.904 5.828 ( -4.595 9.558 7.351) 12.904 6.395 ( -0.517 -4.480 -3.944) 5.992 6.395 ( -0.517 -4.480 3.945) 5.992 6.709 ( 1.045 11.773 -4.001) 12.478 6.709 ( 1.045 11.773 4.001) 12.478 7.711 ( -1.359 -5.128 -4.533) 6.978 7.711 ( -1.359 -5.128 4.533) 6.978 8.354 ( 1.006 -0.515 -1.390) 1.791 8.354 ( 1.006 -0.515 1.390) 1.791 8.797 ( -0.994 -3.062 -1.134) 3.413 8.797 ( -0.994 -3.062 1.134) 3.413 9.476 ( 11.342 7.481 -8.362) 15.954 9.476 ( 11.342 7.481 8.362) 15.954 9.782 ( -14.365 5.572 -9.897) 18.313 9.782 ( -14.365 5.572 9.897) 18.313 11.318 ( 0.229 -5.973 -0.692) 6.017 11.318 ( 0.229 -5.973 0.692) 6.017 11.487 ( 2.976 -10.120 -1.250) 10.622 11.487 ( 2.976 -10.120 1.250) 10.622 11.523 ( 6.974 -0.347 -2.156) 7.308 11.523 ( 6.974 -0.347 2.156) 7.308 11.697 ( -8.816 -0.021 -3.180) 9.372 11.697 ( -8.816 -0.021 3.180) 9.372 11.922 ( 2.232 -9.270 -0.956) 9.582 11.922 ( 2.232 -9.270 0.956) 9.582 12.561 ( 1.047 -2.133 -0.640) 2.461 12.561 ( 1.047 -2.133 0.640) 2.461 12.628 ( 0.278 1.864 -0.374) 1.922 12.628 ( 0.278 1.864 0.374) 1.922 12.849 ( 1.573 1.515 -1.588) 2.700 12.849 ( 1.573 1.515 1.588) 2.700 13.022 ( -1.013 -2.052 -0.655) 2.380 13.022 ( -1.013 -2.052 0.655) 2.380 13.316 ( 1.460 -7.609 -2.249) 8.068 13.316 ( 1.460 -7.609 2.249) 8.068 13.378 ( -3.311 -4.156 -0.601) 5.347 13.378 ( -3.311 -4.156 0.601) 5.347 13.541 ( -0.460 -0.493 -0.775) 1.027 13.541 ( -0.460 -0.493 0.775) 1.027 13.995 ( 0.447 4.552 -0.921) 4.666 13.995 ( 0.447 4.552 0.921) 4.666 14.405 ( 0.744 -0.357 -0.612) 1.027 14.405 ( 0.744 -0.357 0.612) 1.027 14.658 ( -2.093 10.312 -1.332) 10.606 14.658 ( -2.093 10.312 1.332) 10.606 15.322 ( 1.108 -0.440 -1.757) 2.123 15.322 ( 1.108 -0.440 1.757) 2.123 15.882 ( 7.397 -0.908 -2.432) 7.839 15.882 ( 7.397 -0.908 2.432) 7.839 15.997 ( -3.897 0.025 -3.869) 5.491 15.997 ( -3.897 0.025 3.869) 5.491 16.140 ( -1.218 5.086 -1.405) 5.415 16.140 ( -1.218 5.086 1.405) 5.415 16.364 ( -1.424 -9.085 -0.731) 9.225 16.364 ( -1.424 -9.085 0.731) 9.225 16.959 ( 0.367 3.702 -3.443) 5.069 16.959 ( 0.367 3.702 3.443) 5.069 17.173 ( -1.016 -1.403 -3.870) 4.240 17.173 ( -1.016 -1.403 3.870) 4.240 24.279 ( 6.313 -0.203 -1.759) 6.557 24.279 ( 6.313 -0.203 1.759) 6.557 24.400 ( -5.540 -0.334 -1.557) 5.764 24.400 ( -5.540 -0.334 1.557) 5.764 26.073 ( 1.777 -3.577 -1.492) 4.264 26.073 ( 1.777 -3.577 1.492) 4.264 26.272 ( -1.644 -4.744 -2.256) 5.505 26.272 ( -1.644 -4.744 2.256) 5.505 26.390 ( -0.215 7.281 -1.342) 7.407 26.390 ( -0.215 7.281 1.342) 7.407 26.779 ( -1.670 -1.224 -0.560) 2.145 26.779 ( -1.670 -1.224 0.560) 2.145 27.124 ( 2.034 11.120 -1.131) 11.361 27.124 ( 2.034 11.120 1.131) 11.361 28.129 ( -0.741 -2.736 -1.996) 3.467 28.129 ( -0.741 -2.736 1.996) 3.467 ======================= Grid point 245 (82/90) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.004 ( 0.000 -1.492 -11.886) 11.979 2.004 ( 0.000 -1.492 11.886) 11.979 2.275 ( 0.000 0.878 -4.163) 4.254 2.275 ( 0.000 0.878 4.163) 4.254 2.353 ( 0.000 2.222 -1.902) 2.925 2.353 ( 0.000 2.222 1.902) 2.925 2.517 ( 0.000 1.211 -5.093) 5.235 2.517 ( 0.000 1.211 5.093) 5.235 3.172 ( 0.000 25.900 -4.028) 26.211 3.172 ( 0.000 25.900 4.028) 26.211 3.275 ( 0.000 21.268 -0.701) 21.280 3.275 ( 0.000 21.268 0.701) 21.280 4.655 ( 0.000 -1.922 -11.146) 11.311 4.655 ( 0.000 -1.922 11.146) 11.311 5.057 ( 0.000 4.200 -10.270) 11.096 5.057 ( 0.000 4.200 10.270) 11.096 5.252 ( 0.000 5.690 -2.023) 6.039 5.252 ( 0.000 5.690 2.023) 6.039 5.819 ( 0.000 1.949 -6.821) 7.094 5.819 ( 0.000 1.949 6.821) 7.094 6.067 ( 0.000 3.402 -6.725) 7.537 6.067 ( 0.000 3.402 6.725) 7.537 6.451 ( 0.000 3.120 -9.171) 9.687 6.451 ( 0.000 3.120 9.171) 9.687 6.922 ( 0.000 12.407 -6.852) 14.173 6.922 ( 0.000 12.407 6.852) 14.173 7.570 ( 0.000 -8.332 -10.772) 13.618 7.570 ( 0.000 -8.332 10.772) 13.618 8.305 ( 0.000 0.316 -2.484) 2.504 8.305 ( 0.000 0.316 2.484) 2.504 8.802 ( 0.000 -2.672 -3.624) 4.503 8.802 ( 0.000 -2.672 3.624) 4.503 9.605 ( 0.000 20.509 -0.297) 20.511 9.605 ( 0.000 20.509 0.297) 20.511 10.129 ( 0.000 -3.953 -10.126) 10.870 10.129 ( 0.000 -3.953 10.126) 10.870 11.107 ( 0.000 -11.845 -3.925) 12.479 11.107 ( 0.000 -11.845 3.925) 12.479 11.164 ( 0.000 -8.725 -0.284) 8.730 11.164 ( 0.000 -8.725 0.284) 8.730 11.310 ( 0.000 -5.531 -1.902) 5.849 11.310 ( 0.000 -5.531 1.902) 5.849 11.655 ( 0.000 -7.336 -3.269) 8.031 11.655 ( 0.000 -7.336 3.269) 8.031 11.953 ( 0.000 2.252 -0.609) 2.333 11.953 ( 0.000 2.252 0.609) 2.333 12.414 ( 0.000 -9.243 -1.560) 9.374 12.414 ( 0.000 -9.243 1.560) 9.374 12.688 ( 0.000 0.504 -0.563) 0.756 12.688 ( 0.000 0.504 0.563) 0.756 12.769 ( 0.000 2.216 -1.139) 2.491 12.769 ( 0.000 2.216 1.139) 2.491 12.982 ( 0.000 -4.933 -2.907) 5.726 12.982 ( 0.000 -4.933 2.907) 5.726 13.167 ( 0.000 -5.404 -0.240) 5.409 13.167 ( 0.000 -5.404 0.240) 5.409 13.396 ( 0.000 -4.594 -1.615) 4.870 13.396 ( 0.000 -4.594 1.615) 4.870 13.570 ( 0.000 -1.768 -3.259) 3.707 13.570 ( 0.000 -1.768 3.259) 3.707 14.042 ( 0.000 6.332 -3.598) 7.283 14.042 ( 0.000 6.332 3.598) 7.283 14.429 ( 0.000 7.072 -0.827) 7.120 14.429 ( 0.000 7.072 0.827) 7.120 14.928 ( 0.000 6.005 -3.837) 7.126 14.928 ( 0.000 6.005 3.837) 7.126 15.338 ( 0.000 1.351 -0.761) 1.550 15.338 ( 0.000 1.351 0.761) 1.550 15.648 ( 0.000 -1.664 -1.193) 2.048 15.648 ( 0.000 -1.664 1.193) 2.048 16.023 ( 0.000 0.751 -3.771) 3.845 16.023 ( 0.000 0.751 3.771) 3.845 16.152 ( 0.000 -8.866 -5.216) 10.287 16.152 ( 0.000 -8.866 5.216) 10.287 16.376 ( 0.000 3.522 -2.735) 4.459 16.376 ( 0.000 3.522 2.735) 4.459 16.873 ( 0.000 -4.260 -3.648) 5.609 16.873 ( 0.000 -4.260 3.648) 5.609 17.299 ( 0.000 4.627 -4.553) 6.492 17.299 ( 0.000 4.627 4.553) 6.492 24.128 ( 0.000 -0.060 -1.321) 1.322 24.128 ( 0.000 -0.060 1.321) 1.322 24.505 ( 0.000 -0.378 -1.071) 1.135 24.505 ( 0.000 -0.378 1.071) 1.135 25.958 ( 0.000 -2.385 -1.782) 2.977 25.958 ( 0.000 -2.385 1.782) 2.977 26.228 ( 0.000 -4.898 -2.770) 5.627 26.228 ( 0.000 -4.898 2.770) 5.627 26.484 ( 0.000 3.766 -1.796) 4.172 26.484 ( 0.000 3.766 1.796) 4.172 26.998 ( 0.000 2.605 -2.943) 3.930 26.998 ( 0.000 2.605 2.943) 3.930 27.119 ( 0.000 8.884 -3.594) 9.583 27.119 ( 0.000 8.884 3.594) 9.583 28.143 ( 0.000 -0.193 -5.482) 5.485 28.143 ( 0.000 -0.193 5.482) 5.485 ======================= Grid point 247 (83/90) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.024 ( 1.926 -1.270 -10.654) 10.901 2.024 ( 1.926 -1.270 10.654) 10.901 2.249 ( -2.255 0.427 -4.111) 4.708 2.249 ( -2.255 0.427 4.111) 4.708 2.374 ( 1.647 1.157 -1.517) 2.521 2.374 ( 1.647 1.157 1.517) 2.521 2.509 ( -0.719 1.642 -3.975) 4.360 2.509 ( -0.719 1.642 3.975) 4.360 3.167 ( -0.420 25.564 -3.492) 25.804 3.167 ( -0.420 25.564 3.492) 25.804 3.270 ( -0.482 21.036 -0.885) 21.060 3.270 ( -0.482 21.036 0.885) 21.060 4.743 ( 8.617 -2.360 -10.457) 13.754 4.743 ( 8.617 -2.360 10.457) 13.754 5.058 ( 0.066 3.282 -10.825) 11.312 5.058 ( 0.066 3.282 10.825) 11.312 5.254 ( 0.123 5.946 -3.350) 6.825 5.254 ( 0.123 5.946 3.350) 6.825 5.772 ( -3.855 2.957 -4.833) 6.853 5.772 ( -3.855 2.957 4.833) 6.853 6.073 ( -0.439 5.119 -10.239) 11.456 6.073 ( -0.439 5.119 10.239) 11.456 6.392 ( -5.445 1.280 -9.364) 10.908 6.392 ( -5.445 1.280 9.364) 10.908 6.938 ( 1.762 12.865 -7.025) 14.764 6.938 ( 1.762 12.865 7.025) 14.764 7.576 ( 0.636 -7.602 -9.746) 12.377 7.576 ( 0.636 -7.602 9.746) 12.377 8.326 ( 1.917 0.630 -2.393) 3.130 8.326 ( 1.917 0.630 2.393) 3.130 8.777 ( -2.349 -2.792 -2.975) 4.708 8.777 ( -2.349 -2.792 2.975) 4.708 9.610 ( 0.748 16.922 -0.973) 16.966 9.610 ( 0.748 16.922 0.973) 16.966 10.059 ( -6.538 0.405 -9.009) 11.139 10.059 ( -6.538 0.405 9.009) 11.139 11.144 ( 2.970 -10.264 -2.328) 10.936 11.144 ( 2.970 -10.264 2.328) 10.936 11.185 ( 2.398 -10.887 -1.258) 11.218 11.185 ( 2.398 -10.887 1.258) 11.218 11.370 ( 5.907 -4.321 -2.946) 7.889 11.370 ( 5.907 -4.321 2.946) 7.889 11.643 ( -1.355 -9.612 -3.707) 10.391 11.643 ( -1.355 -9.612 3.707) 10.391 11.901 ( -5.157 2.073 -1.000) 5.647 11.901 ( -5.157 2.073 1.000) 5.647 12.431 ( 1.584 -9.767 -1.815) 10.059 12.431 ( 1.584 -9.767 1.815) 10.059 12.676 ( -0.768 1.916 -0.491) 2.121 12.676 ( -0.768 1.916 0.491) 2.121 12.808 ( 3.421 1.479 -2.200) 4.328 12.808 ( 3.421 1.479 2.200) 4.328 12.977 ( -0.573 -4.562 -2.693) 5.329 12.977 ( -0.573 -4.562 2.693) 5.329 13.168 ( 0.080 -5.764 -1.558) 5.972 13.168 ( 0.080 -5.764 1.558) 5.972 13.370 ( -2.611 -3.508 -1.232) 4.544 13.370 ( -2.611 -3.508 1.232) 4.544 13.549 ( -1.473 -0.806 -3.193) 3.608 13.549 ( -1.473 -0.806 3.193) 3.608 14.062 ( 1.747 5.387 -1.943) 5.987 14.062 ( 1.747 5.387 1.943) 5.987 14.433 ( -0.223 4.651 -1.118) 4.789 14.433 ( -0.223 4.651 1.118) 4.789 14.907 ( -1.694 8.674 -3.585) 9.537 14.907 ( -1.694 8.674 3.585) 9.537 15.319 ( -1.392 0.341 -2.822) 3.165 15.319 ( -1.392 0.341 2.822) 3.165 15.705 ( 5.355 -3.165 -2.180) 6.591 15.705 ( 5.355 -3.165 2.180) 6.591 16.017 ( -0.424 -0.535 -2.930) 3.008 16.017 ( -0.424 -0.535 2.930) 3.008 16.161 ( 0.411 -7.693 -4.342) 8.843 16.161 ( 0.411 -7.693 4.342) 8.843 16.350 ( -2.728 4.750 -1.604) 5.708 16.350 ( -2.728 4.750 1.604) 5.708 16.906 ( 3.778 -2.939 -4.470) 6.549 16.906 ( 3.778 -2.939 4.470) 6.549 17.263 ( -3.830 3.795 -5.205) 7.494 17.263 ( -3.830 3.795 5.205) 7.494 24.171 ( 4.347 -0.095 -1.376) 4.560 24.171 ( 4.347 -0.095 1.376) 4.560 24.476 ( -3.119 -0.363 -1.144) 3.342 24.476 ( -3.119 -0.363 1.144) 3.342 25.977 ( 1.906 -2.331 -1.766) 3.491 25.977 ( 1.906 -2.331 1.766) 3.491 26.212 ( -1.671 -4.802 -2.626) 5.722 26.212 ( -1.671 -4.802 2.626) 5.722 26.495 ( 1.242 4.195 -1.593) 4.656 26.495 ( 1.242 4.195 1.593) 4.656 26.872 ( -8.080 1.609 -2.191) 8.525 26.872 ( -8.080 1.609 2.191) 8.525 27.250 ( 8.576 10.372 -3.228) 13.840 27.250 ( 8.576 10.372 3.228) 13.840 28.115 ( -2.683 -1.243 -4.735) 5.582 28.115 ( -2.683 -1.243 4.735) 5.582 ======================= Grid point 249 (84/90) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.063 ( 1.712 -0.151 -5.520) 5.781 2.063 ( 1.712 -0.151 5.520) 5.781 2.206 ( -1.786 -1.517 -2.813) 3.661 2.206 ( -1.786 -1.517 2.813) 3.661 2.399 ( 0.787 -0.002 -0.472) 0.917 2.399 ( 0.787 -0.002 0.472) 0.917 2.498 ( -0.375 2.275 -1.395) 2.695 2.498 ( -0.375 2.275 1.395) 2.695 3.160 ( -0.227 25.139 -1.492) 25.184 3.160 ( -0.227 25.139 1.492) 25.184 3.261 ( -0.332 20.611 -0.508) 20.620 3.261 ( -0.332 20.611 0.508) 20.620 4.918 ( 7.652 -2.561 -8.267) 11.552 4.918 ( 7.652 -2.561 8.267) 11.552 5.053 ( -0.715 -1.543 -10.228) 10.369 5.053 ( -0.715 -1.543 10.228) 10.369 5.253 ( -0.266 7.945 -3.968) 8.885 5.253 ( -0.266 7.945 3.968) 8.885 5.715 ( -1.577 5.889 -2.817) 6.715 5.715 ( -1.577 5.889 2.817) 6.715 6.025 ( -3.544 9.814 -8.660) 13.560 6.025 ( -3.544 9.814 8.660) 13.560 6.308 ( -2.351 -4.029 -4.606) 6.556 6.308 ( -2.351 -4.029 4.606) 6.556 6.973 ( 1.343 14.169 -3.400) 14.633 6.973 ( 1.343 14.169 3.400) 14.633 7.589 ( 0.547 -6.742 -4.402) 8.070 7.589 ( 0.547 -6.742 4.402) 8.070 8.359 ( 1.133 1.492 -1.203) 2.226 8.359 ( 1.133 1.492 1.203) 2.226 8.734 ( -1.640 -3.275 -1.164) 3.843 8.734 ( -1.640 -3.275 1.164) 3.843 9.635 ( 1.471 8.320 -1.335) 8.554 9.635 ( 1.471 8.320 1.335) 8.554 9.940 ( -4.562 9.812 -4.437) 11.695 9.940 ( -4.562 9.812 4.437) 11.695 11.176 ( 0.654 -7.972 -0.542) 8.017 11.176 ( 0.654 -7.972 0.542) 8.017 11.250 ( 2.999 -12.912 -1.574) 13.349 11.250 ( 2.999 -12.912 1.574) 13.349 11.497 ( 6.670 -4.192 -4.306) 8.978 11.497 ( 6.670 -4.192 4.306) 8.978 11.599 ( -3.456 -9.283 -5.052) 11.120 11.599 ( -3.456 -9.283 5.052) 11.120 11.797 ( -4.440 -1.319 -0.650) 4.678 11.797 ( -4.440 -1.319 0.650) 4.678 12.459 ( 1.031 -9.688 -1.000) 9.794 12.459 ( 1.031 -9.688 1.000) 9.794 12.668 ( -0.126 2.410 -0.132) 2.417 12.668 ( -0.126 2.410 0.132) 2.417 12.870 ( 2.457 0.738 -1.686) 3.070 12.870 ( 2.457 0.738 1.686) 3.070 12.963 ( -0.743 -3.710 -1.640) 4.123 12.963 ( -0.743 -3.710 1.640) 4.123 13.170 ( 0.045 -6.913 -1.186) 7.014 13.170 ( 0.045 -6.913 1.186) 7.014 13.320 ( -1.845 -0.463 -0.972) 2.136 13.320 ( -1.845 -0.463 0.972) 2.136 13.532 ( -0.420 -0.623 -1.235) 1.445 13.532 ( -0.420 -0.623 1.235) 1.445 14.092 ( 1.117 5.324 -0.135) 5.441 14.092 ( 1.117 5.324 0.135) 5.441 14.411 ( -1.432 0.537 -0.821) 1.736 14.411 ( -1.432 0.537 0.821) 1.736 14.886 ( -0.478 12.271 -1.562) 12.379 14.886 ( -0.478 12.271 1.562) 12.379 15.303 ( -0.325 -1.309 -1.447) 1.978 15.303 ( -0.325 -1.309 1.447) 1.978 15.820 ( 5.954 -5.304 -1.785) 8.171 15.820 ( 5.954 -5.304 1.785) 8.171 15.982 ( -3.627 -4.878 -0.502) 6.099 15.982 ( -3.627 -4.878 0.502) 6.099 16.188 ( 3.356 -1.542 -2.783) 4.624 16.188 ( 3.356 -1.542 2.783) 4.624 16.277 ( -4.801 4.533 -2.533) 7.072 16.277 ( -4.801 4.533 2.533) 7.072 17.009 ( 6.394 1.028 -5.242) 8.332 17.009 ( 6.394 1.028 5.242) 8.332 17.165 ( -6.049 0.947 -5.482) 8.218 17.165 ( -6.049 0.947 5.482) 8.218 24.275 ( 6.252 -0.160 -1.393) 6.407 24.275 ( 6.252 -0.160 1.393) 6.407 24.393 ( -5.494 -0.330 -1.287) 5.652 24.393 ( -5.494 -0.330 1.287) 5.652 26.017 ( 1.851 -2.076 -1.140) 3.006 26.017 ( 1.851 -2.076 1.140) 3.006 26.175 ( -1.779 -4.813 -1.494) 5.344 26.175 ( -1.779 -4.813 1.494) 5.344 26.527 ( 1.606 5.953 -0.794) 6.217 26.527 ( 1.606 5.953 0.794) 6.217 26.750 ( -4.179 -1.398 -0.894) 4.496 26.750 ( -4.179 -1.398 0.894) 4.496 27.377 ( 4.054 13.793 -1.553) 14.460 27.377 ( 4.054 13.793 1.553) 14.460 28.064 ( -1.995 -3.620 -2.083) 4.629 28.064 ( -1.995 -3.620 2.083) 4.629 ======================= Grid point 255 (85/90) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( 0.000 -1.182 -6.935) 7.035 1.977 ( 0.000 -1.182 6.935) 7.035 2.270 ( 0.000 -0.600 -2.310) 2.387 2.270 ( 0.000 -0.600 2.310) 2.387 2.402 ( 0.000 2.544 -1.080) 2.763 2.402 ( 0.000 2.544 1.080) 2.763 2.509 ( 0.000 -1.401 -4.068) 4.302 2.509 ( 0.000 -1.401 4.068) 4.302 3.608 ( 0.000 17.033 -4.196) 17.543 3.608 ( 0.000 17.033 4.196) 17.543 3.642 ( 0.000 14.503 -2.051) 14.648 3.642 ( 0.000 14.503 2.051) 14.648 4.631 ( 0.000 -0.613 -6.083) 6.113 4.631 ( 0.000 -0.613 6.083) 6.113 5.080 ( 0.000 -0.474 -8.371) 8.384 5.080 ( 0.000 -0.474 8.371) 8.384 5.416 ( 0.000 9.831 -5.810) 11.419 5.416 ( 0.000 9.831 5.810) 11.419 5.793 ( 0.000 -4.673 -0.796) 4.741 5.793 ( 0.000 -4.673 0.796) 4.741 6.146 ( 0.000 4.193 -2.546) 4.905 6.146 ( 0.000 4.193 2.546) 4.905 6.561 ( 0.000 7.412 -5.721) 9.363 6.561 ( 0.000 7.412 5.721) 9.363 7.015 ( 0.000 -3.363 -0.558) 3.409 7.015 ( 0.000 -3.363 0.558) 3.409 7.558 ( 0.000 6.592 -11.211) 13.005 7.558 ( 0.000 6.592 11.211) 13.005 8.316 ( 0.000 0.766 -1.462) 1.650 8.316 ( 0.000 0.766 1.462) 1.650 8.746 ( 0.000 -2.794 -3.044) 4.132 8.746 ( 0.000 -2.794 3.044) 4.132 9.953 ( 0.000 11.634 -0.319) 11.639 9.953 ( 0.000 11.634 0.319) 11.639 10.044 ( 0.000 -2.343 -7.187) 7.559 10.044 ( 0.000 -2.343 7.187) 7.559 10.903 ( 0.000 -8.021 -2.245) 8.329 10.903 ( 0.000 -8.021 2.245) 8.329 11.024 ( 0.000 -4.840 -0.962) 4.934 11.024 ( 0.000 -4.840 0.962) 4.934 11.195 ( 0.000 -5.147 -2.490) 5.718 11.195 ( 0.000 -5.147 2.490) 5.718 11.596 ( 0.000 1.927 -2.849) 3.440 11.596 ( 0.000 1.927 2.849) 3.440 11.985 ( 0.000 -0.366 -0.510) 0.628 11.985 ( 0.000 -0.366 0.510) 0.628 12.142 ( 0.000 -15.806 -2.717) 16.038 12.142 ( 0.000 -15.806 2.717) 16.038 12.697 ( 0.000 -0.063 -1.192) 1.194 12.697 ( 0.000 -0.063 1.192) 1.194 12.821 ( 0.000 1.269 -0.269) 1.298 12.821 ( 0.000 1.269 0.269) 1.298 12.898 ( 0.000 -1.515 -2.856) 3.233 12.898 ( 0.000 -1.515 2.856) 3.233 13.074 ( 0.000 -4.322 -0.059) 4.323 13.074 ( 0.000 -4.322 0.059) 4.323 13.357 ( 0.000 1.044 -0.710) 1.262 13.357 ( 0.000 1.044 0.710) 1.262 13.550 ( 0.000 -1.197 -4.493) 4.650 13.550 ( 0.000 -1.197 4.493) 4.650 14.137 ( 0.000 3.461 -2.637) 4.351 14.137 ( 0.000 3.461 2.637) 4.351 14.565 ( 0.000 5.786 -0.048) 5.786 14.565 ( 0.000 5.786 0.048) 5.786 15.020 ( 0.000 3.498 -2.628) 4.375 15.020 ( 0.000 3.498 2.628) 4.375 15.324 ( 0.000 -2.373 -0.144) 2.378 15.324 ( 0.000 -2.373 0.144) 2.378 15.630 ( 0.000 0.263 -3.016) 3.028 15.630 ( 0.000 0.263 3.016) 3.028 15.965 ( 0.000 -8.208 -4.438) 9.331 15.965 ( 0.000 -8.208 4.438) 9.331 16.051 ( 0.000 1.156 -2.791) 3.021 16.051 ( 0.000 1.156 2.791) 3.021 16.456 ( 0.000 3.357 -0.611) 3.412 16.456 ( 0.000 3.357 0.611) 3.412 16.811 ( 0.000 -1.943 -1.595) 2.514 16.811 ( 0.000 -1.943 1.595) 2.514 17.374 ( 0.000 2.831 -2.260) 3.622 17.374 ( 0.000 2.831 2.260) 3.622 24.127 ( 0.000 -0.002 -0.712) 0.712 24.127 ( 0.000 -0.002 0.712) 0.712 24.500 ( 0.000 -0.155 -0.638) 0.657 24.500 ( 0.000 -0.155 0.638) 0.657 25.925 ( 0.000 -1.040 -0.901) 1.376 25.925 ( 0.000 -1.040 0.901) 1.376 26.151 ( 0.000 -2.910 -1.151) 3.129 26.151 ( 0.000 -2.910 1.151) 3.129 26.530 ( 0.000 1.152 -0.842) 1.427 26.530 ( 0.000 1.152 0.842) 1.427 27.043 ( 0.000 1.707 -0.579) 1.803 27.043 ( 0.000 1.707 0.579) 1.803 27.253 ( 0.000 4.804 -3.352) 5.858 27.253 ( 0.000 4.804 3.352) 5.858 28.157 ( 0.000 1.286 -3.453) 3.685 28.157 ( 0.000 1.286 3.453) 3.685 ======================= Grid point 257 (86/90) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.001 ( 2.517 -0.984 -6.456) 6.999 2.001 ( 2.517 -0.984 6.456) 6.999 2.244 ( -2.745 -0.501 -2.764) 3.928 2.244 ( -2.745 -0.501 2.764) 3.928 2.405 ( 0.254 2.000 -2.187) 2.975 2.405 ( 0.254 2.000 2.187) 2.975 2.501 ( -0.690 -1.671 -3.817) 4.224 2.501 ( -0.690 -1.671 3.817) 4.224 3.594 ( -1.217 16.677 -3.389) 17.061 3.594 ( -1.217 16.677 3.389) 17.061 3.634 ( -0.801 14.217 -1.700) 14.341 3.634 ( -0.801 14.217 1.700) 14.341 4.713 ( 7.904 -0.773 -5.648) 9.745 4.713 ( 7.904 -0.773 5.648) 9.745 5.063 ( -1.878 -1.121 -7.686) 7.991 5.063 ( -1.878 -1.121 7.686) 7.991 5.429 ( 1.371 10.382 -5.203) 11.693 5.429 ( 1.371 10.382 5.203) 11.693 5.783 ( -0.739 -2.805 -1.936) 3.487 5.783 ( -0.739 -2.805 1.936) 3.487 6.140 ( -0.227 2.491 -3.707) 4.472 6.140 ( -0.227 2.491 3.707) 4.472 6.479 ( -8.580 6.314 -6.733) 12.602 6.479 ( -8.580 6.314 6.733) 12.602 7.070 ( 5.802 -0.234 -3.928) 7.011 7.070 ( 5.802 -0.234 3.928) 7.011 7.540 ( -2.049 4.083 -9.266) 10.331 7.540 ( -2.049 4.083 9.266) 10.331 8.352 ( 3.479 1.875 -1.627) 4.274 8.352 ( 3.479 1.875 1.627) 4.274 8.722 ( -2.468 -2.732 -2.415) 4.403 8.722 ( -2.468 -2.732 2.415) 4.403 9.881 ( -5.287 9.384 -3.614) 11.361 9.881 ( -5.287 9.384 3.614) 11.361 10.071 ( 1.279 0.933 -5.302) 5.533 10.071 ( 1.279 0.933 5.302) 5.533 10.941 ( 3.655 -8.664 -2.156) 9.647 10.941 ( 3.655 -8.664 2.156) 9.647 11.038 ( 1.245 -4.529 -0.966) 4.795 11.038 ( 1.245 -4.529 0.966) 4.795 11.255 ( 5.487 -5.844 -3.298) 8.668 11.255 ( 5.487 -5.844 3.298) 8.668 11.558 ( -3.471 1.188 -3.028) 4.757 11.558 ( -3.471 1.188 3.028) 4.757 11.923 ( -5.851 -0.888 -1.409) 6.083 11.923 ( -5.851 -0.888 1.409) 6.083 12.162 ( 1.652 -15.306 -2.189) 15.550 12.162 ( 1.652 -15.306 2.189) 15.550 12.708 ( 1.057 1.186 -1.258) 2.026 12.708 ( 1.057 1.186 1.258) 2.026 12.852 ( 2.772 1.929 -0.780) 3.466 12.852 ( 2.772 1.929 0.780) 3.466 12.897 ( -0.123 -2.287 -3.323) 4.036 12.897 ( -0.123 -2.287 3.323) 4.036 13.066 ( -0.714 -4.584 -1.412) 4.849 13.066 ( -0.714 -4.584 1.412) 4.849 13.356 ( -0.038 1.780 -1.233) 2.166 13.356 ( -0.038 1.780 1.233) 2.166 13.535 ( -1.434 -1.150 -3.628) 4.067 13.535 ( -1.434 -1.150 3.628) 4.067 14.152 ( 1.598 3.570 -1.782) 4.298 14.152 ( 1.598 3.570 1.782) 4.298 14.510 ( -5.302 2.779 -0.593) 6.015 14.510 ( -5.302 2.779 0.593) 6.015 15.052 ( 2.876 5.841 -3.090) 7.207 15.052 ( 2.876 5.841 3.090) 7.207 15.315 ( -1.123 -0.525 -1.861) 2.236 15.315 ( -1.123 -0.525 1.861) 2.236 15.639 ( 1.430 -2.890 -2.947) 4.368 15.639 ( 1.430 -2.890 2.947) 4.368 15.919 ( -4.082 -7.588 -3.220) 9.199 15.919 ( -4.082 -7.588 3.220) 9.199 16.105 ( 4.994 1.004 -1.749) 5.386 16.105 ( 4.994 1.004 1.749) 5.386 16.444 ( -2.023 3.779 -0.254) 4.294 16.444 ( -2.023 3.779 0.254) 4.294 16.862 ( 5.763 -1.395 -2.151) 6.307 16.862 ( 5.763 -1.395 2.151) 6.307 17.326 ( -4.999 2.470 -2.589) 6.147 17.326 ( -4.999 2.470 2.589) 6.147 24.170 ( 4.295 -0.022 -0.747) 4.359 24.170 ( 4.295 -0.022 0.747) 4.359 24.471 ( -3.105 -0.155 -0.673) 3.181 24.471 ( -3.105 -0.155 0.673) 3.181 25.945 ( 2.104 -0.947 -0.952) 2.496 25.945 ( 2.104 -0.947 0.952) 2.496 26.137 ( -1.586 -2.871 -1.193) 3.490 26.137 ( -1.586 -2.871 1.193) 3.490 26.544 ( 1.736 1.163 -0.676) 2.197 26.544 ( 1.736 1.163 0.676) 2.197 26.902 ( -9.897 1.217 -1.019) 10.024 26.902 ( -9.897 1.217 1.019) 10.024 27.415 ( 11.894 6.053 -2.722) 13.620 27.415 ( 11.894 6.053 2.722) 13.620 28.109 ( -4.918 0.405 -3.221) 5.892 28.109 ( -4.918 0.405 3.221) 5.892 ======================= Grid point 259 (87/90) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 3.673 0.109 -4.587) 5.877 2.064 ( 3.673 0.109 4.587) 5.877 2.176 ( -3.865 -1.289 -3.175) 5.166 2.176 ( -3.865 -1.289 3.175) 5.166 2.408 ( 0.079 1.159 -1.179) 1.655 2.408 ( 0.079 1.159 1.179) 1.655 2.490 ( -0.321 -1.981 -1.704) 2.633 2.490 ( -0.321 -1.981 1.704) 2.633 3.575 ( -0.600 16.141 -1.384) 16.212 3.575 ( -0.600 16.141 1.384) 16.212 3.619 ( -0.535 13.910 -0.744) 13.940 3.619 ( -0.535 13.910 0.744) 13.940 4.876 ( 8.068 -1.386 -4.889) 9.535 4.876 ( 8.068 -1.386 4.889) 9.535 5.007 ( -4.224 -2.278 -5.803) 7.530 5.007 ( -4.224 -2.278 5.803) 7.530 5.459 ( 1.314 11.655 -2.431) 11.978 5.459 ( 1.314 11.655 2.431) 11.978 5.780 ( 0.383 -0.751 -2.140) 2.300 5.780 ( 0.383 -0.751 2.140) 2.300 6.155 ( 2.353 2.913 -5.217) 6.422 6.155 ( 2.353 2.913 5.217) 6.422 6.289 ( -9.418 2.849 -4.350) 10.758 6.289 ( -9.418 2.849 4.350) 10.758 7.194 ( 5.530 7.287 -1.448) 9.262 7.194 ( 5.530 7.287 1.448) 9.262 7.484 ( -3.100 -3.219 -3.923) 5.946 7.484 ( -3.100 -3.219 3.923) 5.946 8.422 ( 2.998 4.828 -1.025) 5.775 8.422 ( 2.998 4.828 1.025) 5.775 8.669 ( -2.378 -3.550 -0.986) 4.385 8.669 ( -2.378 -3.550 0.986) 4.385 9.803 ( -2.437 9.439 -1.539) 9.869 9.803 ( -2.437 9.439 1.539) 9.869 10.082 ( 0.150 2.362 -1.899) 3.035 10.082 ( 0.150 2.362 1.899) 3.035 11.017 ( 3.651 -8.432 -1.447) 9.302 11.017 ( 3.651 -8.432 1.447) 9.302 11.055 ( 0.021 -5.880 -0.704) 5.922 11.055 ( 0.021 -5.880 0.704) 5.922 11.341 ( 2.009 -5.692 -3.754) 7.108 11.341 ( 2.009 -5.692 3.754) 7.108 11.515 ( 0.123 -2.158 -3.549) 4.156 11.515 ( 0.123 -2.158 3.549) 4.156 11.806 ( -5.040 1.826 -1.309) 5.518 11.806 ( -5.040 1.826 1.309) 5.518 12.188 ( 0.862 -16.452 -0.891) 16.498 12.188 ( 0.862 -16.452 0.891) 16.498 12.728 ( 0.739 3.689 -0.765) 3.839 12.728 ( 0.739 3.689 0.765) 3.839 12.891 ( 0.309 -1.998 -2.402) 3.139 12.891 ( 0.309 -1.998 2.402) 3.139 12.901 ( 1.024 0.929 -2.759) 3.086 12.901 ( 1.024 0.929 2.759) 3.086 13.054 ( -0.411 -5.033 -0.941) 5.137 13.054 ( -0.411 -5.033 0.941) 5.137 13.360 ( 0.373 3.603 -1.075) 3.779 13.360 ( 0.373 3.603 1.075) 3.779 13.508 ( -1.109 -1.991 -1.460) 2.706 13.508 ( -1.109 -1.991 1.460) 2.706 14.193 ( 2.223 4.838 -0.542) 5.351 14.193 ( 2.223 4.838 0.542) 5.351 14.405 ( -4.516 -1.406 -0.800) 4.797 14.405 ( -4.516 -1.406 0.800) 4.797 15.102 ( 1.860 9.441 -1.886) 9.806 15.102 ( 1.860 9.441 1.886) 9.806 15.287 ( -1.257 -0.054 -1.698) 2.113 15.287 ( -1.257 -0.054 1.698) 2.113 15.700 ( 4.873 -6.325 -1.974) 8.225 15.700 ( 4.873 -6.325 1.974) 8.225 15.822 ( -5.851 -8.436 -1.868) 10.435 15.822 ( -5.851 -8.436 1.868) 10.435 16.222 ( 6.957 2.984 -0.408) 7.580 16.222 ( 6.957 2.984 0.408) 7.580 16.366 ( -5.901 3.430 -0.528) 6.846 16.366 ( -5.901 3.430 0.528) 6.846 17.015 ( 9.748 0.126 -2.937) 10.182 17.015 ( 9.748 0.126 2.937) 10.182 17.194 ( -8.796 1.495 -3.044) 9.428 17.194 ( -8.796 1.495 3.044) 9.428 24.273 ( 6.256 -0.047 -0.780) 6.305 24.273 ( 6.256 -0.047 0.780) 6.305 24.388 ( -5.521 -0.161 -0.743) 5.573 24.388 ( -5.521 -0.161 0.743) 5.573 25.994 ( 2.553 -0.401 -0.817) 2.710 25.994 ( 2.553 -0.401 0.817) 2.710 26.096 ( -2.309 -3.199 -0.933) 4.054 26.096 ( -2.309 -3.199 0.933) 4.054 26.600 ( 4.123 1.764 -0.375) 4.501 26.600 ( 4.123 1.764 0.375) 4.501 26.735 ( -7.299 -0.103 -0.630) 7.327 26.735 ( -7.299 -0.103 0.630) 7.327 27.617 ( 8.022 10.168 -1.772) 13.072 27.617 ( 8.022 10.168 1.772) 13.072 27.997 ( -5.504 -3.173 -1.983) 6.656 27.997 ( -5.504 -3.173 1.983) 6.656 ======================= Grid point 265 (88/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 2.264 ( 0.000 0.000 -0.000) 0.000 2.264 ( 0.000 0.000 0.000) 0.000 2.435 ( 0.000 -0.000 0.000) 0.000 2.435 ( 0.000 -0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 -0.000) 0.000 3.776 ( 0.000 0.000 -0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 -0.000) 0.000 3.790 ( 0.000 -0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 4.627 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.072 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.702 ( 0.000 -0.000 0.000) 0.000 5.702 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.192 ( 0.000 0.000 0.000) 0.000 6.662 ( 0.000 0.000 -0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 7.653 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.326 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 9.962 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 10.119 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.824 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 10.981 ( 0.000 0.000 0.000) 0.000 11.146 ( 0.000 0.000 0.000) 0.000 11.146 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 11.700 ( 0.000 0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 11.828 ( 0.000 -0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.037 ( 0.000 0.000 0.000) 0.000 12.691 ( 0.000 -0.000 0.000) 0.000 12.691 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 12.819 ( 0.000 0.000 0.000) 0.000 12.910 ( 0.000 0.000 0.000) 0.000 12.910 ( 0.000 0.000 0.000) 0.000 13.024 ( 0.000 -0.000 0.000) 0.000 13.024 ( 0.000 -0.000 0.000) 0.000 13.384 ( 0.000 0.000 0.000) 0.000 13.384 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 13.529 ( 0.000 0.000 0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 14.172 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 14.624 ( 0.000 0.000 0.000) 0.000 15.057 ( 0.000 0.000 0.000) 0.000 15.057 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 -0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 15.642 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 15.873 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.064 ( 0.000 0.000 0.000) 0.000 16.489 ( 0.000 0.000 0.000) 0.000 16.489 ( 0.000 0.000 0.000) 0.000 16.794 ( 0.000 0.000 0.000) 0.000 16.794 ( 0.000 0.000 0.000) 0.000 17.402 ( 0.000 0.000 0.000) 0.000 17.402 ( 0.000 0.000 0.000) 0.000 24.128 ( 0.000 0.000 0.000) 0.000 24.128 ( 0.000 0.000 0.000) 0.000 24.499 ( 0.000 0.000 0.000) 0.000 24.499 ( 0.000 0.000 0.000) 0.000 25.915 ( 0.000 -0.000 0.000) 0.000 25.915 ( 0.000 0.000 0.000) 0.000 26.122 ( 0.000 0.000 0.000) 0.000 26.122 ( 0.000 0.000 0.000) 0.000 26.539 ( 0.000 0.000 0.000) 0.000 26.539 ( 0.000 0.000 0.000) 0.000 27.059 ( 0.000 -0.000 0.000) 0.000 27.059 ( 0.000 0.000 0.000) 0.000 27.301 ( 0.000 0.000 0.000) 0.000 27.301 ( 0.000 0.000 0.000) 0.000 28.173 ( 0.000 0.000 0.000) 0.000 28.173 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 269 (89/90) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 2.776 0.000 0.000) 2.776 1.990 ( 2.776 0.000 0.000) 2.776 2.238 ( -2.730 0.000 -0.000) 2.730 2.238 ( -2.730 0.000 0.000) 2.730 2.437 ( 0.152 -0.000 -0.000) 0.152 2.437 ( 0.152 -0.000 0.000) 0.152 2.472 ( -1.344 0.000 -0.000) 1.344 2.472 ( -1.344 0.000 0.000) 1.344 3.766 ( -0.917 0.000 -0.000) 0.917 3.766 ( -0.917 0.000 0.000) 0.917 3.770 ( -1.698 -0.000 -0.000) 1.698 3.770 ( -1.698 -0.000 0.000) 1.698 4.707 ( 7.668 0.000 0.000) 7.668 4.707 ( 7.668 0.000 0.000) 7.668 5.049 ( -2.414 0.000 0.000) 2.414 5.049 ( -2.414 0.000 0.000) 2.414 5.577 ( 2.381 0.000 0.000) 2.381 5.577 ( 2.381 0.000 0.000) 2.381 5.707 ( 0.314 -0.000 0.000) 0.314 5.707 ( 0.314 0.000 0.000) 0.314 6.169 ( -1.498 0.000 0.000) 1.498 6.169 ( -1.498 0.000 0.000) 1.498 6.557 ( -10.353 0.000 -0.000) 10.353 6.557 ( -10.353 0.000 0.000) 10.353 7.039 ( 9.622 0.000 0.000) 9.622 7.039 ( 9.622 0.000 0.000) 9.622 7.606 ( -5.142 0.000 0.000) 5.142 7.606 ( -5.142 0.000 0.000) 5.142 8.377 ( 5.130 0.000 0.000) 5.130 8.377 ( 5.130 0.000 0.000) 5.130 8.690 ( -2.616 0.000 0.000) 2.616 8.690 ( -2.616 0.000 0.000) 2.616 9.963 ( 0.189 0.000 0.000) 0.189 9.963 ( 0.189 0.000 0.000) 0.189 10.083 ( -3.316 -0.000 0.000) 3.316 10.083 ( -3.316 0.000 0.000) 3.316 10.854 ( 3.082 0.000 0.000) 3.082 10.854 ( 3.082 0.000 0.000) 3.082 10.997 ( 1.113 0.000 0.000) 1.113 10.997 ( 1.113 0.000 0.000) 1.113 11.200 ( 5.337 0.000 0.000) 5.337 11.200 ( 5.337 0.000 0.000) 5.337 11.632 ( -6.652 0.000 0.000) 6.652 11.632 ( -6.652 0.000 0.000) 6.652 11.828 ( 0.469 -0.000 0.000) 0.469 11.828 ( 0.469 0.000 0.000) 0.469 12.018 ( -2.211 -0.000 0.000) 2.211 12.018 ( -2.211 0.000 0.000) 2.211 12.719 ( 2.866 0.000 0.000) 2.866 12.719 ( 2.866 0.000 0.000) 2.866 12.849 ( 2.096 0.000 0.000) 2.096 12.849 ( 2.096 0.000 0.000) 2.096 12.907 ( 0.126 0.000 0.000) 0.126 12.907 ( 0.126 0.000 0.000) 0.126 13.013 ( -1.069 -0.000 0.000) 1.069 13.013 ( -1.069 -0.000 0.000) 1.069 13.389 ( 0.621 0.000 0.000) 0.621 13.389 ( 0.621 0.000 0.000) 0.621 13.515 ( -1.595 0.000 0.000) 1.595 13.515 ( -1.595 0.000 0.000) 1.595 14.188 ( 1.952 0.000 0.000) 1.952 14.188 ( 1.952 0.000 0.000) 1.952 14.536 ( -7.949 0.000 0.000) 7.949 14.536 ( -7.949 0.000 0.000) 7.949 15.113 ( 4.856 0.000 0.000) 4.856 15.113 ( 4.856 0.000 0.000) 4.856 15.307 ( 0.990 0.000 0.000) 0.990 15.307 ( 0.990 0.000 0.000) 0.990 15.613 ( -1.935 0.000 0.000) 1.935 15.613 ( -1.935 0.000 0.000) 1.935 15.832 ( -4.202 0.000 0.000) 4.202 15.832 ( -4.202 0.000 0.000) 4.202 16.120 ( 5.671 0.000 0.000) 5.671 16.120 ( 5.671 0.000 0.000) 5.671 16.482 ( -1.886 0.000 0.000) 1.886 16.482 ( -1.886 0.000 0.000) 1.886 16.850 ( 6.363 0.000 0.000) 6.363 16.850 ( 6.363 0.000 0.000) 6.363 17.351 ( -5.360 0.000 0.000) 5.360 17.351 ( -5.360 0.000 0.000) 5.360 24.170 ( 4.277 0.000 0.000) 4.277 24.170 ( 4.277 0.000 0.000) 4.277 24.469 ( -3.106 0.000 0.000) 3.106 24.469 ( -3.106 0.000 0.000) 3.106 25.937 ( 2.244 -0.000 0.000) 2.244 25.937 ( 2.244 0.000 0.000) 2.244 26.108 ( -1.597 0.000 0.000) 1.597 26.108 ( -1.597 0.000 0.000) 1.597 26.554 ( 1.736 0.000 0.000) 1.736 26.554 ( 1.736 0.000 0.000) 1.736 26.914 ( -10.342 -0.000 0.000) 10.342 26.914 ( -10.342 0.000 0.000) 10.342 27.474 ( 13.302 0.000 0.000) 13.302 27.474 ( 13.302 0.000 0.000) 13.302 28.116 ( -5.989 0.000 0.000) 5.989 28.116 ( -5.989 0.000 0.000) 5.989 ======================= Grid point 273 (90/90) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( 4.987 0.000 0.000) 4.987 2.065 ( 4.987 0.000 0.000) 4.987 2.163 ( -5.073 0.000 0.000) 5.073 2.163 ( -5.073 0.000 0.000) 5.073 2.440 ( 0.217 -0.000 0.000) 0.217 2.440 ( 0.217 -0.000 0.000) 0.217 2.449 ( -0.869 0.000 -0.000) 0.869 2.449 ( -0.869 0.000 -0.000) 0.869 3.745 ( -0.640 0.000 -0.000) 0.640 3.745 ( -0.640 0.000 0.000) 0.640 3.748 ( -0.774 -0.000 -0.000) 0.774 3.748 ( -0.774 -0.000 0.000) 0.774 4.864 ( 7.961 0.000 0.000) 7.961 4.864 ( 7.961 0.000 0.000) 7.961 4.983 ( -4.781 0.000 0.000) 4.781 4.983 ( -4.781 0.000 0.000) 4.781 5.642 ( 4.099 -0.000 0.000) 4.099 5.642 ( 4.099 0.000 0.000) 4.099 5.699 ( -1.548 -0.000 0.000) 1.548 5.699 ( -1.548 0.000 0.000) 1.548 6.181 ( 3.910 0.000 0.000) 3.910 6.181 ( 3.910 0.000 0.000) 3.910 6.333 ( -11.689 0.000 0.000) 11.689 6.333 ( -11.689 0.000 0.000) 11.689 7.252 ( 12.145 -0.000 0.000) 12.145 7.252 ( 12.145 0.000 0.000) 12.145 7.463 ( -9.889 -0.000 0.000) 9.889 7.463 ( -9.889 0.000 0.000) 9.889 8.496 ( 6.926 0.000 0.000) 6.926 8.496 ( 6.926 0.000 0.000) 6.926 8.615 ( -5.381 -0.000 0.000) 5.381 8.615 ( -5.381 0.000 0.000) 5.381 9.976 ( 1.376 -0.000 0.000) 1.376 9.976 ( 1.376 0.000 0.000) 1.376 10.018 ( -3.130 -0.000 0.000) 3.130 10.018 ( -3.130 0.000 0.000) 3.130 10.928 ( 4.398 0.000 0.000) 4.398 10.928 ( 4.398 0.000 0.000) 4.398 10.994 ( -1.992 0.000 0.000) 1.992 10.994 ( -1.992 0.000 0.000) 1.992 11.325 ( 7.744 0.000 0.000) 7.744 11.325 ( 7.744 0.000 0.000) 7.744 11.482 ( -8.715 0.000 0.000) 8.715 11.482 ( -8.715 0.000 0.000) 8.715 11.867 ( 3.845 -0.000 0.000) 3.845 11.867 ( 3.845 0.000 0.000) 3.845 11.953 ( -4.592 -0.000 0.000) 4.592 11.953 ( -4.592 0.000 0.000) 4.592 12.784 ( 3.665 0.000 0.000) 3.665 12.784 ( 3.665 0.000 0.000) 3.665 12.843 ( -2.331 0.000 0.000) 2.331 12.843 ( -2.331 0.000 0.000) 2.331 12.942 ( 2.787 0.000 0.000) 2.787 12.942 ( 2.787 0.000 0.000) 2.787 12.986 ( -1.863 -0.000 0.000) 1.863 12.986 ( -1.863 -0.000 0.000) 1.863 13.416 ( 2.408 0.000 0.000) 2.408 13.416 ( 2.408 0.000 0.000) 2.408 13.470 ( -2.980 0.000 0.000) 2.980 13.470 ( -2.980 0.000 0.000) 2.980 14.252 ( 5.080 0.000 0.000) 5.080 14.252 ( 5.080 0.000 0.000) 5.080 14.378 ( -8.116 -0.000 0.000) 8.116 14.378 ( -8.116 0.000 0.000) 8.116 15.209 ( 5.052 0.000 0.000) 5.052 15.209 ( 5.052 0.000 0.000) 5.052 15.290 ( -3.135 -0.000 0.000) 3.135 15.290 ( -3.135 -0.000 0.000) 3.135 15.626 ( 3.835 0.000 0.000) 3.835 15.626 ( 3.835 -0.000 0.000) 3.835 15.729 ( -6.277 0.000 0.000) 6.277 15.729 ( -6.277 0.000 0.000) 6.277 16.256 ( 8.144 0.000 0.000) 8.144 16.256 ( 8.144 0.000 0.000) 8.144 16.399 ( -6.614 0.000 0.000) 6.614 16.399 ( -6.614 0.000 0.000) 6.614 17.017 ( 10.530 0.000 0.000) 10.530 17.017 ( 10.530 0.000 0.000) 10.530 17.210 ( -9.410 0.000 0.000) 9.410 17.210 ( -9.410 0.000 0.000) 9.410 24.273 ( 6.272 0.000 0.000) 6.272 24.273 ( 6.272 0.000 0.000) 6.272 24.387 ( -5.549 0.000 0.000) 5.549 24.387 ( -5.549 0.000 0.000) 5.549 25.994 ( 3.616 -0.000 0.000) 3.616 25.994 ( 3.616 0.000 0.000) 3.616 26.061 ( -3.292 0.000 0.000) 3.292 26.061 ( -3.292 0.000 0.000) 3.292 26.613 ( 4.846 0.000 0.000) 4.846 26.613 ( 4.846 0.000 0.000) 4.846 26.736 ( -8.240 0.000 0.000) 8.240 26.736 ( -8.240 0.000 0.000) 8.240 27.729 ( 13.386 0.000 0.000) 13.386 27.729 ( 13.386 0.000 0.000) 13.386 27.957 ( -10.717 0.000 0.000) 10.717 27.957 ( -10.717 0.000 0.000) 10.717 =================== 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 3/38400 10.0 886.880 1043.519 970.127 0.000 0.000 0.000 3/38400 20.0 220.315 306.075 310.026 0.000 0.000 0.000 3/38400 30.0 109.281 171.034 168.596 0.000 0.000 0.000 3/38400 40.0 70.036 121.345 111.521 0.000 0.000 0.000 3/38400 50.0 50.808 94.405 81.163 0.000 0.000 0.000 3/38400 60.0 39.397 76.573 62.456 0.000 0.000 0.000 3/38400 70.0 31.702 63.439 49.680 0.000 0.000 0.000 3/38400 80.0 26.072 53.224 40.339 0.000 0.000 0.000 3/38400 90.0 21.760 45.086 33.245 0.000 0.000 0.000 3/38400 100.0 18.385 38.546 27.756 0.000 0.000 0.000 3/38400 110.0 15.715 33.273 23.469 0.000 0.000 0.000 3/38400 120.0 13.587 29.007 20.094 0.000 0.000 0.000 3/38400 130.0 11.878 25.538 17.415 0.000 0.000 0.000 3/38400 140.0 10.495 22.699 15.270 0.000 0.000 0.000 3/38400 150.0 9.364 20.356 13.533 0.000 0.000 0.000 3/38400 160.0 8.432 18.406 12.113 0.000 0.000 0.000 3/38400 170.0 7.655 16.768 10.938 0.000 0.000 0.000 3/38400 180.0 7.001 15.380 9.956 0.000 0.000 0.000 3/38400 190.0 6.446 14.193 9.127 0.000 0.000 0.000 3/38400 200.0 5.969 13.169 8.420 0.000 0.000 0.000 3/38400 210.0 5.558 12.280 7.812 0.000 0.000 0.000 3/38400 220.0 5.199 11.501 7.284 0.000 0.000 0.000 3/38400 230.0 4.884 10.815 6.823 0.000 0.000 0.000 3/38400 240.0 4.605 10.206 6.417 0.000 0.000 0.000 3/38400 250.0 4.357 9.663 6.057 0.000 0.000 0.000 3/38400 260.0 4.135 9.175 5.735 0.000 0.000 0.000 3/38400 270.0 3.936 8.735 5.447 0.000 0.000 0.000 3/38400 280.0 3.755 8.337 5.187 0.000 0.000 0.000 3/38400 290.0 3.591 7.974 4.952 0.000 0.000 0.000 3/38400 300.0 3.441 7.642 4.737 0.000 0.000 0.000 3/38400 310.0 3.304 7.338 4.542 0.000 0.000 0.000 3/38400 320.0 3.178 7.058 4.362 0.000 0.000 0.000 3/38400 330.0 3.061 6.800 4.196 0.000 0.000 0.000 3/38400 340.0 2.953 6.560 4.044 0.000 0.000 0.000 3/38400 350.0 2.853 6.337 3.902 0.000 0.000 0.000 3/38400 360.0 2.760 6.130 3.770 0.000 0.000 0.000 3/38400 370.0 2.673 5.936 3.648 0.000 0.000 0.000 3/38400 380.0 2.592 5.755 3.533 0.000 0.000 0.000 3/38400 390.0 2.515 5.585 3.426 0.000 0.000 0.000 3/38400 400.0 2.444 5.425 3.326 0.000 0.000 0.000 3/38400 410.0 2.376 5.274 3.231 0.000 0.000 0.000 3/38400 420.0 2.312 5.132 3.142 0.000 0.000 0.000 3/38400 430.0 2.252 4.998 3.058 0.000 0.000 0.000 3/38400 440.0 2.195 4.870 2.978 0.000 0.000 0.000 3/38400 450.0 2.141 4.750 2.903 0.000 0.000 0.000 3/38400 460.0 2.089 4.635 2.831 0.000 0.000 0.000 3/38400 470.0 2.040 4.526 2.764 0.000 0.000 0.000 3/38400 480.0 1.994 4.422 2.699 0.000 0.000 0.000 3/38400 490.0 1.949 4.323 2.638 0.000 0.000 0.000 3/38400 500.0 1.907 4.229 2.579 0.000 0.000 0.000 3/38400 510.0 1.866 4.139 2.523 0.000 0.000 0.000 3/38400 520.0 1.828 4.052 2.469 0.000 0.000 0.000 3/38400 530.0 1.791 3.970 2.418 0.000 0.000 0.000 3/38400 540.0 1.755 3.890 2.369 0.000 0.000 0.000 3/38400 550.0 1.721 3.814 2.322 0.000 0.000 0.000 3/38400 560.0 1.688 3.741 2.277 0.000 0.000 0.000 3/38400 570.0 1.656 3.671 2.234 0.000 0.000 0.000 3/38400 580.0 1.626 3.604 2.192 0.000 0.000 0.000 3/38400 590.0 1.597 3.538 2.152 0.000 0.000 0.000 3/38400 600.0 1.569 3.476 2.113 0.000 0.000 0.000 3/38400 610.0 1.542 3.415 2.076 0.000 0.000 0.000 3/38400 620.0 1.515 3.357 2.040 0.000 0.000 0.000 3/38400 630.0 1.490 3.301 2.006 0.000 0.000 0.000 3/38400 640.0 1.466 3.247 1.972 0.000 0.000 0.000 3/38400 650.0 1.442 3.194 1.940 0.000 0.000 0.000 3/38400 660.0 1.419 3.143 1.909 0.000 0.000 0.000 3/38400 670.0 1.397 3.094 1.879 0.000 0.000 0.000 3/38400 680.0 1.376 3.046 1.849 0.000 0.000 0.000 3/38400 690.0 1.355 3.000 1.821 0.000 0.000 0.000 3/38400 700.0 1.335 2.955 1.794 0.000 0.000 0.000 3/38400 710.0 1.315 2.912 1.767 0.000 0.000 0.000 3/38400 720.0 1.296 2.870 1.741 0.000 0.000 0.000 3/38400 730.0 1.278 2.829 1.716 0.000 0.000 0.000 3/38400 740.0 1.260 2.789 1.692 0.000 0.000 0.000 3/38400 750.0 1.242 2.751 1.668 0.000 0.000 0.000 3/38400 760.0 1.226 2.713 1.645 0.000 0.000 0.000 3/38400 770.0 1.209 2.677 1.623 0.000 0.000 0.000 3/38400 780.0 1.193 2.641 1.601 0.000 0.000 0.000 3/38400 790.0 1.178 2.607 1.580 0.000 0.000 0.000 3/38400 800.0 1.162 2.573 1.560 0.000 0.000 0.000 3/38400 810.0 1.148 2.540 1.540 0.000 0.000 0.000 3/38400 820.0 1.133 2.508 1.520 0.000 0.000 0.000 3/38400 830.0 1.119 2.477 1.501 0.000 0.000 0.000 3/38400 840.0 1.106 2.447 1.483 0.000 0.000 0.000 3/38400 850.0 1.092 2.417 1.465 0.000 0.000 0.000 3/38400 860.0 1.079 2.388 1.447 0.000 0.000 0.000 3/38400 870.0 1.067 2.360 1.430 0.000 0.000 0.000 3/38400 880.0 1.054 2.333 1.413 0.000 0.000 0.000 3/38400 890.0 1.042 2.306 1.397 0.000 0.000 0.000 3/38400 900.0 1.030 2.279 1.381 0.000 0.000 0.000 3/38400 910.0 1.019 2.254 1.365 0.000 0.000 0.000 3/38400 920.0 1.007 2.229 1.350 0.000 0.000 0.000 3/38400 930.0 0.996 2.204 1.335 0.000 0.000 0.000 3/38400 940.0 0.985 2.180 1.320 0.000 0.000 0.000 3/38400 950.0 0.975 2.157 1.306 0.000 0.000 0.000 3/38400 960.0 0.965 2.134 1.292 0.000 0.000 0.000 3/38400 970.0 0.954 2.111 1.278 0.000 0.000 0.000 3/38400 980.0 0.945 2.089 1.265 0.000 0.000 0.000 3/38400 990.0 0.935 2.068 1.252 0.000 0.000 0.000 3/38400 1000.0 0.925 2.047 1.239 0.000 0.000 0.000 3/38400 Thermal conductivity related properties were written into "kappa-m5810.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 13:34:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|