----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:14:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 72 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.938415749999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.398929000000000 Atomic positions (fractional): *1 C 0.62291960728575 0.75000000000000 0.88482310616776 12.011 2 C 0.87708039271425 0.25000000000000 0.38482310616776 12.011 3 C 0.12291960728575 0.75000000000000 0.61517689383224 12.011 4 C 0.37708039271425 0.25000000000000 0.11517689383224 12.011 *5 N 0.42326726998275 0.25000000000000 0.31836951478832 14.007 6 N 0.92326726998275 0.25000000000000 0.18163048521168 14.007 7 N 0.57673273001725 0.75000000000000 0.68163048521168 14.007 8 N 0.07673273001725 0.75000000000000 0.81836951478832 14.007 *9 N 0.32764177298383 0.25000000000000 0.91532325009431 14.007 10 N 0.67235822701617 0.75000000000000 0.08467674990569 14.007 11 N 0.17235822701617 0.75000000000000 0.41532325009431 14.007 12 N 0.82764177298383 0.25000000000000 0.58467674990569 14.007 *13 Sr 0.63103667964485 0.25000000000000 0.38692784803507 87.620 14 Sr 0.36896332035515 0.75000000000000 0.61307215196493 87.620 15 Sr 0.86896332035515 0.75000000000000 0.88692784803507 87.620 16 Sr 0.13103667964485 0.25000000000000 0.11307215196493 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.938415749999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.398929000000000 Atomic positions (fractional): *1 C 0.62291960728575 0.75000000000000 0.88482310616776 12.011 > 1 2 C 0.87708039271425 0.25000000000000 0.38482310616776 12.011 > 2 3 C 0.12291960728575 0.75000000000000 0.61517689383224 12.011 > 3 4 C 0.37708039271425 0.25000000000000 0.11517689383224 12.011 > 4 *5 N 0.42326726998275 0.25000000000000 0.31836951478832 14.007 > 5 6 N 0.92326726998275 0.25000000000000 0.18163048521168 14.007 > 6 7 N 0.57673273001725 0.75000000000000 0.68163048521168 14.007 > 7 8 N 0.07673273001725 0.75000000000000 0.81836951478832 14.007 > 8 *9 N 0.32764177298383 0.25000000000000 0.91532325009431 14.007 > 9 10 N 0.67235822701617 0.75000000000000 0.08467674990569 14.007 > 10 11 N 0.17235822701617 0.75000000000000 0.41532325009431 14.007 > 11 12 N 0.82764177298383 0.25000000000000 0.58467674990569 14.007 > 12 *13 Sr 0.63103667964485 0.25000000000000 0.38692784803507 87.620 > 13 14 Sr 0.36896332035515 0.75000000000000 0.61307215196493 87.620 > 14 15 Sr 0.86896332035515 0.75000000000000 0.88692784803507 87.620 > 15 16 Sr 0.13103667964485 0.25000000000000 0.11307215196493 87.620 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.815247249999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.196787000000000 Atomic positions (fractional): *1 C 0.62291960728575 0.25000000000000 0.29494103538925 12.011 > 1 2 C 0.62291960728575 0.58333333333333 0.29494103538925 12.011 > 1 3 C 0.62291960728575 0.91666666666667 0.29494103538925 12.011 > 1 4 C 0.62291960728575 0.25000000000000 0.62827436872259 12.011 > 1 5 C 0.62291960728575 0.58333333333333 0.62827436872259 12.011 > 1 6 C 0.62291960728575 0.91666666666667 0.62827436872259 12.011 > 1 7 C 0.62291960728575 0.25000000000000 0.96160770205592 12.011 > 1 8 C 0.62291960728575 0.58333333333333 0.96160770205592 12.011 > 1 9 C 0.62291960728575 0.91666666666667 0.96160770205592 12.011 > 1 10 C 0.87708039271425 0.08333333333333 0.12827436872259 12.011 > 2 11 C 0.87708039271425 0.41666666666667 0.12827436872259 12.011 > 2 12 C 0.87708039271425 0.75000000000000 0.12827436872259 12.011 > 2 13 C 0.87708039271425 0.08333333333333 0.46160770205592 12.011 > 2 14 C 0.87708039271425 0.41666666666667 0.46160770205592 12.011 > 2 15 C 0.87708039271425 0.75000000000000 0.46160770205592 12.011 > 2 16 C 0.87708039271425 0.08333333333333 0.79494103538925 12.011 > 2 17 C 0.87708039271425 0.41666666666667 0.79494103538925 12.011 > 2 18 C 0.87708039271425 0.75000000000000 0.79494103538925 12.011 > 2 19 C 0.12291960728575 0.25000000000000 0.20505896461075 12.011 > 3 20 C 0.12291960728575 0.58333333333333 0.20505896461075 12.011 > 3 21 C 0.12291960728575 0.91666666666667 0.20505896461075 12.011 > 3 22 C 0.12291960728575 0.25000000000000 0.53839229794408 12.011 > 3 23 C 0.12291960728575 0.58333333333333 0.53839229794408 12.011 > 3 24 C 0.12291960728575 0.91666666666667 0.53839229794408 12.011 > 3 25 C 0.12291960728575 0.25000000000000 0.87172563127741 12.011 > 3 26 C 0.12291960728575 0.58333333333333 0.87172563127741 12.011 > 3 27 C 0.12291960728575 0.91666666666667 0.87172563127741 12.011 > 3 28 C 0.37708039271425 0.08333333333333 0.03839229794408 12.011 > 4 29 C 0.37708039271425 0.41666666666667 0.03839229794408 12.011 > 4 30 C 0.37708039271425 0.75000000000000 0.03839229794408 12.011 > 4 31 C 0.37708039271425 0.08333333333333 0.37172563127741 12.011 > 4 32 C 0.37708039271425 0.41666666666667 0.37172563127741 12.011 > 4 33 C 0.37708039271425 0.75000000000000 0.37172563127741 12.011 > 4 34 C 0.37708039271425 0.08333333333333 0.70505896461075 12.011 > 4 35 C 0.37708039271425 0.41666666666667 0.70505896461075 12.011 > 4 36 C 0.37708039271425 0.75000000000000 0.70505896461075 12.011 > 4 *37 N 0.42326726998275 0.08333333333333 0.10612317159611 14.007 > 5 38 N 0.42326726998275 0.41666666666667 0.10612317159611 14.007 > 5 39 N 0.42326726998275 0.75000000000000 0.10612317159611 14.007 > 5 40 N 0.42326726998275 0.08333333333333 0.43945650492944 14.007 > 5 41 N 0.42326726998275 0.41666666666667 0.43945650492944 14.007 > 5 42 N 0.42326726998275 0.75000000000000 0.43945650492944 14.007 > 5 43 N 0.42326726998275 0.08333333333333 0.77278983826277 14.007 > 5 44 N 0.42326726998275 0.41666666666667 0.77278983826277 14.007 > 5 45 N 0.42326726998275 0.75000000000000 0.77278983826277 14.007 > 5 46 N 0.92326726998275 0.08333333333333 0.06054349507056 14.007 > 6 47 N 0.92326726998275 0.41666666666667 0.06054349507056 14.007 > 6 48 N 0.92326726998275 0.75000000000000 0.06054349507056 14.007 > 6 49 N 0.92326726998275 0.08333333333333 0.39387682840389 14.007 > 6 50 N 0.92326726998275 0.41666666666667 0.39387682840389 14.007 > 6 51 N 0.92326726998275 0.75000000000000 0.39387682840389 14.007 > 6 52 N 0.92326726998275 0.08333333333333 0.72721016173723 14.007 > 6 53 N 0.92326726998275 0.41666666666667 0.72721016173723 14.007 > 6 54 N 0.92326726998275 0.75000000000000 0.72721016173723 14.007 > 6 55 N 0.57673273001725 0.25000000000000 0.22721016173723 14.007 > 7 56 N 0.57673273001725 0.58333333333333 0.22721016173723 14.007 > 7 57 N 0.57673273001725 0.91666666666667 0.22721016173723 14.007 > 7 58 N 0.57673273001725 0.25000000000000 0.56054349507056 14.007 > 7 59 N 0.57673273001725 0.58333333333333 0.56054349507056 14.007 > 7 60 N 0.57673273001725 0.91666666666667 0.56054349507056 14.007 > 7 61 N 0.57673273001725 0.25000000000000 0.89387682840389 14.007 > 7 62 N 0.57673273001725 0.58333333333333 0.89387682840389 14.007 > 7 63 N 0.57673273001725 0.91666666666667 0.89387682840389 14.007 > 7 64 N 0.07673273001725 0.25000000000000 0.27278983826277 14.007 > 8 65 N 0.07673273001725 0.58333333333333 0.27278983826277 14.007 > 8 66 N 0.07673273001725 0.91666666666667 0.27278983826277 14.007 > 8 67 N 0.07673273001725 0.25000000000000 0.60612317159611 14.007 > 8 68 N 0.07673273001725 0.58333333333333 0.60612317159611 14.007 > 8 69 N 0.07673273001725 0.91666666666667 0.60612317159611 14.007 > 8 70 N 0.07673273001725 0.25000000000000 0.93945650492944 14.007 > 8 71 N 0.07673273001725 0.58333333333333 0.93945650492944 14.007 > 8 72 N 0.07673273001725 0.91666666666667 0.93945650492944 14.007 > 8 *73 N 0.32764177298383 0.08333333333333 0.30510775003144 14.007 > 9 74 N 0.32764177298383 0.41666666666667 0.30510775003144 14.007 > 9 75 N 0.32764177298383 0.75000000000000 0.30510775003144 14.007 > 9 76 N 0.32764177298383 0.08333333333333 0.63844108336477 14.007 > 9 77 N 0.32764177298383 0.41666666666667 0.63844108336477 14.007 > 9 78 N 0.32764177298383 0.75000000000000 0.63844108336477 14.007 > 9 79 N 0.32764177298383 0.08333333333333 0.97177441669810 14.007 > 9 80 N 0.32764177298383 0.41666666666667 0.97177441669810 14.007 > 9 81 N 0.32764177298383 0.75000000000000 0.97177441669810 14.007 > 9 82 N 0.67235822701617 0.25000000000000 0.02822558330190 14.007 > 10 83 N 0.67235822701617 0.58333333333333 0.02822558330190 14.007 > 10 84 N 0.67235822701617 0.91666666666667 0.02822558330190 14.007 > 10 85 N 0.67235822701617 0.25000000000000 0.36155891663523 14.007 > 10 86 N 0.67235822701617 0.58333333333333 0.36155891663523 14.007 > 10 87 N 0.67235822701617 0.91666666666667 0.36155891663523 14.007 > 10 88 N 0.67235822701617 0.25000000000000 0.69489224996856 14.007 > 10 89 N 0.67235822701617 0.58333333333333 0.69489224996856 14.007 > 10 90 N 0.67235822701617 0.91666666666667 0.69489224996856 14.007 > 10 91 N 0.17235822701617 0.25000000000000 0.13844108336477 14.007 > 11 92 N 0.17235822701617 0.58333333333333 0.13844108336477 14.007 > 11 93 N 0.17235822701617 0.91666666666667 0.13844108336477 14.007 > 11 94 N 0.17235822701617 0.25000000000000 0.47177441669810 14.007 > 11 95 N 0.17235822701617 0.58333333333333 0.47177441669810 14.007 > 11 96 N 0.17235822701617 0.91666666666667 0.47177441669810 14.007 > 11 97 N 0.17235822701617 0.25000000000000 0.80510775003144 14.007 > 11 98 N 0.17235822701617 0.58333333333333 0.80510775003144 14.007 > 11 99 N 0.17235822701617 0.91666666666667 0.80510775003144 14.007 > 11 100 N 0.82764177298383 0.08333333333333 0.19489224996856 14.007 > 12 101 N 0.82764177298383 0.41666666666667 0.19489224996856 14.007 > 12 102 N 0.82764177298383 0.75000000000000 0.19489224996856 14.007 > 12 103 N 0.82764177298383 0.08333333333333 0.52822558330190 14.007 > 12 104 N 0.82764177298383 0.41666666666667 0.52822558330190 14.007 > 12 105 N 0.82764177298383 0.75000000000000 0.52822558330190 14.007 > 12 106 N 0.82764177298383 0.08333333333333 0.86155891663523 14.007 > 12 107 N 0.82764177298383 0.41666666666667 0.86155891663523 14.007 > 12 108 N 0.82764177298383 0.75000000000000 0.86155891663523 14.007 > 12 *109 Sr 0.63103667964485 0.08333333333333 0.12897594934502 87.620 > 13 110 Sr 0.63103667964485 0.41666666666667 0.12897594934502 87.620 > 13 111 Sr 0.63103667964485 0.75000000000000 0.12897594934502 87.620 > 13 112 Sr 0.63103667964485 0.08333333333333 0.46230928267836 87.620 > 13 113 Sr 0.63103667964485 0.41666666666667 0.46230928267836 87.620 > 13 114 Sr 0.63103667964485 0.75000000000000 0.46230928267836 87.620 > 13 115 Sr 0.63103667964485 0.08333333333333 0.79564261601169 87.620 > 13 116 Sr 0.63103667964485 0.41666666666667 0.79564261601169 87.620 > 13 117 Sr 0.63103667964485 0.75000000000000 0.79564261601169 87.620 > 13 118 Sr 0.36896332035515 0.25000000000000 0.20435738398831 87.620 > 14 119 Sr 0.36896332035515 0.58333333333333 0.20435738398831 87.620 > 14 120 Sr 0.36896332035515 0.91666666666667 0.20435738398831 87.620 > 14 121 Sr 0.36896332035515 0.25000000000000 0.53769071732164 87.620 > 14 122 Sr 0.36896332035515 0.58333333333333 0.53769071732164 87.620 > 14 123 Sr 0.36896332035515 0.91666666666667 0.53769071732164 87.620 > 14 124 Sr 0.36896332035515 0.25000000000000 0.87102405065498 87.620 > 14 125 Sr 0.36896332035515 0.58333333333333 0.87102405065498 87.620 > 14 126 Sr 0.36896332035515 0.91666666666667 0.87102405065498 87.620 > 14 127 Sr 0.86896332035515 0.25000000000000 0.29564261601169 87.620 > 15 128 Sr 0.86896332035515 0.58333333333333 0.29564261601169 87.620 > 15 129 Sr 0.86896332035515 0.91666666666667 0.29564261601169 87.620 > 15 130 Sr 0.86896332035515 0.25000000000000 0.62897594934502 87.620 > 15 131 Sr 0.86896332035515 0.58333333333333 0.62897594934502 87.620 > 15 132 Sr 0.86896332035515 0.91666666666667 0.62897594934502 87.620 > 15 133 Sr 0.86896332035515 0.25000000000000 0.96230928267836 87.620 > 15 134 Sr 0.86896332035515 0.58333333333333 0.96230928267836 87.620 > 15 135 Sr 0.86896332035515 0.91666666666667 0.96230928267836 87.620 > 15 136 Sr 0.13103667964485 0.08333333333333 0.03769071732164 87.620 > 16 137 Sr 0.13103667964485 0.41666666666667 0.03769071732164 87.620 > 16 138 Sr 0.13103667964485 0.75000000000000 0.03769071732164 87.620 > 16 139 Sr 0.13103667964485 0.08333333333333 0.37102405065498 87.620 > 16 140 Sr 0.13103667964485 0.41666666666667 0.37102405065498 87.620 > 16 141 Sr 0.13103667964485 0.75000000000000 0.37102405065498 87.620 > 16 142 Sr 0.13103667964485 0.08333333333333 0.70435738398831 87.620 > 16 143 Sr 0.13103667964485 0.41666666666667 0.70435738398831 87.620 > 16 144 Sr 0.13103667964485 0.75000000000000 0.70435738398831 87.620 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1263011 0.0000000 0.0000000 0.0000000 2.7360937 0.0000000 0.0000000 0.0000000 3.9573954 -------------------------- Born effective charges -------------------------- 1 C 0.7684612 0.0000000 1.8612572 0.0000000 -0.2383881 0.0000000 1.8939841 0.0000000 3.2132013 2 C 0.7684612 0.0000000 -1.8612572 0.0000000 -0.2383881 0.0000000 -1.8939841 0.0000000 3.2132013 3 C 0.7684612 0.0000000 -1.8612572 0.0000000 -0.2383881 0.0000000 -1.8939841 0.0000000 3.2132013 4 C 0.7684612 0.0000000 1.8612572 0.0000000 -0.2383881 0.0000000 1.8939841 0.0000000 3.2132013 5 N -1.6960406 0.0000000 -0.9716454 0.0000000 -1.0929258 0.0000000 -0.6219015 0.0000000 -2.9415017 6 N -1.6960406 0.0000000 0.9716454 0.0000000 -1.0929258 0.0000000 0.6219015 0.0000000 -2.9415017 7 N -1.6960406 0.0000000 -0.9716454 0.0000000 -1.0929258 0.0000000 -0.6219015 0.0000000 -2.9415017 8 N -1.6960406 0.0000000 0.9716454 0.0000000 -1.0929258 0.0000000 0.6219015 0.0000000 -2.9415017 9 N -1.6029193 0.0000000 -0.8532025 0.0000000 -1.1240702 0.0000000 -0.7604511 0.0000000 -2.8622003 10 N -1.6029193 0.0000000 -0.8532025 0.0000000 -1.1240702 0.0000000 -0.7604511 0.0000000 -2.8622003 11 N -1.6029193 0.0000000 0.8532025 0.0000000 -1.1240702 0.0000000 0.7604511 0.0000000 -2.8622003 12 N -1.6029193 0.0000000 0.8532025 0.0000000 -1.1240702 0.0000000 0.7604511 0.0000000 -2.8622003 13 Sr 2.5304987 0.0000000 0.2554131 0.0000000 2.4553841 0.0000000 -0.4137467 0.0000000 2.5905007 14 Sr 2.5304987 0.0000000 0.2554131 0.0000000 2.4553841 0.0000000 -0.4137467 0.0000000 2.5905007 15 Sr 2.5304987 0.0000000 -0.2554131 0.0000000 2.4553841 0.0000000 0.4137467 0.0000000 2.5905007 16 Sr 2.5304987 0.0000000 -0.2554131 0.0000000 2.4553841 0.0000000 0.4137467 0.0000000 2.5905007 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 240 - Time: 2.443 Solver_block: 200 / 240 - Time: 2.443 Solver_block: 240 / 240 - Time: 1.050 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.968 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 10920/10920 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1440 Number of blocks in projector: 1440 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: 384 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 224 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 192 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 192 Use standard eigh solver. Tree of FC basis block matrices: - (1440, 1420), data: False |-- (192, 192), data: True |-- (192, 192), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (224, 220), data: True |-- (384, 376), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 23:14:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:23]------------------------- 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 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.938415749999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.398929000000000 Atomic positions (fractional): 1 C 0.62291960728575 0.75000000000000 0.88482310616776 12.011 2 C 0.87708039271425 0.25000000000000 0.38482310616776 12.011 3 C 0.12291960728575 0.75000000000000 0.61517689383224 12.011 4 C 0.37708039271425 0.25000000000000 0.11517689383224 12.011 5 N 0.42326726998275 0.25000000000000 0.31836951478832 14.007 6 N 0.92326726998275 0.25000000000000 0.18163048521168 14.007 7 N 0.57673273001725 0.75000000000000 0.68163048521168 14.007 8 N 0.07673273001725 0.75000000000000 0.81836951478832 14.007 9 N 0.32764177298383 0.25000000000000 0.91532325009431 14.007 10 N 0.67235822701617 0.75000000000000 0.08467674990569 14.007 11 N 0.17235822701617 0.75000000000000 0.41532325009431 14.007 12 N 0.82764177298383 0.25000000000000 0.58467674990569 14.007 13 Sr 0.63103667964485 0.25000000000000 0.38692784803507 87.620 14 Sr 0.36896332035515 0.75000000000000 0.61307215196493 87.620 15 Sr 0.86896332035515 0.75000000000000 0.88692784803507 87.620 16 Sr 0.13103667964485 0.25000000000000 0.11307215196493 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.815247249999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.196787000000000 Atomic positions (fractional): 1 C 0.62291960728575 0.25000000000000 0.29494103538925 12.011 > 1 2 C 0.62291960728575 0.58333333333333 0.29494103538925 12.011 > 1 3 C 0.62291960728575 0.91666666666667 0.29494103538925 12.011 > 1 4 C 0.62291960728575 0.25000000000000 0.62827436872259 12.011 > 1 5 C 0.62291960728575 0.58333333333333 0.62827436872259 12.011 > 1 6 C 0.62291960728575 0.91666666666667 0.62827436872259 12.011 > 1 7 C 0.62291960728575 0.25000000000000 0.96160770205592 12.011 > 1 8 C 0.62291960728575 0.58333333333333 0.96160770205592 12.011 > 1 9 C 0.62291960728575 0.91666666666667 0.96160770205592 12.011 > 1 10 C 0.87708039271425 0.08333333333333 0.12827436872259 12.011 > 10 11 C 0.87708039271425 0.41666666666667 0.12827436872259 12.011 > 10 12 C 0.87708039271425 0.75000000000000 0.12827436872259 12.011 > 10 13 C 0.87708039271425 0.08333333333333 0.46160770205592 12.011 > 10 14 C 0.87708039271425 0.41666666666667 0.46160770205592 12.011 > 10 15 C 0.87708039271425 0.75000000000000 0.46160770205592 12.011 > 10 16 C 0.87708039271425 0.08333333333333 0.79494103538925 12.011 > 10 17 C 0.87708039271425 0.41666666666667 0.79494103538925 12.011 > 10 18 C 0.87708039271425 0.75000000000000 0.79494103538925 12.011 > 10 19 C 0.12291960728575 0.25000000000000 0.20505896461075 12.011 > 19 20 C 0.12291960728575 0.58333333333333 0.20505896461075 12.011 > 19 21 C 0.12291960728575 0.91666666666667 0.20505896461075 12.011 > 19 22 C 0.12291960728575 0.25000000000000 0.53839229794408 12.011 > 19 23 C 0.12291960728575 0.58333333333333 0.53839229794408 12.011 > 19 24 C 0.12291960728575 0.91666666666667 0.53839229794408 12.011 > 19 25 C 0.12291960728575 0.25000000000000 0.87172563127741 12.011 > 19 26 C 0.12291960728575 0.58333333333333 0.87172563127741 12.011 > 19 27 C 0.12291960728575 0.91666666666667 0.87172563127741 12.011 > 19 28 C 0.37708039271425 0.08333333333333 0.03839229794408 12.011 > 28 29 C 0.37708039271425 0.41666666666667 0.03839229794408 12.011 > 28 30 C 0.37708039271425 0.75000000000000 0.03839229794408 12.011 > 28 31 C 0.37708039271425 0.08333333333333 0.37172563127741 12.011 > 28 32 C 0.37708039271425 0.41666666666667 0.37172563127741 12.011 > 28 33 C 0.37708039271425 0.75000000000000 0.37172563127741 12.011 > 28 34 C 0.37708039271425 0.08333333333333 0.70505896461075 12.011 > 28 35 C 0.37708039271425 0.41666666666667 0.70505896461075 12.011 > 28 36 C 0.37708039271425 0.75000000000000 0.70505896461075 12.011 > 28 37 N 0.42326726998275 0.08333333333333 0.10612317159611 14.007 > 37 38 N 0.42326726998275 0.41666666666667 0.10612317159611 14.007 > 37 39 N 0.42326726998275 0.75000000000000 0.10612317159611 14.007 > 37 40 N 0.42326726998275 0.08333333333333 0.43945650492944 14.007 > 37 41 N 0.42326726998275 0.41666666666667 0.43945650492944 14.007 > 37 42 N 0.42326726998275 0.75000000000000 0.43945650492944 14.007 > 37 43 N 0.42326726998275 0.08333333333333 0.77278983826277 14.007 > 37 44 N 0.42326726998275 0.41666666666667 0.77278983826277 14.007 > 37 45 N 0.42326726998275 0.75000000000000 0.77278983826277 14.007 > 37 46 N 0.92326726998275 0.08333333333333 0.06054349507056 14.007 > 46 47 N 0.92326726998275 0.41666666666667 0.06054349507056 14.007 > 46 48 N 0.92326726998275 0.75000000000000 0.06054349507056 14.007 > 46 49 N 0.92326726998275 0.08333333333333 0.39387682840389 14.007 > 46 50 N 0.92326726998275 0.41666666666667 0.39387682840389 14.007 > 46 51 N 0.92326726998275 0.75000000000000 0.39387682840389 14.007 > 46 52 N 0.92326726998275 0.08333333333333 0.72721016173723 14.007 > 46 53 N 0.92326726998275 0.41666666666667 0.72721016173723 14.007 > 46 54 N 0.92326726998275 0.75000000000000 0.72721016173723 14.007 > 46 55 N 0.57673273001725 0.25000000000000 0.22721016173723 14.007 > 55 56 N 0.57673273001725 0.58333333333333 0.22721016173723 14.007 > 55 57 N 0.57673273001725 0.91666666666667 0.22721016173723 14.007 > 55 58 N 0.57673273001725 0.25000000000000 0.56054349507056 14.007 > 55 59 N 0.57673273001725 0.58333333333333 0.56054349507056 14.007 > 55 60 N 0.57673273001725 0.91666666666667 0.56054349507056 14.007 > 55 61 N 0.57673273001725 0.25000000000000 0.89387682840389 14.007 > 55 62 N 0.57673273001725 0.58333333333333 0.89387682840389 14.007 > 55 63 N 0.57673273001725 0.91666666666667 0.89387682840389 14.007 > 55 64 N 0.07673273001725 0.25000000000000 0.27278983826277 14.007 > 64 65 N 0.07673273001725 0.58333333333333 0.27278983826277 14.007 > 64 66 N 0.07673273001725 0.91666666666667 0.27278983826277 14.007 > 64 67 N 0.07673273001725 0.25000000000000 0.60612317159611 14.007 > 64 68 N 0.07673273001725 0.58333333333333 0.60612317159611 14.007 > 64 69 N 0.07673273001725 0.91666666666667 0.60612317159611 14.007 > 64 70 N 0.07673273001725 0.25000000000000 0.93945650492944 14.007 > 64 71 N 0.07673273001725 0.58333333333333 0.93945650492944 14.007 > 64 72 N 0.07673273001725 0.91666666666667 0.93945650492944 14.007 > 64 73 N 0.32764177298383 0.08333333333333 0.30510775003144 14.007 > 73 74 N 0.32764177298383 0.41666666666667 0.30510775003144 14.007 > 73 75 N 0.32764177298383 0.75000000000000 0.30510775003144 14.007 > 73 76 N 0.32764177298383 0.08333333333333 0.63844108336477 14.007 > 73 77 N 0.32764177298383 0.41666666666667 0.63844108336477 14.007 > 73 78 N 0.32764177298383 0.75000000000000 0.63844108336477 14.007 > 73 79 N 0.32764177298383 0.08333333333333 0.97177441669810 14.007 > 73 80 N 0.32764177298383 0.41666666666667 0.97177441669810 14.007 > 73 81 N 0.32764177298383 0.75000000000000 0.97177441669810 14.007 > 73 82 N 0.67235822701617 0.25000000000000 0.02822558330190 14.007 > 82 83 N 0.67235822701617 0.58333333333333 0.02822558330190 14.007 > 82 84 N 0.67235822701617 0.91666666666667 0.02822558330190 14.007 > 82 85 N 0.67235822701617 0.25000000000000 0.36155891663523 14.007 > 82 86 N 0.67235822701617 0.58333333333333 0.36155891663523 14.007 > 82 87 N 0.67235822701617 0.91666666666667 0.36155891663523 14.007 > 82 88 N 0.67235822701617 0.25000000000000 0.69489224996856 14.007 > 82 89 N 0.67235822701617 0.58333333333333 0.69489224996856 14.007 > 82 90 N 0.67235822701617 0.91666666666667 0.69489224996856 14.007 > 82 91 N 0.17235822701617 0.25000000000000 0.13844108336477 14.007 > 91 92 N 0.17235822701617 0.58333333333333 0.13844108336477 14.007 > 91 93 N 0.17235822701617 0.91666666666667 0.13844108336477 14.007 > 91 94 N 0.17235822701617 0.25000000000000 0.47177441669810 14.007 > 91 95 N 0.17235822701617 0.58333333333333 0.47177441669810 14.007 > 91 96 N 0.17235822701617 0.91666666666667 0.47177441669810 14.007 > 91 97 N 0.17235822701617 0.25000000000000 0.80510775003144 14.007 > 91 98 N 0.17235822701617 0.58333333333333 0.80510775003144 14.007 > 91 99 N 0.17235822701617 0.91666666666667 0.80510775003144 14.007 > 91 100 N 0.82764177298383 0.08333333333333 0.19489224996856 14.007 > 100 101 N 0.82764177298383 0.41666666666667 0.19489224996856 14.007 > 100 102 N 0.82764177298383 0.75000000000000 0.19489224996856 14.007 > 100 103 N 0.82764177298383 0.08333333333333 0.52822558330190 14.007 > 100 104 N 0.82764177298383 0.41666666666667 0.52822558330190 14.007 > 100 105 N 0.82764177298383 0.75000000000000 0.52822558330190 14.007 > 100 106 N 0.82764177298383 0.08333333333333 0.86155891663523 14.007 > 100 107 N 0.82764177298383 0.41666666666667 0.86155891663523 14.007 > 100 108 N 0.82764177298383 0.75000000000000 0.86155891663523 14.007 > 100 109 Sr 0.63103667964485 0.08333333333333 0.12897594934502 87.620 > 109 110 Sr 0.63103667964485 0.41666666666667 0.12897594934502 87.620 > 109 111 Sr 0.63103667964485 0.75000000000000 0.12897594934502 87.620 > 109 112 Sr 0.63103667964485 0.08333333333333 0.46230928267836 87.620 > 109 113 Sr 0.63103667964485 0.41666666666667 0.46230928267836 87.620 > 109 114 Sr 0.63103667964485 0.75000000000000 0.46230928267836 87.620 > 109 115 Sr 0.63103667964485 0.08333333333333 0.79564261601169 87.620 > 109 116 Sr 0.63103667964485 0.41666666666667 0.79564261601169 87.620 > 109 117 Sr 0.63103667964485 0.75000000000000 0.79564261601169 87.620 > 109 118 Sr 0.36896332035515 0.25000000000000 0.20435738398831 87.620 > 118 119 Sr 0.36896332035515 0.58333333333333 0.20435738398831 87.620 > 118 120 Sr 0.36896332035515 0.91666666666667 0.20435738398831 87.620 > 118 121 Sr 0.36896332035515 0.25000000000000 0.53769071732164 87.620 > 118 122 Sr 0.36896332035515 0.58333333333333 0.53769071732164 87.620 > 118 123 Sr 0.36896332035515 0.91666666666667 0.53769071732164 87.620 > 118 124 Sr 0.36896332035515 0.25000000000000 0.87102405065498 87.620 > 118 125 Sr 0.36896332035515 0.58333333333333 0.87102405065498 87.620 > 118 126 Sr 0.36896332035515 0.91666666666667 0.87102405065498 87.620 > 118 127 Sr 0.86896332035515 0.25000000000000 0.29564261601169 87.620 > 127 128 Sr 0.86896332035515 0.58333333333333 0.29564261601169 87.620 > 127 129 Sr 0.86896332035515 0.91666666666667 0.29564261601169 87.620 > 127 130 Sr 0.86896332035515 0.25000000000000 0.62897594934502 87.620 > 127 131 Sr 0.86896332035515 0.58333333333333 0.62897594934502 87.620 > 127 132 Sr 0.86896332035515 0.91666666666667 0.62897594934502 87.620 > 127 133 Sr 0.86896332035515 0.25000000000000 0.96230928267836 87.620 > 127 134 Sr 0.86896332035515 0.58333333333333 0.96230928267836 87.620 > 127 135 Sr 0.86896332035515 0.91666666666667 0.96230928267836 87.620 > 127 136 Sr 0.13103667964485 0.08333333333333 0.03769071732164 87.620 > 136 137 Sr 0.13103667964485 0.41666666666667 0.03769071732164 87.620 > 136 138 Sr 0.13103667964485 0.75000000000000 0.03769071732164 87.620 > 136 139 Sr 0.13103667964485 0.08333333333333 0.37102405065498 87.620 > 136 140 Sr 0.13103667964485 0.41666666666667 0.37102405065498 87.620 > 136 141 Sr 0.13103667964485 0.75000000000000 0.37102405065498 87.620 > 136 142 Sr 0.13103667964485 0.08333333333333 0.70435738398831 87.620 > 136 143 Sr 0.13103667964485 0.41666666666667 0.70435738398831 87.620 > 136 144 Sr 0.13103667964485 0.75000000000000 0.70435738398831 87.620 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1263011 0.0000000 0.0000000 0.0000000 2.7360937 0.0000000 0.0000000 0.0000000 3.9573954 -------------------------- Born effective charges -------------------------- 1 C 0.7684612 0.0000000 1.8612572 0.0000000 -0.2383881 0.0000000 1.8939841 0.0000000 3.2132013 2 C 0.7684612 0.0000000 -1.8612572 0.0000000 -0.2383881 0.0000000 -1.8939841 0.0000000 3.2132013 3 C 0.7684612 0.0000000 -1.8612572 0.0000000 -0.2383881 0.0000000 -1.8939841 0.0000000 3.2132013 4 C 0.7684612 0.0000000 1.8612572 0.0000000 -0.2383881 0.0000000 1.8939841 0.0000000 3.2132013 5 N -1.6960406 0.0000000 -0.9716454 0.0000000 -1.0929258 0.0000000 -0.6219015 0.0000000 -2.9415017 6 N -1.6960406 0.0000000 0.9716454 0.0000000 -1.0929258 0.0000000 0.6219015 0.0000000 -2.9415017 7 N -1.6960406 0.0000000 -0.9716454 0.0000000 -1.0929258 0.0000000 -0.6219015 0.0000000 -2.9415017 8 N -1.6960406 0.0000000 0.9716454 0.0000000 -1.0929258 0.0000000 0.6219015 0.0000000 -2.9415017 9 N -1.6029193 0.0000000 -0.8532025 0.0000000 -1.1240702 0.0000000 -0.7604511 0.0000000 -2.8622003 10 N -1.6029193 0.0000000 -0.8532025 0.0000000 -1.1240702 0.0000000 -0.7604511 0.0000000 -2.8622003 11 N -1.6029193 0.0000000 0.8532025 0.0000000 -1.1240702 0.0000000 0.7604511 0.0000000 -2.8622003 12 N -1.6029193 0.0000000 0.8532025 0.0000000 -1.1240702 0.0000000 0.7604511 0.0000000 -2.8622003 13 Sr 2.5304987 0.0000000 0.2554131 0.0000000 2.4553841 0.0000000 -0.4137467 0.0000000 2.5905007 14 Sr 2.5304987 0.0000000 0.2554131 0.0000000 2.4553841 0.0000000 -0.4137467 0.0000000 2.5905007 15 Sr 2.5304987 0.0000000 -0.2554131 0.0000000 2.4553841 0.0000000 0.4137467 0.0000000 2.5905007 16 Sr 2.5304987 0.0000000 -0.2554131 0.0000000 2.4553841 0.0000000 0.4137467 0.0000000 2.5905007 ---------------------------------------------------------------------------- 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[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:14:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:14:46]------------------------- 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 3 3] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 3.938415749999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.398929000000000 Atomic positions (fractional): 1 C 0.62291960728575 0.75000000000000 0.88482310616776 12.011 2 C 0.87708039271425 0.25000000000000 0.38482310616776 12.011 3 C 0.12291960728575 0.75000000000000 0.61517689383224 12.011 4 C 0.37708039271425 0.25000000000000 0.11517689383224 12.011 5 N 0.42326726998275 0.25000000000000 0.31836951478832 14.007 6 N 0.92326726998275 0.25000000000000 0.18163048521168 14.007 7 N 0.57673273001725 0.75000000000000 0.68163048521168 14.007 8 N 0.07673273001725 0.75000000000000 0.81836951478832 14.007 9 N 0.32764177298383 0.25000000000000 0.91532325009431 14.007 10 N 0.67235822701617 0.75000000000000 0.08467674990569 14.007 11 N 0.17235822701617 0.75000000000000 0.41532325009431 14.007 12 N 0.82764177298383 0.25000000000000 0.58467674990569 14.007 13 Sr 0.63103667964485 0.25000000000000 0.38692784803507 87.620 14 Sr 0.36896332035515 0.75000000000000 0.61307215196493 87.620 15 Sr 0.86896332035515 0.75000000000000 0.88692784803507 87.620 16 Sr 0.13103667964485 0.25000000000000 0.11307215196493 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.343743430000000 0.000000000000000 0.000000000000000 b 0.000000000000000 11.815247249999997 0.000000000000000 c 0.000000000000000 0.000000000000000 16.196787000000000 Atomic positions (fractional): 1 C 0.62291960728575 0.25000000000000 0.29494103538925 12.011 > 1 2 C 0.62291960728575 0.58333333333333 0.29494103538925 12.011 > 1 3 C 0.62291960728575 0.91666666666667 0.29494103538925 12.011 > 1 4 C 0.62291960728575 0.25000000000000 0.62827436872259 12.011 > 1 5 C 0.62291960728575 0.58333333333333 0.62827436872259 12.011 > 1 6 C 0.62291960728575 0.91666666666667 0.62827436872259 12.011 > 1 7 C 0.62291960728575 0.25000000000000 0.96160770205592 12.011 > 1 8 C 0.62291960728575 0.58333333333333 0.96160770205592 12.011 > 1 9 C 0.62291960728575 0.91666666666667 0.96160770205592 12.011 > 1 10 C 0.87708039271425 0.08333333333333 0.12827436872259 12.011 > 10 11 C 0.87708039271425 0.41666666666667 0.12827436872259 12.011 > 10 12 C 0.87708039271425 0.75000000000000 0.12827436872259 12.011 > 10 13 C 0.87708039271425 0.08333333333333 0.46160770205592 12.011 > 10 14 C 0.87708039271425 0.41666666666667 0.46160770205592 12.011 > 10 15 C 0.87708039271425 0.75000000000000 0.46160770205592 12.011 > 10 16 C 0.87708039271425 0.08333333333333 0.79494103538925 12.011 > 10 17 C 0.87708039271425 0.41666666666667 0.79494103538925 12.011 > 10 18 C 0.87708039271425 0.75000000000000 0.79494103538925 12.011 > 10 19 C 0.12291960728575 0.25000000000000 0.20505896461075 12.011 > 19 20 C 0.12291960728575 0.58333333333333 0.20505896461075 12.011 > 19 21 C 0.12291960728575 0.91666666666667 0.20505896461075 12.011 > 19 22 C 0.12291960728575 0.25000000000000 0.53839229794408 12.011 > 19 23 C 0.12291960728575 0.58333333333333 0.53839229794408 12.011 > 19 24 C 0.12291960728575 0.91666666666667 0.53839229794408 12.011 > 19 25 C 0.12291960728575 0.25000000000000 0.87172563127741 12.011 > 19 26 C 0.12291960728575 0.58333333333333 0.87172563127741 12.011 > 19 27 C 0.12291960728575 0.91666666666667 0.87172563127741 12.011 > 19 28 C 0.37708039271425 0.08333333333333 0.03839229794408 12.011 > 28 29 C 0.37708039271425 0.41666666666667 0.03839229794408 12.011 > 28 30 C 0.37708039271425 0.75000000000000 0.03839229794408 12.011 > 28 31 C 0.37708039271425 0.08333333333333 0.37172563127741 12.011 > 28 32 C 0.37708039271425 0.41666666666667 0.37172563127741 12.011 > 28 33 C 0.37708039271425 0.75000000000000 0.37172563127741 12.011 > 28 34 C 0.37708039271425 0.08333333333333 0.70505896461075 12.011 > 28 35 C 0.37708039271425 0.41666666666667 0.70505896461075 12.011 > 28 36 C 0.37708039271425 0.75000000000000 0.70505896461075 12.011 > 28 37 N 0.42326726998275 0.08333333333333 0.10612317159611 14.007 > 37 38 N 0.42326726998275 0.41666666666667 0.10612317159611 14.007 > 37 39 N 0.42326726998275 0.75000000000000 0.10612317159611 14.007 > 37 40 N 0.42326726998275 0.08333333333333 0.43945650492944 14.007 > 37 41 N 0.42326726998275 0.41666666666667 0.43945650492944 14.007 > 37 42 N 0.42326726998275 0.75000000000000 0.43945650492944 14.007 > 37 43 N 0.42326726998275 0.08333333333333 0.77278983826277 14.007 > 37 44 N 0.42326726998275 0.41666666666667 0.77278983826277 14.007 > 37 45 N 0.42326726998275 0.75000000000000 0.77278983826277 14.007 > 37 46 N 0.92326726998275 0.08333333333333 0.06054349507056 14.007 > 46 47 N 0.92326726998275 0.41666666666667 0.06054349507056 14.007 > 46 48 N 0.92326726998275 0.75000000000000 0.06054349507056 14.007 > 46 49 N 0.92326726998275 0.08333333333333 0.39387682840389 14.007 > 46 50 N 0.92326726998275 0.41666666666667 0.39387682840389 14.007 > 46 51 N 0.92326726998275 0.75000000000000 0.39387682840389 14.007 > 46 52 N 0.92326726998275 0.08333333333333 0.72721016173723 14.007 > 46 53 N 0.92326726998275 0.41666666666667 0.72721016173723 14.007 > 46 54 N 0.92326726998275 0.75000000000000 0.72721016173723 14.007 > 46 55 N 0.57673273001725 0.25000000000000 0.22721016173723 14.007 > 55 56 N 0.57673273001725 0.58333333333333 0.22721016173723 14.007 > 55 57 N 0.57673273001725 0.91666666666667 0.22721016173723 14.007 > 55 58 N 0.57673273001725 0.25000000000000 0.56054349507056 14.007 > 55 59 N 0.57673273001725 0.58333333333333 0.56054349507056 14.007 > 55 60 N 0.57673273001725 0.91666666666667 0.56054349507056 14.007 > 55 61 N 0.57673273001725 0.25000000000000 0.89387682840389 14.007 > 55 62 N 0.57673273001725 0.58333333333333 0.89387682840389 14.007 > 55 63 N 0.57673273001725 0.91666666666667 0.89387682840389 14.007 > 55 64 N 0.07673273001725 0.25000000000000 0.27278983826277 14.007 > 64 65 N 0.07673273001725 0.58333333333333 0.27278983826277 14.007 > 64 66 N 0.07673273001725 0.91666666666667 0.27278983826277 14.007 > 64 67 N 0.07673273001725 0.25000000000000 0.60612317159611 14.007 > 64 68 N 0.07673273001725 0.58333333333333 0.60612317159611 14.007 > 64 69 N 0.07673273001725 0.91666666666667 0.60612317159611 14.007 > 64 70 N 0.07673273001725 0.25000000000000 0.93945650492944 14.007 > 64 71 N 0.07673273001725 0.58333333333333 0.93945650492944 14.007 > 64 72 N 0.07673273001725 0.91666666666667 0.93945650492944 14.007 > 64 73 N 0.32764177298383 0.08333333333333 0.30510775003144 14.007 > 73 74 N 0.32764177298383 0.41666666666667 0.30510775003144 14.007 > 73 75 N 0.32764177298383 0.75000000000000 0.30510775003144 14.007 > 73 76 N 0.32764177298383 0.08333333333333 0.63844108336477 14.007 > 73 77 N 0.32764177298383 0.41666666666667 0.63844108336477 14.007 > 73 78 N 0.32764177298383 0.75000000000000 0.63844108336477 14.007 > 73 79 N 0.32764177298383 0.08333333333333 0.97177441669810 14.007 > 73 80 N 0.32764177298383 0.41666666666667 0.97177441669810 14.007 > 73 81 N 0.32764177298383 0.75000000000000 0.97177441669810 14.007 > 73 82 N 0.67235822701617 0.25000000000000 0.02822558330190 14.007 > 82 83 N 0.67235822701617 0.58333333333333 0.02822558330190 14.007 > 82 84 N 0.67235822701617 0.91666666666667 0.02822558330190 14.007 > 82 85 N 0.67235822701617 0.25000000000000 0.36155891663523 14.007 > 82 86 N 0.67235822701617 0.58333333333333 0.36155891663523 14.007 > 82 87 N 0.67235822701617 0.91666666666667 0.36155891663523 14.007 > 82 88 N 0.67235822701617 0.25000000000000 0.69489224996856 14.007 > 82 89 N 0.67235822701617 0.58333333333333 0.69489224996856 14.007 > 82 90 N 0.67235822701617 0.91666666666667 0.69489224996856 14.007 > 82 91 N 0.17235822701617 0.25000000000000 0.13844108336477 14.007 > 91 92 N 0.17235822701617 0.58333333333333 0.13844108336477 14.007 > 91 93 N 0.17235822701617 0.91666666666667 0.13844108336477 14.007 > 91 94 N 0.17235822701617 0.25000000000000 0.47177441669810 14.007 > 91 95 N 0.17235822701617 0.58333333333333 0.47177441669810 14.007 > 91 96 N 0.17235822701617 0.91666666666667 0.47177441669810 14.007 > 91 97 N 0.17235822701617 0.25000000000000 0.80510775003144 14.007 > 91 98 N 0.17235822701617 0.58333333333333 0.80510775003144 14.007 > 91 99 N 0.17235822701617 0.91666666666667 0.80510775003144 14.007 > 91 100 N 0.82764177298383 0.08333333333333 0.19489224996856 14.007 > 100 101 N 0.82764177298383 0.41666666666667 0.19489224996856 14.007 > 100 102 N 0.82764177298383 0.75000000000000 0.19489224996856 14.007 > 100 103 N 0.82764177298383 0.08333333333333 0.52822558330190 14.007 > 100 104 N 0.82764177298383 0.41666666666667 0.52822558330190 14.007 > 100 105 N 0.82764177298383 0.75000000000000 0.52822558330190 14.007 > 100 106 N 0.82764177298383 0.08333333333333 0.86155891663523 14.007 > 100 107 N 0.82764177298383 0.41666666666667 0.86155891663523 14.007 > 100 108 N 0.82764177298383 0.75000000000000 0.86155891663523 14.007 > 100 109 Sr 0.63103667964485 0.08333333333333 0.12897594934502 87.620 > 109 110 Sr 0.63103667964485 0.41666666666667 0.12897594934502 87.620 > 109 111 Sr 0.63103667964485 0.75000000000000 0.12897594934502 87.620 > 109 112 Sr 0.63103667964485 0.08333333333333 0.46230928267836 87.620 > 109 113 Sr 0.63103667964485 0.41666666666667 0.46230928267836 87.620 > 109 114 Sr 0.63103667964485 0.75000000000000 0.46230928267836 87.620 > 109 115 Sr 0.63103667964485 0.08333333333333 0.79564261601169 87.620 > 109 116 Sr 0.63103667964485 0.41666666666667 0.79564261601169 87.620 > 109 117 Sr 0.63103667964485 0.75000000000000 0.79564261601169 87.620 > 109 118 Sr 0.36896332035515 0.25000000000000 0.20435738398831 87.620 > 118 119 Sr 0.36896332035515 0.58333333333333 0.20435738398831 87.620 > 118 120 Sr 0.36896332035515 0.91666666666667 0.20435738398831 87.620 > 118 121 Sr 0.36896332035515 0.25000000000000 0.53769071732164 87.620 > 118 122 Sr 0.36896332035515 0.58333333333333 0.53769071732164 87.620 > 118 123 Sr 0.36896332035515 0.91666666666667 0.53769071732164 87.620 > 118 124 Sr 0.36896332035515 0.25000000000000 0.87102405065498 87.620 > 118 125 Sr 0.36896332035515 0.58333333333333 0.87102405065498 87.620 > 118 126 Sr 0.36896332035515 0.91666666666667 0.87102405065498 87.620 > 118 127 Sr 0.86896332035515 0.25000000000000 0.29564261601169 87.620 > 127 128 Sr 0.86896332035515 0.58333333333333 0.29564261601169 87.620 > 127 129 Sr 0.86896332035515 0.91666666666667 0.29564261601169 87.620 > 127 130 Sr 0.86896332035515 0.25000000000000 0.62897594934502 87.620 > 127 131 Sr 0.86896332035515 0.58333333333333 0.62897594934502 87.620 > 127 132 Sr 0.86896332035515 0.91666666666667 0.62897594934502 87.620 > 127 133 Sr 0.86896332035515 0.25000000000000 0.96230928267836 87.620 > 127 134 Sr 0.86896332035515 0.58333333333333 0.96230928267836 87.620 > 127 135 Sr 0.86896332035515 0.91666666666667 0.96230928267836 87.620 > 127 136 Sr 0.13103667964485 0.08333333333333 0.03769071732164 87.620 > 136 137 Sr 0.13103667964485 0.41666666666667 0.03769071732164 87.620 > 136 138 Sr 0.13103667964485 0.75000000000000 0.03769071732164 87.620 > 136 139 Sr 0.13103667964485 0.08333333333333 0.37102405065498 87.620 > 136 140 Sr 0.13103667964485 0.41666666666667 0.37102405065498 87.620 > 136 141 Sr 0.13103667964485 0.75000000000000 0.37102405065498 87.620 > 136 142 Sr 0.13103667964485 0.08333333333333 0.70435738398831 87.620 > 136 143 Sr 0.13103667964485 0.41666666666667 0.70435738398831 87.620 > 136 144 Sr 0.13103667964485 0.75000000000000 0.70435738398831 87.620 > 136 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1263011 0.0000000 0.0000000 0.0000000 2.7360937 0.0000000 0.0000000 0.0000000 3.9573954 -------------------------- Born effective charges -------------------------- 1 C 0.7684612 0.0000000 1.8612572 0.0000000 -0.2383881 0.0000000 1.8939841 0.0000000 3.2132013 2 C 0.7684612 0.0000000 -1.8612572 0.0000000 -0.2383881 0.0000000 -1.8939841 0.0000000 3.2132013 3 C 0.7684612 0.0000000 -1.8612572 0.0000000 -0.2383881 0.0000000 -1.8939841 0.0000000 3.2132013 4 C 0.7684612 0.0000000 1.8612572 0.0000000 -0.2383881 0.0000000 1.8939841 0.0000000 3.2132013 5 N -1.6960406 0.0000000 -0.9716454 0.0000000 -1.0929258 0.0000000 -0.6219015 0.0000000 -2.9415017 6 N -1.6960406 0.0000000 0.9716454 0.0000000 -1.0929258 0.0000000 0.6219015 0.0000000 -2.9415017 7 N -1.6960406 0.0000000 -0.9716454 0.0000000 -1.0929258 0.0000000 -0.6219015 0.0000000 -2.9415017 8 N -1.6960406 0.0000000 0.9716454 0.0000000 -1.0929258 0.0000000 0.6219015 0.0000000 -2.9415017 9 N -1.6029193 0.0000000 -0.8532025 0.0000000 -1.1240702 0.0000000 -0.7604511 0.0000000 -2.8622003 10 N -1.6029193 0.0000000 -0.8532025 0.0000000 -1.1240702 0.0000000 -0.7604511 0.0000000 -2.8622003 11 N -1.6029193 0.0000000 0.8532025 0.0000000 -1.1240702 0.0000000 0.7604511 0.0000000 -2.8622003 12 N -1.6029193 0.0000000 0.8532025 0.0000000 -1.1240702 0.0000000 0.7604511 0.0000000 -2.8622003 13 Sr 2.5304987 0.0000000 0.2554131 0.0000000 2.4553841 0.0000000 -0.4137467 0.0000000 2.5905007 14 Sr 2.5304987 0.0000000 0.2554131 0.0000000 2.4553841 0.0000000 -0.4137467 0.0000000 2.5905007 15 Sr 2.5304987 0.0000000 -0.2554131 0.0000000 2.4553841 0.0000000 0.4137467 0.0000000 2.5905007 16 Sr 2.5304987 0.0000000 -0.2554131 0.0000000 2.4553841 0.0000000 0.4137467 0.0000000 2.5905007 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 13 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.65, Number of G-points: 311, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/105) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 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 1.478 ( 0.000 0.000 0.000) 0.000 1.668 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.928 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.614 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.159 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.919 ( 0.000 0.000 0.000) 0.000 6.040 ( 0.000 0.000 0.000) 0.000 6.079 ( 0.000 0.000 0.000) 0.000 6.089 ( 0.000 0.000 0.000) 0.000 6.227 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.341 ( 0.000 0.000 0.000) 0.000 6.606 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.108 ( 0.000 0.000 0.000) 0.000 7.120 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.984 ( 0.000 0.000 0.000) 0.000 19.188 ( 0.000 0.000 0.000) 0.000 19.218 ( 0.000 0.000 0.000) 0.000 19.227 ( 0.000 0.000 0.000) 0.000 19.260 ( 0.000 0.000 0.000) 0.000 19.511 ( 0.000 0.000 0.000) 0.000 19.600 ( 0.000 0.000 0.000) 0.000 19.611 ( 0.000 0.000 0.000) 0.000 19.732 ( 0.000 0.000 0.000) 0.000 38.337 ( 0.000 0.000 0.000) 0.000 38.338 ( 0.000 0.000 0.000) 0.000 38.374 ( 0.000 0.000 0.000) 0.000 38.381 ( 0.000 0.000 0.000) 0.000 60.861 ( 0.000 0.000 0.000) 0.000 61.465 ( 0.000 0.000 0.000) 0.000 61.781 ( 0.000 0.000 0.000) 0.000 61.908 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/105) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 22.193 0.000 0.000) 22.193 0.479 ( 23.458 0.000 0.000) 23.458 1.085 ( 52.444 0.000 0.000) 52.444 1.267 ( -16.347 0.000 0.000) 16.347 1.378 ( -19.935 0.000 0.000) 19.935 1.969 ( 9.470 0.000 0.000) 9.470 2.169 ( 13.783 0.000 0.000) 13.783 2.250 ( -3.608 0.000 0.000) 3.608 2.563 ( -5.138 0.000 0.000) 5.138 2.963 ( -36.240 0.000 0.000) 36.240 4.213 ( 4.678 0.000 0.000) 4.678 4.235 ( 8.598 0.000 0.000) 8.598 5.829 ( -0.492 0.000 0.000) 0.492 5.921 ( -6.015 0.000 0.000) 6.015 6.102 ( 1.278 0.000 0.000) 1.278 6.179 ( 4.717 0.000 0.000) 4.717 6.189 ( -2.581 0.000 0.000) 2.581 6.287 ( -0.929 0.000 0.000) 0.929 6.296 ( 1.657 0.000 0.000) 1.657 6.337 ( -0.400 0.000 0.000) 0.400 6.896 ( 1.152 0.000 0.000) 1.152 6.949 ( 0.390 0.000 0.000) 0.390 6.957 ( -1.229 0.000 0.000) 1.229 7.022 ( -4.295 0.000 0.000) 4.295 7.123 ( 0.237 0.000 0.000) 0.237 7.131 ( -0.110 0.000 0.000) 0.110 7.359 ( 8.995 0.000 0.000) 8.995 7.679 ( -5.206 0.000 0.000) 5.206 9.184 ( 1.233 0.000 0.000) 1.233 9.319 ( -2.943 0.000 0.000) 2.943 9.414 ( 12.078 0.000 0.000) 12.078 9.924 ( -8.869 0.000 0.000) 8.869 19.191 ( 0.239 0.000 0.000) 0.239 19.208 ( -0.581 0.000 0.000) 0.581 19.237 ( 0.627 0.000 0.000) 0.627 19.257 ( -0.285 0.000 0.000) 0.285 19.601 ( 0.068 0.000 0.000) 0.068 19.608 ( -0.249 0.000 0.000) 0.249 19.687 ( 0.869 0.000 0.000) 0.869 19.725 ( -0.662 0.000 0.000) 0.662 38.337 ( 0.006 0.000 0.000) 0.006 38.338 ( -0.042 0.000 0.000) 0.042 38.375 ( 0.111 0.000 0.000) 0.111 38.380 ( -0.076 0.000 0.000) 0.076 60.943 ( 7.965 0.000 0.000) 7.965 61.489 ( -16.827 0.000 0.000) 16.827 62.168 ( 13.887 0.000 0.000) 13.887 62.562 ( -5.017 0.000 0.000) 5.017 ======================= Grid point 2 (3/105) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -20.287 0.000 0.000) 20.287 0.890 ( 20.287 0.000 0.000) 20.287 0.945 ( -22.423 0.000 0.000) 22.423 0.945 ( 22.423 0.000 0.000) 22.423 2.100 ( -46.973 0.000 0.000) 46.973 2.100 ( 46.973 0.000 0.000) 46.973 2.141 ( -7.081 0.000 0.000) 7.081 2.141 ( 7.081 0.000 0.000) 7.081 2.414 ( -10.122 0.000 0.000) 10.122 2.414 ( 10.122 0.000 0.000) 10.122 4.298 ( -2.001 0.000 0.000) 2.001 4.298 ( 2.001 0.000 0.000) 2.001 5.838 ( -1.974 0.000 0.000) 1.974 5.838 ( 1.974 0.000 0.000) 1.974 6.138 ( -2.252 0.000 0.000) 2.252 6.138 ( 2.252 0.000 0.000) 2.252 6.252 ( -2.581 0.000 0.000) 2.581 6.252 ( 2.581 0.000 0.000) 2.581 6.323 ( -0.978 0.000 0.000) 0.978 6.323 ( 0.978 0.000 0.000) 0.978 6.926 ( -1.662 0.000 0.000) 1.662 6.926 ( 1.662 0.000 0.000) 1.662 6.965 ( -1.501 0.000 0.000) 1.501 6.965 ( 1.501 0.000 0.000) 1.501 7.128 ( -0.224 0.000 0.000) 0.224 7.128 ( 0.224 0.000 0.000) 0.224 7.538 ( -8.310 0.000 0.000) 8.310 7.538 ( 8.310 0.000 0.000) 8.310 9.244 ( -3.998 0.000 0.000) 3.998 9.244 ( 3.998 0.000 0.000) 3.998 9.686 ( -13.702 0.000 0.000) 13.702 9.686 ( 13.702 0.000 0.000) 13.702 19.198 ( -0.448 0.000 0.000) 0.448 19.198 ( 0.448 0.000 0.000) 0.448 19.249 ( -0.513 0.000 0.000) 0.513 19.249 ( 0.513 0.000 0.000) 0.513 19.603 ( -0.179 0.000 0.000) 0.179 19.603 ( 0.179 0.000 0.000) 0.179 19.707 ( -1.038 0.000 0.000) 1.038 19.707 ( 1.038 0.000 0.000) 1.038 38.338 ( -0.031 0.000 0.000) 0.031 38.338 ( 0.031 0.000 0.000) 0.031 38.378 ( -0.130 0.000 0.000) 0.130 38.378 ( 0.130 0.000 0.000) 0.130 61.171 ( -14.016 0.000 0.000) 14.016 61.171 ( 14.016 0.000 0.000) 14.016 62.411 ( -9.852 0.000 0.000) 9.852 62.411 ( 9.852 0.000 0.000) 9.852 ======================= Grid point 5 (4/105) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.397 ( 0.000 21.445 0.000) 21.445 0.448 ( 0.000 23.057 0.000) 23.057 0.967 ( 0.000 49.122 0.000) 49.122 1.710 ( 0.000 4.438 0.000) 4.438 1.750 ( 0.000 24.811 0.000) 24.811 1.935 ( 0.000 1.238 0.000) 1.238 1.987 ( 0.000 14.402 0.000) 14.402 2.556 ( 0.000 25.529 0.000) 25.529 2.636 ( 0.000 2.280 0.000) 2.280 3.471 ( 0.000 5.970 0.000) 5.970 4.060 ( 0.000 0.037 0.000) 0.037 4.130 ( 0.000 -2.923 0.000) 2.923 5.821 ( 0.000 -1.625 0.000) 1.625 5.900 ( 0.000 -1.877 0.000) 1.877 5.906 ( 0.000 -11.677 0.000) 11.677 5.914 ( 0.000 -9.945 0.000) 9.945 6.266 ( 0.000 2.182 0.000) 2.182 6.394 ( 0.000 5.263 0.000) 5.263 6.397 ( 0.000 7.306 0.000) 7.306 6.600 ( 0.000 -0.452 0.000) 0.452 6.874 ( 0.000 -5.012 0.000) 5.012 6.909 ( 0.000 2.573 0.000) 2.573 7.018 ( 0.000 4.563 0.000) 4.563 7.135 ( 0.000 1.478 0.000) 1.478 7.183 ( 0.000 6.489 0.000) 6.489 7.203 ( 0.000 8.348 0.000) 8.348 7.290 ( 0.000 5.273 0.000) 5.273 7.727 ( 0.000 -0.751 0.000) 0.751 9.161 ( 0.000 -4.355 0.000) 4.355 9.211 ( 0.000 -3.782 0.000) 3.782 9.368 ( 0.000 -3.349 0.000) 3.349 9.916 ( 0.000 -6.835 0.000) 6.835 19.204 ( 0.000 1.530 0.000) 1.530 19.238 ( 0.000 1.074 0.000) 1.074 19.271 ( 0.000 1.108 0.000) 1.108 19.485 ( 0.000 -0.059 0.000) 0.059 19.513 ( 0.000 0.212 0.000) 0.212 19.599 ( 0.000 -0.142 0.000) 0.142 19.611 ( 0.000 0.001 0.000) 0.001 19.726 ( 0.000 -0.610 0.000) 0.610 38.335 ( 0.000 -0.195 0.000) 0.195 38.337 ( 0.000 -0.083 0.000) 0.083 38.372 ( 0.000 -0.229 0.000) 0.229 38.378 ( 0.000 -0.303 0.000) 0.303 60.856 ( 0.000 -0.485 0.000) 0.485 61.441 ( 0.000 -2.410 0.000) 2.410 61.730 ( 0.000 -4.984 0.000) 4.984 61.856 ( 0.000 -5.049 0.000) 5.049 ======================= Grid point 6 (5/105) ======================= q-point: ( 0.25 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 17.608 13.302 0.000) 22.068 0.780 ( 18.553 19.851 0.000) 27.171 1.353 ( 24.913 21.714 0.000) 33.048 1.445 ( -6.644 13.229 0.000) 14.804 1.512 ( -16.489 21.203 0.000) 26.860 2.164 ( 10.432 18.378 0.000) 21.133 2.177 ( 14.058 1.590 0.000) 14.148 2.517 ( -3.775 24.891 0.000) 25.176 2.585 ( -5.017 2.399 0.000) 5.561 3.042 ( -33.600 8.854 0.000) 34.747 4.184 ( 4.687 -2.852 0.000) 5.487 4.221 ( 7.816 -1.107 0.000) 7.894 5.786 ( -1.286 -3.669 0.000) 3.887 5.833 ( -3.657 -7.565 0.000) 8.402 5.923 ( 0.921 -6.873 0.000) 6.935 5.948 ( 0.458 -12.633 0.000) 12.641 6.278 ( 1.183 2.008 0.000) 2.331 6.376 ( -2.879 3.956 0.000) 4.893 6.403 ( 0.488 7.213 0.000) 7.229 6.437 ( -4.402 5.641 0.000) 7.155 6.891 ( 0.916 -4.079 0.000) 4.180 6.917 ( 0.536 2.077 0.000) 2.145 7.009 ( -0.828 4.467 0.000) 4.544 7.045 ( -5.113 2.424 0.000) 5.659 7.184 ( -0.012 5.001 0.000) 5.001 7.191 ( 0.059 5.829 0.000) 5.830 7.446 ( 9.857 7.301 0.000) 12.267 7.753 ( -2.276 3.439 0.000) 4.124 9.150 ( 1.575 -3.383 0.000) 3.732 9.305 ( -4.210 -2.225 0.000) 4.762 9.364 ( 11.533 -4.992 0.000) 12.567 9.848 ( -7.721 -7.273 0.000) 10.607 19.208 ( 0.416 1.661 0.000) 1.712 19.236 ( -0.297 1.260 0.000) 1.294 19.269 ( -0.149 1.227 0.000) 1.236 19.303 ( -4.615 5.197 0.000) 6.950 19.598 ( 0.224 -0.973 0.000) 0.998 19.599 ( 0.003 -0.204 0.000) 0.204 19.659 ( 2.883 -1.665 0.000) 3.329 19.718 ( -0.698 -0.626 0.000) 0.938 38.335 ( 0.008 -0.193 0.000) 0.193 38.337 ( -0.043 -0.146 0.000) 0.152 38.371 ( 0.059 -0.313 0.000) 0.319 38.377 ( -0.103 -0.327 0.000) 0.342 60.936 ( 7.768 -0.690 0.000) 7.799 61.462 ( -15.905 -2.675 0.000) 16.129 62.030 ( 23.287 -31.156 0.000) 38.897 62.070 ( 10.571 -9.295 0.000) 14.076 ======================= Grid point 7 (6/105) ======================= q-point: (-0.50 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -16.140 8.209 0.000) 18.108 0.997 ( 16.140 8.209 0.000) 18.108 1.171 ( -13.889 20.170 0.000) 24.490 1.171 ( 13.889 20.170 0.000) 24.490 2.176 ( -31.181 12.331 0.000) 33.530 2.176 ( 31.181 12.331 0.000) 33.530 2.412 ( -9.287 15.357 0.000) 17.947 2.412 ( 9.287 15.357 0.000) 17.947 2.452 ( -4.079 11.180 0.000) 11.901 2.452 ( 4.079 11.180 0.000) 11.901 4.271 ( -2.322 -2.425 0.000) 3.358 4.271 ( 2.322 -2.425 0.000) 3.358 5.783 ( -1.048 -5.228 0.000) 5.332 5.783 ( 1.048 -5.228 0.000) 5.332 5.940 ( -0.882 -11.446 0.000) 11.480 5.940 ( 0.882 -11.446 0.000) 11.480 6.314 ( -2.350 1.876 0.000) 3.006 6.314 ( 2.350 1.876 0.000) 3.006 6.412 ( -0.340 6.810 0.000) 6.818 6.412 ( 0.340 6.810 0.000) 6.818 6.912 ( -1.090 -1.499 0.000) 1.853 6.912 ( 1.090 -1.499 0.000) 1.853 6.995 ( -0.018 3.648 0.000) 3.648 6.995 ( 0.018 3.648 0.000) 3.648 7.188 ( -0.276 5.254 0.000) 5.262 7.188 ( 0.276 5.254 0.000) 5.262 7.635 ( -8.317 7.258 0.000) 11.039 7.635 ( 8.317 7.258 0.000) 11.039 9.216 ( -4.303 -2.863 0.000) 5.168 9.216 ( 4.303 -2.863 0.000) 5.168 9.625 ( -13.129 -6.102 0.000) 14.477 9.625 ( 13.129 -6.102 0.000) 14.477 19.221 ( -0.903 1.975 0.000) 2.172 19.221 ( 0.903 1.975 0.000) 2.172 19.268 ( -0.177 1.940 0.000) 1.948 19.268 ( 0.177 1.940 0.000) 1.948 19.599 ( -0.021 -0.412 0.000) 0.413 19.599 ( 0.021 -0.412 0.000) 0.413 19.698 ( -1.338 -0.817 0.000) 1.568 19.698 ( 1.338 -0.817 0.000) 1.568 38.336 ( -0.035 -0.181 0.000) 0.185 38.336 ( 0.035 -0.181 0.000) 0.185 38.374 ( -0.156 -0.364 0.000) 0.395 38.374 ( 0.156 -0.364 0.000) 0.395 61.157 ( -13.549 -1.337 0.000) 13.614 61.157 ( 13.549 -1.337 0.000) 13.614 62.205 ( -1.525 -17.761 0.000) 17.827 62.205 ( 1.525 -17.761 0.000) 17.827 ======================= Grid point 10 (7/105) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 0.000 24.552 0.000) 24.552 0.898 ( 0.000 22.814 0.000) 22.814 1.798 ( 0.000 15.833 0.000) 15.833 1.957 ( 0.000 40.768 0.000) 40.768 1.995 ( 0.000 5.364 0.000) 5.364 2.289 ( 0.000 14.185 0.000) 14.185 2.304 ( 0.000 28.581 0.000) 28.581 2.705 ( 0.000 4.778 0.000) 4.778 3.188 ( 0.000 36.914 0.000) 36.914 3.694 ( 0.000 17.845 0.000) 17.845 4.047 ( 0.000 -5.456 0.000) 5.456 4.098 ( 0.000 5.186 0.000) 5.186 5.690 ( 0.000 -10.049 0.000) 10.049 5.714 ( 0.000 -9.814 0.000) 9.814 5.774 ( 0.000 -3.071 0.000) 3.071 5.849 ( 0.000 -3.224 0.000) 3.224 6.297 ( 0.000 1.200 0.000) 1.200 6.497 ( 0.000 3.049 0.000) 3.049 6.528 ( 0.000 7.353 0.000) 7.353 6.599 ( 0.000 1.079 0.000) 1.079 6.784 ( 0.000 -4.005 0.000) 4.005 6.979 ( 0.000 4.326 0.000) 4.326 7.131 ( 0.000 6.505 0.000) 6.505 7.200 ( 0.000 4.717 0.000) 4.717 7.309 ( 0.000 5.908 0.000) 5.908 7.377 ( 0.000 8.347 0.000) 8.347 7.387 ( 0.000 4.068 0.000) 4.068 7.707 ( 0.000 -1.117 0.000) 1.117 9.041 ( 0.000 -7.839 0.000) 7.839 9.106 ( 0.000 -6.764 0.000) 6.764 9.270 ( 0.000 -6.622 0.000) 6.622 9.724 ( 0.000 -12.575 0.000) 12.575 19.244 ( 0.000 2.507 0.000) 2.507 19.267 ( 0.000 1.899 0.000) 1.899 19.300 ( 0.000 1.796 0.000) 1.796 19.483 ( 0.000 -0.132 0.000) 0.132 19.519 ( 0.000 0.429 0.000) 0.429 19.596 ( 0.000 -0.150 0.000) 0.150 19.611 ( 0.000 -0.013 0.000) 0.013 19.709 ( 0.000 -1.029 0.000) 1.029 38.331 ( 0.000 -0.209 0.000) 0.209 38.335 ( 0.000 -0.130 0.000) 0.130 38.365 ( 0.000 -0.397 0.000) 0.397 38.370 ( 0.000 -0.447 0.000) 0.447 60.844 ( 0.000 -0.697 0.000) 0.697 61.373 ( 0.000 -4.374 0.000) 4.374 61.604 ( 0.000 -7.314 0.000) 7.314 61.727 ( 0.000 -7.649 0.000) 7.649 ======================= Grid point 11 (8/105) ======================= q-point: ( 0.25 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 10.504 21.104 0.000) 23.574 1.135 ( 18.547 17.794 0.000) 25.703 1.557 ( -15.618 10.736 0.000) 18.952 1.924 ( -19.074 17.995 0.000) 26.223 2.141 ( 18.782 42.369 0.000) 46.345 2.238 ( 14.364 5.185 0.000) 15.271 2.592 ( 6.802 20.012 0.000) 21.136 2.674 ( 1.180 9.959 0.000) 10.029 3.124 ( -5.942 34.554 0.000) 35.061 3.344 ( -25.974 22.347 0.000) 34.264 4.113 ( 5.701 -3.800 0.000) 6.851 4.224 ( 5.105 2.825 0.000) 5.835 5.670 ( -1.164 -8.439 0.000) 8.519 5.717 ( -4.020 -3.351 0.000) 5.233 5.729 ( 1.096 -9.564 0.000) 9.626 5.825 ( -2.541 -4.364 0.000) 5.050 6.304 ( 0.775 0.944 0.000) 1.222 6.436 ( -7.227 1.906 0.000) 7.474 6.513 ( 1.384 3.796 0.000) 4.040 6.555 ( -0.716 7.075 0.000) 7.111 6.822 ( 2.955 -2.416 0.000) 3.817 6.977 ( -1.142 4.130 0.000) 4.285 7.119 ( -1.129 6.329 0.000) 6.429 7.124 ( -5.122 5.419 0.000) 7.456 7.289 ( -0.570 4.953 0.000) 4.986 7.311 ( -0.257 5.869 0.000) 5.875 7.581 ( 9.591 5.632 0.000) 11.122 7.774 ( 2.684 -0.713 0.000) 2.777 9.054 ( 2.428 -6.445 0.000) 6.887 9.223 ( -4.038 -6.110 0.000) 7.324 9.226 ( 9.868 -8.851 0.000) 13.256 9.654 ( -6.992 -12.409 0.000) 14.243 19.250 ( 0.556 2.530 0.000) 2.591 19.267 ( -0.020 1.929 0.000) 1.929 19.302 ( 0.194 1.961 0.000) 1.970 19.381 ( -4.815 2.862 0.000) 5.601 19.577 ( 1.292 -1.023 0.000) 1.648 19.594 ( -0.152 -0.240 0.000) 0.284 19.638 ( 2.387 -0.626 0.000) 2.467 19.702 ( -0.713 -1.003 0.000) 1.230 38.331 ( 0.016 -0.206 0.000) 0.206 38.334 ( -0.096 -0.140 0.000) 0.170 38.364 ( -0.032 -0.394 0.000) 0.395 38.369 ( -0.128 -0.453 0.000) 0.471 60.919 ( 7.235 -1.017 0.000) 7.306 61.392 ( -13.614 -4.189 0.000) 14.243 61.606 ( 16.548 -14.504 0.000) 22.004 61.850 ( 4.738 -12.184 0.000) 13.073 ======================= Grid point 12 (9/105) ======================= q-point: (-0.50 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.231 ( -15.081 15.579 0.000) 21.683 1.231 ( 15.081 15.579 0.000) 21.683 1.534 ( -19.237 15.730 0.000) 24.849 1.534 ( 19.237 15.730 0.000) 24.849 2.478 ( -10.535 7.195 0.000) 12.757 2.478 ( 10.535 7.195 0.000) 12.757 2.639 ( -22.238 28.338 0.000) 36.022 2.639 ( 22.238 28.338 0.000) 36.022 2.990 ( -3.067 30.914 0.000) 31.066 2.990 ( 3.067 30.914 0.000) 31.066 4.228 ( -4.111 -0.875 0.000) 4.203 4.228 ( 4.111 -0.875 0.000) 4.203 5.663 ( -0.939 -6.033 0.000) 6.105 5.663 ( 0.939 -6.033 0.000) 6.105 5.766 ( -2.642 -7.025 0.000) 7.505 5.766 ( 2.642 -7.025 0.000) 7.505 6.337 ( -2.797 0.862 0.000) 2.927 6.337 ( 2.797 0.862 0.000) 2.927 6.540 ( -1.056 5.673 0.000) 5.771 6.540 ( 1.056 5.673 0.000) 5.771 6.902 ( -4.844 1.265 0.000) 5.006 6.902 ( 4.844 1.265 0.000) 5.006 7.093 ( -0.995 5.842 0.000) 5.926 7.093 ( 0.995 5.842 0.000) 5.926 7.298 ( -0.829 5.420 0.000) 5.483 7.298 ( 0.829 5.420 0.000) 5.483 7.742 ( -5.533 3.065 0.000) 6.325 7.742 ( 5.533 3.065 0.000) 6.325 9.131 ( -4.619 -5.961 0.000) 7.541 9.131 ( 4.619 -5.961 0.000) 7.541 9.456 ( -11.653 -10.986 0.000) 16.015 9.456 ( 11.653 -10.986 0.000) 16.015 19.263 ( -0.516 2.256 0.000) 2.314 19.263 ( 0.516 2.256 0.000) 2.314 19.316 ( -1.653 2.714 0.000) 3.178 19.316 ( 1.653 2.714 0.000) 3.178 19.589 ( -0.331 -0.512 0.000) 0.610 19.589 ( 0.331 -0.512 0.000) 0.610 19.680 ( -1.543 -0.972 0.000) 1.823 19.680 ( 1.543 -0.972 0.000) 1.823 38.332 ( -0.070 -0.182 0.000) 0.195 38.332 ( 0.070 -0.182 0.000) 0.195 38.366 ( -0.139 -0.443 0.000) 0.464 38.366 ( 0.139 -0.443 0.000) 0.464 61.122 ( -12.326 -2.087 0.000) 12.502 61.122 ( 12.326 -2.087 0.000) 12.502 61.847 ( -5.798 -17.045 0.000) 18.004 61.847 ( 5.798 -17.045 0.000) 18.004 ======================= Grid point 15 (10/105) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.330 ( 0.000 21.222 0.000) 21.222 1.346 ( 0.000 26.177 0.000) 26.177 2.019 ( 0.000 11.396 0.000) 11.396 2.156 ( 0.000 11.256 0.000) 11.256 2.504 ( 0.000 8.204 0.000) 8.204 2.742 ( 0.000 12.702 0.000) 12.702 2.836 ( 0.000 10.273 0.000) 10.273 2.850 ( 0.000 45.187 0.000) 45.187 3.921 ( 0.000 -7.302 0.000) 7.302 3.929 ( 0.000 37.631 0.000) 37.631 4.161 ( 0.000 28.664 0.000) 28.664 4.314 ( 0.000 17.514 0.000) 17.514 5.515 ( 0.000 -8.018 0.000) 8.018 5.541 ( 0.000 -7.808 0.000) 7.808 5.704 ( 0.000 -4.062 0.000) 4.062 5.777 ( 0.000 -4.171 0.000) 4.171 6.321 ( 0.000 1.410 0.000) 1.410 6.530 ( 0.000 0.732 0.000) 0.732 6.587 ( 0.000 0.762 0.000) 0.762 6.719 ( 0.000 -2.592 0.000) 2.592 6.721 ( 0.000 8.908 0.000) 8.908 7.068 ( 0.000 4.493 0.000) 4.493 7.258 ( 0.000 6.208 0.000) 6.208 7.292 ( 0.000 3.791 0.000) 3.791 7.401 ( 0.000 3.330 0.000) 3.330 7.443 ( 0.000 2.136 0.000) 2.136 7.507 ( 0.000 4.918 0.000) 4.918 7.689 ( 0.000 -0.670 0.000) 0.670 8.862 ( 0.000 -10.250 0.000) 10.250 8.951 ( 0.000 -9.147 0.000) 9.147 9.111 ( 0.000 -9.579 0.000) 9.579 9.438 ( 0.000 -16.240 0.000) 16.240 19.297 ( 0.000 2.754 0.000) 2.754 19.309 ( 0.000 2.298 0.000) 2.298 19.338 ( 0.000 1.935 0.000) 1.935 19.480 ( 0.000 -0.240 0.000) 0.240 19.529 ( 0.000 0.647 0.000) 0.647 19.594 ( 0.000 -0.008 0.000) 0.008 19.610 ( 0.000 -0.062 0.000) 0.062 19.687 ( 0.000 -1.205 0.000) 1.205 38.328 ( 0.000 -0.066 0.000) 0.066 38.332 ( 0.000 -0.125 0.000) 0.125 38.357 ( 0.000 -0.468 0.000) 0.468 38.361 ( 0.000 -0.433 0.000) 0.433 60.832 ( 0.000 -0.455 0.000) 0.455 61.275 ( 0.000 -5.568 0.000) 5.568 61.463 ( 0.000 -6.841 0.000) 6.841 61.574 ( 0.000 -7.653 0.000) 7.653 ======================= Grid point 16 (11/105) ======================= q-point: ( 0.25 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 6.337 24.476 0.000) 25.283 1.486 ( 13.493 17.921 0.000) 22.432 1.826 ( -11.855 16.649 0.000) 20.438 2.195 ( -19.231 10.906 0.000) 22.108 2.357 ( 12.725 7.571 0.000) 14.807 2.771 ( -5.515 7.177 0.000) 9.051 2.992 ( 13.195 42.900 0.000) 44.883 3.036 ( 16.644 15.051 0.000) 22.441 3.701 ( -11.363 15.636 0.000) 19.329 3.877 ( -19.840 30.683 0.000) 36.539 4.139 ( 10.258 14.314 0.000) 17.610 4.396 ( 1.009 15.950 0.000) 15.982 5.519 ( 0.809 -6.851 0.000) 6.899 5.567 ( 2.472 -7.282 0.000) 7.690 5.648 ( -4.531 -3.815 0.000) 5.923 5.737 ( -3.959 -4.745 0.000) 6.179 6.325 ( 0.584 1.375 0.000) 1.494 6.469 ( -7.478 1.744 0.000) 7.679 6.557 ( 2.361 1.025 0.000) 2.574 6.664 ( -2.514 2.436 0.000) 3.501 6.831 ( 6.540 4.491 0.000) 7.934 7.073 ( -0.702 5.412 0.000) 5.457 7.239 ( -5.497 5.974 0.000) 8.118 7.242 ( -1.477 6.003 0.000) 6.182 7.356 ( -0.060 1.593 0.000) 1.594 7.406 ( -0.303 3.615 0.000) 3.628 7.657 ( 7.509 2.442 0.000) 7.896 7.747 ( 3.688 -1.591 0.000) 4.017 8.897 ( 3.279 -9.636 0.000) 10.179 9.029 ( 7.216 -11.070 0.000) 13.215 9.070 ( -3.700 -9.472 0.000) 10.169 9.375 ( -6.109 -15.768 0.000) 16.910 19.302 ( 0.430 2.674 0.000) 2.709 19.309 ( 0.036 2.301 0.000) 2.301 19.342 ( 0.502 2.041 0.000) 2.102 19.422 ( -3.462 1.515 0.000) 3.779 19.562 ( 1.387 -0.408 0.000) 1.446 19.590 ( -0.321 -0.093 0.000) 0.334 19.629 ( 1.629 -0.403 0.000) 1.678 19.681 ( -0.617 -1.129 0.000) 1.287 38.328 ( 0.018 -0.072 0.000) 0.074 38.331 ( -0.094 -0.107 0.000) 0.143 38.356 ( -0.025 -0.435 0.000) 0.435 38.360 ( -0.125 -0.430 0.000) 0.448 60.900 ( 6.548 -0.806 0.000) 6.597 61.308 ( -10.905 -4.168 0.000) 11.675 61.386 ( 9.222 -9.114 0.000) 12.966 61.623 ( 0.710 -10.602 0.000) 10.626 ======================= Grid point 17 (12/105) ======================= q-point: (-0.50 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -10.370 20.316 0.000) 22.810 1.588 ( 10.370 20.316 0.000) 22.810 1.817 ( -17.555 14.334 0.000) 22.664 1.817 ( 17.555 14.334 0.000) 22.664 2.603 ( -10.732 6.809 0.000) 12.710 2.603 ( 10.732 6.809 0.000) 12.710 3.262 ( -3.035 27.887 0.000) 28.052 3.262 ( 3.035 27.887 0.000) 28.052 3.536 ( -3.896 24.992 0.000) 25.294 3.536 ( 3.896 24.992 0.000) 25.294 4.325 ( -7.282 13.715 0.000) 15.529 4.325 ( 7.282 13.715 0.000) 15.529 5.561 ( -3.406 -4.693 0.000) 5.799 5.561 ( 3.406 -4.693 0.000) 5.799 5.641 ( -4.686 -6.006 0.000) 7.618 5.641 ( 4.686 -6.006 0.000) 7.618 6.359 ( -3.215 1.611 0.000) 3.596 6.359 ( 3.215 1.611 0.000) 3.596 6.612 ( -2.733 1.654 0.000) 3.195 6.612 ( 2.733 1.654 0.000) 3.195 6.977 ( -7.431 6.093 0.000) 9.610 6.977 ( 7.431 6.093 0.000) 9.610 7.206 ( -1.492 5.466 0.000) 5.666 7.206 ( 1.492 5.466 0.000) 5.666 7.383 ( -1.688 3.052 0.000) 3.487 7.383 ( 1.688 3.052 0.000) 3.487 7.764 ( -2.529 -0.138 0.000) 2.533 7.764 ( 2.529 -0.138 0.000) 2.533 8.981 ( -4.613 -9.392 0.000) 10.464 8.981 ( 4.613 -9.392 0.000) 10.464 9.209 ( -9.496 -13.959 0.000) 16.883 9.209 ( 9.496 -13.959 0.000) 16.883 19.309 ( -0.166 2.404 0.000) 2.410 19.309 ( 0.166 2.404 0.000) 2.410 19.365 ( -2.006 2.215 0.000) 2.989 19.365 ( 2.006 2.215 0.000) 2.989 19.581 ( -0.627 -0.298 0.000) 0.695 19.581 ( 0.627 -0.298 0.000) 0.695 19.661 ( -1.339 -0.905 0.000) 1.616 19.661 ( 1.339 -0.905 0.000) 1.616 38.329 ( -0.086 -0.084 0.000) 0.120 38.329 ( 0.086 -0.084 0.000) 0.120 38.357 ( -0.117 -0.422 0.000) 0.437 38.357 ( 0.117 -0.422 0.000) 0.437 61.081 ( -10.762 -1.980 0.000) 10.943 61.081 ( 10.762 -1.980 0.000) 10.943 61.563 ( -6.615 -12.186 0.000) 13.865 61.563 ( 6.615 -12.186 0.000) 13.865 ======================= Grid point 20 (13/105) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 0.000 18.346 0.000) 18.346 1.851 ( 0.000 24.981 0.000) 24.981 2.239 ( 0.000 10.431 0.000) 10.431 2.428 ( 0.000 16.155 0.000) 16.155 2.640 ( 0.000 6.482 0.000) 6.482 2.864 ( 0.000 2.862 0.000) 2.862 3.026 ( 0.000 6.846 0.000) 6.846 3.651 ( 0.000 24.668 0.000) 24.668 3.803 ( 0.000 6.995 0.000) 6.995 4.610 ( 0.000 30.828 0.000) 30.828 4.737 ( 0.000 22.938 0.000) 22.938 4.750 ( 0.000 30.066 0.000) 30.066 5.373 ( 0.000 -6.659 0.000) 6.659 5.422 ( 0.000 -3.585 0.000) 3.585 5.622 ( 0.000 -4.155 0.000) 4.155 5.688 ( 0.000 -4.816 0.000) 4.816 6.353 ( 0.000 1.819 0.000) 1.819 6.533 ( 0.000 -0.455 0.000) 0.455 6.603 ( 0.000 0.980 0.000) 0.980 6.681 ( 0.000 -1.402 0.000) 1.402 6.892 ( 0.000 8.495 0.000) 8.495 7.143 ( 0.000 2.859 0.000) 2.859 7.311 ( 0.000 -1.891 0.000) 1.891 7.366 ( 0.000 4.856 0.000) 4.856 7.435 ( 0.000 0.247 0.000) 0.247 7.510 ( 0.000 5.165 0.000) 5.165 7.583 ( 0.000 3.626 0.000) 3.626 7.683 ( 0.000 -0.081 0.000) 0.081 8.644 ( 0.000 -12.062 0.000) 12.062 8.748 ( 0.000 -11.695 0.000) 11.695 8.903 ( 0.000 -11.471 0.000) 11.471 9.108 ( 0.000 -17.006 0.000) 17.006 19.348 ( 0.000 2.388 0.000) 2.388 19.354 ( 0.000 2.235 0.000) 2.235 19.373 ( 0.000 1.638 0.000) 1.638 19.474 ( 0.000 -0.404 0.000) 0.404 19.544 ( 0.000 0.837 0.000) 0.837 19.596 ( 0.000 0.198 0.000) 0.198 19.608 ( 0.000 -0.173 0.000) 0.173 19.664 ( 0.000 -1.183 0.000) 1.183 38.328 ( 0.000 0.105 0.000) 0.105 38.330 ( 0.000 -0.073 0.000) 0.073 38.348 ( 0.000 -0.444 0.000) 0.444 38.354 ( 0.000 -0.357 0.000) 0.357 60.829 ( 0.000 0.284 0.000) 0.284 61.162 ( 0.000 -5.867 0.000) 5.867 61.347 ( 0.000 -4.858 0.000) 4.858 61.438 ( 0.000 -6.218 0.000) 6.218 ======================= Grid point 21 (14/105) ======================= q-point: ( 0.25 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 9.746 17.048 0.000) 19.637 1.894 ( 4.136 24.241 0.000) 24.592 2.181 ( -5.680 18.619 0.000) 19.466 2.394 ( -15.275 10.095 0.000) 18.310 2.521 ( 8.954 8.874 0.000) 12.606 2.906 ( -4.957 6.105 0.000) 7.864 3.180 ( 14.871 0.899 0.000) 14.898 3.642 ( -4.319 2.104 0.000) 4.804 3.863 ( 8.915 29.979 0.000) 31.277 4.494 ( -16.007 31.235 0.000) 35.098 4.647 ( 3.527 28.493 0.000) 28.710 4.804 ( -1.106 22.711 0.000) 22.738 5.400 ( 2.681 -5.573 0.000) 6.184 5.450 ( 2.685 -3.855 0.000) 4.698 5.570 ( -4.327 -3.949 0.000) 5.858 5.639 ( -4.646 -5.161 0.000) 6.944 6.359 ( 0.802 2.041 0.000) 2.193 6.507 ( -6.514 2.118 0.000) 6.849 6.562 ( 2.608 -0.381 0.000) 2.636 6.669 ( -1.776 -0.808 0.000) 1.951 6.968 ( 6.550 8.220 0.000) 10.510 7.174 ( 2.114 4.379 0.000) 4.863 7.343 ( 1.610 0.941 0.000) 1.865 7.346 ( -1.965 4.555 0.000) 4.961 7.360 ( -6.896 3.123 0.000) 7.570 7.447 ( -0.095 0.638 0.000) 0.645 7.698 ( 5.348 2.387 0.000) 5.856 7.722 ( 3.162 -0.920 0.000) 3.293 8.681 ( 3.380 -12.343 0.000) 12.797 8.797 ( 4.714 -12.760 0.000) 13.603 8.859 ( -3.893 -11.771 0.000) 12.398 9.055 ( -5.064 -16.539 0.000) 17.297 19.351 ( 0.248 2.303 0.000) 2.316 19.354 ( 0.025 2.208 0.000) 2.208 19.378 ( 0.616 1.664 0.000) 1.774 19.443 ( -2.221 0.656 0.000) 2.315 19.561 ( 1.037 0.206 0.000) 1.058 19.591 ( -0.445 0.148 0.000) 0.469 19.621 ( 1.117 -0.426 0.000) 1.195 19.659 ( -0.459 -1.100 0.000) 1.192 38.328 ( -0.007 0.085 0.000) 0.085 38.330 ( -0.050 -0.043 0.000) 0.066 38.348 ( 0.022 -0.409 0.000) 0.409 38.352 ( -0.123 -0.358 0.000) 0.379 60.891 ( 5.868 -0.038 0.000) 5.868 61.229 ( 5.984 -7.142 0.000) 9.317 61.237 ( -8.494 -2.972 0.000) 8.999 61.442 ( -1.488 -7.902 0.000) 8.041 ======================= Grid point 22 (15/105) ======================= q-point: (-0.50 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( -2.226 20.176 0.000) 20.298 1.993 ( 2.226 20.176 0.000) 20.298 2.119 ( -8.626 16.993 0.000) 19.057 2.119 ( 8.626 16.993 0.000) 19.057 2.736 ( -10.713 6.263 0.000) 12.409 2.736 ( 10.713 6.263 0.000) 12.409 3.466 ( -12.161 -2.220 0.000) 12.362 3.466 ( 12.161 -2.220 0.000) 12.362 4.145 ( -17.100 34.565 0.000) 38.564 4.145 ( 17.100 34.565 0.000) 38.564 4.736 ( -4.658 24.125 0.000) 24.570 4.736 ( 4.658 24.125 0.000) 24.570 5.476 ( -4.537 -3.875 0.000) 5.966 5.476 ( 4.537 -3.875 0.000) 5.966 5.530 ( -5.180 -5.228 0.000) 7.359 5.530 ( 5.180 -5.228 0.000) 7.359 6.400 ( -3.592 2.489 0.000) 4.370 6.400 ( 3.592 2.489 0.000) 4.370 6.620 ( -2.794 -0.400 0.000) 2.823 6.620 ( 2.794 -0.400 0.000) 2.823 7.121 ( -7.559 8.350 0.000) 11.264 7.121 ( 7.559 8.350 0.000) 11.264 7.296 ( -2.228 3.510 0.000) 4.158 7.296 ( 2.228 3.510 0.000) 4.158 7.413 ( -2.977 0.118 0.000) 2.980 7.413 ( 2.977 0.118 0.000) 2.980 7.760 ( -0.414 0.062 0.000) 0.419 7.760 ( 0.414 0.062 0.000) 0.419 8.767 ( -4.776 -12.339 0.000) 13.231 8.767 ( 4.776 -12.339 0.000) 13.231 8.923 ( -7.132 -14.980 0.000) 16.591 8.923 ( 7.132 -14.980 0.000) 16.591 19.354 ( -0.048 2.186 0.000) 2.187 19.354 ( 0.048 2.186 0.000) 2.187 19.402 ( -1.698 1.485 0.000) 2.256 19.402 ( 1.698 1.485 0.000) 2.256 19.579 ( -0.755 0.069 0.000) 0.758 19.579 ( 0.755 0.069 0.000) 0.758 19.644 ( -1.001 -0.852 0.000) 1.315 19.644 ( 1.001 -0.852 0.000) 1.315 38.329 ( -0.041 0.027 0.000) 0.049 38.329 ( 0.041 0.027 0.000) 0.049 38.349 ( -0.127 -0.369 0.000) 0.390 38.349 ( 0.127 -0.369 0.000) 0.390 61.050 ( -9.240 -1.097 0.000) 9.305 61.050 ( 9.240 -1.097 0.000) 9.305 61.362 ( -6.035 -8.604 0.000) 10.509 61.362 ( 6.035 -8.604 0.000) 10.509 ======================= Grid point 25 (16/105) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 0.000 14.849 0.000) 14.849 2.299 ( 0.000 20.260 0.000) 20.260 2.397 ( 0.000 5.085 0.000) 5.085 2.762 ( 0.000 17.310 0.000) 17.310 2.774 ( 0.000 7.484 0.000) 7.484 2.873 ( 0.000 -1.876 0.000) 1.876 3.107 ( 0.000 1.396 0.000) 1.396 3.560 ( 0.000 -9.959 0.000) 9.959 4.429 ( 0.000 32.481 0.000) 32.481 5.057 ( 0.000 7.002 0.000) 7.002 5.085 ( 0.000 16.582 0.000) 16.582 5.238 ( 0.000 0.651 0.000) 0.651 5.299 ( 0.000 17.252 0.000) 17.252 5.476 ( 0.000 10.325 0.000) 10.325 5.550 ( 0.000 -2.890 0.000) 2.890 5.593 ( 0.000 -4.682 0.000) 4.682 6.389 ( 0.000 1.786 0.000) 1.786 6.513 ( 0.000 -1.588 0.000) 1.588 6.624 ( 0.000 1.059 0.000) 1.059 6.662 ( 0.000 -0.629 0.000) 0.629 7.059 ( 0.000 8.919 0.000) 8.919 7.173 ( 0.000 0.342 0.000) 0.342 7.250 ( 0.000 -3.512 0.000) 3.512 7.420 ( 0.000 -1.698 0.000) 1.698 7.449 ( 0.000 3.719 0.000) 3.719 7.637 ( 0.000 7.744 0.000) 7.744 7.672 ( 0.000 -1.468 0.000) 1.468 7.680 ( 0.000 6.888 0.000) 6.888 8.395 ( 0.000 -13.209 0.000) 13.209 8.495 ( 0.000 -14.035 0.000) 14.035 8.683 ( 0.000 -10.267 0.000) 10.267 8.798 ( 0.000 -14.140 0.000) 14.140 19.387 ( 0.000 1.616 0.000) 1.616 19.394 ( 0.000 1.851 0.000) 1.851 19.400 ( 0.000 1.059 0.000) 1.059 19.464 ( 0.000 -0.639 0.000) 0.639 19.562 ( 0.000 0.925 0.000) 0.925 19.601 ( 0.000 0.390 0.000) 0.390 19.603 ( 0.000 -0.366 0.000) 0.366 19.642 ( 0.000 -1.022 0.000) 1.022 38.330 ( 0.000 0.010 0.000) 0.010 38.332 ( 0.000 0.217 0.000) 0.217 38.340 ( 0.000 -0.354 0.000) 0.354 38.347 ( 0.000 -0.296 0.000) 0.296 60.846 ( 0.000 1.441 0.000) 1.441 61.051 ( 0.000 -5.349 0.000) 5.349 61.276 ( 0.000 -2.440 0.000) 2.440 61.335 ( 0.000 -4.265 0.000) 4.265 ======================= Grid point 26 (17/105) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.144 ( 8.958 14.982 0.000) 17.456 2.337 ( 3.554 20.546 0.000) 20.851 2.483 ( 5.882 9.671 0.000) 11.320 2.599 ( -10.026 10.842 0.000) 14.767 2.720 ( -1.931 12.898 0.000) 13.042 2.984 ( -2.509 1.229 0.000) 2.794 3.128 ( 8.014 -5.064 0.000) 9.479 3.501 ( -5.732 -10.100 0.000) 11.613 4.526 ( 9.181 31.269 0.000) 32.589 5.004 ( -6.855 15.833 0.000) 17.254 5.102 ( 1.388 16.408 0.000) 16.467 5.181 ( -5.870 17.456 0.000) 18.416 5.291 ( 3.695 -5.525 0.000) 6.647 5.483 ( -0.450 7.880 0.000) 7.893 5.503 ( -3.891 -2.876 0.000) 4.838 5.540 ( -4.737 -4.639 0.000) 6.630 6.401 ( 1.339 2.203 0.000) 2.578 6.543 ( 2.615 -1.644 0.000) 3.089 6.549 ( -5.320 2.105 0.000) 5.721 6.649 ( -1.778 -1.189 0.000) 2.139 7.140 ( 7.015 9.411 0.000) 11.738 7.228 ( 4.770 1.117 0.000) 4.899 7.298 ( 4.090 -2.879 0.000) 5.002 7.418 ( -2.683 2.553 0.000) 3.703 7.443 ( 0.326 -0.257 0.000) 0.415 7.498 ( -8.215 9.218 0.000) 12.348 7.702 ( 3.102 -1.727 0.000) 3.551 7.766 ( 2.892 4.563 0.000) 5.402 8.427 ( 3.159 -13.211 0.000) 13.584 8.532 ( 3.651 -14.138 0.000) 14.602 8.630 ( -4.736 -10.820 0.000) 11.811 8.749 ( -4.530 -14.148 0.000) 14.856 19.389 ( 0.152 1.581 0.000) 1.589 19.393 ( -0.057 1.779 0.000) 1.780 19.405 ( 0.557 1.019 0.000) 1.161 19.449 ( -1.227 -0.066 0.000) 1.228 19.569 ( 0.652 0.663 0.000) 0.930 19.596 ( -0.474 0.404 0.000) 0.623 19.612 ( 0.753 -0.547 0.000) 0.931 19.639 ( -0.334 -0.984 0.000) 1.040 38.330 ( 0.009 0.041 0.000) 0.042 38.331 ( -0.054 0.191 0.000) 0.198 38.341 ( 0.065 -0.332 0.000) 0.339 38.346 ( -0.128 -0.298 0.000) 0.324 60.902 ( 5.283 1.179 0.000) 5.413 61.104 ( 4.822 -5.726 0.000) 7.486 61.196 ( -6.615 -1.157 0.000) 6.715 61.313 ( -2.860 -5.339 0.000) 6.057 ======================= Grid point 27 (18/105) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( -8.451 15.976 0.000) 18.073 2.345 ( 8.451 15.976 0.000) 18.073 2.480 ( -3.087 19.091 0.000) 19.339 2.480 ( 3.087 19.091 0.000) 19.339 2.824 ( -9.990 2.121 0.000) 10.213 2.824 ( 9.990 2.121 0.000) 10.213 3.338 ( -9.997 -9.472 0.000) 13.771 3.338 ( 9.997 -9.472 0.000) 13.771 4.769 ( -13.670 27.751 0.000) 30.935 4.769 ( 13.670 27.751 0.000) 30.935 5.127 ( -0.989 13.754 0.000) 13.790 5.127 ( 0.989 13.754 0.000) 13.790 5.398 ( -6.234 -4.711 0.000) 7.814 5.398 ( 6.234 -4.711 0.000) 7.814 5.473 ( -0.635 0.735 0.000) 0.971 5.473 ( 0.635 0.735 0.000) 0.971 6.452 ( -3.778 2.687 0.000) 4.636 6.452 ( 3.778 2.687 0.000) 4.636 6.601 ( -2.776 -1.626 0.000) 3.217 6.601 ( 2.776 -1.626 0.000) 3.217 7.298 ( -6.240 9.016 0.000) 10.965 7.298 ( 6.240 9.016 0.000) 10.965 7.341 ( -3.631 1.199 0.000) 3.823 7.341 ( 3.631 1.199 0.000) 3.823 7.407 ( -2.871 0.674 0.000) 2.949 7.407 ( 2.871 0.674 0.000) 2.949 7.770 ( -2.350 0.614 0.000) 2.429 7.770 ( 2.350 0.614 0.000) 2.429 8.519 ( -5.571 -12.262 0.000) 13.468 8.519 ( 5.571 -12.262 0.000) 13.468 8.635 ( -6.042 -14.164 0.000) 15.399 8.635 ( 6.042 -14.164 0.000) 15.399 19.392 ( -0.095 1.636 0.000) 1.639 19.392 ( 0.095 1.636 0.000) 1.639 19.423 ( -1.183 0.677 0.000) 1.363 19.423 ( 1.183 0.677 0.000) 1.363 19.584 ( -0.715 0.464 0.000) 0.852 19.584 ( 0.715 0.464 0.000) 0.852 19.628 ( -0.720 -0.836 0.000) 1.103 19.628 ( 0.720 -0.836 0.000) 1.103 38.330 ( -0.038 0.119 0.000) 0.125 38.330 ( 0.038 0.119 0.000) 0.125 38.343 ( -0.148 -0.306 0.000) 0.340 38.343 ( 0.148 -0.306 0.000) 0.340 61.042 ( -7.955 0.319 0.000) 7.961 61.042 ( 7.955 0.319 0.000) 7.961 61.220 ( -5.864 -6.054 0.000) 8.429 61.220 ( 5.864 -6.054 0.000) 8.429 ======================= Grid point 30 (19/105) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 0.000 10.036 0.000) 10.036 2.420 ( 0.000 -2.917 0.000) 2.917 2.620 ( 0.000 12.386 0.000) 12.386 2.795 ( 0.000 -6.122 0.000) 6.122 2.934 ( 0.000 8.477 0.000) 8.477 3.073 ( 0.000 -4.869 0.000) 4.869 3.082 ( 0.000 15.093 0.000) 15.093 3.346 ( 0.000 -12.060 0.000) 12.060 4.958 ( 0.000 20.901 0.000) 20.901 5.109 ( 0.000 1.444 0.000) 1.444 5.157 ( 0.000 -3.670 0.000) 3.670 5.213 ( 0.000 -4.054 0.000) 4.054 5.516 ( 0.000 -0.631 0.000) 0.631 5.525 ( 0.000 -1.792 0.000) 1.792 5.628 ( 0.000 10.422 0.000) 10.422 5.673 ( 0.000 5.652 0.000) 5.652 6.425 ( 0.000 2.061 0.000) 2.061 6.472 ( 0.000 -2.487 0.000) 2.487 6.642 ( 0.000 0.735 0.000) 0.735 6.652 ( 0.000 -0.423 0.000) 0.423 7.172 ( 0.000 0.142 0.000) 0.142 7.193 ( 0.000 -2.094 0.000) 2.094 7.238 ( 0.000 8.655 0.000) 8.655 7.365 ( 0.000 -4.251 0.000) 4.251 7.522 ( 0.000 4.172 0.000) 4.172 7.613 ( 0.000 -4.486 0.000) 4.486 7.808 ( 0.000 9.063 0.000) 9.063 7.844 ( 0.000 7.934 0.000) 7.934 8.156 ( 0.000 -9.127 0.000) 9.127 8.220 ( 0.000 -12.866 0.000) 12.866 8.542 ( 0.000 -3.060 0.000) 3.060 8.583 ( 0.000 -7.090 0.000) 7.090 19.410 ( 0.000 0.656 0.000) 0.656 19.413 ( 0.000 0.279 0.000) 0.279 19.426 ( 0.000 1.373 0.000) 1.373 19.448 ( 0.000 -0.958 0.000) 0.958 19.579 ( 0.000 0.841 0.000) 0.841 19.593 ( 0.000 -0.617 0.000) 0.617 19.611 ( 0.000 0.572 0.000) 0.572 19.624 ( 0.000 -0.791 0.000) 0.791 38.331 ( 0.000 0.116 0.000) 0.116 38.334 ( 0.000 -0.235 0.000) 0.235 38.337 ( 0.000 0.260 0.000) 0.260 38.342 ( 0.000 -0.271 0.000) 0.271 60.887 ( 0.000 2.842 0.000) 2.842 60.957 ( 0.000 -4.242 0.000) 4.242 61.251 ( 0.000 -0.067 0.000) 0.067 61.272 ( 0.000 -2.157 0.000) 2.157 ======================= Grid point 31 (20/105) ======================= q-point: ( 0.25 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 130 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( 9.713 10.595 0.000) 14.373 2.537 ( 10.499 -2.978 0.000) 10.913 2.676 ( 5.044 13.791 0.000) 14.685 2.794 ( -2.949 6.632 0.000) 7.258 2.939 ( 1.030 -3.898 0.000) 4.032 3.010 ( -6.672 15.081 0.000) 16.491 3.013 ( -3.748 -6.508 0.000) 7.510 3.280 ( -6.226 -12.509 0.000) 13.973 5.028 ( 6.424 19.231 0.000) 20.275 5.128 ( 1.939 2.756 0.000) 3.370 5.193 ( 3.382 -4.259 0.000) 5.438 5.247 ( 2.646 -2.258 0.000) 3.478 5.455 ( -5.151 -0.763 0.000) 5.207 5.480 ( -3.219 -2.066 0.000) 3.825 5.516 ( -9.127 12.857 0.000) 15.767 5.620 ( -5.454 2.321 0.000) 5.927 6.446 ( 2.005 2.497 0.000) 3.202 6.499 ( 2.424 -2.733 0.000) 3.653 6.588 ( -4.138 1.878 0.000) 4.544 6.622 ( -2.821 -1.584 0.000) 3.235 7.234 ( 5.417 0.162 0.000) 5.419 7.251 ( 5.103 -1.679 0.000) 5.372 7.317 ( 6.143 7.450 0.000) 9.656 7.404 ( 1.312 -2.312 0.000) 2.659 7.503 ( -1.151 5.432 0.000) 5.552 7.631 ( 2.894 -5.903 0.000) 6.574 7.712 ( -6.734 11.683 0.000) 13.484 7.846 ( -2.604 0.955 0.000) 2.774 8.205 ( 5.063 -6.646 0.000) 8.355 8.273 ( 4.871 -11.030 0.000) 12.058 8.482 ( -5.558 -3.116 0.000) 6.372 8.529 ( -5.072 -7.565 0.000) 9.108 19.412 ( 0.205 0.707 0.000) 0.737 19.417 ( 0.382 0.193 0.000) 0.428 19.423 ( -0.239 1.231 0.000) 1.254 19.442 ( -0.588 -0.673 0.000) 0.894 19.584 ( 0.477 0.809 0.000) 0.940 19.599 ( 0.530 -0.713 0.000) 0.888 19.607 ( -0.400 0.633 0.000) 0.749 19.621 ( -0.318 -0.825 0.000) 0.884 38.331 ( 0.059 0.135 0.000) 0.147 38.335 ( 0.080 -0.235 0.000) 0.248 38.335 ( -0.099 0.241 0.000) 0.260 38.340 ( -0.125 -0.264 0.000) 0.292 60.939 ( 4.838 2.669 0.000) 5.526 61.006 ( 4.613 -4.239 0.000) 6.265 61.194 ( -5.180 0.891 0.000) 5.256 61.232 ( -3.997 -3.040 0.000) 5.022 ======================= Grid point 32 (21/105) ======================= q-point: (-0.50 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.620 ( -10.510 11.868 0.000) 15.852 2.620 ( 10.510 11.868 0.000) 15.853 2.781 ( -11.512 -1.002 0.000) 11.555 2.781 ( 11.512 -1.002 0.000) 11.555 2.846 ( -7.905 12.107 0.000) 14.459 2.846 ( 7.905 12.107 0.000) 14.459 3.119 ( -8.799 -12.788 0.000) 15.523 3.119 ( 8.799 -12.788 0.000) 15.523 5.153 ( -2.354 10.204 0.000) 10.472 5.153 ( 2.354 10.204 0.000) 10.472 5.265 ( -1.536 -1.949 0.000) 2.481 5.265 ( 1.536 -1.949 0.000) 2.481 5.367 ( -0.555 7.334 0.000) 7.355 5.367 ( 0.555 7.334 0.000) 7.355 5.494 ( -5.248 -1.869 0.000) 5.571 5.494 ( 5.248 -1.869 0.000) 5.571 6.504 ( -3.693 2.730 0.000) 4.592 6.504 ( 3.693 2.730 0.000) 4.592 6.558 ( -3.201 -2.634 0.000) 4.146 6.558 ( 3.201 -2.634 0.000) 4.146 7.352 ( -4.715 0.188 0.000) 4.719 7.352 ( 4.715 0.188 0.000) 4.718 7.357 ( -4.290 -0.325 0.000) 4.302 7.357 ( 4.290 -0.325 0.000) 4.302 7.562 ( -7.208 11.824 0.000) 13.848 7.562 ( 7.208 11.824 0.000) 13.848 7.743 ( -6.678 -5.010 0.000) 8.349 7.743 ( 6.678 -5.010 0.000) 8.349 8.341 ( -7.614 -3.906 0.000) 8.557 8.341 ( 7.614 -3.906 0.000) 8.557 8.399 ( -7.036 -8.847 0.000) 11.304 8.399 ( 7.036 -8.847 0.000) 11.304 19.417 ( -0.297 0.934 0.000) 0.980 19.417 ( 0.297 0.934 0.000) 0.980 19.428 ( -0.669 -0.159 0.000) 0.688 19.428 ( 0.669 -0.159 0.000) 0.688 19.596 ( -0.605 0.739 0.000) 0.955 19.596 ( 0.605 0.739 0.000) 0.955 19.611 ( -0.581 -0.830 0.000) 1.013 19.611 ( 0.581 -0.830 0.000) 1.013 38.333 ( -0.110 0.188 0.000) 0.218 38.333 ( 0.110 0.188 0.000) 0.218 38.337 ( -0.148 -0.246 0.000) 0.288 38.337 ( 0.148 -0.246 0.000) 0.288 61.064 ( -6.946 2.044 0.000) 7.240 61.064 ( 6.946 2.044 0.000) 7.240 61.123 ( -6.221 -3.950 0.000) 7.369 61.123 ( 6.221 -3.950 0.000) 7.369 ======================= Grid point 65 (22/105) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( 0.000 0.000 19.839) 19.839 0.448 ( 0.000 0.000 21.749) 21.749 1.040 ( 0.000 0.000 50.890) 50.890 1.498 ( 0.000 0.000 1.845) 1.845 1.743 ( 0.000 0.000 6.551) 6.551 1.883 ( 0.000 0.000 5.140) 5.140 2.027 ( 0.000 0.000 9.201) 9.201 2.312 ( 0.000 0.000 2.340) 2.340 2.816 ( 0.000 0.000 18.380) 18.380 3.501 ( 0.000 0.000 2.748) 2.748 4.165 ( 0.000 0.000 1.607) 1.607 4.166 ( 0.000 0.000 10.708) 10.708 5.859 ( 0.000 0.000 1.218) 1.218 5.933 ( 0.000 0.000 1.695) 1.695 6.021 ( 0.000 0.000 -3.875) 3.875 6.081 ( 0.000 0.000 -0.746) 0.746 6.209 ( 0.000 0.000 -1.807) 1.807 6.256 ( 0.000 0.000 -1.091) 1.091 6.325 ( 0.000 0.000 -1.397) 1.397 6.588 ( 0.000 0.000 0.104) 0.104 6.750 ( 0.000 0.000 -4.356) 4.356 6.858 ( 0.000 0.000 -2.308) 2.308 6.959 ( 0.000 0.000 -1.115) 1.115 7.055 ( 0.000 0.000 7.830) 7.830 7.078 ( 0.000 0.000 -3.555) 3.555 7.118 ( 0.000 0.000 -1.772) 1.772 7.193 ( 0.000 0.000 6.923) 6.923 7.719 ( 0.000 0.000 -1.851) 1.851 8.794 ( 0.000 0.000 -10.182) 10.182 9.093 ( 0.000 0.000 -10.124) 10.124 9.452 ( 0.000 0.000 -8.470) 8.470 9.894 ( 0.000 0.000 -8.387) 8.387 19.191 ( 0.000 0.000 0.235) 0.235 19.219 ( 0.000 0.000 0.080) 0.080 19.229 ( 0.000 0.000 0.233) 0.233 19.260 ( 0.000 0.000 -0.023) 0.023 19.512 ( 0.000 0.000 0.149) 0.149 19.597 ( 0.000 0.000 -1.057) 1.057 19.711 ( 0.000 0.000 0.549) 0.549 19.731 ( 0.000 0.000 -0.106) 0.106 38.317 ( 0.000 0.000 -0.878) 0.878 38.328 ( 0.000 0.000 -0.754) 0.754 38.394 ( 0.000 0.000 1.417) 1.417 38.409 ( 0.000 0.000 1.306) 1.306 61.068 ( 0.000 0.000 18.573) 18.573 61.397 ( 0.000 0.000 0.266) 0.266 62.322 ( 0.000 0.000 31.621) 31.621 64.752 ( 0.000 0.000 -3.100) 3.100 ======================= Grid point 66 (23/105) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 16.088 0.000 12.873) 20.604 0.678 ( 15.698 0.000 13.544) 20.733 1.309 ( -14.919 0.000 3.910) 15.423 1.410 ( 2.009 0.000 14.459) 14.598 1.485 ( 14.237 0.000 23.901) 27.820 2.009 ( 8.783 0.000 3.731) 9.543 2.276 ( -3.498 0.000 2.446) 4.269 2.292 ( 16.202 0.000 11.685) 19.976 2.745 ( -7.703 0.000 15.446) 17.260 3.087 ( -31.676 0.000 13.160) 34.301 4.187 ( 4.564 0.000 -1.882) 4.937 4.299 ( 4.186 0.000 6.398) 7.646 5.869 ( 1.315 0.000 3.132) 3.397 5.968 ( -2.458 0.000 0.533) 2.515 6.083 ( 7.979 0.000 -3.677) 8.785 6.093 ( 1.203 0.000 -0.822) 1.457 6.175 ( -2.382 0.000 -1.375) 2.751 6.281 ( 1.554 0.000 -1.416) 2.102 6.321 ( -0.427 0.000 -1.433) 1.495 6.387 ( -9.620 0.000 5.336) 11.001 6.828 ( 2.463 0.000 -7.142) 7.555 6.871 ( 1.263 0.000 -2.227) 2.560 6.942 ( -1.538 0.000 -1.489) 2.140 6.953 ( -4.869 0.000 -0.069) 4.870 7.086 ( 0.738 0.000 -3.092) 3.179 7.114 ( -0.408 0.000 -1.936) 1.978 7.455 ( 14.232 0.000 8.569) 16.612 7.776 ( 1.080 0.000 1.225) 1.633 8.878 ( 6.666 0.000 -18.278) 19.455 9.093 ( -1.771 0.000 -11.623) 11.757 9.418 ( 2.251 0.000 -7.228) 7.571 9.812 ( -8.226 0.000 -9.175) 12.323 19.193 ( 0.234 0.000 0.231) 0.329 19.210 ( -0.550 0.000 0.171) 0.576 19.238 ( 0.580 0.000 0.128) 0.594 19.257 ( -0.265 0.000 -0.004) 0.265 19.548 ( 2.227 0.000 -1.745) 2.829 19.593 ( -0.388 0.000 -1.086) 1.153 19.708 ( -0.031 0.000 0.785) 0.785 19.726 ( -0.475 0.000 -0.027) 0.476 38.316 ( 0.024 0.000 -1.176) 1.176 38.326 ( -0.232 0.000 -0.850) 0.881 38.399 ( 0.931 0.000 1.914) 2.129 38.430 ( 0.557 0.000 1.861) 1.942 61.112 ( 4.666 0.000 16.615) 17.258 61.369 ( -3.860 0.000 1.452) 4.124 62.498 ( 16.232 0.000 30.835) 34.847 63.808 ( -56.833 0.000 46.182) 73.231 ======================= Grid point 67 (24/105) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.968 ( -17.988 0.000 7.115) 19.344 0.968 ( 17.988 0.000 7.115) 19.344 1.035 ( -19.266 0.000 6.936) 20.476 1.035 ( 19.266 0.000 6.936) 20.476 2.171 ( -6.795 0.000 2.827) 7.359 2.171 ( 6.795 0.000 2.827) 7.359 2.261 ( -38.598 0.000 15.420) 41.564 2.261 ( 38.598 0.000 15.420) 41.564 2.606 ( -13.264 0.000 18.156) 22.485 2.606 ( 13.264 0.000 18.156) 22.485 4.290 ( -4.186 0.000 0.011) 4.186 4.290 ( 4.186 0.000 0.011) 4.186 5.910 ( -2.640 0.000 4.478) 5.198 5.910 ( 2.640 0.000 4.478) 5.198 6.128 ( -2.115 0.000 -1.038) 2.356 6.128 ( 2.115 0.000 -1.038) 2.356 6.232 ( -6.769 0.000 -0.836) 6.820 6.232 ( 6.769 0.000 -0.836) 6.820 6.307 ( -0.984 0.000 -1.488) 1.784 6.307 ( 0.984 0.000 -1.488) 1.784 6.876 ( -2.832 0.000 -4.218) 5.081 6.876 ( 2.832 0.000 -4.218) 5.081 6.905 ( -1.897 0.000 -1.965) 2.731 6.905 ( 1.897 0.000 -1.965) 2.731 7.102 ( -0.728 0.000 -2.404) 2.511 7.102 ( 0.728 0.000 -2.404) 2.511 7.690 ( -8.755 0.000 8.840) 12.442 7.690 ( 8.755 0.000 8.840) 12.442 9.007 ( -5.707 0.000 -18.014) 18.896 9.007 ( 5.707 0.000 -18.014) 18.896 9.591 ( -12.066 0.000 -8.712) 14.882 9.591 ( 12.066 0.000 -8.712) 14.882 19.200 ( -0.435 0.000 0.213) 0.484 19.200 ( 0.435 0.000 0.213) 0.484 19.249 ( -0.478 0.000 0.049) 0.480 19.249 ( 0.478 0.000 0.049) 0.480 19.580 ( -1.004 0.000 -1.452) 1.766 19.580 ( 1.004 0.000 -1.452) 1.766 19.715 ( -0.568 0.000 0.354) 0.669 19.715 ( 0.568 0.000 0.354) 0.669 38.320 ( -0.292 0.000 -1.165) 1.201 38.320 ( 0.292 0.000 -1.165) 1.201 38.422 ( -1.062 0.000 2.580) 2.789 38.422 ( 1.062 0.000 2.580) 2.789 61.244 ( -7.457 0.000 9.578) 12.138 61.244 ( 7.457 0.000 9.578) 12.138 62.955 ( -29.781 0.000 38.790) 48.904 62.955 ( 29.781 0.000 38.790) 48.904 ======================= Grid point 70 (25/105) ======================= q-point: ( 0.00 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( 0.000 16.171 14.904) 21.992 0.634 ( 0.000 15.009 18.743) 24.012 1.377 ( 0.000 31.431 32.952) 45.539 1.759 ( 0.000 23.342 1.441) 23.386 1.776 ( 0.000 4.038 6.231) 7.425 2.032 ( 0.000 1.604 8.556) 8.705 2.054 ( 0.000 15.304 6.415) 16.594 2.546 ( 0.000 20.489 1.412) 20.538 2.856 ( 0.000 5.529 17.844) 18.681 3.523 ( 0.000 3.502 2.621) 4.374 4.142 ( 0.000 -1.898 2.672) 3.277 4.166 ( 0.000 0.349 10.860) 10.866 5.816 ( 0.000 -4.361 -0.304) 4.372 5.879 ( 0.000 -9.344 -2.763) 9.744 5.921 ( 0.000 -2.625 0.576) 2.688 6.062 ( 0.000 -8.367 9.009) 12.294 6.277 ( 0.000 3.715 0.405) 3.737 6.290 ( 0.000 9.271 -6.737) 11.460 6.370 ( 0.000 4.458 -2.281) 5.007 6.598 ( 0.000 0.803 0.466) 0.929 6.822 ( 0.000 -0.797 -6.466) 6.514 6.891 ( 0.000 3.257 -1.583) 3.621 7.009 ( 0.000 4.631 -0.820) 4.703 7.082 ( 0.000 4.854 -0.285) 4.862 7.134 ( 0.000 6.246 -3.095) 6.971 7.250 ( 0.000 5.651 4.225) 7.056 7.253 ( 0.000 9.587 -0.678) 9.611 7.712 ( 0.000 -0.681 -1.745) 1.873 8.848 ( 0.000 3.942 -16.283) 16.753 9.052 ( 0.000 -4.034 -9.856) 10.650 9.352 ( 0.000 -8.553 -7.171) 11.161 9.834 ( 0.000 -6.134 -7.759) 9.891 19.205 ( 0.000 1.415 0.130) 1.421 19.239 ( 0.000 1.008 0.170) 1.022 19.270 ( 0.000 1.038 -0.096) 1.042 19.296 ( 0.000 5.455 -5.072) 7.449 19.514 ( 0.000 0.206 0.140) 0.249 19.592 ( 0.000 -0.525 -0.857) 1.005 19.694 ( 0.000 -1.411 1.763) 2.258 19.725 ( 0.000 -0.602 -0.096) 0.610 38.317 ( 0.000 0.002 -0.869) 0.869 38.326 ( 0.000 -0.171 -0.713) 0.733 38.374 ( 0.000 -1.343 0.914) 1.624 38.403 ( 0.000 -0.583 1.139) 1.279 61.038 ( 0.000 -2.839 17.258) 17.490 61.372 ( 0.000 -2.514 0.022) 2.514 62.255 ( 0.000 -6.611 30.361) 31.072 63.583 ( 0.000 -76.125 65.487) 100.417 ======================= Grid point 71 (26/105) ======================= q-point: ( 0.25 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 11.998 10.025 11.795) 19.585 0.884 ( 15.477 17.240 9.208) 24.930 1.460 ( -17.522 5.728 5.176) 19.148 1.562 ( -12.706 19.051 4.864) 23.411 1.694 ( 24.263 24.154 25.061) 42.428 2.183 ( 9.964 14.611 4.937) 18.361 2.312 ( 15.592 4.795 10.107) 19.190 2.513 ( -2.934 20.011 1.956) 20.320 2.785 ( -7.288 5.622 15.132) 17.712 3.157 ( -29.145 7.823 11.975) 32.466 4.160 ( 4.598 -2.482 -1.474) 5.429 4.290 ( 3.755 -0.546 6.854) 7.834 5.820 ( 0.728 -4.830 2.197) 5.356 5.882 ( -1.747 -6.912 -0.801) 7.174 5.909 ( 1.329 -7.945 0.266) 8.060 6.033 ( -2.670 -8.580 8.318) 12.245 6.281 ( 1.613 4.954 -0.454) 5.230 6.323 ( 1.559 6.262 -4.109) 7.650 6.367 ( -0.210 4.522 -2.234) 5.048 6.484 ( -6.950 4.488 2.497) 8.642 6.831 ( 0.908 -1.036 -5.410) 5.583 6.893 ( -0.072 2.124 -1.780) 2.772 6.985 ( -2.727 3.438 -2.121) 4.873 7.004 ( -2.926 6.141 -0.912) 6.864 7.145 ( 1.005 5.363 -2.770) 6.119 7.189 ( -1.063 6.566 -0.963) 6.721 7.508 ( 12.706 4.685 5.355) 14.563 7.779 ( 2.307 0.018 -0.229) 2.318 8.896 ( 4.195 1.164 -19.047) 19.538 9.066 ( -1.026 -2.668 -12.157) 12.488 9.348 ( 3.721 -6.638 -7.192) 10.471 9.752 ( -8.042 -6.050 -8.387) 13.100 19.209 ( 0.368 1.519 0.094) 1.566 19.236 ( -0.523 1.434 -0.081) 1.529 19.268 ( -0.180 1.162 -0.130) 1.183 19.272 ( -1.131 3.533 -1.633) 4.053 19.548 ( 2.112 0.025 -1.610) 2.656 19.589 ( -0.275 -0.412 -0.923) 1.048 19.696 ( 0.299 -1.090 1.280) 1.708 19.720 ( -0.518 -0.649 -0.002) 0.831 38.316 ( 0.008 -0.007 -1.148) 1.148 38.324 ( -0.198 -0.134 -0.830) 0.863 38.386 ( 1.053 -1.152 1.472) 2.146 38.414 ( 0.429 -1.244 1.600) 2.071 61.087 ( 4.962 -2.372 15.239) 16.201 61.344 ( -3.729 -2.469 1.193) 4.629 62.392 ( 12.576 -10.177 30.239) 34.295 63.215 ( -26.882 -45.989 57.571) 78.435 ======================= Grid point 72 (27/105) ======================= q-point: (-0.50 0.08 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( -13.527 6.528 4.362) 15.640 1.032 ( 13.527 6.528 4.362) 15.640 1.259 ( -11.861 18.940 7.377) 23.533 1.259 ( 11.861 18.940 7.377) 23.533 2.269 ( -14.046 11.073 7.147) 19.261 2.269 ( 14.046 11.073 7.147) 19.261 2.494 ( -15.237 21.035 8.796) 27.423 2.494 ( 15.237 21.035 8.796) 27.423 2.637 ( -15.174 4.107 17.707) 23.678 2.637 ( 15.174 4.107 17.707) 23.678 4.270 ( -4.682 -1.755 0.562) 5.032 4.270 ( 4.682 -1.755 0.562) 5.032 5.842 ( -1.481 -6.112 2.406) 6.734 5.842 ( 1.481 -6.112 2.406) 6.734 5.966 ( -3.575 -9.048 4.127) 10.568 5.966 ( 3.575 -9.048 4.127) 10.568 6.325 ( -1.759 3.503 -0.139) 3.922 6.325 ( 1.759 3.503 -0.139) 3.922 6.384 ( -2.722 6.309 -1.998) 7.156 6.384 ( 2.722 6.309 -1.998) 7.156 6.863 ( -2.225 -0.206 -3.574) 4.216 6.863 ( 2.225 -0.206 -3.574) 4.216 6.967 ( -1.159 5.015 -1.825) 5.461 6.967 ( 1.159 5.015 -1.825) 5.461 7.168 ( -1.109 5.881 -1.824) 6.256 7.168 ( 1.109 5.881 -1.824) 6.256 7.720 ( -7.591 2.533 5.494) 9.707 7.720 ( 7.591 2.533 5.494) 9.707 8.993 ( -4.856 -1.545 -17.616) 18.338 8.993 ( 4.856 -1.545 -17.616) 18.338 9.535 ( -12.064 -5.675 -8.294) 15.702 9.535 ( 12.064 -5.675 -8.294) 15.702 19.220 ( -0.768 1.804 -0.058) 1.961 19.220 ( 0.768 1.804 -0.058) 1.961 19.265 ( -0.113 1.567 -0.224) 1.587 19.265 ( 0.113 1.567 -0.224) 1.587 19.578 ( -0.886 -0.188 -1.324) 1.605 19.578 ( 0.886 -0.188 -1.324) 1.605 19.706 ( -0.682 -0.768 0.431) 1.113 19.706 ( 0.682 -0.768 0.431) 1.113 38.319 ( -0.253 -0.063 -1.128) 1.158 38.319 ( 0.253 -0.063 -1.128) 1.158 38.408 ( -0.890 -1.243 2.089) 2.589 38.408 ( 0.890 -1.243 2.089) 2.589 61.222 ( -7.404 -2.209 8.751) 11.674 61.222 ( 7.404 -2.209 8.751) 11.674 62.727 ( -20.248 -20.519 38.411) 48.025 62.727 ( 20.248 -20.519 38.411) 48.025 ======================= Grid point 75 (28/105) ======================= q-point: ( 0.00 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 0.000 18.882 12.219) 22.491 1.000 ( 0.000 20.587 9.011) 22.473 1.851 ( 0.000 9.162 4.456) 10.188 2.045 ( 0.000 4.723 5.177) 7.007 2.126 ( 0.000 34.043 12.075) 36.121 2.335 ( 0.000 27.713 2.657) 27.840 2.404 ( 0.000 21.024 13.470) 24.969 2.815 ( 0.000 5.825 9.785) 11.388 3.235 ( 0.000 32.119 4.611) 32.448 3.661 ( 0.000 9.839 -3.956) 10.605 4.119 ( 0.000 1.065 7.499) 7.575 4.207 ( 0.000 4.922 10.557) 11.648 5.686 ( 0.000 -9.364 -2.922) 9.809 5.695 ( 0.000 -7.578 -0.454) 7.592 5.867 ( 0.000 -3.226 1.634) 3.616 5.908 ( 0.000 -6.796 11.023) 12.949 6.324 ( 0.000 1.465 2.108) 2.567 6.439 ( 0.000 5.168 -5.415) 7.485 6.487 ( 0.000 7.020 -3.855) 8.009 6.614 ( 0.000 0.867 1.430) 1.673 6.767 ( 0.000 -3.272 -2.088) 3.881 6.980 ( 0.000 5.668 0.120) 5.670 7.111 ( 0.000 5.135 -1.624) 5.386 7.161 ( 0.000 3.828 -3.461) 5.160 7.287 ( 0.000 7.524 -2.301) 7.868 7.394 ( 0.000 8.384 1.656) 8.546 7.401 ( 0.000 4.651 1.153) 4.792 7.696 ( 0.000 -0.865 -1.447) 1.686 8.901 ( 0.000 1.087 -15.512) 15.550 8.941 ( 0.000 -7.216 -9.037) 11.565 9.167 ( 0.000 -9.780 -8.470) 12.938 9.662 ( 0.000 -11.119 -5.837) 12.558 19.243 ( 0.000 2.347 -0.119) 2.350 19.267 ( 0.000 1.789 0.002) 1.789 19.298 ( 0.000 1.694 -0.258) 1.714 19.381 ( 0.000 3.132 -5.637) 6.449 19.520 ( 0.000 0.411 0.108) 0.425 19.581 ( 0.000 -0.510 -0.624) 0.806 19.668 ( 0.000 -1.163 2.106) 2.406 19.709 ( 0.000 -1.030 -0.083) 1.034 38.317 ( 0.000 0.047 -0.820) 0.822 38.323 ( 0.000 -0.133 -0.630) 0.644 38.355 ( 0.000 -0.640 -0.371) 0.740 38.388 ( 0.000 -0.852 0.753) 1.137 60.971 ( 0.000 -3.668 13.183) 13.684 61.304 ( 0.000 -4.288 -0.610) 4.332 62.080 ( 0.000 -10.877 26.612) 28.750 62.476 ( 0.000 -39.284 57.525) 69.659 ======================= Grid point 76 (29/105) ======================= q-point: ( 0.25 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 7.558 18.047 6.432) 20.595 1.222 ( 15.768 17.465 7.961) 24.840 1.589 ( -15.615 8.978 3.970) 18.444 1.969 ( -16.804 18.543 4.516) 25.429 2.269 ( 13.551 17.406 6.694) 23.052 2.388 ( 17.453 24.309 17.526) 34.679 2.634 ( 7.441 21.017 4.122) 22.673 2.785 ( -0.218 9.080 9.937) 13.462 3.160 ( -6.667 30.104 3.197) 30.999 3.420 ( -21.620 19.212 7.298) 29.829 4.107 ( 4.683 -1.976 0.381) 5.098 4.304 ( 1.827 3.049 7.402) 8.212 5.690 ( 0.269 -7.872 -0.942) 7.933 5.720 ( 2.582 -8.034 0.848) 8.481 5.808 ( -4.365 -4.092 3.752) 7.062 5.885 ( -2.533 -6.687 8.629) 11.207 6.330 ( 0.945 1.364 2.246) 2.793 6.431 ( -1.967 3.978 -2.358) 5.026 6.479 ( 0.038 5.692 -3.403) 6.632 6.549 ( -3.535 3.097 0.778) 4.764 6.797 ( 2.716 -1.528 -2.607) 4.063 6.962 ( -2.754 4.571 -1.776) 5.624 7.068 ( -1.515 4.864 -2.623) 5.730 7.143 ( -2.753 7.553 0.511) 8.055 7.259 ( 0.388 5.397 -2.390) 5.915 7.323 ( -1.553 6.247 0.572) 6.463 7.603 ( 10.132 4.394 1.881) 11.203 7.769 ( 3.937 -0.959 -1.104) 4.200 8.890 ( 1.092 -2.553 -15.076) 15.330 9.002 ( 0.325 -3.398 -13.416) 13.843 9.181 ( 5.177 -9.946 -7.095) 13.269 9.585 ( -7.519 -10.778 -6.304) 14.576 19.248 ( 0.498 2.377 -0.177) 2.435 19.267 ( -0.092 1.846 -0.065) 1.849 19.298 ( 0.088 1.826 -0.320) 1.856 19.343 ( -2.544 3.192 -2.840) 4.973 19.549 ( 1.805 0.076 -1.228) 2.184 19.580 ( -0.082 -0.417 -0.698) 0.817 19.673 ( 0.534 -1.143 1.502) 1.962 19.703 ( -0.567 -1.030 -0.002) 1.176 38.316 ( -0.017 0.049 -1.025) 1.026 38.322 ( -0.135 -0.104 -0.755) 0.774 38.364 ( 0.859 -0.912 0.387) 1.312 38.390 ( -0.001 -1.127 0.963) 1.482 61.027 ( 5.318 -3.494 11.568) 13.202 61.278 ( -3.360 -4.079 0.363) 5.297 62.140 ( 5.639 -14.727 27.912) 32.058 62.415 ( -5.435 -33.194 47.798) 58.447 ======================= Grid point 77 (30/105) ======================= q-point: (-0.50 0.15 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( -13.495 14.519 1.694) 19.894 1.239 ( 13.495 14.519 1.694) 19.894 1.612 ( -17.301 15.601 7.731) 24.545 1.612 ( 17.301 15.601 7.731) 24.545 2.537 ( -11.009 10.696 5.397) 16.270 2.537 ( 11.009 10.696 5.397) 16.270 2.811 ( -15.311 20.764 15.159) 29.922 2.811 ( 15.311 20.764 15.159) 29.922 3.031 ( -1.388 29.037 4.343) 29.393 3.031 ( 1.388 29.037 4.343) 29.393 4.244 ( -6.596 0.125 1.880) 6.860 4.244 ( 6.596 0.125 1.880) 6.860 5.714 ( -2.380 -6.340 1.460) 6.927 5.714 ( 2.380 -6.340 1.460) 6.927 5.812 ( -4.085 -7.096 6.192) 10.265 5.812 ( 4.085 -7.096 6.192) 10.265 6.370 ( -2.915 1.431 2.493) 4.095 6.370 ( 2.915 1.431 2.493) 4.095 6.501 ( -1.688 5.319 -3.544) 6.610 6.501 ( 1.688 5.319 -3.544) 6.610 6.873 ( -4.649 1.426 -2.858) 5.641 6.873 ( 4.649 1.426 -2.858) 5.641 7.086 ( -2.368 6.858 -0.390) 7.266 7.086 ( 2.368 6.858 -0.390) 7.266 7.289 ( -1.804 5.703 -0.791) 6.034 7.289 ( 1.804 5.703 -0.791) 6.034 7.763 ( -4.808 1.484 1.496) 5.249 7.763 ( 4.808 1.484 1.496) 5.249 8.944 ( -3.753 -3.553 -15.655) 16.486 8.944 ( 3.753 -3.553 -15.655) 16.486 9.380 ( -11.646 -9.791 -6.813) 16.671 9.380 ( 11.646 -9.791 -6.813) 16.671 19.260 ( -0.586 2.205 -0.234) 2.294 19.260 ( 0.586 2.205 -0.234) 2.294 19.306 ( -0.937 2.448 -0.834) 2.750 19.306 ( 0.937 2.448 -0.834) 2.750 19.574 ( -0.650 -0.216 -1.028) 1.236 19.574 ( 0.650 -0.216 -1.028) 1.236 19.688 ( -0.830 -1.069 0.459) 1.429 19.688 ( 0.830 -1.069 0.459) 1.429 38.318 ( -0.167 -0.015 -0.999) 1.013 38.318 ( 0.167 -0.015 -0.999) 1.013 38.383 ( -0.756 -1.221 1.092) 1.804 38.383 ( 0.756 -1.221 1.092) 1.804 61.163 ( -7.191 -3.570 6.479) 10.317 61.163 ( 7.191 -3.570 6.479) 10.317 62.280 ( -7.417 -22.926 33.484) 41.253 62.280 ( 7.417 -22.926 33.484) 41.253 ======================= Grid point 80 (31/105) ======================= q-point: ( 0.00 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( 0.000 22.595 3.724) 22.900 1.403 ( 0.000 20.064 6.509) 21.094 2.038 ( 0.000 10.442 1.831) 10.602 2.173 ( 0.000 9.189 2.017) 9.408 2.524 ( 0.000 9.818 2.573) 10.149 2.784 ( 0.000 14.613 3.862) 15.115 2.921 ( 0.000 7.300 8.270) 11.031 3.042 ( 0.000 39.511 16.260) 42.726 3.778 ( 0.000 -0.457 -9.629) 9.640 3.899 ( 0.000 33.342 -2.858) 33.465 4.307 ( 0.000 19.624 9.785) 21.928 4.404 ( 0.000 15.900 7.877) 17.744 5.524 ( 0.000 -7.088 -1.820) 7.318 5.541 ( 0.000 -7.799 1.222) 7.894 5.787 ( 0.000 -5.773 7.948) 9.823 5.796 ( 0.000 -3.946 1.998) 4.423 6.348 ( 0.000 1.176 2.190) 2.486 6.501 ( 0.000 1.666 -3.482) 3.860 6.604 ( 0.000 2.890 -0.330) 2.908 6.655 ( 0.000 5.000 -3.523) 6.116 6.713 ( 0.000 -2.176 -0.722) 2.292 7.105 ( 0.000 6.960 2.382) 7.356 7.193 ( 0.000 2.985 -4.854) 5.698 7.224 ( 0.000 2.146 -6.286) 6.643 7.411 ( 0.000 4.948 -1.652) 5.216 7.436 ( 0.000 -0.498 1.395) 1.481 7.555 ( 0.000 7.772 3.894) 8.693 7.684 ( 0.000 -0.332 -0.675) 0.752 8.779 ( 0.000 -9.179 -7.450) 11.821 8.880 ( 0.000 -3.980 -6.525) 7.643 8.990 ( 0.000 -7.391 -9.105) 11.727 9.413 ( 0.000 -13.945 -2.537) 14.174 19.292 ( 0.000 2.616 -0.385) 2.644 19.307 ( 0.000 2.177 -0.221) 2.188 19.333 ( 0.000 1.842 -0.439) 1.894 19.425 ( 0.000 1.492 -3.995) 4.265 19.530 ( 0.000 0.610 0.046) 0.612 19.574 ( 0.000 -0.163 -0.685) 0.704 19.648 ( 0.000 -0.876 1.603) 1.827 19.686 ( 0.000 -1.226 -0.095) 1.230 38.319 ( 0.000 0.144 -0.678) 0.694 38.321 ( 0.000 0.036 -0.491) 0.493 38.347 ( 0.000 -0.235 -0.651) 0.693 38.372 ( 0.000 -0.796 0.377) 0.881 60.904 ( 0.000 -3.002 7.996) 8.541 61.212 ( 0.000 -4.937 -1.334) 5.114 61.849 ( 0.000 -12.325 20.740) 24.126 61.905 ( 0.000 -21.683 34.332) 40.606 ======================= Grid point 81 (32/105) ======================= q-point: ( 0.25 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 5.473 22.068 1.315) 22.774 1.566 ( 13.258 17.413 7.108) 23.011 1.825 ( -12.759 15.187 0.541) 19.843 2.246 ( -18.032 10.669 5.001) 21.541 2.401 ( 13.979 5.686 4.075) 15.631 2.856 ( -6.288 5.956 7.773) 11.637 3.025 ( 15.550 21.300 2.158) 26.460 3.174 ( 11.201 32.865 13.338) 37.195 3.650 ( -8.634 12.014 -4.196) 15.378 3.879 ( -11.643 27.443 -0.072) 29.811 4.195 ( 2.407 15.919 4.918) 16.835 4.459 ( -1.156 13.756 5.349) 14.804 5.545 ( 1.773 -6.663 -0.682) 6.928 5.568 ( 2.791 -7.398 1.718) 8.091 5.728 ( -4.589 -4.268 5.461) 8.313 5.764 ( -3.336 -5.655 4.672) 8.059 6.353 ( 0.865 1.243 2.488) 2.913 6.486 ( -4.066 2.081 -0.125) 4.570 6.547 ( -0.308 1.546 -0.551) 1.670 6.623 ( -2.316 3.391 -3.589) 5.454 6.793 ( 5.837 1.615 -2.822) 6.681 7.060 ( -5.549 5.151 -4.258) 8.686 7.165 ( 1.293 4.907 -0.521) 5.102 7.276 ( 0.855 5.199 -0.880) 5.342 7.340 ( -2.669 2.974 -1.217) 4.177 7.412 ( -1.138 2.856 0.354) 3.094 7.677 ( 7.135 3.485 1.957) 8.178 7.746 ( 4.193 -1.294 -0.514) 4.418 8.789 ( 1.649 -7.307 -9.544) 12.133 8.937 ( -3.093 -4.285 -10.401) 11.667 8.978 ( 6.962 -9.864 -4.706) 12.958 9.345 ( -6.524 -13.306 -2.869) 15.094 19.297 ( 0.419 2.556 -0.421) 2.624 19.307 ( -0.006 2.188 -0.258) 2.203 19.336 ( 0.350 1.942 -0.536) 2.045 19.393 ( -2.311 1.996 -2.456) 3.918 19.552 ( 1.380 0.175 -0.701) 1.558 19.575 ( 0.033 -0.110 -0.711) 0.720 19.653 ( 0.479 -0.956 1.166) 1.583 19.681 ( -0.526 -1.176 -0.047) 1.289 38.318 ( -0.024 0.162 -0.766) 0.783 38.321 ( -0.081 0.041 -0.600) 0.607 38.352 ( 0.474 -0.424 -0.168) 0.658 38.371 ( -0.172 -0.858 0.440) 0.979 60.961 ( 5.261 -3.115 6.965) 9.268 61.193 ( -2.680 -4.422 -0.914) 5.251 61.839 ( 0.333 -16.016 25.878) 30.435 61.909 ( -0.541 -19.368 26.980) 33.216 ======================= Grid point 82 (33/105) ======================= q-point: (-0.50 0.23 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -10.710 19.750 -0.270) 22.469 1.580 ( 10.710 19.750 -0.270) 22.469 1.884 ( -17.207 13.175 6.732) 22.693 1.884 ( 17.207 13.175 6.732) 22.693 2.670 ( -11.753 5.170 6.064) 14.200 2.670 ( 11.753 5.170 6.064) 14.200 3.316 ( -7.103 22.233 4.069) 23.692 3.316 ( 7.103 22.233 4.069) 23.692 3.566 ( -9.835 26.465 3.826) 28.492 3.566 ( 9.835 26.465 3.826) 28.492 4.348 ( -8.534 12.699 1.889) 15.416 4.348 ( 8.534 12.699 1.889) 15.416 5.595 ( -2.421 -6.048 0.660) 6.548 5.595 ( 2.421 -6.048 0.660) 6.548 5.686 ( -2.942 -5.692 5.908) 8.715 5.686 ( 2.942 -5.692 5.908) 8.715 6.396 ( -3.482 1.475 3.128) 4.907 6.396 ( 3.482 1.475 3.128) 4.907 6.577 ( -2.084 2.390 -3.461) 4.694 6.577 ( 2.084 2.390 -3.461) 4.694 6.925 ( -6.977 3.784 -4.409) 9.079 6.925 ( 6.977 3.784 -4.409) 9.079 7.220 ( -3.511 6.484 1.179) 7.467 7.220 ( 3.511 6.484 1.179) 7.467 7.372 ( -2.673 2.623 -1.254) 3.949 7.372 ( 2.673 2.623 -1.254) 3.949 7.777 ( -1.924 0.140 0.913) 2.134 7.777 ( 1.924 0.140 0.913) 2.134 8.849 ( -4.073 -6.224 -11.153) 13.406 8.849 ( 4.073 -6.224 -11.153) 13.406 9.169 ( -10.075 -11.333 -3.618) 15.590 9.169 ( 10.075 -11.333 -3.618) 15.590 19.305 ( -0.250 2.313 -0.371) 2.356 19.305 ( 0.250 2.313 -0.371) 2.356 19.353 ( -1.447 2.199 -1.104) 2.855 19.353 ( 1.447 2.199 -1.104) 2.855 19.571 ( -0.510 -0.065 -0.722) 0.886 19.571 ( 0.510 -0.065 -0.722) 0.886 19.667 ( -0.807 -1.076 0.314) 1.381 19.667 ( 0.807 -1.076 0.314) 1.381 38.319 ( -0.078 0.118 -0.753) 0.767 38.319 ( 0.078 0.118 -0.753) 0.767 38.363 ( -0.553 -0.763 0.376) 1.014 38.363 ( 0.553 -0.763 0.376) 1.014 61.091 ( -6.715 -3.548 3.408) 8.325 61.091 ( 6.715 -3.548 3.408) 8.325 61.874 ( -2.497 -18.341 24.710) 30.874 61.874 ( 2.497 -18.341 24.710) 30.874 ======================= Grid point 85 (34/105) ======================= q-point: ( 0.00 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 0.000 16.771 4.476) 17.358 1.819 ( 0.000 22.944 -2.110) 23.041 2.245 ( 0.000 10.176 0.561) 10.192 2.411 ( 0.000 14.900 -1.445) 14.970 2.658 ( 0.000 5.221 1.701) 5.491 2.900 ( 0.000 1.270 3.453) 3.680 3.086 ( 0.000 6.034 5.642) 8.261 3.690 ( 0.000 -5.214 -2.813) 5.924 3.797 ( 0.000 34.751 5.874) 35.244 4.473 ( 0.000 24.163 -10.167) 26.215 4.768 ( 0.000 24.363 0.805) 24.376 4.799 ( 0.000 22.314 2.566) 22.461 5.397 ( 0.000 -6.793 2.062) 7.098 5.419 ( 0.000 -3.315 -0.363) 3.335 5.688 ( 0.000 -3.991 5.979) 7.188 5.722 ( 0.000 -3.315 3.168) 4.585 6.374 ( 0.000 1.491 1.736) 2.289 6.516 ( 0.000 0.007 -2.284) 2.284 6.632 ( 0.000 1.025 2.505) 2.706 6.681 ( 0.000 -1.061 0.063) 1.063 6.772 ( 0.000 5.948 -8.450) 10.334 7.222 ( 0.000 0.678 -3.472) 3.538 7.232 ( 0.000 -1.432 -8.466) 8.587 7.245 ( 0.000 6.521 -0.185) 6.524 7.397 ( 0.000 -2.857 -1.325) 3.149 7.486 ( 0.000 2.716 -3.422) 4.368 7.686 ( 0.000 0.712 0.310) 0.776 7.694 ( 0.000 6.536 7.501) 9.949 8.590 ( 0.000 -9.946 -4.244) 10.814 8.741 ( 0.000 -8.837 -0.170) 8.839 8.887 ( 0.000 -4.535 -0.743) 4.595 9.136 ( 0.000 -13.910 2.132) 14.072 19.341 ( 0.000 2.307 -0.584) 2.380 19.349 ( 0.000 2.126 -0.439) 2.171 19.367 ( 0.000 1.569 -0.588) 1.675 19.444 ( 0.000 0.501 -2.526) 2.575 19.544 ( 0.000 0.781 -0.048) 0.782 19.574 ( 0.000 0.207 -0.860) 0.884 19.633 ( 0.000 -0.702 1.025) 1.242 19.662 ( 0.000 -1.220 -0.141) 1.229 38.323 ( 0.000 0.251 -0.404) 0.476 38.324 ( 0.000 0.192 -0.327) 0.379 38.344 ( 0.000 -0.091 -0.272) 0.287 38.358 ( 0.000 -0.600 0.146) 0.618 60.861 ( 0.000 -1.301 3.676) 3.900 61.118 ( 0.000 -4.579 -1.623) 4.858 61.571 ( 0.000 -13.278 18.450) 22.732 61.613 ( 0.000 -11.519 13.601) 17.823 ======================= Grid point 86 (35/105) ======================= q-point: ( 0.25 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 5.766 21.207 -1.280) 22.014 1.896 ( 8.561 17.040 3.954) 19.475 2.165 ( -6.830 18.520 -1.387) 19.788 2.428 ( -14.413 8.704 3.147) 17.129 2.524 ( 9.910 6.933 0.401) 12.102 2.950 ( -5.556 3.539 4.218) 7.822 3.207 ( 14.042 1.330 2.660) 14.354 3.645 ( -4.772 -4.011 -0.650) 6.268 3.896 ( 9.374 33.487 4.163) 35.023 4.419 ( -8.549 25.672 -6.996) 27.948 4.654 ( -2.382 25.119 0.018) 25.232 4.810 ( -2.918 19.711 -0.365) 19.930 5.424 ( 2.490 -5.991 1.987) 6.786 5.450 ( 2.588 -3.922 -0.106) 4.700 5.642 ( -3.758 -4.052 6.101) 8.232 5.674 ( -4.199 -3.297 3.500) 6.384 6.383 ( 1.136 1.748 2.104) 2.961 6.522 ( -2.754 1.531 -0.314) 3.167 6.562 ( -0.924 0.275 0.828) 1.271 6.654 ( -2.558 0.249 -1.732) 3.100 6.862 ( 6.850 4.816 -6.898) 10.849 7.146 ( -5.581 3.198 -10.454) 12.275 7.262 ( 2.533 5.125 4.784) 7.454 7.307 ( 4.319 -1.472 -5.212) 6.927 7.385 ( -1.967 0.387 -0.720) 2.130 7.459 ( -1.997 3.230 -1.434) 4.059 7.720 ( 3.523 -0.934 0.506) 3.679 7.749 ( 3.185 3.552 3.946) 6.191 8.621 ( 2.965 -9.488 -4.533) 10.925 8.764 ( 0.412 -9.913 -1.672) 10.061 8.865 ( -0.024 -5.173 0.374) 5.186 9.083 ( -5.044 -13.103 2.104) 14.197 19.344 ( 0.264 2.231 -0.597) 2.325 19.349 ( -0.005 2.103 -0.466) 2.154 19.371 ( 0.484 1.610 -0.677) 1.812 19.422 ( -1.679 1.038 -1.850) 2.706 19.557 ( 0.938 0.388 -0.306) 1.060 19.576 ( 0.069 0.239 -0.806) 0.844 19.635 ( 0.320 -0.818 0.719) 1.135 19.658 ( -0.419 -1.156 -0.128) 1.237 38.323 ( -0.017 0.251 -0.438) 0.505 38.323 ( -0.051 0.205 -0.365) 0.422 38.346 ( 0.215 -0.191 -0.091) 0.302 38.357 ( -0.149 -0.579 0.181) 0.625 60.914 ( 4.942 -1.483 3.020) 5.979 61.113 ( -1.407 -3.578 -2.041) 4.353 61.541 ( -1.111 -13.401 18.610) 22.960 61.609 ( -1.330 -12.868 13.760) 18.886 ======================= Grid point 87 (36/105) ======================= q-point: (-0.50 0.31 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.983 ( -6.966 20.632 -1.306) 21.815 1.983 ( 6.966 20.632 -1.306) 21.815 2.150 ( -12.055 14.477 3.643) 19.188 2.150 ( 12.055 14.476 3.643) 19.188 2.759 ( -11.776 3.762 2.163) 12.550 2.759 ( 11.776 3.762 2.163) 12.550 3.482 ( -11.421 -1.787 1.754) 11.693 3.482 ( 11.421 -1.787 1.754) 11.693 4.150 ( -14.711 30.762 0.210) 34.099 4.150 ( 14.711 30.762 0.210) 34.099 4.711 ( -5.541 20.821 -2.826) 21.730 4.711 ( 5.541 20.821 -2.826) 21.730 5.478 ( -1.467 -5.561 0.361) 5.762 5.478 ( 1.467 -5.561 0.361) 5.762 5.597 ( -1.512 -3.175 5.745) 6.736 5.597 ( 1.512 -3.175 5.745) 6.736 6.431 ( -3.795 2.131 2.750) 5.148 6.431 ( 3.795 2.131 2.750) 5.148 6.601 ( -2.582 0.236 -2.253) 3.435 6.601 ( 2.582 0.236 -2.253) 3.435 7.010 ( -7.385 4.692 -7.986) 11.846 7.010 ( 7.385 4.692 -7.986) 11.846 7.324 ( -3.271 3.393 1.417) 4.921 7.324 ( 3.271 3.393 1.417) 4.921 7.399 ( -3.982 1.124 -2.269) 4.719 7.399 ( 3.982 1.124 -2.269) 4.719 7.777 ( -0.971 -0.071 1.436) 1.735 7.777 ( 0.971 -0.071 1.436) 1.735 8.702 ( -4.623 -8.562 -4.165) 10.584 8.702 ( 4.623 -8.562 -4.165) 10.584 8.954 ( -6.832 -10.494 1.942) 12.672 8.954 ( 6.832 -10.494 1.942) 12.672 19.348 ( -0.111 2.101 -0.538) 2.172 19.348 ( 0.111 2.101 -0.538) 2.172 19.390 ( -1.359 1.548 -1.088) 2.330 19.390 ( 1.359 1.548 -1.088) 2.330 19.572 ( -0.503 0.208 -0.500) 0.739 19.572 ( 0.503 0.208 -0.500) 0.739 19.646 ( -0.663 -1.008 0.096) 1.210 19.646 ( 0.663 -1.008 0.096) 1.210 38.322 ( -0.016 0.239 -0.432) 0.494 38.322 ( 0.016 0.239 -0.432) 0.494 38.352 ( -0.312 -0.429 0.146) 0.550 38.352 ( 0.312 -0.429 0.146) 0.550 61.034 ( -5.938 -2.087 0.562) 6.320 61.034 ( 5.938 -2.087 0.562) 6.320 61.561 ( -2.651 -13.896 15.741) 21.164 61.561 ( 2.651 -13.896 15.741) 21.164 ======================= Grid point 90 (37/105) ======================= q-point: ( 0.00 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.057 ( 0.000 13.155 1.444) 13.234 2.240 ( 0.000 19.394 -5.176) 20.073 2.403 ( 0.000 5.160 0.281) 5.168 2.732 ( 0.000 17.094 -2.636) 17.296 2.762 ( 0.000 6.133 -1.185) 6.247 2.882 ( 0.000 -2.928 0.397) 2.955 3.135 ( 0.000 -0.717 2.943) 3.029 3.538 ( 0.000 -9.144 -1.915) 9.343 4.422 ( 0.000 27.200 -0.647) 27.208 4.806 ( 0.000 9.789 -14.445) 17.449 5.154 ( 0.000 11.395 -10.748) 15.664 5.166 ( 0.000 12.605 -4.421) 13.358 5.299 ( 0.000 -0.937 5.094) 5.180 5.405 ( 0.000 1.436 -0.358) 1.480 5.658 ( 0.000 1.886 7.067) 7.314 5.696 ( 0.000 1.648 5.863) 6.090 6.404 ( 0.000 1.543 1.251) 1.987 6.505 ( 0.000 -1.134 -1.264) 1.698 6.651 ( 0.000 0.906 2.567) 2.722 6.669 ( 0.000 -0.264 0.721) 0.768 6.884 ( 0.000 5.672 -10.712) 12.121 7.176 ( 0.000 -3.796 -8.558) 9.362 7.213 ( 0.000 -0.858 -7.529) 7.578 7.329 ( 0.000 -3.979 -7.189) 8.217 7.370 ( 0.000 5.850 2.657) 6.425 7.525 ( 0.000 1.230 -4.941) 5.092 7.718 ( 0.000 2.717 0.616) 2.786 7.812 ( 0.000 5.243 7.293) 8.982 8.405 ( 0.000 -8.227 2.706) 8.661 8.567 ( 0.000 -8.767 7.611) 11.610 8.790 ( 0.000 -5.235 8.509) 9.991 8.890 ( 0.000 -10.841 7.663) 13.276 19.380 ( 0.000 1.586 -0.698) 1.733 19.388 ( 0.000 1.754 -0.620) 1.861 19.392 ( 0.000 1.017 -0.689) 1.228 19.446 ( 0.000 -0.197 -1.569) 1.582 19.560 ( 0.000 0.861 -0.162) 0.876 19.580 ( 0.000 0.363 -0.894) 0.965 19.620 ( 0.000 -0.550 0.549) 0.777 19.640 ( 0.000 -1.058 -0.207) 1.078 38.328 ( 0.000 0.300 -0.031) 0.302 38.328 ( 0.000 0.259 -0.169) 0.309 38.342 ( 0.000 -0.087 0.180) 0.200 38.348 ( 0.000 -0.419 0.043) 0.421 60.857 ( 0.000 0.991 1.310) 1.643 61.036 ( 0.000 -3.853 -0.841) 3.944 61.370 ( 0.000 -7.528 8.038) 11.012 61.412 ( 0.000 -8.688 6.396) 10.788 ======================= Grid point 91 (38/105) ======================= q-point: ( 0.25 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.168 ( 9.501 13.587 2.354) 16.745 2.281 ( 3.926 19.650 -4.969) 20.645 2.465 ( 3.512 8.970 -1.761) 9.792 2.614 ( -8.173 10.594 1.065) 13.422 2.692 ( -1.573 12.109 -2.544) 12.473 2.979 ( -3.247 -0.978 -0.433) 3.418 3.149 ( 7.796 -6.063 1.927) 10.062 3.502 ( -4.035 -9.385 0.394) 10.223 4.493 ( 6.876 25.777 -2.896) 26.835 4.808 ( -1.276 12.874 -13.514) 18.708 5.049 ( -5.994 12.918 -9.023) 16.859 5.128 ( -4.210 10.863 -6.448) 13.316 5.337 ( 2.959 -1.621 3.719) 5.021 5.426 ( 1.176 1.585 1.693) 2.600 5.596 ( -4.358 -0.002 6.472) 7.802 5.656 ( -3.866 1.979 5.850) 7.286 6.419 ( 1.626 1.914 1.578) 2.966 6.532 ( 2.077 -0.829 -1.369) 2.622 6.575 ( -4.790 1.387 2.265) 5.476 6.649 ( -2.467 -0.590 -0.125) 2.540 6.964 ( 6.545 5.450 -10.178) 13.271 7.182 ( -1.060 0.654 -11.992) 12.057 7.253 ( 3.248 -3.091 -6.846) 8.183 7.350 ( 0.719 -3.184 -6.980) 7.706 7.372 ( 1.934 5.852 5.717) 8.407 7.537 ( -0.447 3.934 -2.828) 4.866 7.703 ( 0.612 -0.493 1.348) 1.560 7.816 ( -0.624 2.676 3.511) 4.459 8.445 ( 3.850 -7.557 3.537) 9.189 8.587 ( 1.197 -8.065 7.053) 10.780 8.748 ( -2.938 -6.399 8.618) 11.128 8.849 ( -3.814 -10.479 8.150) 13.812 19.382 ( 0.166 1.550 -0.704) 1.711 19.387 ( -0.076 1.689 -0.637) 1.807 19.397 ( 0.473 0.998 -0.749) 1.334 19.434 ( -1.024 0.200 -1.341) 1.699 19.567 ( 0.607 0.662 -0.207) 0.922 19.583 ( 0.120 0.450 -0.786) 0.914 19.620 ( 0.095 -0.720 0.358) 0.810 19.636 ( -0.330 -1.032 -0.216) 1.105 38.328 ( -0.020 0.285 -0.116) 0.308 38.328 ( -0.020 0.298 -0.101) 0.315 38.343 ( 0.068 -0.148 0.186) 0.247 38.347 ( -0.081 -0.394 0.107) 0.416 60.908 ( 4.653 0.899 0.884) 4.821 61.056 ( 0.978 -2.337 -1.895) 3.163 61.326 ( -2.724 -8.512 9.178) 12.810 61.391 ( -2.469 -9.385 6.538) 11.701 ======================= Grid point 92 (39/105) ======================= q-point: (-0.50 0.38 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.342 ( -3.595 15.377 -1.008) 15.824 2.342 ( 3.595 15.377 -1.008) 15.824 2.468 ( -4.160 18.130 -0.340) 18.604 2.468 ( 4.160 18.130 -0.340) 18.604 2.803 ( -10.327 0.327 -1.971) 10.518 2.803 ( 10.327 0.327 -1.971) 10.518 3.361 ( -9.794 -9.443 2.230) 13.787 3.361 ( 9.794 -9.443 2.230) 13.787 4.677 ( -10.066 21.682 -7.790) 25.142 4.677 ( 10.066 21.682 -7.790) 25.142 5.035 ( -3.835 10.187 -9.556) 14.484 5.035 ( 3.835 10.187 -9.556) 14.484 5.405 ( -3.373 -0.674 3.804) 5.128 5.405 ( 3.373 -0.674 3.804) 5.128 5.574 ( -2.881 0.738 5.769) 6.490 5.574 ( 2.881 0.738 5.769) 6.490 6.475 ( -3.935 2.295 2.092) 5.012 6.475 ( 3.935 2.295 2.092) 5.013 6.592 ( -2.921 -1.060 -1.097) 3.295 6.592 ( 2.921 -1.060 -1.097) 3.295 7.101 ( -6.210 4.525 -11.422) 13.766 7.101 ( 6.210 4.525 -11.422) 13.766 7.321 ( -2.991 -2.545 -5.101) 6.438 7.321 ( 2.991 -2.545 -5.101) 6.438 7.466 ( -5.499 5.207 1.894) 7.806 7.466 ( 5.499 5.207 1.894) 7.806 7.767 ( -3.970 -1.399 0.232) 4.216 7.767 ( 3.970 -1.399 0.232) 4.216 8.545 ( -5.117 -6.332 5.146) 9.631 8.545 ( 5.117 -6.332 5.146) 9.631 8.758 ( -4.069 -9.589 8.979) 13.752 8.758 ( 4.069 -9.589 8.979) 13.752 19.385 ( -0.122 1.574 -0.673) 1.717 19.385 ( 0.122 1.574 -0.673) 1.717 19.412 ( -1.009 0.752 -0.985) 1.598 19.412 ( 1.009 0.752 -0.985) 1.598 19.579 ( -0.491 0.530 -0.378) 0.816 19.579 ( 0.491 0.530 -0.378) 0.816 19.627 ( -0.510 -0.948 -0.100) 1.081 19.627 ( 0.510 -0.948 -0.100) 1.081 38.328 ( -0.028 0.304 -0.117) 0.327 38.328 ( 0.028 0.304 -0.117) 0.327 38.345 ( -0.133 -0.290 0.182) 0.368 38.345 ( 0.133 -0.290 0.182) 0.368 61.017 ( -4.939 0.465 -0.960) 5.053 61.017 ( 4.939 0.465 -0.960) 5.053 61.326 ( -2.843 -10.259 8.215) 13.447 61.326 ( 2.843 -10.259 8.215) 13.447 ======================= Grid point 95 (40/105) ======================= q-point: ( 0.00 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 0.000 9.288 -0.967) 9.339 2.406 ( 0.000 -3.105 -1.368) 3.393 2.577 ( 0.000 13.173 -4.549) 13.937 2.778 ( 0.000 -7.476 -2.337) 7.833 2.909 ( 0.000 8.495 -1.987) 8.724 3.045 ( 0.000 5.560 -2.542) 6.114 3.078 ( 0.000 3.667 0.039) 3.667 3.332 ( 0.000 -12.112 -1.223) 12.174 4.813 ( 0.000 11.676 -9.854) 15.278 4.898 ( 0.000 0.810 -13.299) 13.324 5.201 ( 0.000 1.267 -5.242) 5.392 5.254 ( 0.000 -1.756 -7.974) 8.165 5.384 ( 0.000 4.206 -1.589) 4.497 5.429 ( 0.000 -0.186 0.309) 0.360 5.746 ( 0.000 4.675 5.541) 7.249 5.765 ( 0.000 2.946 4.590) 5.454 6.435 ( 0.000 1.739 0.743) 1.891 6.473 ( 0.000 -1.987 -0.172) 1.995 6.665 ( 0.000 0.419 2.190) 2.230 6.668 ( 0.000 0.005 1.472) 1.472 6.996 ( 0.000 5.640 -11.761) 13.044 7.095 ( 0.000 -4.505 -9.809) 10.794 7.207 ( 0.000 0.749 -8.797) 8.829 7.251 ( 0.000 -3.558 -10.207) 10.809 7.469 ( 0.000 4.148 0.642) 4.197 7.525 ( 0.000 -1.464 -3.123) 3.449 7.794 ( 0.000 4.824 -1.451) 5.037 7.865 ( 0.000 -0.855 -0.212) 0.880 8.316 ( 0.000 0.388 14.436) 14.441 8.406 ( 0.000 -7.318 15.277) 16.940 8.708 ( 0.000 -2.205 13.462) 13.641 8.732 ( 0.000 -4.866 12.458) 13.375 19.402 ( 0.000 0.650 -0.743) 0.988 19.405 ( 0.000 0.263 -0.740) 0.786 19.417 ( 0.000 1.263 -0.794) 1.492 19.437 ( 0.000 -0.750 -1.056) 1.296 19.576 ( 0.000 0.724 -0.296) 0.782 19.585 ( 0.000 -0.081 -0.629) 0.635 19.614 ( 0.000 0.000 0.090) 0.090 19.622 ( 0.000 -0.732 -0.218) 0.764 38.333 ( 0.000 0.216 0.025) 0.217 38.334 ( 0.000 0.206 0.284) 0.350 38.340 ( 0.000 -0.106 0.308) 0.326 38.342 ( 0.000 -0.258 0.007) 0.258 60.897 ( 0.000 2.963 0.905) 3.098 60.964 ( 0.000 -3.605 0.618) 3.657 61.275 ( 0.000 -2.209 1.999) 2.979 61.288 ( 0.000 -3.645 1.389) 3.901 ======================= Grid point 96 (41/105) ======================= q-point: ( 0.25 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 9.791 9.068 -0.515) 13.355 2.505 ( 9.216 -1.766 -2.814) 9.797 2.631 ( 4.313 14.173 -4.842) 15.586 2.789 ( -1.531 4.693 -0.921) 5.022 2.899 ( -0.815 -2.657 -3.527) 4.491 2.998 ( -6.959 7.404 -0.115) 10.162 3.008 ( -0.988 -0.360 -1.005) 1.455 3.285 ( -4.984 -12.926 0.465) 13.862 4.856 ( 4.301 10.689 -11.212) 16.077 4.937 ( 3.723 1.365 -13.642) 14.207 5.151 ( -5.149 2.066 -10.482) 11.859 5.204 ( -4.976 -1.730 -11.320) 12.485 5.390 ( 2.145 5.324 3.819) 6.894 5.464 ( 3.368 -0.654 3.588) 4.964 5.657 ( -7.282 5.221 6.181) 10.886 5.708 ( -5.494 1.056 4.514) 7.189 6.457 ( 2.148 2.075 0.916) 3.124 6.500 ( 2.417 -2.141 -0.152) 3.232 6.606 ( -4.290 1.541 1.606) 4.833 6.632 ( -3.259 -1.122 0.917) 3.567 7.069 ( 5.959 5.128 -11.407) 13.853 7.155 ( 4.846 -3.492 -9.391) 11.129 7.230 ( 0.876 1.240 -11.218) 11.320 7.280 ( 1.400 -3.526 -10.730) 11.381 7.485 ( 2.521 5.401 2.400) 6.425 7.565 ( 4.009 -2.007 -2.552) 5.159 7.736 ( -5.135 4.396 0.180) 6.762 7.822 ( -4.332 -2.704 -1.408) 5.297 8.371 ( 5.064 0.728 14.198) 15.092 8.450 ( 4.022 -6.054 14.881) 16.561 8.651 ( -5.105 -2.198 13.494) 14.594 8.688 ( -4.228 -5.615 13.169) 14.927 19.404 ( 0.199 0.691 -0.756) 1.043 19.409 ( 0.342 0.198 -0.773) 0.868 19.415 ( -0.233 1.134 -0.788) 1.400 19.431 ( -0.532 -0.518 -0.995) 1.241 19.581 ( 0.501 0.727 -0.272) 0.924 19.590 ( 0.456 0.045 -0.606) 0.760 19.610 ( -0.332 -0.144 0.053) 0.366 19.618 ( -0.351 -0.792 -0.252) 0.903 38.333 ( 0.016 0.266 0.141) 0.302 38.334 ( 0.020 0.236 0.130) 0.270 38.340 ( -0.037 -0.166 0.305) 0.349 38.341 ( -0.060 -0.280 0.073) 0.295 60.948 ( 4.669 3.010 0.781) 5.610 61.010 ( 4.134 -2.829 0.321) 5.020 61.219 ( -4.776 -1.983 2.159) 5.604 61.250 ( -3.810 -4.757 1.586) 6.298 ======================= Grid point 97 (42/105) ======================= q-point: (-0.50 0.46 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.593 ( -8.283 10.524 -2.823) 13.687 2.593 ( 8.283 10.524 -2.823) 13.687 2.742 ( -12.014 -2.790 -3.364) 12.785 2.742 ( 12.014 -2.790 -3.364) 12.785 2.837 ( -7.620 14.809 -0.895) 16.679 2.837 ( 7.620 14.810 -0.895) 16.679 3.133 ( -9.159 -13.673 1.223) 16.502 3.133 ( 9.159 -13.673 1.223) 16.502 4.971 ( -5.094 9.218 -13.006) 16.735 4.971 ( 5.094 9.218 -13.006) 16.735 5.087 ( -4.257 -3.039 -13.369) 14.356 5.087 ( 4.257 -3.039 -13.369) 14.356 5.485 ( -6.189 7.043 6.748) 11.552 5.485 ( 6.189 7.043 6.748) 11.552 5.581 ( -5.465 -1.667 4.901) 7.527 5.581 ( 5.465 -1.667 4.901) 7.527 6.519 ( -3.863 2.219 1.266) 4.631 6.519 ( 3.863 2.219 1.266) 4.631 6.561 ( -3.441 -1.984 0.135) 3.974 6.561 ( 3.441 -1.984 0.135) 3.974 7.185 ( -4.280 3.985 -12.167) 13.500 7.185 ( 4.280 3.985 -12.167) 13.500 7.258 ( -3.401 -3.595 -9.457) 10.673 7.258 ( 3.401 -3.595 -9.457) 10.673 7.585 ( -5.982 6.656 0.900) 8.994 7.585 ( 5.982 6.656 0.900) 8.994 7.705 ( -5.952 -5.012 -1.295) 7.888 7.705 ( 5.952 -5.012 -1.295) 7.888 8.492 ( -4.957 1.323 13.579) 14.516 8.492 ( 4.957 1.323 13.579) 14.516 8.586 ( -3.882 -7.547 14.344) 16.667 8.586 ( 3.882 -7.547 14.344) 16.667 19.409 ( -0.290 0.881 -0.773) 1.208 19.409 ( 0.290 0.881 -0.773) 1.208 19.419 ( -0.604 -0.094 -0.872) 1.065 19.419 ( 0.604 -0.094 -0.872) 1.065 19.592 ( -0.437 0.784 -0.314) 0.951 19.592 ( 0.437 0.784 -0.314) 0.951 19.609 ( -0.427 -0.899 -0.236) 1.023 19.609 ( 0.427 -0.899 -0.236) 1.023 38.334 ( -0.026 0.310 0.118) 0.333 38.334 ( 0.027 0.310 0.118) 0.333 38.340 ( -0.038 -0.282 0.218) 0.358 38.340 ( 0.038 -0.282 0.218) 0.358 61.056 ( -3.902 3.603 -0.347) 5.323 61.056 ( 3.902 3.603 -0.347) 5.323 61.159 ( -3.131 -6.914 2.740) 8.069 61.159 ( 3.131 -6.914 2.740) 8.069 ======================= Grid point 130 (43/105) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 0.000 18.351) 18.351 0.864 ( 0.000 0.000 18.504) 18.504 1.545 ( 0.000 0.000 2.448) 2.448 1.887 ( 0.000 0.000 6.524) 6.524 2.026 ( 0.000 0.000 8.307) 8.307 2.072 ( 0.000 0.000 47.771) 47.771 2.269 ( 0.000 0.000 13.198) 13.198 2.373 ( 0.000 0.000 3.288) 3.288 3.299 ( 0.000 0.000 26.351) 26.351 3.527 ( 0.000 0.000 -2.023) 2.023 4.309 ( 0.000 0.000 14.559) 14.559 4.518 ( 0.000 0.000 22.679) 22.679 5.819 ( 0.000 0.000 -14.933) 14.933 5.842 ( 0.000 0.000 -3.577) 3.577 5.997 ( 0.000 0.000 4.403) 4.403 6.058 ( 0.000 0.000 -1.511) 1.511 6.152 ( 0.000 0.000 -3.587) 3.587 6.227 ( 0.000 0.000 -1.530) 1.530 6.289 ( 0.000 0.000 -2.030) 2.030 6.670 ( 0.000 0.000 -3.544) 3.544 6.671 ( 0.000 0.000 7.811) 7.811 6.801 ( 0.000 0.000 -2.881) 2.881 6.928 ( 0.000 0.000 -1.692) 1.692 6.985 ( 0.000 0.000 -5.226) 5.226 7.062 ( 0.000 0.000 -3.423) 3.423 7.219 ( 0.000 0.000 7.311) 7.311 7.333 ( 0.000 0.000 5.478) 5.478 7.639 ( 0.000 0.000 -6.091) 6.091 8.539 ( 0.000 0.000 -13.314) 13.314 8.830 ( 0.000 0.000 -14.470) 14.470 9.247 ( 0.000 0.000 -10.176) 10.176 9.660 ( 0.000 0.000 -13.672) 13.672 19.197 ( 0.000 0.000 0.403) 0.403 19.221 ( 0.000 0.000 0.095) 0.095 19.236 ( 0.000 0.000 0.362) 0.362 19.259 ( 0.000 0.000 -0.054) 0.054 19.518 ( 0.000 0.000 0.471) 0.471 19.577 ( 0.000 0.000 -0.814) 0.814 19.718 ( 0.000 0.000 0.048) 0.048 19.726 ( 0.000 0.000 -0.346) 0.346 38.317 ( 0.000 0.000 0.966) 0.966 38.318 ( 0.000 0.000 0.114) 0.114 38.405 ( 0.000 0.000 -0.882) 0.882 38.406 ( 0.000 0.000 -1.765) 1.765 61.527 ( 0.000 0.000 23.446) 23.446 61.536 ( 0.000 0.000 12.132) 12.132 63.029 ( 0.000 0.000 34.723) 34.723 64.675 ( 0.000 0.000 -4.050) 4.050 ======================= Grid point 131 (44/105) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 9.557 0.000 15.378) 18.106 0.965 ( 8.370 0.000 13.941) 16.261 1.411 ( -11.222 0.000 5.426) 12.465 1.571 ( -20.873 0.000 7.094) 22.046 2.115 ( 6.813 0.000 6.268) 9.258 2.217 ( 16.640 0.000 34.223) 38.054 2.341 ( -3.127 0.000 3.545) 4.727 2.633 ( 23.722 0.000 22.462) 32.669 3.062 ( -17.677 0.000 13.153) 22.033 3.540 ( -9.031 0.000 28.654) 30.044 4.184 ( -0.994 0.000 3.798) 3.926 4.520 ( -4.519 0.000 15.040) 15.704 5.839 ( 1.960 0.000 -11.898) 12.058 5.869 ( 1.545 0.000 -5.482) 5.696 6.068 ( 0.963 0.000 -1.675) 1.932 6.094 ( 8.677 0.000 5.582) 10.317 6.131 ( -1.716 0.000 -2.895) 3.366 6.244 ( 1.225 0.000 -1.990) 2.337 6.283 ( -0.531 0.000 -2.097) 2.163 6.518 ( -9.456 0.000 5.855) 11.122 6.765 ( 4.297 0.000 1.495) 4.550 6.816 ( 1.367 0.000 -2.887) 3.195 6.899 ( -2.195 0.000 -2.538) 3.355 7.007 ( 1.553 0.000 -4.290) 4.562 7.019 ( -9.544 0.000 5.466) 10.999 7.056 ( -0.663 0.000 -3.506) 3.568 7.591 ( 13.466 0.000 2.589) 13.713 7.702 ( 4.823 0.000 -7.073) 8.561 8.554 ( 2.749 0.000 -13.488) 13.765 8.849 ( -2.154 0.000 -11.236) 11.441 9.205 ( 0.302 0.000 -11.796) 11.800 9.569 ( -8.530 0.000 -13.873) 16.286 19.200 ( 0.215 0.000 0.388) 0.443 19.214 ( -0.446 0.000 0.234) 0.503 19.242 ( 0.444 0.000 0.208) 0.490 19.257 ( -0.213 0.000 -0.023) 0.214 19.534 ( 1.316 0.000 -0.006) 1.316 19.574 ( -0.350 0.000 -0.711) 0.793 19.716 ( -0.154 0.000 -0.001) 0.154 19.722 ( -0.347 0.000 -0.330) 0.479 38.306 ( -0.447 0.000 0.304) 0.541 38.316 ( -0.491 0.000 0.148) 0.512 38.415 ( 1.277 0.000 -0.995) 1.619 38.431 ( 1.264 0.000 -1.569) 2.015 61.537 ( 0.840 0.000 21.497) 21.513 61.545 ( 0.651 0.000 14.687) 14.702 63.184 ( 15.375 0.000 32.647) 36.086 64.304 ( -31.314 0.000 10.553) 33.045 ======================= Grid point 132 (45/105) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( -13.172 0.000 10.130) 16.617 1.154 ( 13.172 0.000 10.130) 16.617 1.196 ( -15.098 0.000 8.606) 17.379 1.196 ( 15.098 0.000 8.606) 17.379 2.249 ( -5.866 0.000 4.421) 7.346 2.249 ( 5.866 0.000 4.421) 7.346 2.643 ( -22.548 0.000 18.468) 29.146 2.643 ( 22.548 0.000 18.468) 29.146 3.140 ( -25.084 0.000 32.602) 41.135 3.140 ( 25.084 0.000 32.602) 41.135 4.338 ( -11.461 0.000 5.414) 12.675 4.338 ( 11.461 0.000 5.414) 12.675 5.876 ( -1.017 0.000 -8.170) 8.233 5.876 ( 1.017 0.000 -8.170) 8.233 6.095 ( -1.665 0.000 -2.148) 2.717 6.095 ( 1.665 0.000 -2.148) 2.717 6.267 ( -1.018 0.000 -2.181) 2.407 6.267 ( 1.018 0.000 -2.181) 2.407 6.304 ( -11.146 0.000 7.124) 13.228 6.304 ( 11.146 0.000 7.124) 13.228 6.853 ( -2.189 0.000 -2.849) 3.593 6.853 ( 2.189 0.000 -2.849) 3.593 6.865 ( -5.978 0.000 3.093) 6.731 6.865 ( 5.978 0.000 3.093) 6.731 7.036 ( -1.239 0.000 -3.762) 3.960 7.036 ( 1.239 0.000 -3.762) 3.960 7.753 ( -1.796 0.000 -3.709) 4.121 7.753 ( 1.796 0.000 -3.709) 4.121 8.688 ( -10.006 0.000 -10.835) 14.748 8.688 ( 10.006 0.000 -10.835) 14.748 9.352 ( -11.417 0.000 -13.907) 17.992 9.352 ( 11.417 0.000 -13.907) 17.992 19.206 ( -0.386 0.000 0.337) 0.513 19.206 ( 0.386 0.000 0.337) 0.513 19.250 ( -0.384 0.000 0.066) 0.389 19.250 ( 0.384 0.000 0.066) 0.389 19.560 ( -1.061 0.000 -0.491) 1.169 19.560 ( 1.061 0.000 -0.491) 1.169 19.716 ( -0.204 0.000 -0.194) 0.282 19.716 ( 0.204 0.000 -0.194) 0.282 38.306 ( -0.367 0.000 0.015) 0.368 38.306 ( 0.367 0.000 0.015) 0.368 38.439 ( -0.611 0.000 -1.237) 1.380 38.439 ( 0.611 0.000 -1.237) 1.380 61.551 ( -0.265 0.000 18.368) 18.369 61.551 ( 0.265 0.000 18.368) 18.369 63.646 ( -29.595 0.000 26.398) 39.657 63.646 ( 29.595 0.000 26.398) 39.657 ======================= Grid point 135 (46/105) ======================= q-point: ( 0.00 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.953 ( 0.000 9.174 15.309) 17.847 1.043 ( 0.000 17.804 19.653) 26.518 1.810 ( 0.000 24.114 2.986) 24.299 1.899 ( 0.000 1.572 7.809) 7.966 2.024 ( 0.000 7.685 17.427) 19.046 2.249 ( 0.000 -0.665 11.737) 11.756 2.370 ( 0.000 22.056 30.156) 37.361 2.604 ( 0.000 20.603 3.573) 20.911 3.306 ( 0.000 0.948 24.058) 24.077 3.519 ( 0.000 -0.437 -3.865) 3.890 4.311 ( 0.000 0.462 14.929) 14.936 4.511 ( 0.000 -0.471 21.793) 21.798 5.724 ( 0.000 -7.648 -11.827) 14.084 5.782 ( 0.000 -5.324 -3.540) 6.393 5.973 ( 0.000 -1.858 4.258) 4.646 6.151 ( 0.000 7.334 -3.544) 8.145 6.219 ( 0.000 -1.474 2.523) 2.922 6.237 ( 0.000 6.218 -4.428) 7.634 6.316 ( 0.000 2.529 -2.587) 3.618 6.670 ( 0.000 0.085 -7.087) 7.088 6.670 ( 0.000 -0.023 6.992) 6.992 6.854 ( 0.000 5.207 -1.715) 5.482 6.986 ( 0.000 5.160 -1.384) 5.342 7.045 ( 0.000 4.528 -4.471) 6.364 7.103 ( 0.000 4.033 -0.838) 4.119 7.269 ( 0.000 5.620 2.415) 6.117 7.346 ( 0.000 1.894 4.235) 4.639 7.639 ( 0.000 -0.037 -5.469) 5.469 8.551 ( 0.000 1.452 -13.407) 13.486 8.796 ( 0.000 -3.410 -14.198) 14.602 9.163 ( 0.000 -7.967 -9.485) 12.387 9.616 ( 0.000 -4.414 -12.746) 13.489 19.209 ( 0.000 1.178 0.285) 1.212 19.244 ( 0.000 0.834 0.263) 0.874 19.247 ( 0.000 2.400 -0.970) 2.588 19.268 ( 0.000 0.864 -0.157) 0.878 19.520 ( 0.000 0.155 0.431) 0.458 19.574 ( 0.000 -0.271 -0.732) 0.781 19.710 ( 0.000 -0.794 0.189) 0.816 19.721 ( 0.000 -0.573 -0.327) 0.660 38.317 ( 0.000 -0.088 0.869) 0.874 38.317 ( 0.000 -0.121 0.116) 0.167 38.384 ( 0.000 -1.775 -0.574) 1.866 38.399 ( 0.000 -0.704 -1.695) 1.835 61.468 ( 0.000 -5.809 22.111) 22.861 61.499 ( 0.000 -3.660 11.301) 11.879 62.933 ( 0.000 -9.602 33.230) 34.589 64.235 ( 0.000 -39.775 11.802) 41.489 ======================= Grid point 136 (47/105) ======================= q-point: ( 0.25 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 5.455 6.135 13.040) 15.409 1.138 ( 7.761 17.264 15.148) 24.244 1.603 ( -17.467 5.732 7.488) 19.850 1.668 ( -12.027 20.632 5.604) 24.530 2.165 ( 13.253 8.259 14.098) 21.038 2.411 ( 6.644 15.767 13.749) 21.950 2.576 ( 1.167 21.119 8.408) 22.761 2.654 ( 21.352 3.729 23.565) 32.018 3.081 ( -15.927 2.346 11.215) 19.620 3.559 ( -7.618 2.167 25.295) 26.506 4.173 ( -1.764 -0.857 4.747) 5.136 4.513 ( -4.620 -0.540 14.573) 15.297 5.752 ( 2.255 -7.326 -10.050) 12.640 5.806 ( 1.036 -4.878 -4.330) 6.605 5.992 ( 3.097 -4.294 6.335) 8.256 6.168 ( -2.161 0.479 1.902) 2.919 6.202 ( 2.557 5.865 -4.985) 8.111 6.265 ( 1.182 3.422 -2.160) 4.216 6.318 ( 0.778 3.310 -1.805) 3.850 6.546 ( -7.731 2.430 2.250) 8.410 6.746 ( 3.600 -1.268 -0.021) 3.817 6.859 ( 0.170 3.838 -1.511) 4.128 6.952 ( -2.412 3.539 -1.731) 4.620 7.018 ( -6.076 3.184 2.244) 7.217 7.077 ( 1.883 6.318 -3.637) 7.529 7.157 ( -2.511 7.991 -1.744) 8.555 7.599 ( 12.939 0.877 1.443) 13.048 7.702 ( 4.853 0.060 -6.446) 8.068 8.553 ( 1.768 0.143 -14.059) 14.171 8.817 ( -2.267 -3.018 -11.010) 11.639 9.139 ( 1.991 -6.291 -11.573) 13.322 9.526 ( -8.458 -4.301 -12.971) 16.071 19.212 ( 0.280 1.232 0.244) 1.287 19.233 ( -0.663 1.574 -0.148) 1.714 19.254 ( 0.364 1.356 -0.252) 1.426 19.266 ( -0.173 0.903 -0.144) 0.931 19.535 ( 1.258 0.092 -0.028) 1.261 19.572 ( -0.288 -0.209 -0.654) 0.745 19.708 ( -0.104 -0.738 0.098) 0.752 19.716 ( -0.374 -0.599 -0.298) 0.767 38.305 ( -0.429 -0.040 0.244) 0.495 38.314 ( -0.461 -0.127 0.119) 0.493 38.401 ( 1.299 -1.409 -0.613) 2.012 38.415 ( 1.039 -1.358 -1.511) 2.282 61.484 ( 1.317 -5.292 20.949) 21.647 61.506 ( 0.463 -3.844 12.943) 13.510 63.061 ( 12.652 -12.170 31.777) 36.303 63.956 ( -23.960 -32.069 19.374) 44.473 ======================= Grid point 137 (48/105) ======================= q-point: (-0.50 0.08 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -8.735 3.899 8.625) 12.880 1.173 ( 8.735 3.899 8.625) 12.880 1.447 ( -7.495 20.545 10.169) 24.119 1.447 ( 7.495 20.545 10.169) 24.119 2.404 ( -7.742 13.320 5.977) 16.525 2.404 ( 7.742 13.320 5.977) 16.525 2.738 ( -15.855 10.657 12.501) 22.830 2.738 ( 15.855 10.657 12.501) 22.830 3.164 ( -25.611 2.968 31.827) 40.960 3.164 ( 25.611 2.968 31.827) 40.960 4.327 ( -11.753 -0.976 5.479) 13.004 4.327 ( 11.753 -0.976 5.479) 13.004 5.796 ( -1.712 -6.151 -6.380) 9.026 5.796 ( 1.712 -6.151 -6.380) 9.026 6.090 ( -5.079 -3.464 4.775) 7.784 6.090 ( 5.079 -3.464 4.775) 7.784 6.259 ( -1.822 3.436 -4.483) 5.935 6.259 ( 1.822 3.436 -4.483) 5.935 6.389 ( -6.500 4.836 1.958) 8.335 6.389 ( 6.500 4.836 1.958) 8.335 6.824 ( -3.747 -1.295 0.211) 3.970 6.824 ( 3.747 -1.295 0.211) 3.970 6.936 ( -1.753 5.860 -0.649) 6.151 6.936 ( 1.753 5.860 -0.649) 6.151 7.117 ( -1.886 7.251 -2.941) 8.049 7.117 ( 1.886 7.251 -2.941) 8.049 7.755 ( -1.682 0.165 -3.557) 3.938 7.755 ( 1.682 0.165 -3.557) 3.938 8.666 ( -8.961 -2.052 -11.640) 14.833 8.666 ( 8.961 -2.052 -11.640) 14.833 9.307 ( -11.758 -4.351 -13.169) 18.183 9.307 ( 11.758 -4.351 -13.169) 18.183 19.220 ( -0.534 1.396 0.098) 1.498 19.220 ( 0.534 1.396 0.098) 1.498 19.261 ( -0.297 1.043 -0.139) 1.094 19.261 ( 0.297 1.043 -0.139) 1.094 19.559 ( -0.976 -0.058 -0.478) 1.088 19.559 ( 0.976 -0.058 -0.478) 1.088 19.709 ( -0.240 -0.657 -0.139) 0.714 19.709 ( 0.240 -0.657 -0.139) 0.714 38.305 ( -0.336 -0.050 -0.016) 0.340 38.305 ( 0.336 -0.050 -0.016) 0.340 38.422 ( -0.452 -1.515 -1.032) 1.888 38.422 ( 0.452 -1.515 -1.032) 1.888 61.506 ( -0.607 -4.398 17.175) 17.740 61.506 ( 0.607 -4.398 17.175) 17.740 63.438 ( -23.919 -19.893 27.992) 41.850 63.438 ( 23.919 -19.893 27.992) 41.850 ======================= Grid point 140 (49/105) ======================= q-point: ( 0.00 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( 0.000 16.260 10.241) 19.216 1.336 ( 0.000 11.894 22.551) 25.495 1.961 ( 0.000 4.765 5.072) 6.960 2.212 ( 0.000 3.033 10.668) 11.090 2.313 ( 0.000 18.784 7.770) 20.328 2.396 ( 0.000 27.039 2.785) 27.182 2.864 ( 0.000 27.146 26.956) 38.256 3.035 ( 0.000 16.936 9.206) 19.276 3.388 ( 0.000 11.739 10.548) 15.782 3.531 ( 0.000 2.213 -8.271) 8.562 4.347 ( 0.000 3.897 14.033) 14.564 4.515 ( 0.000 1.412 18.238) 18.292 5.574 ( 0.000 -7.188 -8.120) 10.844 5.664 ( 0.000 -6.284 -2.692) 6.837 5.928 ( 0.000 -2.778 4.464) 5.257 6.130 ( 0.000 -6.399 9.021) 11.060 6.297 ( 0.000 5.764 -7.504) 9.462 6.338 ( 0.000 3.272 -1.893) 3.780 6.387 ( 0.000 5.116 -5.224) 7.311 6.672 ( 0.000 0.027 -7.323) 7.323 6.674 ( 0.000 0.509 5.319) 5.344 6.989 ( 0.000 7.870 0.908) 7.922 7.078 ( 0.000 3.224 -1.501) 3.556 7.086 ( 0.000 0.074 -3.038) 3.039 7.221 ( 0.000 6.604 -3.778) 7.608 7.419 ( 0.000 7.795 0.335) 7.803 7.440 ( 0.000 8.234 2.565) 8.624 7.638 ( 0.000 -0.027 -4.094) 4.095 8.607 ( 0.000 4.485 -12.598) 13.372 8.705 ( 0.000 -5.601 -13.049) 14.200 8.980 ( 0.000 -9.500 -8.181) 12.537 9.495 ( 0.000 -7.631 -9.959) 12.547 19.241 ( 0.000 2.001 -0.008) 2.001 19.267 ( 0.000 1.492 -0.008) 1.492 19.290 ( 0.000 1.451 -0.421) 1.511 19.301 ( 0.000 2.870 -2.348) 3.709 19.524 ( 0.000 0.312 0.316) 0.444 19.568 ( 0.000 -0.338 -0.576) 0.668 19.690 ( 0.000 -1.179 0.350) 1.230 19.705 ( 0.000 -1.011 -0.290) 1.052 38.315 ( 0.000 -0.054 0.630) 0.633 38.315 ( 0.000 -0.048 0.120) 0.129 38.351 ( 0.000 -1.315 -0.440) 1.387 38.382 ( 0.000 -0.947 -1.464) 1.744 61.316 ( 0.000 -9.193 18.226) 20.413 61.399 ( 0.000 -6.323 8.973) 10.977 62.671 ( 0.000 -16.653 28.839) 33.301 63.363 ( 0.000 -45.011 27.473) 52.733 ======================= Grid point 141 (50/105) ======================= q-point: ( 0.25 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 1.891 13.161 10.268) 16.800 1.444 ( 4.329 13.980 13.347) 19.807 1.732 ( -9.060 7.574 9.284) 15.021 2.108 ( -12.830 20.288 8.648) 25.514 2.427 ( 12.381 11.913 8.797) 19.302 2.651 ( 16.055 14.099 4.526) 21.841 2.901 ( 0.280 16.818 18.405) 24.933 3.039 ( 4.709 22.626 16.444) 28.364 3.222 ( -9.389 15.938 1.794) 18.585 3.640 ( -2.135 6.680 13.392) 15.117 4.174 ( -4.865 2.027 7.247) 8.961 4.512 ( -5.137 0.946 12.146) 13.222 5.608 ( 2.959 -6.898 -6.949) 10.229 5.696 ( 1.546 -6.248 -3.558) 7.354 5.912 ( 0.247 -3.947 7.129) 8.152 6.088 ( -3.976 -6.697 8.413) 11.464 6.320 ( 1.813 5.247 -7.206) 9.096 6.356 ( 1.177 3.950 -1.921) 4.547 6.387 ( 0.878 4.049 -3.654) 5.525 6.592 ( -5.803 1.966 0.893) 6.192 6.728 ( 3.428 -0.491 -1.616) 3.821 6.917 ( -5.649 1.353 -1.388) 5.972 7.040 ( 0.814 7.027 -0.166) 7.076 7.147 ( -2.114 7.728 -0.212) 8.015 7.199 ( 2.278 4.858 -3.321) 6.310 7.327 ( -3.080 8.290 -0.105) 8.845 7.635 ( 10.239 3.123 -0.109) 10.705 7.705 ( 5.034 0.303 -4.572) 6.807 8.566 ( -0.643 0.995 -14.366) 14.415 8.751 ( -2.197 -2.784 -9.865) 10.483 8.990 ( 5.361 -8.126 -10.442) 14.276 9.410 ( -8.084 -7.267 -10.217) 14.918 19.245 ( 0.363 2.025 -0.082) 2.059 19.264 ( -0.302 1.672 -0.158) 1.707 19.290 ( -0.052 1.536 -0.463) 1.605 19.295 ( -0.436 2.491 -1.572) 2.978 19.538 ( 1.099 0.202 -0.090) 1.121 19.567 ( -0.147 -0.255 -0.541) 0.616 19.689 ( -0.024 -1.141 0.223) 1.163 19.700 ( -0.414 -1.021 -0.250) 1.130 38.305 ( -0.363 0.086 0.109) 0.389 38.312 ( -0.372 -0.049 0.063) 0.381 38.370 ( 1.288 -1.504 -0.286) 2.001 38.388 ( 0.415 -1.289 -1.270) 1.856 61.343 ( 2.303 -8.640 17.155) 19.346 61.402 ( 0.019 -6.567 10.301) 12.216 62.740 ( 6.943 -19.685 28.447) 35.284 63.224 ( -12.223 -39.204 28.007) 49.706 ======================= Grid point 142 (51/105) ======================= q-point: (-0.50 0.15 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.321 ( -9.311 11.259 6.035) 15.808 1.321 ( 9.311 11.259 6.035) 15.808 1.839 ( -12.807 16.832 13.349) 25.010 1.839 ( 12.807 16.832 13.349) 25.010 2.671 ( -10.691 12.492 6.957) 17.854 2.671 ( 10.691 12.492 6.957) 17.854 3.035 ( -9.946 16.720 3.777) 19.818 3.035 ( 9.946 16.720 3.777) 19.818 3.325 ( -21.163 16.085 24.851) 36.389 3.325 ( 21.163 16.085 24.851) 36.389 4.313 ( -12.424 0.176 4.717) 13.290 4.313 ( 12.424 0.176 4.717) 13.290 5.674 ( -3.057 -6.107 -4.994) 8.460 5.674 ( 3.057 -6.107 -4.994) 8.460 5.983 ( -5.633 -6.454 8.614) 12.149 5.983 ( 5.633 -6.454 8.614) 12.149 6.351 ( -1.103 4.790 -5.913) 7.690 6.351 ( 1.103 4.790 -5.913) 7.690 6.464 ( -5.905 2.784 1.076) 6.617 6.464 ( 5.905 2.784 1.076) 6.617 6.811 ( -4.675 0.080 -1.634) 4.953 6.811 ( 4.675 0.080 -1.634) 4.953 7.081 ( -2.961 8.413 -0.118) 8.920 7.081 ( 2.961 8.413 -0.118) 8.920 7.266 ( -3.241 6.627 -1.471) 7.522 7.266 ( 3.241 6.627 -1.471) 7.522 7.762 ( -1.151 0.631 -2.783) 3.077 7.762 ( 1.151 0.631 -2.783) 3.077 8.626 ( -6.438 -1.430 -12.365) 14.014 8.626 ( 6.438 -1.430 -12.365) 14.014 9.195 ( -12.063 -6.668 -10.710) 17.455 9.195 ( 12.063 -6.668 -10.710) 17.455 19.255 ( -0.578 1.999 -0.246) 2.096 19.255 ( 0.578 1.999 -0.246) 2.096 19.290 ( -0.084 1.821 -0.682) 1.946 19.290 ( 0.084 1.821 -0.682) 1.946 19.558 ( -0.766 -0.038 -0.450) 0.889 19.558 ( 0.766 -0.038 -0.450) 0.889 19.692 ( -0.314 -1.069 -0.062) 1.116 19.692 ( 0.314 -1.069 -0.062) 1.116 38.305 ( -0.257 0.081 -0.067) 0.278 38.305 ( 0.257 0.081 -0.067) 0.278 38.389 ( -0.468 -1.637 -0.719) 1.848 38.389 ( 0.468 -1.637 -0.719) 1.848 61.388 ( -1.601 -7.434 13.868) 15.816 61.388 ( 1.601 -7.434 13.868) 15.816 62.949 ( -13.140 -28.166 28.226) 41.984 62.949 ( 13.140 -28.166 28.226) 41.984 ======================= Grid point 145 (52/105) ======================= q-point: ( 0.00 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.556 ( 0.000 18.348 7.346) 19.764 1.560 ( 0.000 12.108 15.248) 19.471 2.084 ( 0.000 7.819 2.127) 8.103 2.254 ( 0.000 3.457 5.905) 6.842 2.611 ( 0.000 9.616 5.601) 11.128 2.888 ( 0.000 18.622 5.737) 19.485 3.157 ( 0.000 1.429 13.759) 13.833 3.381 ( 0.000 23.109 9.572) 25.013 3.626 ( 0.000 8.830 0.251) 8.833 3.804 ( 0.000 24.641 -6.693) 25.534 4.489 ( 0.000 10.929 7.163) 13.067 4.595 ( 0.000 7.397 9.628) 12.142 5.457 ( 0.000 -4.549 -4.679) 6.526 5.544 ( 0.000 -5.885 -0.939) 5.960 5.867 ( 0.000 -3.261 4.956) 5.933 5.979 ( 0.000 -8.372 9.170) 12.417 6.378 ( 0.000 1.399 -0.194) 1.412 6.380 ( 0.000 2.877 -7.554) 8.083 6.495 ( 0.000 5.445 -6.584) 8.544 6.671 ( 0.000 -0.031 -4.318) 4.318 6.689 ( 0.000 0.963 4.090) 4.202 7.064 ( 0.000 -2.154 -7.470) 7.774 7.065 ( 0.000 -0.646 -3.948) 4.000 7.188 ( 0.000 8.893 3.189) 9.447 7.324 ( 0.000 3.581 -5.832) 6.844 7.493 ( 0.000 -1.187 3.067) 3.288 7.641 ( 0.000 11.082 4.093) 11.813 7.654 ( 0.000 2.032 -2.165) 2.969 8.592 ( 0.000 -5.441 -9.841) 11.245 8.716 ( 0.000 5.545 -8.459) 10.114 8.843 ( 0.000 -3.096 -4.067) 5.112 9.332 ( 0.000 -8.667 -5.280) 10.148 19.284 ( 0.000 2.295 -0.357) 2.322 19.300 ( 0.000 1.843 -0.374) 1.880 19.321 ( 0.000 1.601 -0.693) 1.745 19.353 ( 0.000 2.288 -2.747) 3.575 19.532 ( 0.000 0.469 0.148) 0.492 19.562 ( 0.000 -0.183 -0.479) 0.513 19.666 ( 0.000 -1.216 0.302) 1.253 19.683 ( 0.000 -1.248 -0.277) 1.279 38.316 ( 0.000 0.150 0.387) 0.415 38.316 ( 0.000 0.171 0.147) 0.226 38.337 ( 0.000 -0.188 -0.448) 0.486 38.365 ( 0.000 -0.738 -1.057) 1.289 61.131 ( 0.000 -9.226 12.596) 15.613 61.263 ( 0.000 -7.262 5.682) 9.221 62.306 ( 0.000 -20.047 22.091) 29.831 62.565 ( 0.000 -35.941 25.993) 44.355 ======================= Grid point 146 (53/105) ======================= q-point: ( 0.25 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( 1.130 16.240 6.874) 17.671 1.731 ( 5.217 15.987 7.345) 18.351 1.896 ( -5.320 9.561 7.755) 13.411 2.394 ( -14.688 9.021 8.777) 19.343 2.513 ( 15.921 1.190 6.449) 17.219 3.026 ( -2.435 12.693 5.639) 14.101 3.108 ( 7.350 10.622 7.191) 14.784 3.505 ( 9.310 24.010 15.409) 30.010 3.572 ( -5.278 12.589 -0.969) 13.685 3.854 ( 1.605 16.813 -2.612) 17.090 4.315 ( -8.141 13.203 6.041) 16.646 4.575 ( -6.068 6.149 4.988) 9.976 5.493 ( 3.185 -4.624 -4.301) 7.073 5.571 ( 1.663 -6.282 -1.744) 6.728 5.836 ( -1.806 -3.821 6.767) 7.978 5.937 ( -3.783 -8.218 8.883) 12.679 6.399 ( 1.505 2.557 -4.961) 5.780 6.402 ( 2.388 1.876 -0.776) 3.134 6.478 ( -1.126 4.455 -6.277) 7.779 6.621 ( -5.358 1.081 1.866) 5.775 6.729 ( 4.263 0.627 -2.501) 4.982 6.931 ( -5.694 0.376 -5.717) 8.078 7.201 ( 1.383 8.158 1.920) 8.494 7.215 ( 6.912 -0.771 -3.264) 7.683 7.301 ( -2.423 5.673 -3.324) 7.008 7.429 ( -4.106 1.087 1.673) 4.565 7.707 ( 4.771 1.851 -2.410) 5.657 7.731 ( 5.086 4.497 1.789) 7.020 8.568 ( -0.092 -1.008 -10.480) 10.529 8.752 ( -4.729 2.727 -5.764) 7.939 8.858 ( 8.083 -4.306 -6.608) 11.293 9.258 ( -7.050 -7.878 -5.495) 11.914 19.287 ( 0.333 2.258 -0.429) 2.323 19.299 ( -0.099 1.883 -0.424) 1.933 19.322 ( 0.120 1.684 -0.763) 1.853 19.343 ( -0.810 2.237 -2.110) 3.180 19.543 ( 0.887 0.335 -0.169) 0.963 19.563 ( 0.003 -0.110 -0.469) 0.482 19.666 ( 0.008 -1.219 0.189) 1.233 19.678 ( -0.413 -1.229 -0.246) 1.320 38.310 ( -0.252 0.361 0.043) 0.442 38.314 ( -0.245 0.205 0.074) 0.328 38.349 ( 0.874 -0.583 -0.237) 1.077 38.367 ( 0.073 -0.873 -0.887) 1.247 61.167 ( 3.134 -8.905 11.746) 15.070 61.262 ( -0.438 -7.404 6.598) 9.927 62.325 ( 2.046 -22.101 22.291) 31.456 62.508 ( -5.090 -33.294 25.120) 42.017 ======================= Grid point 147 (54/105) ======================= q-point: (-0.50 0.23 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -8.354 16.779 2.501) 18.909 1.600 ( 8.354 16.779 2.501) 18.909 2.087 ( -14.757 9.727 12.293) 21.529 2.087 ( 14.757 9.727 12.293) 21.529 2.821 ( -13.413 2.774 7.693) 15.710 2.821 ( 13.413 2.774 7.693) 15.710 3.376 ( -13.251 16.945 1.608) 21.571 3.376 ( 13.251 16.945 1.608) 21.571 3.724 ( -11.236 21.027 10.944) 26.233 3.724 ( 11.236 21.027 10.944) 26.233 4.376 ( -10.954 7.722 0.180) 13.403 4.376 ( 10.954 7.722 0.180) 13.403 5.561 ( -2.756 -5.273 -3.602) 6.955 5.561 ( 2.756 -5.273 -3.602) 6.955 5.853 ( -3.545 -6.659 8.951) 11.706 5.853 ( 3.545 -6.659 8.951) 11.706 6.429 ( -1.025 3.064 -3.956) 5.108 6.429 ( 1.025 3.064 -3.956) 5.108 6.505 ( -4.918 1.670 -0.080) 5.194 6.505 ( 4.918 1.670 -0.080) 5.194 6.826 ( -4.952 1.298 -4.109) 6.564 6.826 ( 4.952 1.298 -4.109) 6.564 7.243 ( -2.737 7.600 0.212) 8.080 7.243 ( 2.737 7.600 0.212) 8.080 7.338 ( -5.150 0.500 -1.134) 5.297 7.338 ( 5.150 0.500 -1.134) 5.297 7.780 ( -1.015 1.096 -1.279) 1.966 7.780 ( 1.015 1.096 -1.279) 1.966 8.625 ( -5.598 1.287 -8.411) 10.185 8.625 ( 5.598 1.287 -8.411) 10.185 9.068 ( -10.900 -5.799 -6.041) 13.745 9.068 ( 10.900 -5.799 -6.041) 13.745 19.295 ( -0.344 2.077 -0.509) 2.166 19.295 ( 0.344 2.077 -0.509) 2.166 19.328 ( -0.528 1.969 -1.170) 2.351 19.328 ( 0.528 1.969 -1.170) 2.351 19.559 ( -0.521 0.086 -0.429) 0.680 19.559 ( 0.521 0.086 -0.429) 0.680 19.669 ( -0.349 -1.216 -0.075) 1.267 19.669 ( 0.349 -1.216 -0.075) 1.267 38.309 ( -0.152 0.351 -0.039) 0.385 38.309 ( 0.152 0.351 -0.039) 0.385 38.363 ( -0.447 -0.935 -0.479) 1.142 38.363 ( 0.447 -0.935 -0.479) 1.142 61.232 ( -2.654 -8.056 9.231) 12.536 61.232 ( 2.654 -8.056 9.231) 12.536 62.397 ( -4.977 -27.418 23.345) 36.352 62.397 ( 4.977 -27.418 23.345) 36.352 ======================= Grid point 150 (55/105) ======================= q-point: ( 0.00 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( 0.000 14.694 3.842) 15.188 1.885 ( 0.000 14.345 6.512) 15.754 2.256 ( 0.000 9.225 0.244) 9.228 2.383 ( 0.000 10.516 -0.869) 10.552 2.698 ( 0.000 0.853 1.574) 1.790 2.999 ( 0.000 -3.924 5.544) 6.792 3.243 ( 0.000 4.364 9.018) 10.019 3.576 ( 0.000 0.466 -5.229) 5.250 3.991 ( 0.000 23.400 9.669) 25.319 4.229 ( 0.000 18.100 -12.862) 22.205 4.737 ( 0.000 12.454 -4.596) 13.275 4.788 ( 0.000 10.676 -4.076) 11.427 5.407 ( 0.000 -0.259 -0.777) 0.819 5.444 ( 0.000 -3.953 2.047) 4.451 5.811 ( 0.000 -2.124 5.196) 5.613 5.833 ( 0.000 -5.735 7.141) 9.158 6.402 ( 0.000 1.108 0.208) 1.127 6.419 ( 0.000 1.351 -6.666) 6.801 6.592 ( 0.000 4.480 -7.387) 8.640 6.674 ( 0.000 0.380 -1.740) 1.781 6.710 ( 0.000 1.106 3.755) 3.914 7.006 ( 0.000 -3.717 -11.106) 11.711 7.033 ( 0.000 -2.103 -7.745) 8.026 7.325 ( 0.000 -5.237 -7.144) 8.858 7.356 ( 0.000 7.618 5.320) 9.291 7.448 ( 0.000 -0.055 1.924) 1.924 7.693 ( 0.000 1.661 0.275) 1.684 7.828 ( 0.000 7.076 4.615) 8.448 8.516 ( 0.000 -1.694 -2.040) 2.652 8.760 ( 0.000 0.599 1.670) 1.774 8.896 ( 0.000 5.608 1.942) 5.934 9.174 ( 0.000 -7.082 1.254) 7.192 19.327 ( 0.000 2.067 -0.675) 2.174 19.337 ( 0.000 1.838 -0.735) 1.979 19.351 ( 0.000 1.391 -0.933) 1.675 19.389 ( 0.000 1.408 -2.475) 2.847 19.542 ( 0.000 0.616 -0.047) 0.617 19.561 ( 0.000 0.100 -0.482) 0.493 19.644 ( 0.000 -1.087 0.106) 1.093 19.657 ( 0.000 -1.284 -0.307) 1.320 38.321 ( 0.000 0.439 0.302) 0.533 38.322 ( 0.000 0.359 0.219) 0.420 38.340 ( 0.000 0.386 -0.146) 0.412 38.354 ( 0.000 -0.417 -0.550) 0.690 60.976 ( 0.000 -6.233 6.831) 9.247 61.129 ( 0.000 -6.212 2.370) 6.649 61.911 ( 0.000 -19.832 14.201) 24.392 61.963 ( 0.000 -25.916 17.133) 31.068 ======================= Grid point 151 (56/105) ======================= q-point: ( 0.25 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( 3.172 16.991 0.797) 17.303 2.035 ( 10.738 13.142 8.158) 18.831 2.137 ( -8.668 16.157 -0.731) 18.350 2.505 ( -10.647 3.622 3.470) 11.769 2.538 ( 10.417 2.061 1.107) 10.677 3.068 ( -7.241 -2.475 6.780) 10.223 3.287 ( 12.505 1.713 5.028) 13.587 3.629 ( 2.123 -1.164 0.289) 2.438 4.011 ( 2.718 23.757 4.943) 24.417 4.221 ( -1.499 17.944 -11.326) 21.273 4.620 ( -6.465 15.056 -3.729) 16.805 4.747 ( -5.948 9.909 -6.510) 13.264 5.436 ( 2.630 -1.413 -1.292) 3.253 5.469 ( 1.713 -3.080 1.872) 3.990 5.771 ( -3.045 -2.591 6.085) 7.280 5.791 ( -3.442 -5.953 7.010) 9.820 6.426 ( 2.320 1.207 1.166) 2.863 6.444 ( 2.132 1.633 -6.049) 6.618 6.549 ( -2.560 2.826 -5.395) 6.606 6.638 ( -5.505 0.750 1.981) 5.899 6.753 ( 5.359 1.800 -3.479) 6.638 6.936 ( -3.421 0.198 -8.631) 9.286 7.152 ( 7.026 -4.538 -7.528) 11.253 7.317 ( -0.436 -1.971 -4.457) 4.893 7.381 ( 0.910 4.365 2.291) 5.013 7.422 ( -2.048 2.549 1.896) 3.780 7.723 ( 2.971 0.329 -0.264) 3.001 7.832 ( -0.261 4.050 2.667) 4.856 8.553 ( 3.746 0.236 -1.155) 3.927 8.778 ( -1.644 0.253 3.223) 3.627 8.872 ( 1.261 4.039 0.225) 4.237 9.120 ( -5.142 -5.896 1.238) 7.920 19.330 ( 0.221 2.006 -0.736) 2.148 19.336 ( -0.057 1.829 -0.758) 1.981 19.353 ( 0.267 1.452 -1.003) 1.785 19.379 ( -0.797 1.500 -2.042) 2.656 19.551 ( 0.669 0.484 -0.239) 0.860 19.563 ( 0.127 0.167 -0.478) 0.522 19.643 ( -0.028 -1.131 0.030) 1.132 19.653 ( -0.370 -1.251 -0.300) 1.338 38.319 ( -0.135 0.540 0.163) 0.580 38.320 ( -0.124 0.442 0.170) 0.490 38.345 ( 0.396 0.066 -0.056) 0.405 38.354 ( 0.005 -0.416 -0.432) 0.600 61.016 ( 3.538 -6.125 6.229) 9.426 61.128 ( -0.485 -5.966 2.801) 6.608 61.899 ( -0.790 -21.134 14.842) 25.837 61.938 ( -2.107 -24.896 16.321) 29.843 ======================= Grid point 152 (57/105) ======================= q-point: (-0.50 0.31 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.952 ( -8.597 18.572 -0.972) 20.488 1.952 ( 8.597 18.572 -0.972) 20.488 2.265 ( -11.580 9.384 6.672) 16.330 2.265 ( 11.580 9.384 6.672) 16.330 2.821 ( -14.628 -1.957 3.997) 15.290 2.821 ( 14.628 -1.957 3.997) 15.290 3.550 ( -10.119 -0.198 5.052) 11.312 3.550 ( 10.119 -0.198 5.052) 11.312 4.126 ( -7.322 20.288 -3.430) 21.840 4.126 ( 7.322 20.288 -3.430) 21.840 4.606 ( -5.333 13.049 -7.471) 15.954 4.606 ( 5.333 13.049 -7.471) 15.954 5.482 ( -1.029 -2.244 -0.313) 2.489 5.482 ( 1.029 -2.244 -0.313) 2.489 5.737 ( -0.697 -4.753 7.326) 8.760 5.737 ( 0.697 -4.753 7.326) 8.760 6.476 ( -1.248 1.940 -1.729) 2.883 6.476 ( 1.248 1.940 -1.729) 2.883 6.533 ( -3.352 1.134 -1.726) 3.937 6.533 ( 3.352 1.134 -1.726) 3.937 6.858 ( -4.557 1.911 -6.044) 7.807 6.858 ( 4.557 1.911 -6.044) 7.807 7.275 ( -4.419 -4.714 -5.917) 8.761 7.275 ( 4.419 -4.714 -5.917) 8.761 7.390 ( -0.915 5.881 2.496) 6.454 7.390 ( 0.915 5.881 2.496) 6.454 7.796 ( -3.303 0.166 -0.169) 3.312 7.796 ( 3.303 0.166 -0.169) 3.312 8.665 ( -6.833 2.560 1.214) 7.397 8.665 ( 6.833 2.560 1.214) 7.397 8.985 ( -7.385 -2.621 0.965) 7.895 8.985 ( 7.385 -2.621 0.965) 7.895 19.334 ( -0.167 1.870 -0.789) 2.037 19.334 ( 0.167 1.870 -0.789) 2.037 19.363 ( -0.716 1.560 -1.363) 2.192 19.363 ( 0.716 1.560 -1.363) 2.192 19.562 ( -0.332 0.300 -0.421) 0.614 19.562 ( 0.332 0.300 -0.421) 0.614 19.645 ( -0.322 -1.198 -0.178) 1.253 19.645 ( 0.322 -1.198 -0.178) 1.253 38.318 ( -0.051 0.547 0.110) 0.560 38.318 ( 0.051 0.547 0.110) 0.560 38.352 ( -0.248 -0.297 -0.177) 0.426 38.352 ( 0.248 -0.297 -0.177) 0.426 61.092 ( -3.198 -5.856 4.465) 8.029 61.092 ( 3.198 -5.856 4.465) 8.029 61.900 ( -1.121 -23.168 15.463) 27.876 61.900 ( 1.121 -23.168 15.463) 27.876 ======================= Grid point 155 (58/105) ======================= q-point: ( 0.00 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.105 ( 0.000 8.849 3.189) 9.406 2.120 ( 0.000 15.257 -5.382) 16.178 2.403 ( 0.000 4.022 -0.302) 4.033 2.661 ( 0.000 16.708 -4.218) 17.233 2.718 ( 0.000 3.431 -3.466) 4.877 2.868 ( 0.000 -8.730 -2.354) 9.042 3.236 ( 0.000 -4.528 7.065) 8.391 3.508 ( 0.000 -6.898 0.048) 6.899 4.389 ( 0.000 16.111 -3.266) 16.439 4.501 ( 0.000 9.766 -14.304) 17.320 4.905 ( 0.000 4.093 -13.281) 13.897 4.938 ( 0.000 3.831 -15.275) 15.748 5.408 ( 0.000 0.480 4.556) 4.581 5.442 ( 0.000 2.993 1.666) 3.425 5.783 ( 0.000 0.626 4.630) 4.672 5.798 ( 0.000 0.901 4.058) 4.157 6.422 ( 0.000 0.887 -0.210) 0.911 6.438 ( 0.000 0.599 -5.241) 5.275 6.673 ( 0.000 3.884 -8.166) 9.042 6.687 ( 0.000 0.927 0.262) 0.964 6.729 ( 0.000 0.700 3.510) 3.579 6.925 ( 0.000 -4.361 -12.800) 13.523 6.996 ( 0.000 -1.392 -9.543) 9.644 7.177 ( 0.000 -7.967 -6.672) 10.392 7.473 ( 0.000 4.206 4.867) 6.432 7.480 ( 0.000 2.254 0.473) 2.303 7.725 ( 0.000 1.881 0.314) 1.907 7.895 ( 0.000 -0.135 0.819) 0.830 8.544 ( 0.000 4.341 10.021) 10.921 8.770 ( 0.000 -0.004 10.606) 10.606 8.983 ( 0.000 2.931 9.760) 10.191 9.067 ( 0.000 -3.789 8.826) 9.605 19.362 ( 0.000 1.436 -0.929) 1.710 19.370 ( 0.000 1.524 -1.026) 1.837 19.373 ( 0.000 0.916 -1.085) 1.419 19.407 ( 0.000 0.484 -2.001) 2.059 19.555 ( 0.000 0.702 -0.233) 0.739 19.566 ( 0.000 0.349 -0.539) 0.642 19.624 ( 0.000 -0.871 -0.111) 0.878 19.634 ( 0.000 -1.125 -0.364) 1.183 38.329 ( 0.000 0.419 0.316) 0.525 38.332 ( 0.000 0.608 0.418) 0.738 38.347 ( 0.000 0.301 0.297) 0.423 38.348 ( 0.000 -0.242 -0.087) 0.257 60.900 ( 0.000 -1.344 2.669) 2.988 61.031 ( 0.000 -3.690 0.315) 3.704 61.548 ( 0.000 -16.644 8.039) 18.484 61.554 ( 0.000 -16.050 6.707) 17.395 ======================= Grid point 156 (59/105) ======================= q-point: ( 0.25 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( 5.105 16.741 -5.600) 18.376 2.247 ( 9.639 8.889 4.796) 13.961 2.417 ( 0.741 6.891 -2.596) 7.401 2.614 ( -5.136 7.929 -1.850) 9.626 2.621 ( -1.588 10.639 -4.246) 11.564 2.972 ( -2.464 -6.942 -0.150) 7.368 3.208 ( 5.667 -7.913 4.065) 10.548 3.534 ( -0.242 -8.602 3.116) 9.152 4.404 ( 1.912 15.772 -6.398) 17.127 4.507 ( 0.184 10.832 -14.768) 18.316 4.823 ( -5.458 5.195 -12.318) 14.440 4.887 ( -5.205 3.396 -15.199) 16.421 5.423 ( 2.460 1.309 3.545) 4.509 5.490 ( 2.864 3.432 2.690) 5.217 5.718 ( -4.765 -0.847 4.928) 6.906 5.755 ( -3.992 0.498 3.883) 5.591 6.448 ( 2.490 1.023 0.425) 2.725 6.467 ( 2.569 0.735 -4.867) 5.552 6.592 ( -3.746 1.764 -3.466) 5.400 6.649 ( -5.541 0.266 1.045) 5.645 6.797 ( 5.895 2.719 -5.078) 8.242 6.942 ( -0.423 0.488 -9.559) 9.580 7.056 ( 5.567 -4.920 -9.298) 11.902 7.193 ( 0.462 -7.447 -7.218) 10.381 7.472 ( 0.673 3.919 3.344) 5.195 7.504 ( 1.176 4.467 1.086) 4.745 7.723 ( 0.468 -0.171 0.466) 0.682 7.859 ( -3.410 -1.281 0.162) 3.646 8.598 ( 5.078 4.394 10.365) 12.350 8.793 ( 1.110 0.799 11.388) 11.470 8.933 ( -3.388 1.772 8.926) 9.710 9.034 ( -3.247 -2.960 9.105) 10.109 19.363 ( 0.135 1.406 -0.981) 1.719 19.369 ( -0.098 1.477 -1.031) 1.804 19.377 ( 0.325 0.927 -1.134) 1.500 19.400 ( -0.609 0.626 -1.770) 1.974 19.562 ( 0.511 0.626 -0.301) 0.862 19.570 ( 0.255 0.444 -0.536) 0.741 19.622 ( -0.142 -0.966 -0.150) 0.987 19.630 ( -0.334 -1.121 -0.381) 1.230 38.329 ( -0.020 0.489 0.312) 0.581 38.331 ( -0.088 0.609 0.358) 0.712 38.347 ( 0.065 0.007 0.173) 0.185 38.349 ( 0.056 -0.065 0.123) 0.150 60.941 ( 3.694 -1.234 2.241) 4.494 61.041 ( 0.478 -2.662 0.220) 2.713 61.514 ( -2.097 -17.124 8.179) 19.093 61.538 ( -1.921 -16.740 6.958) 18.230 ======================= Grid point 157 (60/105) ======================= q-point: (-0.50 0.38 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.284 ( -5.891 14.038 -4.032) 15.749 2.284 ( 5.891 14.038 -4.032) 15.749 2.490 ( -6.383 14.671 1.503) 16.069 2.490 ( 6.383 14.671 1.503) 16.069 2.758 ( -12.801 -4.378 -1.353) 13.596 2.758 ( 12.801 -4.378 -1.353) 13.596 3.428 ( -10.212 -10.831 4.156) 15.455 3.428 ( 10.212 -10.831 4.156) 15.455 4.472 ( -3.856 14.183 -12.146) 19.067 4.472 ( 3.856 14.183 -12.146) 19.067 4.785 ( -2.888 4.161 -13.623) 14.534 4.785 ( 2.888 4.161 -13.623) 14.534 5.494 ( -3.227 3.457 3.362) 5.803 5.494 ( 3.227 3.457 3.362) 5.803 5.677 ( -2.197 -1.521 4.398) 5.146 5.677 ( 2.197 -1.521 4.398) 5.146 6.509 ( -2.142 1.459 -1.204) 2.858 6.509 ( 2.142 1.459 -1.204) 2.858 6.548 ( -3.034 0.371 -1.985) 3.644 6.548 ( 3.034 0.371 -1.985) 3.644 6.900 ( -3.740 2.489 -7.351) 8.615 6.900 ( 3.740 2.489 -7.351) 8.615 7.161 ( -3.802 -6.325 -7.947) 10.845 7.161 ( 3.802 -6.325 -7.947) 10.845 7.499 ( -1.537 5.378 1.818) 5.882 7.499 ( 1.537 5.378 1.818) 5.882 7.773 ( -4.278 -2.558 -0.131) 4.986 7.773 ( 4.278 -2.558 -0.131) 4.986 8.727 ( -6.687 3.936 11.162) 13.594 8.727 ( 6.687 3.936 11.162) 13.594 8.950 ( -4.252 -1.698 8.999) 10.096 8.950 ( 4.252 -1.698 8.999) 10.096 19.366 ( -0.142 1.405 -1.030) 1.748 19.366 ( 0.142 1.405 -1.030) 1.748 19.387 ( -0.645 0.846 -1.373) 1.737 19.387 ( 0.645 0.846 -1.373) 1.737 19.571 ( -0.243 0.570 -0.428) 0.753 19.571 ( 0.243 0.570 -0.428) 0.753 19.623 ( -0.264 -1.109 -0.309) 1.182 19.623 ( 0.264 -1.109 -0.309) 1.182 38.329 ( -0.051 0.580 0.310) 0.659 38.329 ( 0.051 0.580 0.310) 0.659 38.349 ( -0.070 -0.083 0.184) 0.214 38.349 ( 0.070 -0.083 0.184) 0.214 61.019 ( -3.009 -1.217 0.975) 3.389 61.019 ( 3.009 -1.217 0.975) 3.389 61.499 ( -1.063 -17.678 7.759) 19.335 61.499 ( 1.063 -17.678 7.759) 19.335 ======================= Grid point 160 (61/105) ======================= q-point: ( 0.00 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.257 ( 0.000 6.931 -0.991) 7.002 2.359 ( 0.000 0.176 -3.773) 3.778 2.433 ( 0.000 9.203 -8.186) 12.316 2.669 ( 0.000 -11.540 -8.471) 14.315 2.862 ( 0.000 9.759 -2.864) 10.171 2.965 ( 0.000 9.369 -5.190) 10.710 3.122 ( 0.000 -2.244 4.777) 5.278 3.317 ( 0.000 -12.360 0.576) 12.374 4.601 ( 0.000 5.538 -10.837) 12.170 4.621 ( 0.000 2.777 -12.963) 13.257 4.935 ( 0.000 0.610 -16.152) 16.163 4.955 ( 0.000 -1.025 -17.876) 17.905 5.447 ( 0.000 2.699 3.469) 4.395 5.479 ( 0.000 0.090 1.826) 1.828 5.820 ( 0.000 1.889 1.768) 2.587 5.827 ( 0.000 1.167 1.601) 1.981 6.436 ( 0.000 0.532 -1.317) 1.421 6.442 ( 0.000 -0.095 -3.231) 3.232 6.709 ( 0.000 1.204 1.962) 2.302 6.726 ( 0.000 -0.112 2.484) 2.486 6.756 ( 0.000 3.775 -9.632) 10.345 6.839 ( 0.000 -4.436 -12.590) 13.349 6.991 ( 0.000 1.109 -9.117) 9.184 7.048 ( 0.000 -4.877 -7.467) 8.918 7.518 ( 0.000 1.297 1.391) 1.902 7.522 ( 0.000 1.006 3.059) 3.220 7.775 ( 0.000 3.346 -0.537) 3.389 7.849 ( 0.000 -3.727 -1.101) 3.886 8.653 ( 0.000 5.848 16.641) 17.639 8.743 ( 0.000 -3.017 16.018) 16.300 9.013 ( 0.000 0.503 15.007) 15.016 9.023 ( 0.000 -0.985 14.585) 14.619 19.382 ( 0.000 0.589 -1.088) 1.237 19.385 ( 0.000 0.242 -1.138) 1.164 19.395 ( 0.000 1.008 -1.277) 1.627 19.408 ( 0.000 -0.340 -1.580) 1.616 19.568 ( 0.000 0.535 -0.390) 0.662 19.572 ( 0.000 0.162 -0.529) 0.553 19.612 ( 0.000 -0.321 -0.283) 0.428 19.615 ( 0.000 -0.667 -0.390) 0.773 38.337 ( 0.000 0.354 0.357) 0.503 38.343 ( 0.000 0.061 0.486) 0.490 38.344 ( 0.000 0.177 0.321) 0.367 38.349 ( 0.000 -0.111 0.569) 0.579 60.920 ( 0.000 2.869 1.151) 3.092 60.977 ( 0.000 -2.415 0.571) 2.482 61.317 ( 0.000 -6.572 1.736) 6.798 61.318 ( 0.000 -6.963 1.260) 7.076 ======================= Grid point 161 (62/105) ======================= q-point: ( 0.25 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.375 ( 8.341 4.723 -1.592) 9.716 2.432 ( 8.158 0.439 -3.985) 9.089 2.482 ( 4.321 12.893 -8.618) 16.099 2.714 ( 1.195 -4.839 -6.877) 8.493 2.823 ( -3.556 4.933 -3.292) 6.915 2.952 ( 0.642 7.136 -4.079) 8.245 3.046 ( -4.919 -1.671 4.589) 6.931 3.304 ( -3.031 -14.472 1.695) 14.883 4.616 ( 1.931 5.974 -12.141) 13.669 4.643 ( 2.299 3.075 -14.178) 14.689 4.864 ( -5.944 0.790 -15.614) 16.725 4.893 ( -5.620 -1.707 -17.304) 18.273 5.483 ( 3.694 3.751 3.363) 6.247 5.529 ( 4.272 -0.327 1.955) 4.710 5.743 ( -6.386 2.389 2.323) 7.203 5.769 ( -5.296 0.087 1.587) 5.529 6.464 ( 2.651 0.640 -0.937) 2.884 6.472 ( 2.718 -0.126 -2.927) 3.996 6.623 ( -4.652 1.415 -1.831) 5.195 6.645 ( -5.274 -0.707 -0.405) 5.337 6.859 ( 6.083 3.600 -7.105) 10.023 6.931 ( 5.669 -3.019 -8.928) 10.998 6.999 ( 0.585 0.899 -9.091) 9.154 7.065 ( 0.793 -5.229 -8.081) 9.658 7.538 ( 2.396 2.701 2.023) 4.139 7.562 ( 3.374 0.808 1.526) 3.790 7.735 ( -3.576 2.069 -0.123) 4.133 7.801 ( -4.419 -3.945 -0.884) 5.990 8.702 ( 4.582 5.501 16.456) 17.946 8.784 ( 3.712 -2.321 16.029) 16.617 8.955 ( -4.847 1.275 15.032) 15.846 8.990 ( -3.491 -1.996 14.919) 15.452 19.383 ( 0.158 0.627 -1.128) 1.300 19.388 ( 0.261 0.195 -1.173) 1.217 19.393 ( -0.205 0.922 -1.253) 1.570 19.404 ( -0.384 -0.218 -1.487) 1.551 19.574 ( 0.524 0.586 -0.388) 0.877 19.578 ( 0.505 0.283 -0.533) 0.787 19.607 ( -0.402 -0.439 -0.295) 0.664 19.611 ( -0.409 -0.749 -0.421) 0.952 38.338 ( 0.065 0.391 0.378) 0.548 38.342 ( -0.090 0.440 0.562) 0.720 38.344 ( 0.080 -0.200 0.272) 0.347 38.349 ( -0.080 -0.160 0.538) 0.567 60.966 ( 4.257 3.305 0.935) 5.470 61.017 ( 3.430 -0.814 0.295) 3.538 61.265 ( -4.103 -7.194 1.935) 8.505 61.285 ( -3.469 -8.394 1.498) 9.205 ======================= Grid point 162 (63/105) ======================= q-point: (-0.50 0.46 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.499 ( -3.556 8.952 -6.083) 11.392 2.499 ( 3.556 8.952 -6.083) 11.392 2.650 ( -8.206 -6.527 -5.600) 11.887 2.650 ( 8.206 -6.527 -5.600) 11.887 2.824 ( -8.397 17.991 0.160) 19.855 2.824 ( 8.397 17.991 0.160) 19.855 3.161 ( -10.235 -15.939 1.374) 18.992 3.161 ( 10.235 -15.939 1.374) 18.992 4.678 ( -2.220 7.512 -14.965) 16.891 4.678 ( 2.220 7.512 -14.965) 16.891 4.783 ( -2.252 -3.288 -15.358) 15.867 4.783 ( 2.252 -3.288 -15.358) 15.867 5.586 ( -4.922 4.829 2.842) 7.459 5.586 ( 4.922 4.829 2.842) 7.459 5.653 ( -4.260 -1.861 2.124) 5.112 5.653 ( 4.260 -1.861 2.124) 5.112 6.533 ( -2.933 1.004 -1.354) 3.383 6.533 ( 2.933 1.004 -1.354) 3.383 6.547 ( -3.258 -0.435 -1.673) 3.688 6.547 ( 3.258 -0.435 -1.673) 3.689 6.959 ( -3.048 3.629 -8.187) 9.460 6.959 ( 3.048 3.629 -8.187) 9.460 7.045 ( -2.993 -5.257 -8.572) 10.492 7.045 ( 2.993 -5.257 -8.572) 10.492 7.603 ( -2.470 5.245 0.936) 5.873 7.603 ( 2.470 5.245 0.936) 5.873 7.701 ( -3.577 -4.603 0.092) 5.831 7.701 ( 3.577 -4.603 0.092) 5.831 8.815 ( -5.197 4.821 16.273) 17.750 8.815 ( 5.197 4.821 16.273) 17.750 8.900 ( -4.010 -3.539 15.046) 15.968 8.900 ( 4.010 -3.539 15.046) 15.968 19.388 ( -0.249 0.757 -1.196) 1.437 19.388 ( 0.249 0.757 -1.196) 1.437 19.395 ( -0.444 0.018 -1.305) 1.379 19.395 ( 0.444 0.018 -1.305) 1.379 19.584 ( -0.218 0.821 -0.435) 0.955 19.584 ( 0.218 0.821 -0.435) 0.955 19.602 ( -0.225 -0.993 -0.404) 1.095 19.602 ( 0.225 -0.993 -0.404) 1.095 38.340 ( -0.112 0.458 0.454) 0.654 38.340 ( 0.112 0.458 0.454) 0.654 38.346 ( -0.122 -0.227 0.430) 0.501 38.346 ( 0.122 -0.227 0.430) 0.501 61.054 ( -2.266 4.910 0.013) 5.407 61.054 ( 2.266 4.910 0.013) 5.407 61.214 ( -1.496 -11.465 2.292) 11.787 61.214 ( 1.496 -11.465 2.292) 11.787 ======================= Grid point 195 (64/105) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 0.000 0.000 15.031) 15.031 1.225 ( 0.000 0.000 16.963) 16.963 1.582 ( 0.000 0.000 0.655) 0.655 1.947 ( 0.000 0.000 -1.301) 1.301 2.204 ( 0.000 0.000 8.512) 8.512 2.431 ( 0.000 0.000 1.894) 1.894 2.546 ( 0.000 0.000 13.759) 13.759 2.973 ( 0.000 0.000 38.797) 38.797 3.399 ( 0.000 0.000 -9.688) 9.688 3.800 ( 0.000 0.000 19.754) 19.754 4.751 ( 0.000 0.000 25.382) 25.382 5.004 ( 0.000 0.000 20.964) 20.964 5.490 ( 0.000 0.000 -14.195) 14.195 5.702 ( 0.000 0.000 -9.873) 9.873 6.022 ( 0.000 0.000 -1.832) 1.832 6.071 ( 0.000 0.000 -3.922) 3.922 6.128 ( 0.000 0.000 8.579) 8.579 6.201 ( 0.000 0.000 -0.922) 0.922 6.247 ( 0.000 0.000 -1.970) 1.970 6.596 ( 0.000 0.000 -3.835) 3.835 6.752 ( 0.000 0.000 -1.687) 1.687 6.868 ( 0.000 0.000 10.306) 10.306 6.874 ( 0.000 0.000 -5.170) 5.170 6.898 ( 0.000 0.000 -1.006) 1.006 6.988 ( 0.000 0.000 -3.573) 3.573 7.320 ( 0.000 0.000 1.345) 1.345 7.396 ( 0.000 0.000 0.760) 0.760 7.491 ( 0.000 0.000 -6.967) 6.967 8.285 ( 0.000 0.000 -10.428) 10.428 8.525 ( 0.000 0.000 -14.564) 14.564 9.077 ( 0.000 0.000 -5.624) 5.624 9.369 ( 0.000 0.000 -13.611) 13.611 19.206 ( 0.000 0.000 0.446) 0.446 19.222 ( 0.000 0.000 0.005) 0.005 19.243 ( 0.000 0.000 0.361) 0.361 19.257 ( 0.000 0.000 -0.100) 0.100 19.530 ( 0.000 0.000 0.673) 0.673 19.564 ( 0.000 0.000 -0.460) 0.460 19.715 ( 0.000 0.000 -0.313) 0.313 19.718 ( 0.000 0.000 -0.444) 0.444 38.336 ( 0.000 0.000 1.397) 1.397 38.337 ( 0.000 0.000 -1.934) 1.934 38.357 ( 0.000 0.000 -3.267) 3.267 38.357 ( 0.000 0.000 0.105) 0.105 61.831 ( 0.000 0.000 14.907) 14.907 61.947 ( 0.000 0.000 15.911) 15.911 63.685 ( 0.000 0.000 28.042) 28.042 64.585 ( 0.000 0.000 -5.089) 5.089 ======================= Grid point 196 (65/105) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 5.341 0.000 13.108) 14.154 1.251 ( 2.841 0.000 13.743) 14.034 1.509 ( -6.522 0.000 3.459) 7.382 1.683 ( -18.323 0.000 3.021) 18.570 2.252 ( 4.010 0.000 6.619) 7.739 2.406 ( -2.360 0.000 2.396) 3.363 2.695 ( 10.703 0.000 14.952) 18.388 3.216 ( -5.094 0.000 9.174) 10.493 3.263 ( 16.915 0.000 25.939) 30.967 4.042 ( 17.389 0.000 15.845) 23.526 4.476 ( -22.514 0.000 24.837) 33.523 4.856 ( -13.422 0.000 14.851) 20.018 5.550 ( 4.883 0.000 -13.210) 14.084 5.705 ( -0.990 0.000 -10.355) 10.403 6.027 ( 0.568 0.000 -2.047) 2.124 6.062 ( -0.814 0.000 -3.456) 3.550 6.209 ( 0.739 0.000 -1.228) 1.433 6.241 ( -0.542 0.000 -1.901) 1.977 6.246 ( 9.676 0.000 8.378) 12.799 6.564 ( -3.582 0.000 -0.597) 3.631 6.764 ( 1.192 0.000 -1.876) 2.223 6.840 ( -2.173 0.000 -3.176) 3.848 6.893 ( 2.579 0.000 9.104) 9.463 6.928 ( 1.741 0.000 -2.873) 3.360 6.980 ( -0.709 0.000 -3.525) 3.596 7.139 ( -9.754 0.000 5.486) 11.190 7.485 ( 4.480 0.000 -9.831) 10.804 7.577 ( 3.954 0.000 -6.580) 7.677 8.345 ( 7.199 0.000 -6.347) 9.597 8.624 ( 6.239 0.000 -11.214) 12.833 8.994 ( -5.625 0.000 -7.285) 9.204 9.274 ( -8.888 0.000 -13.869) 16.473 19.208 ( 0.166 0.000 0.413) 0.445 19.219 ( -0.271 0.000 0.139) 0.305 19.246 ( 0.250 0.000 0.224) 0.335 19.256 ( -0.144 0.000 -0.064) 0.158 19.540 ( 0.818 0.000 0.466) 0.941 19.564 ( -0.104 0.000 -0.314) 0.331 19.711 ( -0.251 0.000 -0.346) 0.427 19.714 ( -0.314 0.000 -0.435) 0.536 38.322 ( -0.663 0.000 0.593) 0.890 38.331 ( -0.704 0.000 1.131) 1.332 38.360 ( 1.253 0.000 -3.513) 3.730 38.383 ( 0.874 0.000 -2.395) 2.549 61.863 ( 2.792 0.000 15.389) 15.640 61.949 ( -0.217 0.000 16.117) 16.118 63.777 ( 9.221 0.000 24.273) 25.966 64.412 ( -15.459 0.000 1.372) 15.519 ======================= Grid point 197 (66/105) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( -7.974 0.000 8.571) 11.706 1.354 ( 7.974 0.000 8.571) 11.706 1.376 ( -10.586 0.000 8.312) 13.459 1.376 ( 10.586 0.000 8.312) 13.459 2.339 ( -4.128 0.000 3.973) 5.730 2.339 ( 4.128 0.000 3.973) 5.730 2.947 ( -13.783 0.000 10.605) 17.391 2.947 ( 13.783 0.000 10.605) 17.391 3.839 ( -30.379 0.000 32.324) 44.359 3.839 ( 30.379 0.000 32.324) 44.359 4.509 ( -19.422 0.000 9.909) 21.803 4.509 ( 19.422 0.000 9.909) 21.803 5.649 ( -4.261 0.000 -12.393) 13.105 5.649 ( 4.261 0.000 -12.393) 13.105 6.043 ( -0.935 0.000 -2.647) 2.807 6.043 ( 0.935 0.000 -2.647) 2.807 6.226 ( -0.865 0.000 -1.663) 1.874 6.226 ( 0.865 0.000 -1.663) 1.874 6.441 ( -8.422 0.000 5.373) 9.990 6.441 ( 8.422 0.000 5.373) 9.990 6.797 ( -1.962 0.000 -2.384) 3.088 6.797 ( 1.962 0.000 -2.384) 3.088 6.960 ( -1.318 0.000 -3.348) 3.598 6.960 ( 1.318 0.000 -3.348) 3.598 6.979 ( -5.980 0.000 7.072) 9.261 6.979 ( 5.980 0.000 7.072) 9.261 7.575 ( -3.433 0.000 -11.534) 12.034 7.575 ( 3.433 0.000 -11.534) 12.034 8.561 ( -11.502 0.000 -2.659) 11.805 8.561 ( 11.502 0.000 -2.659) 11.805 9.053 ( -10.857 0.000 -14.105) 17.800 9.053 ( 10.857 0.000 -14.105) 17.800 19.213 ( -0.281 0.000 0.310) 0.418 19.213 ( 0.281 0.000 0.310) 0.418 19.252 ( -0.250 0.000 0.046) 0.254 19.252 ( 0.250 0.000 0.046) 0.254 19.557 ( -0.674 0.000 0.051) 0.676 19.557 ( 0.674 0.000 0.051) 0.676 19.709 ( -0.095 0.000 -0.407) 0.418 19.709 ( 0.095 0.000 -0.407) 0.418 38.319 ( -0.358 0.000 1.023) 1.084 38.319 ( 0.358 0.000 1.023) 1.084 38.384 ( -0.767 0.000 -3.347) 3.434 38.384 ( 0.767 0.000 -3.347) 3.434 61.922 ( -2.466 0.000 16.120) 16.307 61.922 ( 2.466 0.000 16.120) 16.307 64.054 ( -17.416 0.000 14.081) 22.397 64.054 ( 17.416 0.000 14.081) 22.397 ======================= Grid point 200 (67/105) ======================= q-point: ( 0.00 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( 0.000 4.572 14.743) 15.436 1.412 ( 0.000 21.793 15.745) 26.886 1.856 ( 0.000 24.852 0.948) 24.870 1.951 ( 0.000 0.984 -2.226) 2.434 2.307 ( 0.000 8.820 12.353) 15.178 2.494 ( 0.000 -0.228 11.523) 11.526 2.675 ( 0.000 18.221 3.287) 18.515 3.071 ( 0.000 10.583 32.315) 34.004 3.369 ( 0.000 -2.743 -10.051) 10.418 3.757 ( 0.000 -4.365 17.471) 18.008 4.728 ( 0.000 -2.215 23.229) 23.334 4.971 ( 0.000 -3.293 19.601) 19.876 5.453 ( 0.000 -3.264 -12.122) 12.554 5.657 ( 0.000 -3.969 -8.711) 9.572 6.071 ( 0.000 4.386 -3.217) 5.440 6.074 ( 0.000 -0.612 2.617) 2.687 6.162 ( 0.000 3.822 1.015) 3.955 6.241 ( 0.000 2.992 -0.570) 3.046 6.266 ( 0.000 1.859 -2.093) 2.800 6.550 ( 0.000 -3.622 -4.582) 5.840 6.826 ( 0.000 6.288 0.118) 6.289 6.855 ( 0.000 0.193 8.766) 8.768 6.952 ( 0.000 6.593 -4.234) 7.836 6.960 ( 0.000 5.172 -0.632) 5.210 7.053 ( 0.000 5.529 -3.422) 6.502 7.312 ( 0.000 0.133 0.073) 0.151 7.402 ( 0.000 1.288 1.181) 1.748 7.510 ( 0.000 1.909 -5.878) 6.181 8.295 ( 0.000 1.373 -10.841) 10.928 8.496 ( 0.000 -2.760 -14.260) 14.525 9.013 ( 0.000 -5.974 -4.292) 7.356 9.342 ( 0.000 -2.633 -12.973) 13.237 19.216 ( 0.000 0.988 0.382) 1.059 19.236 ( 0.000 1.348 -0.297) 1.380 19.250 ( 0.000 0.632 0.273) 0.688 19.264 ( 0.000 0.658 -0.193) 0.686 19.531 ( 0.000 0.046 0.612) 0.614 19.562 ( 0.000 -0.190 -0.441) 0.480 19.708 ( 0.000 -0.656 -0.262) 0.706 19.712 ( 0.000 -0.541 -0.432) 0.692 38.333 ( 0.000 -0.398 -1.870) 1.912 38.334 ( 0.000 -0.234 1.161) 1.184 38.346 ( 0.000 -0.953 -2.577) 2.747 38.355 ( 0.000 -0.251 0.174) 0.305 61.775 ( 0.000 -5.685 13.857) 14.978 61.866 ( 0.000 -8.027 15.209) 17.197 63.558 ( 0.000 -12.703 26.589) 29.467 64.331 ( 0.000 -24.681 -0.292) 24.683 ======================= Grid point 201 (68/105) ======================= q-point: ( 0.25 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 1.566 3.514 12.357) 12.942 1.451 ( 2.546 19.173 14.027) 23.892 1.706 ( -15.183 4.307 2.051) 15.915 1.780 ( -6.456 23.775 4.078) 24.971 2.387 ( 6.637 11.533 9.301) 16.235 2.583 ( 0.244 13.798 4.501) 14.516 2.736 ( 8.234 7.104 8.685) 13.918 3.201 ( -12.050 -1.941 0.409) 12.212 3.294 ( 21.310 4.888 30.875) 37.832 4.003 ( 17.413 -3.991 14.134) 22.780 4.460 ( -21.608 -1.487 22.744) 31.407 4.830 ( -13.169 -2.633 13.777) 19.239 5.509 ( 4.650 -3.593 -11.407) 12.832 5.664 ( -0.897 -3.652 -9.391) 10.116 6.071 ( 0.761 3.394 -1.709) 3.875 6.107 ( 0.359 3.488 -3.976) 5.302 6.172 ( 2.276 -1.182 3.814) 4.596 6.250 ( -0.757 0.858 -0.804) 1.399 6.304 ( 5.194 3.534 0.990) 6.360 6.529 ( -2.524 -2.643 -2.188) 4.259 6.829 ( 0.268 4.624 0.917) 4.722 6.855 ( -0.231 1.478 3.986) 4.257 6.932 ( 0.183 4.469 1.941) 4.876 7.003 ( 2.502 6.871 -3.199) 7.982 7.034 ( -2.006 4.013 -1.903) 4.874 7.164 ( -7.639 4.210 3.154) 9.275 7.488 ( 4.867 0.462 -9.435) 10.626 7.592 ( 3.795 1.689 -5.983) 7.284 8.332 ( 5.797 -0.986 -6.887) 9.056 8.605 ( 6.355 -1.639 -10.553) 12.427 8.937 ( -4.803 -5.404 -6.457) 9.694 9.248 ( -8.849 -2.537 -13.224) 16.112 19.218 ( 0.192 1.010 0.337) 1.082 19.231 ( -0.359 1.205 -0.051) 1.259 19.253 ( 0.273 0.708 0.077) 0.763 19.262 ( -0.134 0.671 -0.166) 0.704 19.540 ( 0.780 0.006 0.413) 0.883 19.562 ( -0.077 -0.164 -0.310) 0.359 19.705 ( -0.223 -0.622 -0.300) 0.726 19.709 ( -0.325 -0.553 -0.417) 0.765 38.319 ( -0.576 -0.295 0.334) 0.728 38.329 ( -0.640 -0.211 1.139) 1.323 38.354 ( 1.119 -0.572 -3.229) 3.465 38.374 ( 0.783 -0.852 -1.789) 2.131 61.803 ( 2.509 -5.970 14.328) 15.724 61.872 ( 0.147 -7.661 15.288) 17.101 63.636 ( 7.818 -14.070 23.431) 28.427 64.182 ( -13.342 -22.469 4.770) 26.563 ======================= Grid point 202 (69/105) ======================= q-point: (-0.50 0.08 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -8.002 2.492 8.979) 12.283 1.361 ( 8.002 2.492 8.979) 12.283 1.640 ( -6.079 22.615 7.767) 24.673 1.640 ( 6.079 22.615 7.767) 24.673 2.518 ( -5.435 16.054 4.952) 17.658 2.518 ( 5.435 16.054 4.952) 17.658 2.949 ( -12.089 1.018 7.572) 14.301 2.949 ( 12.089 1.018 7.572) 14.301 3.834 ( -28.710 -0.282 30.572) 41.940 3.834 ( 28.710 -0.282 30.572) 41.940 4.485 ( -19.283 -2.478 8.571) 21.247 4.485 ( 19.283 -2.478 8.571) 21.247 5.606 ( -4.373 -3.748 -10.939) 12.362 5.606 ( 4.373 -3.748 -10.939) 12.362 6.092 ( -1.127 4.060 -3.180) 5.278 6.092 ( 1.127 4.060 -3.180) 5.278 6.222 ( -1.982 -0.631 0.346) 2.108 6.222 ( 1.982 -0.631 0.346) 2.108 6.436 ( -6.449 -0.085 2.299) 6.847 6.436 ( 6.449 -0.085 2.299) 6.847 6.841 ( -0.868 2.965 0.564) 3.140 6.841 ( 0.868 2.965 0.564) 3.140 6.972 ( -3.345 2.218 3.517) 5.336 6.972 ( 3.345 2.218 3.517) 5.336 7.059 ( -3.243 7.763 -1.615) 8.567 7.059 ( 3.243 7.763 -1.615) 8.567 7.586 ( -3.747 1.211 -11.192) 11.865 7.586 ( 3.747 1.211 -11.192) 11.865 8.531 ( -11.413 -2.695 -2.395) 11.969 8.531 ( 11.413 -2.695 -2.395) 11.969 9.023 ( -11.537 -2.807 -13.532) 18.003 9.023 ( 11.537 -2.807 -13.532) 18.003 19.224 ( -0.337 1.080 0.196) 1.148 19.224 ( 0.337 1.080 0.196) 1.148 19.259 ( -0.239 0.702 -0.082) 0.746 19.259 ( 0.239 0.702 -0.082) 0.746 19.556 ( -0.626 -0.086 0.023) 0.632 19.556 ( 0.626 -0.086 0.023) 0.632 19.703 ( -0.110 -0.578 -0.372) 0.696 19.703 ( 0.110 -0.578 -0.372) 0.696 38.317 ( -0.374 -0.171 0.930) 1.017 38.317 ( 0.374 -0.171 0.930) 1.017 38.375 ( -0.648 -0.842 -2.912) 3.100 38.375 ( 0.648 -0.842 -2.912) 3.100 61.855 ( -1.983 -6.764 15.104) 16.667 61.855 ( 1.983 -6.764 15.104) 16.667 63.873 ( -15.003 -17.870 14.992) 27.734 63.873 ( 15.003 -17.870 14.992) 27.734 ======================= Grid point 205 (70/105) ======================= q-point: ( 0.00 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 0.000 11.653 10.608) 15.758 1.803 ( 0.000 14.039 20.631) 24.955 2.003 ( 0.000 4.547 -1.318) 4.735 2.427 ( 0.000 30.305 0.146) 30.306 2.458 ( 0.000 -1.846 12.485) 12.621 2.518 ( 0.000 13.157 12.778) 18.341 3.138 ( 0.000 26.317 0.767) 26.328 3.267 ( 0.000 -0.456 -3.519) 3.548 3.430 ( 0.000 18.710 12.247) 22.362 3.630 ( 0.000 -8.573 10.877) 13.850 4.669 ( 0.000 -3.629 16.394) 16.791 4.880 ( 0.000 -5.838 14.839) 15.946 5.388 ( 0.000 -2.906 -8.303) 8.797 5.571 ( 0.000 -4.392 -6.579) 7.910 6.044 ( 0.000 -2.300 6.110) 6.529 6.163 ( 0.000 4.438 -4.833) 6.562 6.254 ( 0.000 -2.928 3.084) 4.252 6.256 ( 0.000 5.129 -3.697) 6.322 6.312 ( 0.000 2.696 -2.346) 3.574 6.500 ( 0.000 -0.540 -7.886) 7.904 6.826 ( 0.000 -1.229 8.272) 8.363 7.015 ( 0.000 7.529 0.974) 7.592 7.045 ( 0.000 0.346 -1.247) 1.295 7.056 ( 0.000 5.972 0.359) 5.983 7.137 ( 0.000 3.277 -4.271) 5.383 7.403 ( 0.000 9.660 -2.603) 10.004 7.491 ( 0.000 8.744 2.290) 9.038 7.554 ( 0.000 1.891 -2.920) 3.479 8.362 ( 0.000 6.085 -11.180) 12.728 8.432 ( 0.000 -3.238 -12.763) 13.168 8.881 ( 0.000 -6.138 -1.012) 6.221 9.275 ( 0.000 -3.941 -10.896) 11.587 19.243 ( 0.000 1.696 0.208) 1.708 19.267 ( 0.000 1.144 0.033) 1.144 19.270 ( 0.000 2.068 -0.895) 2.254 19.282 ( 0.000 1.129 -0.427) 1.207 19.532 ( 0.000 0.121 0.448) 0.464 19.558 ( 0.000 -0.254 -0.404) 0.477 19.690 ( 0.000 -1.106 -0.170) 1.119 19.697 ( 0.000 -0.978 -0.408) 1.060 38.324 ( 0.000 -0.378 -1.513) 1.559 38.325 ( 0.000 -0.597 -1.350) 1.476 38.332 ( 0.000 -0.287 0.762) 0.814 38.349 ( 0.000 -0.294 0.204) 0.358 61.619 ( 0.000 -9.912 10.974) 14.787 61.651 ( 0.000 -13.397 13.107) 18.742 63.208 ( 0.000 -22.497 22.461) 31.790 63.700 ( 0.000 -37.620 7.733) 38.407 ======================= Grid point 206 (71/105) ======================= q-point: ( 0.25 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -0.224 10.342 9.603) 14.115 1.689 ( -13.068 6.761 7.539) 16.532 1.955 ( 4.270 15.719 12.357) 20.446 2.284 ( -8.815 23.513 6.698) 25.989 2.620 ( 9.973 10.663 9.898) 17.639 2.741 ( 13.740 8.096 5.791) 16.967 3.087 ( -4.904 18.311 3.237) 19.231 3.178 ( -5.841 5.474 -4.600) 9.233 3.502 ( 10.530 16.423 20.871) 28.569 3.887 ( 17.731 -7.715 8.470) 21.110 4.428 ( -18.721 -1.445 16.333) 24.886 4.754 ( -12.696 -5.102 9.738) 16.794 5.435 ( 4.111 -3.471 -8.228) 9.831 5.581 ( -0.659 -4.449 -7.548) 8.786 6.068 ( 2.518 -3.222 6.837) 7.967 6.178 ( 0.183 2.737 -4.020) 4.867 6.198 ( -1.387 0.986 0.321) 1.732 6.269 ( -1.365 2.396 -2.052) 3.437 6.358 ( 4.187 1.939 -1.316) 4.798 6.500 ( -0.759 0.265 -6.392) 6.442 6.825 ( 0.235 -1.441 7.598) 7.737 6.927 ( -4.677 -0.133 1.920) 5.058 7.057 ( 0.845 9.191 1.836) 9.410 7.118 ( -0.952 5.268 -3.033) 6.153 7.141 ( 4.172 5.222 -1.679) 6.892 7.329 ( -5.068 10.555 0.727) 11.731 7.524 ( 4.734 3.954 -8.179) 10.244 7.648 ( 3.518 4.018 -3.313) 6.285 8.329 ( 2.649 1.412 -7.740) 8.302 8.583 ( 6.500 0.376 -8.494) 10.703 8.817 ( -2.957 -5.689 -4.206) 7.668 9.185 ( -8.511 -3.562 -11.122) 14.450 19.245 ( 0.226 1.703 0.144) 1.724 19.261 ( -0.433 1.637 -0.218) 1.708 19.275 ( 0.218 1.501 -0.504) 1.598 19.281 ( -0.089 1.164 -0.424) 1.243 19.540 ( 0.683 0.056 0.272) 0.737 19.558 ( -0.009 -0.214 -0.308) 0.375 19.688 ( -0.164 -1.071 -0.212) 1.104 19.693 ( -0.343 -0.983 -0.381) 1.109 38.313 ( -0.309 -0.213 -0.069) 0.382 38.325 ( -0.534 -0.135 1.081) 1.213 38.342 ( 0.902 -0.615 -2.420) 2.655 38.357 ( 0.432 -0.745 -0.782) 1.163 61.640 ( 1.779 -10.368 11.427) 15.532 61.666 ( 1.007 -12.896 12.924) 18.285 63.253 ( 4.618 -24.303 20.601) 32.193 63.602 ( -8.823 -34.993 10.289) 37.527 ======================= Grid point 207 (72/105) ======================= q-point: (-0.50 0.15 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -6.998 8.277 7.249) 13.040 1.465 ( 6.998 8.277 7.249) 13.040 2.103 ( -8.755 20.556 10.826) 24.827 2.103 ( 8.755 20.556 10.826) 24.827 2.813 ( -7.420 10.615 6.835) 14.645 2.813 ( 7.420 10.615 6.835) 14.645 3.071 ( -4.883 13.624 0.218) 14.474 3.071 ( 4.883 13.624 0.218) 14.474 3.853 ( -21.030 3.110 23.654) 31.803 3.853 ( 21.030 3.110 23.654) 31.803 4.414 ( -18.312 -4.563 4.189) 19.332 4.414 ( 18.312 -4.563 4.189) 19.332 5.526 ( -4.256 -4.052 -8.475) 10.313 5.526 ( 4.256 -4.052 -8.475) 10.313 6.130 ( -3.056 -2.548 4.183) 5.773 6.130 ( 3.056 -2.548 4.183) 5.773 6.229 ( -2.230 3.129 -3.382) 5.119 6.229 ( 2.230 3.129 -3.382) 5.119 6.449 ( -4.122 1.314 -2.629) 5.062 6.449 ( 4.122 1.314 -2.629) 5.062 6.851 ( -2.591 -1.302 4.805) 5.612 6.851 ( 2.591 -1.302 4.805) 5.612 7.084 ( -1.726 7.802 0.311) 7.997 7.084 ( 1.726 7.802 0.311) 7.997 7.233 ( -4.523 8.517 -1.214) 9.719 7.233 ( 4.523 8.517 -1.214) 9.719 7.631 ( -4.447 3.587 -9.176) 10.810 7.631 ( 4.447 3.587 -9.176) 10.810 8.486 ( -10.690 -0.809 -1.707) 10.856 8.486 ( 10.690 -0.809 -1.707) 10.856 8.960 ( -12.417 -3.077 -11.526) 17.219 8.960 ( 12.417 -3.077 -11.526) 17.219 19.252 ( -0.397 1.709 -0.031) 1.754 19.252 ( 0.397 1.709 -0.031) 1.754 19.278 ( -0.157 1.279 -0.432) 1.359 19.278 ( 0.157 1.279 -0.432) 1.359 19.554 ( -0.501 -0.091 -0.055) 0.512 19.554 ( 0.501 -0.091 -0.055) 0.512 19.687 ( -0.151 -1.011 -0.306) 1.067 19.687 ( 0.151 -1.011 -0.306) 1.067 38.314 ( -0.405 -0.062 0.713) 0.823 38.314 ( 0.405 -0.062 0.713) 0.823 38.357 ( -0.460 -0.867 -1.952) 2.185 38.357 ( 0.460 -0.867 -1.952) 2.185 61.671 ( -0.773 -11.594 12.321) 16.936 61.671 ( 0.773 -11.594 12.321) 16.936 63.400 ( -9.616 -29.260 15.772) 34.603 63.400 ( 9.616 -29.260 15.772) 34.603 ======================= Grid point 210 (73/105) ======================= q-point: ( 0.00 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 0.000 16.074 6.654) 17.397 1.953 ( 0.000 3.673 19.066) 19.417 2.108 ( 0.000 5.901 2.158) 6.283 2.404 ( 0.000 -2.484 8.215) 8.582 2.737 ( 0.000 4.716 5.924) 7.572 2.984 ( 0.000 22.950 2.370) 23.072 3.305 ( 0.000 8.229 -8.231) 11.639 3.425 ( 0.000 -9.741 7.989) 12.598 3.636 ( 0.000 21.976 -5.989) 22.778 3.848 ( 0.000 20.306 11.168) 23.175 4.597 ( 0.000 -3.296 3.903) 5.108 4.753 ( 0.000 -6.722 4.755) 8.234 5.354 ( 0.000 -0.249 -4.408) 4.415 5.496 ( 0.000 -3.145 -4.000) 5.088 5.988 ( 0.000 -3.365 6.158) 7.018 6.124 ( 0.000 -8.531 4.280) 9.544 6.244 ( 0.000 3.084 -4.194) 5.206 6.335 ( 0.000 2.540 -3.353) 4.207 6.378 ( 0.000 4.219 -4.021) 5.828 6.520 ( 0.000 1.793 -8.809) 8.990 6.805 ( 0.000 -0.698 6.638) 6.674 6.983 ( 0.000 -4.876 -0.787) 4.939 7.018 ( 0.000 -2.762 -0.849) 2.890 7.193 ( 0.000 1.612 -6.341) 6.543 7.269 ( 0.000 11.434 4.681) 12.355 7.551 ( 0.000 -1.159 2.462) 2.721 7.599 ( 0.000 7.238 -2.879) 7.790 7.710 ( 0.000 11.392 2.141) 11.592 8.403 ( 0.000 1.473 -7.705) 7.845 8.540 ( 0.000 11.525 -8.507) 14.324 8.834 ( 0.000 2.498 2.699) 3.677 9.204 ( 0.000 -2.767 -6.847) 7.385 19.279 ( 0.000 1.955 -0.042) 1.955 19.293 ( 0.000 1.441 -0.298) 1.471 19.306 ( 0.000 1.306 -0.702) 1.483 19.312 ( 0.000 2.064 -1.343) 2.463 19.536 ( 0.000 0.240 0.226) 0.330 19.554 ( 0.000 -0.148 -0.375) 0.403 19.667 ( 0.000 -1.285 -0.132) 1.292 19.675 ( 0.000 -1.246 -0.391) 1.306 38.321 ( 0.000 0.079 -0.852) 0.855 38.322 ( 0.000 0.303 -0.950) 0.997 38.330 ( 0.000 0.058 0.975) 0.977 38.345 ( 0.000 -0.117 0.146) 0.187 61.371 ( 0.000 -14.516 9.817) 17.524 61.405 ( 0.000 -11.505 7.003) 13.469 62.710 ( 0.000 -27.605 16.446) 32.133 62.939 ( 0.000 -38.773 10.952) 40.290 ======================= Grid point 211 (74/105) ======================= q-point: ( 0.25 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.651 ( -2.047 13.702 7.133) 15.582 1.845 ( -10.070 10.136 3.700) 14.759 2.146 ( 7.660 5.127 14.938) 17.553 2.561 ( -9.282 4.227 5.803) 11.734 2.665 ( 15.297 -2.674 9.018) 17.957 3.094 ( 3.742 20.714 2.027) 21.147 3.217 ( -0.597 8.076 1.301) 8.202 3.574 ( -5.338 20.437 -0.040) 21.123 3.700 ( 18.270 -6.925 -0.095) 19.539 3.884 ( 3.719 17.080 8.738) 19.542 4.423 ( -12.956 1.458 4.324) 13.736 4.636 ( -12.190 -6.523 0.638) 13.840 5.388 ( 3.208 -1.033 -4.907) 5.953 5.505 ( -0.326 -3.060 -4.705) 5.622 5.989 ( 0.680 -4.678 7.301) 8.698 6.088 ( -2.947 -8.057 5.467) 10.173 6.265 ( 1.807 3.454 -4.807) 6.189 6.346 ( -1.355 4.131 -4.981) 6.611 6.391 ( 3.429 1.628 -2.574) 4.586 6.527 ( -0.425 1.873 -7.982) 8.209 6.798 ( -0.119 -1.127 6.593) 6.689 6.888 ( -4.172 -2.534 1.380) 5.073 7.136 ( 5.730 -2.394 -3.108) 6.944 7.199 ( 0.387 2.525 -4.875) 5.504 7.284 ( 1.885 9.988 4.189) 10.994 7.478 ( -5.348 3.250 3.037) 6.956 7.631 ( 3.192 5.643 -4.418) 7.846 7.747 ( 1.035 5.869 -1.147) 6.069 8.405 ( 2.987 6.469 -4.546) 8.452 8.661 ( 6.382 7.871 -6.362) 11.965 8.767 ( -3.499 1.686 0.511) 3.917 9.127 ( -7.384 -1.864 -7.003) 10.346 19.282 ( 0.196 1.919 -0.113) 1.933 19.291 ( -0.161 1.544 -0.316) 1.584 19.306 ( 0.011 1.371 -0.723) 1.550 19.310 ( -0.159 1.918 -1.140) 2.237 19.542 ( 0.560 0.172 0.084) 0.592 19.555 ( 0.074 -0.105 -0.319) 0.344 19.665 ( -0.118 -1.268 -0.170) 1.285 19.671 ( -0.344 -1.237 -0.360) 1.333 38.314 ( -0.121 0.355 -0.073) 0.382 38.325 ( -0.394 0.145 0.888) 0.982 38.334 ( 0.660 -0.048 -1.350) 1.503 38.347 ( 0.121 -0.265 -0.289) 0.410 61.394 ( 1.890 -14.121 9.435) 17.088 61.417 ( 0.930 -11.912 7.436) 14.073 62.723 ( 1.483 -28.997 15.700) 33.008 62.885 ( -4.758 -36.953 11.843) 39.095 ======================= Grid point 212 (75/105) ======================= q-point: (-0.50 0.23 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( -5.133 13.163 4.564) 14.847 1.678 ( 5.133 13.163 4.564) 14.847 2.340 ( -10.679 4.469 10.735) 15.787 2.340 ( 10.679 4.469 10.735) 15.787 2.969 ( -11.786 4.526 6.957) 14.415 2.969 ( 11.786 4.526 6.957) 14.415 3.393 ( -11.637 17.770 -0.008) 21.241 3.393 ( 11.637 17.770 -0.008) 21.241 3.958 ( -3.225 5.232 10.284) 11.981 3.958 ( 3.225 5.232 10.284) 11.981 4.337 ( -11.540 -1.296 -3.919) 12.256 4.337 ( 11.540 -1.296 -3.919) 12.256 5.462 ( -3.487 -2.094 -5.409) 6.767 5.462 ( 3.487 -2.094 -5.409) 6.767 6.026 ( -2.789 -6.982 7.397) 10.547 6.026 ( 2.789 -6.982 7.397) 10.547 6.306 ( -2.142 3.868 -5.153) 6.790 6.306 ( 2.142 3.868 -5.153) 6.790 6.477 ( -4.126 1.358 -4.367) 6.159 6.477 ( 4.126 1.358 -4.367) 6.159 6.822 ( -2.438 -1.242 3.868) 4.738 6.822 ( 2.438 -1.242 3.868) 4.738 7.199 ( -0.813 2.373 -3.663) 4.439 7.199 ( 0.813 2.373 -3.663) 4.439 7.365 ( -5.539 5.460 3.262) 8.435 7.365 ( 5.539 5.460 3.262) 8.435 7.712 ( -3.904 3.915 -5.086) 7.512 7.712 ( 3.904 3.915 -5.086) 7.512 8.544 ( -9.476 7.175 0.266) 11.889 8.544 ( 9.476 7.175 0.266) 11.889 8.928 ( -11.410 0.399 -7.333) 13.569 8.928 ( 11.410 0.399 -7.333) 13.569 19.287 ( -0.276 1.778 -0.261) 1.818 19.287 ( 0.276 1.778 -0.261) 1.818 19.307 ( -0.084 1.591 -0.841) 1.802 19.307 ( 0.084 1.591 -0.841) 1.802 19.553 ( -0.348 0.022 -0.158) 0.383 19.553 ( 0.348 0.022 -0.158) 0.383 19.665 ( -0.186 -1.240 -0.269) 1.282 19.665 ( 0.186 -1.240 -0.269) 1.282 38.317 ( -0.346 0.323 0.553) 0.728 38.317 ( 0.346 0.323 0.553) 0.728 38.345 ( -0.332 -0.297 -1.036) 1.128 38.345 ( 0.332 -0.297 -1.036) 1.128 61.424 ( -0.613 -13.011 8.460) 15.532 61.424 ( 0.613 -13.011 8.460) 15.532 62.782 ( -4.466 -32.774 13.843) 35.856 62.782 ( 4.466 -32.774 13.843) 35.856 ======================= Grid point 215 (76/105) ======================= q-point: ( 0.00 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 0.000 2.218 12.979) 13.167 2.012 ( 0.000 14.637 5.532) 15.648 2.250 ( 0.000 8.633 -0.529) 8.649 2.386 ( 0.000 2.145 1.424) 2.575 2.694 ( 0.000 -6.128 -2.455) 6.601 3.060 ( 0.000 -13.220 -2.499) 13.454 3.426 ( 0.000 7.096 8.215) 10.855 3.525 ( 0.000 9.860 0.585) 9.877 4.006 ( 0.000 15.741 -6.351) 16.973 4.142 ( 0.000 8.953 4.723) 10.122 4.574 ( 0.000 1.577 -10.809) 10.924 4.638 ( 0.000 -4.590 -9.800) 10.821 5.382 ( 0.000 2.885 -1.672) 3.335 5.455 ( 0.000 -0.892 -1.426) 1.682 5.919 ( 0.000 -3.388 4.894) 5.952 5.955 ( 0.000 -7.725 4.434) 8.907 6.295 ( 0.000 2.159 -4.078) 4.615 6.368 ( 0.000 1.125 -2.955) 3.162 6.458 ( 0.000 3.652 -5.246) 6.392 6.556 ( 0.000 1.699 -8.546) 8.713 6.802 ( 0.000 0.361 4.770) 4.783 6.888 ( 0.000 -4.533 -0.494) 4.559 6.951 ( 0.000 -3.659 -0.464) 3.689 7.178 ( 0.000 -3.512 -6.421) 7.319 7.457 ( 0.000 7.354 4.517) 8.630 7.512 ( 0.000 -1.203 3.605) 3.801 7.694 ( 0.000 2.632 -0.130) 2.635 7.861 ( 0.000 3.437 -1.483) 3.743 8.525 ( 0.000 10.694 2.869) 11.072 8.769 ( 0.000 11.050 -1.260) 11.121 8.976 ( 0.000 10.520 5.322) 11.789 9.183 ( 0.000 0.831 -0.406) 0.925 19.316 ( 0.000 1.738 -0.334) 1.770 19.322 ( 0.000 1.480 -0.643) 1.613 19.331 ( 0.000 1.187 -0.916) 1.499 19.348 ( 0.000 1.549 -1.524) 2.172 19.542 ( 0.000 0.395 0.003) 0.395 19.553 ( 0.000 0.084 -0.365) 0.375 19.642 ( 0.000 -1.240 -0.182) 1.253 19.650 ( 0.000 -1.315 -0.394) 1.373 38.328 ( 0.000 0.615 -0.131) 0.629 38.333 ( 0.000 0.437 0.540) 0.694 38.336 ( 0.000 0.804 -0.071) 0.807 38.345 ( 0.000 0.106 0.144) 0.179 61.113 ( 0.000 -11.157 6.009) 12.672 61.191 ( 0.000 -9.847 3.030) 10.302 62.164 ( 0.000 -27.519 9.866) 29.234 62.231 ( 0.000 -32.951 8.772) 34.098 ======================= Grid point 216 (77/105) ======================= q-point: ( 0.25 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -0.971 10.689 5.613) 12.112 2.105 ( -5.594 16.182 -0.210) 17.123 2.237 ( 6.028 5.650 8.211) 11.649 2.534 ( -6.197 -4.222 -1.045) 7.571 2.586 ( 13.052 -4.647 4.569) 14.589 3.204 ( -2.491 -8.630 5.137) 10.348 3.396 ( 9.483 3.452 4.735) 11.147 3.662 ( 9.768 5.210 1.247) 11.141 3.937 ( -5.865 16.050 -7.796) 18.783 4.129 ( -1.968 6.789 1.595) 7.247 4.493 ( -6.020 4.994 -8.830) 11.796 4.541 ( -8.650 -1.986 -12.490) 15.322 5.400 ( 2.209 2.116 -1.967) 3.637 5.475 ( 0.703 0.317 -1.716) 1.882 5.895 ( -1.696 -4.585 5.568) 7.410 5.921 ( -2.594 -8.119 5.314) 10.044 6.321 ( 2.228 2.378 -4.418) 5.489 6.403 ( 2.104 1.470 -3.702) 4.505 6.431 ( -0.955 2.687 -4.467) 5.300 6.559 ( -1.104 1.237 -8.049) 8.218 6.784 ( -0.189 -0.255 4.971) 4.981 6.849 ( -1.769 -1.188 0.188) 2.139 7.056 ( 6.784 -4.995 -1.927) 8.642 7.191 ( 0.614 -3.476 -5.753) 6.749 7.452 ( -0.287 6.465 3.850) 7.531 7.498 ( -1.490 0.906 4.417) 4.749 7.706 ( 1.542 1.937 -1.369) 2.829 7.833 ( -2.675 2.054 -2.408) 4.144 8.584 ( 5.688 11.532 3.805) 13.409 8.835 ( 5.874 8.690 -0.551) 10.504 8.905 ( -6.374 11.201 4.853) 13.771 9.128 ( -5.236 2.180 -0.492) 5.693 19.317 ( 0.091 1.674 -0.417) 1.728 19.321 ( -0.065 1.487 -0.632) 1.618 19.332 ( 0.156 1.265 -0.934) 1.580 19.344 ( -0.303 1.527 -1.354) 2.063 19.547 ( 0.454 0.345 -0.098) 0.578 19.555 ( 0.159 0.132 -0.342) 0.399 19.640 ( -0.116 -1.255 -0.206) 1.277 19.646 ( -0.327 -1.302 -0.369) 1.392 38.325 ( -0.083 0.754 0.206) 0.786 38.331 ( -0.215 0.415 0.754) 0.887 38.340 ( 0.329 0.583 -0.508) 0.840 38.346 ( 0.072 0.130 -0.019) 0.150 61.143 ( 2.487 -10.940 5.566) 12.524 61.198 ( 0.405 -9.923 3.392) 10.494 62.155 ( -0.555 -28.312 9.735) 29.944 62.202 ( -2.405 -32.167 8.976) 33.482 ======================= Grid point 217 (78/105) ======================= q-point: (-0.50 0.31 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( -6.429 15.009 1.728) 16.419 1.960 ( 6.429 15.009 1.728) 16.419 2.374 ( -7.109 1.283 2.824) 7.756 2.374 ( 7.109 1.283 2.824) 7.756 2.950 ( -17.669 -5.520 9.296) 20.715 2.950 ( 17.669 -5.520 9.296) 20.715 3.673 ( -11.511 4.303 5.302) 13.384 3.673 ( 11.511 4.303 5.302) 13.384 3.991 ( -11.744 4.086 -8.579) 15.107 3.991 ( 11.744 4.086 -8.579) 15.107 4.417 ( -0.759 6.839 -10.303) 12.389 4.417 ( 0.759 6.839 -10.303) 12.389 5.456 ( -2.488 1.602 -2.264) 3.725 5.456 ( 2.488 1.602 -2.264) 3.726 5.882 ( -0.748 -7.266 6.306) 9.649 5.882 ( 0.748 -7.266 6.306) 9.649 6.372 ( -2.564 2.806 -4.903) 6.204 6.372 ( 2.564 2.806 -4.903) 6.204 6.496 ( -4.291 0.591 -4.479) 6.231 6.496 ( 4.291 0.591 -4.479) 6.231 6.811 ( -2.076 0.168 1.940) 2.846 6.811 ( 2.076 0.168 1.940) 2.846 7.168 ( -3.465 -4.498 -4.021) 6.957 7.168 ( 3.465 -4.498 -4.021) 6.957 7.461 ( -1.476 4.459 4.220) 6.314 7.461 ( 1.476 4.459 4.220) 6.314 7.763 ( -3.741 1.027 -2.897) 4.842 7.763 ( 3.741 1.027 -2.897) 4.842 8.738 ( -8.774 11.484 5.134) 15.337 8.738 ( 8.774 11.484 5.134) 15.337 8.988 ( -7.971 5.486 -0.829) 9.712 8.988 ( 7.971 5.486 -0.829) 9.712 19.319 ( -0.102 1.548 -0.564) 1.651 19.319 ( 0.102 1.548 -0.564) 1.651 19.337 ( -0.321 1.428 -1.068) 1.812 19.337 ( 0.321 1.428 -1.068) 1.812 19.555 ( -0.216 0.242 -0.256) 0.413 19.555 ( 0.216 0.242 -0.256) 0.413 19.640 ( -0.185 -1.284 -0.287) 1.329 19.640 ( 0.185 -1.284 -0.287) 1.329 38.326 ( -0.164 0.636 0.557) 0.862 38.326 ( 0.164 0.636 0.557) 0.862 38.345 ( -0.148 0.265 -0.365) 0.475 38.345 ( 0.148 0.265 -0.365) 0.475 61.189 ( -1.558 -10.346 4.435) 11.364 61.189 ( 1.558 -10.346 4.435) 11.364 62.159 ( -1.273 -30.258 9.395) 31.709 62.159 ( 1.273 -30.258 9.395) 31.709 ======================= Grid point 220 (79/105) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 0.000 5.012 1.309) 5.180 2.186 ( 0.000 3.676 4.625) 5.908 2.395 ( 0.000 2.455 -0.231) 2.466 2.562 ( 0.000 14.924 -5.194) 15.802 2.611 ( 0.000 1.944 -6.770) 7.044 2.754 ( 0.000 -16.388 -9.322) 18.853 3.429 ( 0.000 -6.370 11.622) 13.253 3.577 ( 0.000 -5.033 7.133) 8.730 4.261 ( 0.000 5.403 -9.320) 10.773 4.262 ( 0.000 10.310 -7.975) 13.034 4.577 ( 0.000 -1.964 -19.140) 19.241 4.616 ( 0.000 1.064 -14.277) 14.316 5.448 ( 0.000 3.276 -0.918) 3.402 5.461 ( 0.000 1.230 0.341) 1.277 5.850 ( 0.000 -2.802 2.250) 3.594 5.865 ( 0.000 -1.979 2.455) 3.154 6.332 ( 0.000 1.661 -3.752) 4.103 6.382 ( 0.000 0.272 -3.138) 3.149 6.519 ( 0.000 2.616 -6.123) 6.658 6.583 ( 0.000 1.001 -8.857) 8.914 6.814 ( 0.000 -2.776 1.266) 3.051 6.818 ( 0.000 1.051 4.064) 4.197 6.886 ( 0.000 -2.684 -1.096) 2.899 7.073 ( 0.000 -6.255 -3.792) 7.315 7.521 ( 0.000 1.716 3.028) 3.480 7.553 ( 0.000 2.697 2.907) 3.965 7.727 ( 0.000 1.328 -0.070) 1.330 7.868 ( 0.000 -1.759 -2.893) 3.385 8.765 ( 0.000 12.240 10.361) 16.036 8.951 ( 0.000 7.051 6.151) 9.357 9.176 ( 0.000 8.741 8.521) 12.207 9.232 ( 0.000 3.601 6.749) 7.649 19.345 ( 0.000 1.152 -0.675) 1.336 19.349 ( 0.000 1.254 -0.893) 1.540 19.351 ( 0.000 0.826 -1.026) 1.317 19.370 ( 0.000 0.764 -1.496) 1.679 19.551 ( 0.000 0.526 -0.178) 0.556 19.557 ( 0.000 0.319 -0.370) 0.489 19.619 ( 0.000 -1.016 -0.279) 1.053 19.625 ( 0.000 -1.164 -0.409) 1.234 38.340 ( 0.000 0.394 0.669) 0.776 38.343 ( 0.000 0.818 0.371) 0.899 38.348 ( 0.000 0.183 0.306) 0.356 38.353 ( 0.000 0.770 0.201) 0.796 60.957 ( 0.000 -4.423 2.718) 5.191 61.040 ( 0.000 -5.290 0.283) 5.297 61.669 ( 0.000 -22.318 4.170) 22.704 61.676 ( 0.000 -23.385 4.268) 23.772 ======================= Grid point 221 (80/105) ======================= q-point: ( 0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( 3.940 9.136 -0.820) 9.983 2.341 ( -2.328 3.246 0.919) 4.099 2.399 ( 11.784 4.308 4.159) 13.218 2.514 ( -4.310 10.041 -6.835) 12.889 2.530 ( 0.242 1.780 -4.854) 5.175 2.948 ( 7.865 -14.297 -3.524) 16.694 3.336 ( -2.208 -7.714 8.902) 11.985 3.638 ( 1.114 -9.778 6.983) 12.067 4.195 ( -3.375 10.133 -12.094) 16.135 4.265 ( -1.759 8.719 -9.426) 12.960 4.525 ( -3.546 -0.440 -17.048) 17.419 4.572 ( -3.721 1.524 -13.494) 14.081 5.456 ( 2.262 3.285 -0.116) 3.991 5.512 ( 2.726 2.709 -0.793) 3.924 5.797 ( -4.014 -4.003 2.939) 6.385 5.822 ( -3.602 -2.837 2.722) 5.332 6.361 ( 2.513 1.780 -4.040) 5.080 6.418 ( 3.068 0.180 -3.276) 4.492 6.482 ( -2.652 2.322 -5.354) 6.410 6.571 ( -2.338 -0.126 -7.678) 8.027 6.789 ( 1.168 0.796 3.214) 3.511 6.848 ( 0.020 1.112 -0.299) 1.152 6.959 ( 5.783 -4.733 -0.546) 7.492 7.087 ( 0.536 -6.260 -3.432) 7.159 7.523 ( 0.403 2.657 2.666) 3.785 7.556 ( 0.067 3.324 2.666) 4.262 7.720 ( -0.153 -0.066 -0.671) 0.691 7.829 ( -3.534 -2.006 -2.759) 4.911 8.821 ( 5.271 11.704 10.323) 16.472 8.993 ( 3.681 6.723 6.833) 10.269 9.112 ( -5.466 8.834 8.364) 13.337 9.200 ( -3.291 4.440 6.560) 8.578 19.345 ( 0.025 1.138 -0.758) 1.367 19.348 ( -0.087 1.216 -0.898) 1.514 19.354 ( 0.244 0.857 -1.012) 1.348 19.367 ( -0.298 0.792 -1.372) 1.612 19.556 ( 0.408 0.525 -0.234) 0.705 19.560 ( 0.266 0.398 -0.371) 0.606 19.617 ( -0.187 -1.085 -0.283) 1.137 19.622 ( -0.325 -1.179 -0.398) 1.286 38.340 ( -0.040 0.508 0.616) 0.799 38.342 ( -0.105 0.805 0.570) 0.991 38.349 ( 0.152 0.223 0.169) 0.318 38.353 ( 0.012 0.596 0.184) 0.624 60.990 ( 2.844 -4.203 2.308) 5.575 61.051 ( 0.735 -4.685 0.450) 4.764 61.645 ( -1.758 -23.253 4.512) 23.752 61.655 ( -1.784 -23.247 4.141) 23.680 ======================= Grid point 222 (81/105) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.215 ( -7.894 9.693 -1.849) 12.637 2.215 ( 7.894 9.693 -1.849) 12.637 2.461 ( -0.586 8.559 -4.702) 9.783 2.461 ( 0.586 8.559 -4.702) 9.783 2.806 ( -16.876 -7.458 6.145) 19.446 2.806 ( 16.876 -7.458 6.145) 19.446 3.513 ( -12.764 -14.943 3.285) 19.925 3.513 ( 12.764 -14.943 3.285) 19.925 4.196 ( -3.545 11.804 -13.157) 18.028 4.196 ( 3.546 11.804 -13.157) 18.028 4.505 ( -1.924 1.452 -13.083) 13.303 4.505 ( 1.924 1.452 -13.083) 13.303 5.519 ( -2.579 4.382 -0.789) 5.145 5.519 ( 2.579 4.382 -0.789) 5.145 5.759 ( -1.385 -5.082 3.468) 6.306 5.759 ( 1.385 -5.082 3.467) 6.306 6.418 ( -2.920 2.077 -4.619) 5.846 6.418 ( 2.920 2.077 -4.619) 5.846 6.499 ( -4.040 -0.365 -4.426) 6.004 6.499 ( 4.040 -0.365 -4.426) 6.004 6.830 ( -1.873 1.726 0.509) 2.597 6.830 ( 1.873 1.726 0.509) 2.597 7.061 ( -3.455 -5.829 -2.083) 7.089 7.061 ( 3.455 -5.829 -2.083) 7.089 7.543 ( -1.272 3.979 2.361) 4.798 7.543 ( 1.272 3.979 2.361) 4.798 7.751 ( -3.346 -2.052 -2.011) 4.411 7.751 ( 3.346 -2.052 -2.011) 4.411 8.956 ( -7.292 10.260 10.269) 16.245 8.956 ( 7.292 10.260 10.269) 16.245 9.108 ( -5.177 5.625 5.920) 9.669 9.108 ( 5.177 5.625 5.920) 9.669 19.346 ( -0.085 1.163 -0.853) 1.445 19.346 ( 0.085 1.163 -0.853) 1.445 19.360 ( -0.364 0.840 -1.143) 1.465 19.360 ( 0.364 0.840 -1.143) 1.465 19.563 ( -0.136 0.525 -0.329) 0.635 19.563 ( 0.136 0.525 -0.329) 0.635 19.616 ( -0.154 -1.199 -0.338) 1.255 19.616 ( 0.154 -1.199 -0.338) 1.255 38.340 ( -0.049 0.689 0.622) 0.930 38.340 ( 0.049 0.689 0.622) 0.930 38.352 ( -0.118 0.360 0.142) 0.404 38.352 ( 0.118 0.360 0.142) 0.404 61.045 ( -1.773 -3.927 1.248) 4.486 61.045 ( 1.773 -3.927 1.248) 4.486 61.626 ( -0.426 -23.753 4.444) 24.169 61.626 ( 0.426 -23.753 4.444) 24.169 ======================= Grid point 225 (82/105) ======================= q-point: ( 0.00 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( 0.000 9.320 -8.089) 12.341 2.242 ( 0.000 3.151 -0.381) 3.174 2.333 ( 0.000 -4.846 -2.874) 5.634 2.449 ( 0.000 -14.075 -11.891) 18.426 2.782 ( 0.000 10.896 -4.508) 11.791 2.842 ( 0.000 9.215 -6.373) 11.204 3.274 ( 0.000 -4.958 9.742) 10.932 3.386 ( 0.000 -12.121 6.280) 13.651 4.361 ( 0.000 4.080 -12.500) 13.149 4.389 ( 0.000 2.194 -9.085) 9.346 4.562 ( 0.000 0.841 -19.476) 19.494 4.600 ( 0.000 -2.179 -15.265) 15.420 5.488 ( 0.000 1.101 0.477) 1.200 5.491 ( 0.000 0.956 -0.407) 1.039 5.831 ( 0.000 0.185 -0.308) 0.359 5.841 ( 0.000 -0.729 -0.071) 0.733 6.360 ( 0.000 1.258 -3.548) 3.764 6.379 ( 0.000 -0.586 -3.358) 3.409 6.562 ( 0.000 1.850 -7.400) 7.628 6.588 ( 0.000 -0.629 -8.845) 8.867 6.787 ( 0.000 0.056 2.958) 2.959 6.809 ( 0.000 -1.777 3.615) 4.028 6.885 ( 0.000 2.645 -1.478) 3.030 6.961 ( 0.000 -4.948 -1.853) 5.284 7.558 ( 0.000 1.650 2.320) 2.847 7.576 ( 0.000 -0.022 2.125) 2.126 7.761 ( 0.000 2.298 -1.001) 2.507 7.816 ( 0.000 -3.130 -2.161) 3.804 8.960 ( 0.000 7.086 12.515) 14.382 9.027 ( 0.000 0.376 10.863) 10.870 9.292 ( 0.000 2.902 11.389) 11.753 9.295 ( 0.000 2.147 11.173) 11.378 19.360 ( 0.000 0.432 -0.911) 1.008 19.362 ( 0.000 0.272 -1.024) 1.060 19.369 ( 0.000 0.750 -1.133) 1.359 19.377 ( 0.000 -0.059 -1.345) 1.347 19.561 ( 0.000 0.413 -0.297) 0.508 19.563 ( 0.000 0.211 -0.361) 0.418 19.604 ( 0.000 -0.422 -0.365) 0.558 19.607 ( 0.000 -0.652 -0.413) 0.772 38.347 ( 0.000 0.247 0.550) 0.603 38.349 ( 0.000 0.010 0.378) 0.378 38.357 ( 0.000 0.549 0.709) 0.896 38.362 ( 0.000 0.111 0.583) 0.594 60.942 ( 0.000 2.151 0.946) 2.350 60.983 ( 0.000 -1.353 -0.084) 1.356 61.335 ( 0.000 -10.195 0.364) 10.201 61.339 ( 0.000 -10.210 0.398) 10.218 ======================= Grid point 226 (83/105) ======================= q-point: ( 0.25 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 5.338 8.637 -7.462) 12.601 2.335 ( 2.031 -1.200 -5.593) 6.070 2.387 ( 11.202 0.879 -0.896) 11.272 2.543 ( 3.214 -9.269 -8.451) 12.948 2.755 ( -2.132 10.188 -3.231) 10.898 2.849 ( 4.680 5.493 -5.511) 9.080 3.182 ( -7.470 -3.194 8.300) 11.615 3.364 ( -4.368 -15.784 4.099) 16.883 4.350 ( -0.084 5.742 -12.976) 14.189 4.395 ( 0.581 2.614 -9.514) 9.884 4.514 ( -3.863 0.471 -17.789) 18.210 4.557 ( -3.744 -2.458 -14.065) 14.761 5.516 ( 3.414 2.543 0.145) 4.259 5.544 ( 4.156 0.016 -0.433) 4.179 5.764 ( -5.687 0.203 0.080) 5.691 5.783 ( -5.066 -1.430 -0.026) 5.264 6.392 ( 2.700 1.354 -3.759) 4.822 6.412 ( 2.910 -0.713 -3.485) 4.596 6.523 ( -3.049 1.902 -5.900) 6.909 6.555 ( -3.056 -1.349 -6.766) 7.546 6.818 ( 3.157 2.245 1.781) 4.263 6.874 ( 4.492 -3.003 1.372) 5.575 6.893 ( 0.513 2.563 -1.560) 3.044 6.973 ( 0.575 -5.095 -1.756) 5.420 7.574 ( 1.645 2.207 1.734) 3.253 7.595 ( 1.903 0.415 1.378) 2.386 7.726 ( -3.041 1.312 -0.789) 3.405 7.774 ( -3.794 -3.157 -1.819) 5.260 9.007 ( 4.387 6.726 12.460) 14.824 9.069 ( 3.902 0.541 10.963) 11.650 9.237 ( -4.599 4.002 11.661) 13.158 9.264 ( -3.412 1.276 11.033) 11.619 19.361 ( 0.080 0.499 -0.965) 1.089 19.364 ( 0.185 0.217 -1.043) 1.081 19.367 ( -0.145 0.696 -1.099) 1.309 19.375 ( -0.231 -0.014 -1.276) 1.297 19.567 ( 0.504 0.493 -0.318) 0.773 19.569 ( 0.488 0.333 -0.380) 0.703 19.600 ( -0.408 -0.544 -0.357) 0.768 19.602 ( -0.430 -0.733 -0.414) 0.945 38.348 ( 0.113 0.329 0.567) 0.665 38.352 ( 0.194 -0.016 0.415) 0.459 38.355 ( -0.167 0.538 0.687) 0.889 38.360 ( -0.150 0.059 0.552) 0.575 60.983 ( 3.729 2.914 0.688) 4.782 61.018 ( 2.995 0.388 -0.230) 3.029 61.292 ( -3.480 -11.247 0.753) 11.797 61.305 ( -3.189 -11.658 0.393) 12.093 ======================= Grid point 227 (84/105) ======================= q-point: (-0.50 0.46 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.366 ( -1.691 7.461 -6.094) 9.781 2.366 ( 1.691 7.461 -6.094) 9.781 2.517 ( -2.542 -6.492 -6.805) 9.743 2.517 ( 2.541 -6.492 -6.805) 9.743 2.851 ( -10.312 14.391 2.221) 17.843 2.851 ( 10.312 14.391 2.221) 17.843 3.184 ( -11.005 -17.853 0.762) 20.986 3.184 ( 11.005 -17.853 0.762) 20.986 4.382 ( -2.622 7.133 -12.844) 14.924 4.382 ( 2.622 7.133 -12.844) 14.924 4.483 ( -2.380 -3.293 -13.178) 13.790 4.483 ( 2.380 -3.293 -13.178) 13.790 5.606 ( -2.975 4.130 -0.628) 5.129 5.606 ( 2.975 4.130 -0.628) 5.129 5.678 ( -2.615 -3.551 0.568) 4.446 5.678 ( 2.615 -3.551 0.568) 4.446 6.455 ( -3.222 1.670 -4.473) 5.760 6.455 ( 3.222 1.670 -4.473) 5.760 6.483 ( -3.603 -1.182 -4.424) 5.826 6.483 ( 3.603 -1.182 -4.424) 5.826 6.878 ( -2.018 3.223 -0.261) 3.811 6.878 ( 2.018 3.223 -0.261) 3.811 6.956 ( -2.596 -4.741 -0.902) 5.480 6.956 ( 2.596 -4.741 -0.902) 5.480 7.620 ( -1.750 3.919 0.654) 4.341 7.620 ( 1.750 3.919 0.654) 4.341 7.694 ( -2.511 -3.546 -0.836) 4.424 7.694 ( 2.511 -3.546 -0.836) 4.424 9.118 ( -5.631 5.850 12.401) 14.823 9.118 ( 5.631 5.850 12.401) 14.823 9.172 ( -4.768 0.438 10.749) 11.767 9.172 ( 4.768 0.438 10.749) 11.767 19.364 ( -0.166 0.612 -1.042) 1.220 19.364 ( 0.166 0.612 -1.042) 1.220 19.369 ( -0.281 0.088 -1.134) 1.171 19.369 ( 0.281 0.088 -1.134) 1.171 19.576 ( -0.112 0.806 -0.373) 0.895 19.576 ( 0.112 0.806 -0.373) 0.895 19.594 ( -0.123 -1.033 -0.377) 1.107 19.594 ( 0.123 -1.033 -0.377) 1.107 38.351 ( -0.201 0.462 0.629) 0.806 38.351 ( 0.201 0.462 0.629) 0.806 38.356 ( -0.241 -0.012 0.483) 0.540 38.356 ( 0.241 -0.012 0.483) 0.540 61.053 ( -1.356 5.033 -0.140) 5.214 61.053 ( 1.356 5.033 -0.140) 5.214 61.247 ( -0.775 -14.833 0.931) 14.883 61.247 ( 0.775 -14.833 0.932) 14.883 ======================= Grid point 260 (85/105) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 0.000 0.000 9.770) 9.770 1.553 ( 0.000 0.000 -3.838) 3.838 1.560 ( 0.000 0.000 15.200) 15.200 1.827 ( 0.000 0.000 -10.019) 10.019 2.357 ( 0.000 0.000 5.879) 5.879 2.436 ( 0.000 0.000 -1.699) 1.699 2.843 ( 0.000 0.000 15.046) 15.046 3.148 ( 0.000 0.000 -13.913) 13.913 3.655 ( 0.000 0.000 26.409) 26.409 3.991 ( 0.000 0.000 -3.782) 3.782 5.205 ( 0.000 0.000 15.685) 15.685 5.255 ( 0.000 0.000 5.697) 5.697 5.358 ( 0.000 0.000 -0.175) 0.175 5.460 ( 0.000 0.000 -12.441) 12.441 5.993 ( 0.000 0.000 -0.594) 0.594 6.007 ( 0.000 0.000 -2.013) 2.013 6.194 ( 0.000 0.000 0.275) 0.275 6.211 ( 0.000 0.000 -1.376) 1.376 6.334 ( 0.000 0.000 10.186) 10.186 6.501 ( 0.000 0.000 -5.897) 5.897 6.740 ( 0.000 0.000 0.734) 0.734 6.784 ( 0.000 0.000 -3.414) 3.414 6.893 ( 0.000 0.000 0.614) 0.614 6.925 ( 0.000 0.000 -2.399) 2.399 7.070 ( 0.000 0.000 9.087) 9.087 7.241 ( 0.000 0.000 -7.371) 7.371 7.390 ( 0.000 0.000 -0.342) 0.342 7.408 ( 0.000 0.000 -1.967) 1.967 8.160 ( 0.000 0.000 -0.656) 0.656 8.263 ( 0.000 0.000 -9.913) 9.913 9.032 ( 0.000 0.000 1.430) 1.430 9.135 ( 0.000 0.000 -8.477) 8.477 19.215 ( 0.000 0.000 0.353) 0.353 19.220 ( 0.000 0.000 -0.171) 0.171 19.250 ( 0.000 0.000 0.274) 0.274 19.255 ( 0.000 0.000 -0.173) 0.173 19.544 ( 0.000 0.000 0.635) 0.635 19.555 ( 0.000 0.000 -0.460) 0.460 19.709 ( 0.000 0.000 -0.145) 0.145 19.710 ( 0.000 0.000 -0.245) 0.245 38.283 ( 0.000 0.000 -1.504) 1.504 38.291 ( 0.000 0.000 -2.226) 2.226 38.369 ( 0.000 0.000 1.302) 1.302 38.379 ( 0.000 0.000 0.506) 0.506 62.086 ( 0.000 0.000 8.590) 8.590 62.147 ( 0.000 0.000 3.232) 3.232 64.161 ( 0.000 0.000 18.126) 18.126 64.441 ( 0.000 0.000 -9.596) 9.596 ======================= Grid point 261 (86/105) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 1.827 0.000 7.945) 8.153 1.512 ( -3.133 0.000 10.937) 11.377 1.532 ( -2.004 0.000 -1.611) 2.571 1.673 ( -11.089 0.000 -4.270) 11.883 2.370 ( 1.192 0.000 4.483) 4.639 2.425 ( -0.980 0.000 -0.813) 1.273 2.954 ( 7.565 0.000 11.215) 13.528 3.155 ( -1.046 0.000 -7.635) 7.706 3.861 ( 20.114 0.000 24.366) 31.595 4.179 ( 17.828 0.000 -4.329) 18.346 4.956 ( -23.203 0.000 16.545) 28.498 5.052 ( -16.196 0.000 4.544) 16.821 5.382 ( 2.521 0.000 -2.651) 3.658 5.472 ( -1.284 0.000 -10.692) 10.769 5.995 ( 0.165 0.000 -0.780) 0.798 6.005 ( -0.212 0.000 -1.780) 1.793 6.196 ( 0.253 0.000 0.015) 0.254 6.209 ( -0.230 0.000 -1.149) 1.172 6.416 ( 6.286 0.000 7.343) 9.666 6.525 ( 1.449 0.000 -3.280) 3.586 6.747 ( 0.577 0.000 0.295) 0.648 6.777 ( -0.615 0.000 -2.547) 2.620 6.898 ( 0.463 0.000 -0.094) 0.473 6.920 ( -0.402 0.000 -2.133) 2.170 7.081 ( 1.241 0.000 8.754) 8.842 7.220 ( -3.411 0.000 -0.492) 3.446 7.314 ( -1.485 0.000 -3.068) 3.408 7.411 ( -2.250 0.000 -8.069) 8.377 8.294 ( 12.011 0.000 1.422) 12.095 8.404 ( 11.760 0.000 -8.924) 14.763 8.932 ( -9.041 0.000 1.176) 9.117 9.035 ( -9.351 0.000 -8.665) 12.749 19.215 ( 0.073 0.000 0.292) 0.301 19.219 ( -0.078 0.000 -0.074) 0.107 19.251 ( 0.065 0.000 0.188) 0.199 19.254 ( -0.060 0.000 -0.124) 0.138 19.550 ( 0.493 0.000 0.483) 0.690 19.558 ( 0.193 0.000 -0.309) 0.364 19.705 ( -0.290 0.000 -0.150) 0.326 19.707 ( -0.306 0.000 -0.250) 0.395 38.296 ( 1.061 0.000 -1.455) 1.801 38.301 ( 0.949 0.000 -1.922) 2.143 38.359 ( -0.882 0.000 1.182) 1.475 38.370 ( -0.867 0.000 0.123) 0.876 62.116 ( 2.527 0.000 8.050) 8.437 62.161 ( 0.945 0.000 4.078) 4.186 64.173 ( 1.607 0.000 14.295) 14.385 64.373 ( -5.997 0.000 -5.432) 8.091 ======================= Grid point 262 (87/105) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -2.690 0.000 3.361) 4.305 1.481 ( 2.690 0.000 3.361) 4.305 1.507 ( -3.912 0.000 3.671) 5.365 1.507 ( 3.912 0.000 3.671) 5.365 2.399 ( -1.518 0.000 1.588) 2.197 2.399 ( 1.518 0.000 1.588) 2.197 3.085 ( -5.302 0.000 3.172) 6.178 3.085 ( 5.302 0.000 3.172) 6.178 4.390 ( -28.706 0.000 19.916) 34.938 4.390 ( 28.706 0.000 19.916) 34.938 4.636 ( -22.971 0.000 -0.799) 22.984 4.636 ( 22.971 0.000 -0.799) 22.984 5.431 ( -2.285 0.000 -6.758) 7.134 5.431 ( 2.285 0.000 -6.758) 7.134 6.000 ( -0.265 0.000 -1.258) 1.286 6.000 ( 0.265 0.000 -1.258) 1.286 6.203 ( -0.341 0.000 -0.583) 0.676 6.203 ( 0.341 0.000 -0.583) 0.676 6.518 ( -2.804 0.000 2.018) 3.455 6.518 ( 2.804 0.000 2.018) 3.455 6.762 ( -0.832 0.000 -0.932) 1.250 6.762 ( 0.832 0.000 -0.932) 1.250 6.910 ( -0.601 0.000 -1.314) 1.445 6.910 ( 0.601 0.000 -1.314) 1.445 7.131 ( -3.835 0.000 7.303) 8.248 7.131 ( 3.835 0.000 7.303) 8.248 7.347 ( -3.304 0.000 -9.532) 10.088 7.347 ( 3.304 0.000 -9.532) 10.088 8.543 ( -6.937 0.000 0.269) 6.943 8.543 ( 6.937 0.000 0.269) 6.943 8.822 ( -6.680 0.000 -6.881) 9.590 8.822 ( 6.680 0.000 -6.881) 9.590 19.217 ( -0.106 0.000 0.127) 0.165 19.217 ( 0.106 0.000 0.127) 0.165 19.252 ( -0.088 0.000 0.014) 0.089 19.252 ( 0.088 0.000 0.014) 0.089 19.559 ( -0.231 0.000 0.089) 0.248 19.559 ( 0.231 0.000 0.089) 0.248 19.702 ( -0.040 0.000 -0.207) 0.211 19.702 ( 0.040 0.000 -0.207) 0.211 38.315 ( -0.380 0.000 -1.435) 1.484 38.315 ( 0.380 0.000 -1.435) 1.484 38.350 ( -0.604 0.000 0.325) 0.686 38.350 ( 0.604 0.000 0.325) 0.686 62.161 ( -1.298 0.000 6.240) 6.374 62.161 ( 1.298 0.000 6.240) 6.374 64.245 ( -5.520 0.000 4.570) 7.166 64.245 ( 5.520 0.000 4.570) 7.166 ======================= Grid point 265 (88/105) ======================= q-point: ( 0.00 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 0.000 2.161 13.815) 13.983 1.675 ( 0.000 23.362 9.058) 25.056 1.825 ( 0.000 0.722 -9.030) 9.059 1.830 ( 0.000 23.919 -3.701) 24.203 2.524 ( 0.000 14.771 8.070) 16.832 2.622 ( 0.000 16.276 -0.849) 16.298 2.828 ( 0.000 -0.571 12.942) 12.954 3.115 ( 0.000 -3.302 -13.670) 14.063 3.645 ( 0.000 -0.393 22.127) 22.130 3.925 ( 0.000 -6.494 -3.095) 7.194 5.142 ( 0.000 -6.340 14.282) 15.626 5.218 ( 0.000 -4.592 5.544) 7.198 5.325 ( 0.000 -2.299 -0.750) 2.418 5.440 ( 0.000 -1.714 -11.106) 11.238 6.029 ( 0.000 3.363 -0.703) 3.435 6.042 ( 0.000 3.273 -1.918) 3.794 6.226 ( 0.000 2.902 -0.317) 2.919 6.234 ( 0.000 2.122 -0.981) 2.338 6.315 ( 0.000 -1.867 9.018) 9.209 6.460 ( 0.000 -3.722 -5.020) 6.250 6.834 ( 0.000 8.838 1.222) 8.923 6.877 ( 0.000 8.393 -2.915) 8.885 6.943 ( 0.000 4.250 0.897) 4.343 6.983 ( 0.000 5.073 -2.965) 5.876 7.062 ( 0.000 -0.470 8.821) 8.833 7.231 ( 0.000 -0.625 -7.144) 7.171 7.412 ( 0.000 2.828 0.400) 2.856 7.435 ( 0.000 3.272 -1.908) 3.788 8.155 ( 0.000 -0.103 -1.524) 1.527 8.243 ( 0.000 -1.772 -9.331) 9.498 8.996 ( 0.000 -3.403 2.530) 4.240 9.113 ( 0.000 -2.085 -8.717) 8.963 19.224 ( 0.000 0.925 0.357) 0.991 19.230 ( 0.000 1.009 -0.261) 1.042 19.255 ( 0.000 0.504 0.243) 0.560 19.260 ( 0.000 0.516 -0.216) 0.559 19.543 ( 0.000 -0.075 0.583) 0.587 19.554 ( 0.000 -0.155 -0.435) 0.462 19.703 ( 0.000 -0.577 -0.113) 0.588 19.705 ( 0.000 -0.537 -0.254) 0.594 38.283 ( 0.000 -0.000 -1.419) 1.419 38.289 ( 0.000 -0.177 -1.938) 1.946 38.366 ( 0.000 -0.343 1.237) 1.284 38.375 ( 0.000 -0.396 0.480) 0.622 62.010 ( 0.000 -7.657 7.798) 10.928 62.061 ( 0.000 -8.643 3.365) 9.275 64.005 ( 0.000 -15.656 16.678) 22.875 64.251 ( 0.000 -18.912 -7.577) 20.373 ======================= Grid point 266 (89/105) ======================= q-point: ( 0.25 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -2.979 1.907 10.564) 11.140 1.671 ( -10.545 2.529 -1.244) 10.915 1.696 ( 1.468 21.788 5.060) 22.416 1.802 ( -2.463 23.707 -2.131) 23.930 2.549 ( 2.163 16.151 6.039) 17.378 2.621 ( -0.594 17.989 -0.816) 18.017 2.929 ( 6.999 -2.077 9.823) 12.239 3.117 ( -1.249 -3.722 -7.598) 8.552 3.840 ( 19.217 -1.745 21.321) 28.757 4.118 ( 18.192 -6.021 -4.076) 19.591 4.899 ( -22.211 -5.715 15.412) 27.632 5.007 ( -16.793 -4.679 3.312) 17.745 5.364 ( 2.601 -1.623 -1.996) 3.658 5.450 ( -0.972 -1.927 -9.776) 10.012 6.032 ( 0.227 3.435 -0.941) 3.569 6.042 ( -0.120 3.466 -1.956) 3.981 6.220 ( -0.050 2.118 0.539) 2.186 6.231 ( -0.242 2.115 -0.769) 2.263 6.389 ( 5.469 -2.417 5.808) 8.336 6.481 ( 1.258 -3.880 -2.939) 5.028 6.840 ( 0.479 8.402 1.048) 8.480 6.866 ( -0.823 7.426 -1.122) 7.555 6.958 ( 0.988 5.500 -0.674) 5.629 6.980 ( -0.277 5.261 -2.439) 5.805 7.076 ( 1.656 -0.029 8.528) 8.687 7.220 ( -2.183 0.681 -1.852) 2.943 7.330 ( -2.466 2.059 -1.688) 3.629 7.434 ( -2.635 2.792 -7.956) 8.834 8.279 ( 11.492 -1.275 1.617) 11.675 8.392 ( 12.079 -0.950 -8.918) 15.044 8.897 ( -8.918 -3.255 2.226) 9.751 9.014 ( -9.281 -1.964 -8.894) 13.003 19.225 ( 0.081 0.932 0.289) 0.979 19.229 ( -0.094 0.989 -0.139) 1.004 19.256 ( 0.068 0.508 0.146) 0.533 19.259 ( -0.062 0.515 -0.170) 0.546 19.549 ( 0.473 -0.097 0.439) 0.653 19.557 ( 0.194 -0.156 -0.295) 0.386 19.700 ( -0.272 -0.555 -0.127) 0.631 19.701 ( -0.303 -0.533 -0.247) 0.661 38.294 ( 0.958 -0.128 -1.291) 1.612 38.299 ( 0.955 -0.157 -1.753) 2.003 38.356 ( -0.841 -0.296 1.125) 1.436 38.366 ( -0.834 -0.365 0.144) 0.922 62.038 ( 2.343 -7.853 7.350) 11.008 62.076 ( 1.027 -8.575 4.053) 9.540 64.014 ( 1.271 -15.971 13.320) 20.835 64.189 ( -5.412 -18.291 -3.946) 19.479 ======================= Grid point 267 (90/105) ======================= q-point: (-0.50 0.08 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -3.836 1.554 4.363) 6.014 1.509 ( 3.836 1.554 4.363) 6.014 1.745 ( -2.874 23.350 2.374) 23.646 1.745 ( 2.874 23.350 2.374) 23.646 2.595 ( -1.962 18.025 2.083) 18.251 2.595 ( 1.962 18.025 2.083) 18.251 3.049 ( -4.880 -3.298 2.342) 6.338 3.049 ( 4.880 -3.298 2.342) 6.338 4.348 ( -27.080 -4.233 18.201) 32.902 4.348 ( 27.080 -4.233 18.201) 32.902 4.585 ( -22.508 -5.083 -1.279) 23.110 4.585 ( 22.508 -5.083 -1.279) 23.110 5.413 ( -2.230 -1.614 -5.930) 6.538 5.413 ( 2.230 -1.614 -5.930) 6.538 6.037 ( -0.301 3.525 -1.504) 3.845 6.037 ( 0.301 3.525 -1.504) 3.845 6.225 ( -0.358 2.044 -0.083) 2.077 6.225 ( 0.358 2.044 -0.083) 2.077 6.476 ( -2.306 -3.652 1.260) 4.499 6.476 ( 2.306 -3.652 1.260) 4.499 6.851 ( -0.631 7.422 0.481) 7.465 6.851 ( 0.631 7.422 0.481) 7.465 6.972 ( -0.471 5.571 -1.504) 5.790 6.972 ( 0.471 5.571 -1.504) 5.790 7.138 ( -4.338 1.633 6.723) 8.166 7.138 ( 4.338 1.633 6.723) 8.166 7.359 ( -3.767 1.627 -9.489) 10.338 7.359 ( 3.767 1.627 -9.489) 10.338 8.526 ( -7.674 -1.413 1.003) 7.868 8.526 ( 7.674 -1.413 1.003) 7.868 8.797 ( -7.586 -2.300 -7.022) 10.590 8.797 ( 7.586 -2.300 -7.022) 10.590 19.227 ( -0.122 0.955 0.101) 0.968 19.227 ( 0.122 0.955 0.101) 0.968 19.257 ( -0.090 0.513 -0.036) 0.522 19.257 ( 0.090 0.513 -0.036) 0.522 19.557 ( -0.214 -0.139 0.072) 0.265 19.557 ( 0.214 -0.139 0.072) 0.265 19.697 ( -0.044 -0.531 -0.193) 0.566 19.697 ( 0.044 -0.531 -0.193) 0.566 38.312 ( -0.371 -0.236 -1.284) 1.357 38.312 ( 0.371 -0.236 -1.284) 1.357 38.347 ( -0.555 -0.252 0.329) 0.692 38.347 ( 0.555 -0.252 0.329) 0.692 62.079 ( -1.089 -8.278 5.841) 10.189 62.079 ( 1.089 -8.278 5.841) 10.189 64.075 ( -4.854 -16.978 4.802) 18.299 64.075 ( 4.854 -16.978 4.802) 18.299 ======================= Grid point 270 (91/105) ======================= q-point: ( 0.00 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.000 7.300 11.406) 13.542 1.866 ( 0.000 4.129 -8.773) 9.696 2.181 ( 0.000 23.946 13.064) 27.277 2.372 ( 0.000 27.709 -5.665) 28.282 2.736 ( 0.000 -1.691 14.205) 14.306 2.816 ( 0.000 12.000 14.743) 19.009 3.031 ( 0.000 -3.854 -13.821) 14.348 3.064 ( 0.000 19.783 -8.097) 21.376 3.696 ( 0.000 7.405 8.543) 11.306 3.768 ( 0.000 -7.834 1.715) 8.020 4.962 ( 0.000 -11.892 10.482) 15.853 5.056 ( 0.000 -11.753 1.875) 11.902 5.300 ( 0.000 -0.301 0.690) 0.753 5.407 ( 0.000 -1.481 -8.276) 8.407 6.106 ( 0.000 3.967 -0.843) 4.056 6.109 ( 0.000 2.464 -0.180) 2.471 6.272 ( 0.000 -1.656 4.141) 4.460 6.278 ( 0.000 1.083 0.014) 1.083 6.284 ( 0.000 2.561 0.278) 2.576 6.377 ( 0.000 -3.634 -4.662) 5.911 6.967 ( 0.000 -0.248 4.744) 4.750 7.012 ( 0.000 3.017 0.054) 3.018 7.019 ( 0.000 3.386 -1.441) 3.680 7.055 ( 0.000 0.763 -3.512) 3.594 7.138 ( 0.000 11.029 6.881) 12.999 7.294 ( 0.000 9.525 -7.288) 11.993 7.529 ( 0.000 9.222 1.263) 9.308 7.537 ( 0.000 6.207 0.315) 6.215 8.188 ( 0.000 4.801 -4.286) 6.436 8.218 ( 0.000 0.272 -6.903) 6.909 8.925 ( 0.000 -2.869 4.842) 5.628 9.068 ( 0.000 -2.011 -8.782) 9.010 19.249 ( 0.000 1.567 0.353) 1.606 19.257 ( 0.000 1.664 -0.465) 1.728 19.269 ( 0.000 0.916 0.155) 0.929 19.274 ( 0.000 0.916 -0.319) 0.970 19.542 ( 0.000 -0.081 0.444) 0.452 19.550 ( 0.000 -0.208 -0.373) 0.427 19.687 ( 0.000 -1.024 -0.044) 1.025 19.690 ( 0.000 -0.975 -0.273) 1.012 38.285 ( 0.000 0.349 -1.136) 1.189 38.289 ( 0.000 0.228 -1.331) 1.351 38.358 ( 0.000 -0.428 1.058) 1.142 38.365 ( 0.000 -0.523 0.416) 0.668 61.801 ( 0.000 -13.276 5.700) 14.448 61.826 ( 0.000 -14.778 3.589) 15.208 63.574 ( 0.000 -27.603 12.933) 30.483 63.740 ( 0.000 -32.140 -3.237) 32.303 ======================= Grid point 271 (92/105) ======================= q-point: ( 0.25 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -3.307 7.128 8.563) 11.622 1.728 ( -9.874 4.969 -3.014) 11.458 2.194 ( 1.750 23.454 9.659) 25.425 2.327 ( -3.745 25.905 -2.678) 26.311 2.833 ( 6.124 4.473 10.395) 12.867 2.912 ( 7.027 10.252 9.830) 15.847 3.034 ( 0.211 1.658 -8.834) 8.990 3.073 ( -0.516 18.165 -4.603) 18.746 3.829 ( 14.107 2.193 10.889) 17.955 3.959 ( 17.949 -9.514 -1.559) 20.374 4.741 ( -19.594 -10.206 11.698) 24.998 4.861 ( -17.072 -10.450 0.065) 20.016 5.334 ( 2.401 -1.083 -0.687) 2.722 5.412 ( -0.604 -1.639 -7.514) 7.714 6.110 ( 0.313 3.799 -0.890) 3.915 6.116 ( 0.338 3.326 -1.401) 3.624 6.253 ( 0.046 0.291 3.782) 3.794 6.279 ( -0.457 2.330 0.744) 2.488 6.338 ( 3.550 -2.284 0.421) 4.242 6.394 ( 1.122 -3.904 -3.958) 5.672 6.952 ( -0.921 -0.021 3.728) 3.840 6.967 ( -1.862 1.334 1.428) 2.699 7.062 ( 1.548 4.030 -1.465) 4.559 7.075 ( 0.917 3.221 -1.702) 3.756 7.165 ( 3.174 10.602 5.885) 12.535 7.314 ( 1.591 10.133 -6.427) 12.104 7.418 ( -5.435 7.135 2.639) 9.349 7.535 ( -3.614 7.275 -6.784) 10.584 8.272 ( 10.086 1.774 2.084) 10.451 8.391 ( 12.447 1.892 -8.687) 15.297 8.831 ( -8.517 -2.489 4.519) 9.958 8.974 ( -8.880 -1.594 -8.944) 12.704 19.250 ( 0.093 1.569 0.276) 1.596 19.256 ( -0.137 1.624 -0.261) 1.651 19.270 ( 0.078 0.935 0.006) 0.938 19.273 ( -0.059 0.922 -0.288) 0.968 19.547 ( 0.421 -0.117 0.325) 0.545 19.553 ( 0.197 -0.208 -0.263) 0.390 19.684 ( -0.231 -0.995 -0.073) 1.024 19.686 ( -0.291 -0.964 -0.248) 1.037 38.294 ( 0.754 0.182 -0.879) 1.172 38.298 ( 0.862 0.170 -1.356) 1.615 38.349 ( -0.718 -0.331 0.966) 1.249 38.358 ( -0.722 -0.445 0.177) 0.866 61.824 ( 1.883 -13.573 5.500) 14.766 61.843 ( 1.236 -14.669 3.896) 15.228 63.575 ( 0.467 -28.053 10.690) 30.024 63.694 ( -4.042 -31.291 -0.828) 31.561 ======================= Grid point 272 (93/105) ======================= q-point: (-0.50 0.15 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( -3.035 6.477 3.521) 7.972 1.585 ( 3.035 6.477 3.521) 7.972 2.249 ( -3.479 23.888 3.341) 24.370 2.249 ( 3.479 23.888 3.341) 24.370 2.947 ( -4.022 5.860 5.676) 9.096 2.947 ( 4.022 5.859 5.676) 9.096 3.047 ( -1.261 14.812 -2.461) 15.068 3.047 ( 1.261 14.812 -2.461) 15.068 4.233 ( -19.874 -7.000 12.434) 24.466 4.233 ( 19.874 -7.000 12.434) 24.466 4.443 ( -19.056 -9.206 -1.957) 21.253 4.443 ( 19.056 -9.206 -1.957) 21.253 5.380 ( -2.130 -1.354 -4.270) 4.960 5.380 ( 2.130 -1.354 -4.270) 4.960 6.116 ( -0.273 3.815 -1.541) 4.123 6.116 ( 0.273 3.815 -1.541) 4.123 6.265 ( -0.838 1.371 2.629) 3.081 6.265 ( 0.838 1.371 2.629) 3.081 6.395 ( -1.475 -3.895 -1.837) 4.552 6.395 ( 1.475 -3.895 -1.837) 4.552 6.944 ( -0.326 0.426 2.994) 3.042 6.944 ( 0.326 0.426 2.994) 3.042 7.079 ( -0.288 4.722 -0.790) 4.797 7.079 ( 0.288 4.722 -0.790) 4.797 7.260 ( -5.522 10.523 4.315) 12.643 7.260 ( 5.522 10.523 4.315) 12.643 7.433 ( -5.216 6.482 -8.813) 12.119 7.433 ( 5.216 6.482 -8.813) 12.119 8.512 ( -9.146 0.858 2.828) 9.611 8.512 ( 9.146 0.858 2.828) 9.611 8.754 ( -9.360 -1.286 -7.216) 11.888 8.754 ( 9.360 -1.286 -7.216) 11.888 19.253 ( -0.154 1.583 0.056) 1.591 19.253 ( 0.154 1.583 0.056) 1.591 19.272 ( -0.089 0.935 -0.185) 0.958 19.272 ( 0.089 0.935 -0.185) 0.958 19.554 ( -0.171 -0.181 0.027) 0.251 19.554 ( 0.171 -0.181 0.027) 0.251 19.682 ( -0.056 -0.959 -0.163) 0.974 19.682 ( 0.056 -0.959 -0.163) 0.974 38.309 ( -0.337 0.007 -0.918) 0.978 38.309 ( 0.337 0.007 -0.918) 0.978 38.342 ( -0.437 -0.243 0.323) 0.596 38.342 ( 0.437 -0.243 0.323) 0.596 61.853 ( -0.563 -14.215 4.760) 15.001 61.853 ( 0.563 -14.215 4.760) 15.001 63.611 ( -3.275 -29.472 5.005) 30.073 63.611 ( 3.275 -29.472 5.005) 30.073 ======================= Grid point 275 (94/105) ======================= q-point: ( 0.00 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( 0.000 12.034 7.276) 14.063 1.983 ( 0.000 7.848 -5.963) 9.857 2.460 ( 0.000 2.975 19.190) 19.420 2.569 ( 0.000 -4.808 6.381) 7.989 2.814 ( 0.000 -8.804 1.392) 8.914 2.937 ( 0.000 13.897 -7.755) 15.914 3.187 ( 0.000 18.322 -1.139) 18.357 3.290 ( 0.000 4.720 -10.541) 11.549 3.777 ( 0.000 11.244 10.996) 15.727 3.936 ( 0.000 15.095 -2.839) 15.359 4.686 ( 0.000 -16.207 4.995) 16.959 4.774 ( 0.000 -16.731 -2.465) 16.911 5.311 ( 0.000 1.468 0.884) 1.714 5.388 ( 0.000 -0.371 -5.647) 5.659 6.094 ( 0.000 -3.828 3.648) 5.288 6.138 ( 0.000 -3.321 -1.241) 3.545 6.240 ( 0.000 -0.729 1.876) 2.013 6.276 ( 0.000 1.827 -1.974) 2.689 6.336 ( 0.000 2.704 -0.227) 2.713 6.377 ( 0.000 2.034 -4.476) 4.917 6.926 ( 0.000 -2.621 4.339) 5.069 6.977 ( 0.000 -4.229 -0.853) 4.314 7.024 ( 0.000 -1.123 1.537) 1.904 7.082 ( 0.000 0.613 -4.145) 4.190 7.381 ( 0.000 11.313 6.040) 12.824 7.502 ( 0.000 8.119 -5.258) 9.673 7.633 ( 0.000 3.781 4.140) 5.606 7.710 ( 0.000 7.069 -2.370) 7.456 8.314 ( 0.000 10.827 -0.343) 10.833 8.382 ( 0.000 14.813 -6.240) 16.074 8.927 ( 0.000 3.935 5.806) 7.014 9.060 ( 0.000 1.882 -6.950) 7.201 19.282 ( 0.000 1.759 0.303) 1.784 19.290 ( 0.000 1.160 0.015) 1.160 19.292 ( 0.000 1.734 -0.633) 1.846 19.294 ( 0.000 1.183 -0.447) 1.265 19.541 ( 0.000 0.017 0.268) 0.269 19.547 ( 0.000 -0.112 -0.301) 0.321 19.665 ( 0.000 -1.267 0.009) 1.267 19.668 ( 0.000 -1.245 -0.289) 1.278 38.298 ( 0.000 0.950 -0.663) 1.158 38.300 ( 0.000 0.996 -0.804) 1.280 38.351 ( 0.000 -0.216 0.820) 0.848 38.357 ( 0.000 -0.323 0.342) 0.470 61.511 ( 0.000 -16.641 3.539) 17.013 61.515 ( 0.000 -15.287 3.014) 15.582 62.967 ( 0.000 -33.517 8.289) 34.527 63.049 ( 0.000 -37.252 0.359) 37.253 ======================= Grid point 276 (95/105) ======================= q-point: ( 0.25 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( -3.654 11.549 5.689) 13.383 1.867 ( -7.903 9.270 -1.715) 12.302 2.431 ( 0.850 0.107 11.300) 11.333 2.587 ( -5.474 -0.984 -3.482) 6.562 2.909 ( 14.152 -0.782 14.019) 19.936 3.101 ( 6.791 18.682 -2.508) 20.036 3.224 ( 4.095 14.121 1.585) 14.788 3.378 ( 6.029 6.178 -13.198) 15.771 3.837 ( 8.455 1.573 9.030) 12.470 3.969 ( 4.152 11.323 -2.065) 12.236 4.511 ( -15.140 -13.104 4.700) 20.568 4.603 ( -15.799 -15.489 -3.572) 22.411 5.332 ( 1.780 1.010 0.113) 2.049 5.393 ( -0.218 -0.124 -5.198) 5.204 6.105 ( 1.024 -4.505 3.429) 5.753 6.138 ( -0.200 -3.979 -0.320) 3.997 6.245 ( 0.770 0.700 2.360) 2.579 6.288 ( 0.235 1.084 -0.885) 1.420 6.337 ( 0.873 2.041 -1.567) 2.717 6.385 ( 0.251 1.695 -5.229) 5.503 6.916 ( -0.601 -2.503 3.894) 4.668 6.935 ( -1.914 -3.025 1.794) 4.004 7.089 ( 3.617 -1.087 -1.180) 3.957 7.109 ( 1.912 0.796 -3.142) 3.763 7.392 ( 1.483 10.420 5.998) 12.114 7.514 ( 1.119 6.654 -4.681) 8.212 7.571 ( -4.447 7.779 3.727) 9.705 7.677 ( -3.570 6.062 -5.160) 8.724 8.394 ( 8.303 11.249 3.207) 14.345 8.509 ( 10.204 10.765 -7.200) 16.488 8.844 ( -7.596 4.698 5.724) 10.608 8.979 ( -7.667 2.827 -7.114) 10.834 19.283 ( 0.075 1.728 0.243) 1.747 19.288 ( -0.132 1.450 -0.035) 1.457 19.292 ( 0.044 1.447 -0.508) 1.534 19.294 ( -0.031 1.198 -0.449) 1.280 19.545 ( 0.360 -0.016 0.181) 0.403 19.549 ( 0.205 -0.108 -0.229) 0.326 19.662 ( -0.191 -1.246 -0.028) 1.261 19.665 ( -0.272 -1.231 -0.250) 1.285 38.304 ( 0.533 0.826 -0.443) 1.078 38.308 ( 0.609 0.807 -0.865) 1.331 38.345 ( -0.518 -0.079 0.756) 0.920 38.351 ( -0.525 -0.195 0.192) 0.592 61.530 ( 1.479 -16.465 3.447) 16.887 61.532 ( 1.377 -15.604 3.110) 15.970 62.959 ( -0.396 -33.909 7.192) 34.666 63.018 ( -2.644 -36.580 1.550) 36.708 ======================= Grid point 277 (96/105) ======================= q-point: (-0.50 0.23 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( -1.956 11.113 2.521) 11.562 1.759 ( 1.956 11.113 2.521) 11.562 2.483 ( -4.037 -0.755 3.074) 5.130 2.483 ( 4.037 -0.755 3.074) 5.130 3.114 ( -4.645 14.611 5.992) 16.461 3.114 ( 4.645 14.611 5.992) 16.461 3.370 ( -6.690 11.950 -1.933) 13.831 3.370 ( 6.690 11.950 -1.933) 13.831 4.109 ( -3.448 -4.942 4.114) 7.296 4.109 ( 3.448 -4.942 4.114) 7.296 4.246 ( -6.900 -9.588 -3.666) 12.369 4.246 ( 6.900 -9.588 -3.666) 12.369 5.370 ( -1.787 0.539 -2.722) 3.301 5.370 ( 1.787 0.539 -2.722) 3.301 6.127 ( -0.902 -4.682 1.782) 5.091 6.127 ( 0.902 -4.682 1.782) 5.091 6.271 ( -1.461 1.312 2.103) 2.877 6.271 ( 1.461 1.312 2.103) 2.878 6.371 ( -1.663 1.113 -4.927) 5.318 6.371 ( 1.663 1.113 -4.927) 5.318 6.913 ( -0.367 -2.458 3.242) 4.085 6.913 ( 0.367 -2.458 3.242) 4.085 7.131 ( -0.255 0.572 -2.268) 2.353 7.131 ( 0.255 0.572 -2.268) 2.353 7.456 ( -4.634 7.822 5.431) 10.591 7.456 ( 4.634 7.822 5.431) 10.591 7.588 ( -4.323 7.620 -6.475) 10.893 7.588 ( 4.323 7.620 -6.475) 10.893 8.601 ( -9.366 9.028 4.100) 13.639 8.601 ( 9.366 9.028 4.100) 13.639 8.782 ( -9.635 4.882 -6.044) 12.377 8.782 ( 9.635 4.882 -6.044) 12.377 19.285 ( -0.129 1.633 0.096) 1.641 19.285 ( 0.129 1.633 0.096) 1.641 19.293 ( -0.036 1.272 -0.465) 1.355 19.293 ( 0.036 1.272 -0.465) 1.355 19.551 ( -0.119 -0.077 -0.031) 0.145 19.551 ( 0.119 -0.077 -0.031) 0.145 19.660 ( -0.069 -1.221 -0.139) 1.231 19.660 ( 0.069 -1.221 -0.139) 1.231 38.315 ( -0.271 0.594 -0.502) 0.824 38.315 ( 0.271 0.594 -0.502) 0.824 38.340 ( -0.306 0.061 0.294) 0.429 38.340 ( 0.306 0.061 0.294) 0.429 61.550 ( -0.059 -16.102 3.281) 16.433 61.550 ( 0.059 -16.102 3.281) 16.433 62.969 ( -1.624 -35.107 4.417) 35.421 62.969 ( 1.624 -35.107 4.417) 35.421 ======================= Grid point 280 (97/105) ======================= q-point: ( 0.00 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.108 ( 0.000 14.916 3.768) 15.385 2.166 ( 0.000 10.275 -1.187) 10.343 2.388 ( 0.000 -7.005 15.644) 17.140 2.448 ( 0.000 -6.375 4.188) 7.628 2.614 ( 0.000 -10.696 -3.050) 11.123 2.838 ( 0.000 -15.933 -17.127) 23.392 3.559 ( 0.000 16.449 3.837) 16.890 3.570 ( 0.000 18.402 2.206) 18.534 4.028 ( 0.000 10.795 7.598) 13.201 4.190 ( 0.000 7.378 -2.026) 7.651 4.352 ( 0.000 -15.377 -6.393) 16.653 4.429 ( 0.000 -17.212 -9.246) 19.538 5.358 ( 0.000 3.208 0.091) 3.209 5.397 ( 0.000 1.414 -3.281) 3.573 5.996 ( 0.000 -5.530 2.305) 5.991 6.010 ( 0.000 -7.434 0.956) 7.495 6.269 ( 0.000 1.970 1.054) 2.234 6.309 ( 0.000 1.291 -2.499) 2.813 6.389 ( 0.000 2.559 -1.243) 2.845 6.417 ( 0.000 1.847 -4.121) 4.516 6.882 ( 0.000 -1.748 2.458) 3.016 6.900 ( 0.000 -3.328 0.422) 3.354 6.985 ( 0.000 -2.648 3.169) 4.130 7.065 ( 0.000 -2.272 -4.593) 5.124 7.539 ( 0.000 4.828 3.204) 5.794 7.569 ( 0.000 0.702 0.915) 1.153 7.706 ( 0.000 2.850 2.228) 3.617 7.788 ( 0.000 1.702 -4.715) 5.013 8.614 ( 0.000 17.802 5.089) 18.515 8.712 ( 0.000 17.320 -4.064) 17.791 9.083 ( 0.000 11.184 4.587) 12.088 9.155 ( 0.000 7.631 -2.385) 7.995 19.313 ( 0.000 1.192 -0.139) 1.200 19.315 ( 0.000 1.494 0.162) 1.503 19.316 ( 0.000 1.085 -0.475) 1.185 19.325 ( 0.000 1.459 -0.759) 1.645 19.543 ( 0.000 0.205 0.106) 0.231 19.547 ( 0.000 0.106 -0.241) 0.263 19.639 ( 0.000 -1.293 0.009) 1.293 19.643 ( 0.000 -1.313 -0.288) 1.344 38.321 ( 0.000 1.355 -0.139) 1.362 38.325 ( 0.000 1.433 -0.452) 1.503 38.350 ( 0.000 0.116 0.597) 0.608 38.354 ( 0.000 0.020 0.286) 0.287 61.208 ( 0.000 -13.621 2.969) 13.941 61.232 ( 0.000 -12.943 0.604) 12.957 62.308 ( 0.000 -32.803 4.152) 33.065 62.334 ( 0.000 -34.797 1.675) 34.837 ======================= Grid point 281 (98/105) ======================= q-point: ( 0.25 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.021 ( -4.048 11.187 5.480) 13.098 2.092 ( -5.344 13.857 -1.489) 14.926 2.361 ( 0.134 -3.711 4.386) 5.747 2.461 ( -5.240 -8.789 -5.176) 11.467 2.792 ( 20.839 -9.889 15.065) 27.550 3.123 ( 18.970 -15.188 -13.919) 28.005 3.513 ( -3.117 14.510 7.317) 16.546 3.630 ( 3.681 18.154 -3.374) 18.828 3.970 ( -5.314 5.648 9.100) 11.956 4.172 ( -2.475 1.914 1.535) 3.485 4.237 ( -9.854 -10.520 -11.871) 18.673 4.323 ( -7.796 -8.854 -8.891) 14.772 5.374 ( 1.556 3.191 0.055) 3.551 5.413 ( 0.724 2.170 -3.341) 4.049 5.983 ( -0.850 -7.106 2.668) 7.638 5.996 ( -1.108 -8.294 1.618) 8.523 6.285 ( 1.438 2.267 0.692) 2.773 6.326 ( 0.984 1.855 -2.980) 3.645 6.377 ( -0.345 1.963 -0.598) 2.080 6.420 ( -0.265 1.579 -4.702) 4.967 6.873 ( -0.536 -1.776 2.730) 3.301 6.881 ( -0.699 -2.000 1.513) 2.604 7.048 ( 4.304 -2.950 0.889) 5.293 7.095 ( 2.037 -2.250 -3.578) 4.692 7.534 ( -0.038 4.118 3.784) 5.593 7.572 ( 0.020 1.244 1.455) 1.914 7.684 ( -1.584 3.181 0.564) 3.598 7.753 ( -3.113 1.853 -4.693) 5.929 8.684 ( 6.508 16.836 5.297) 18.811 8.782 ( 6.417 15.588 -3.961) 17.316 9.016 ( -6.246 11.896 4.969) 14.326 9.096 ( -5.615 8.795 -2.721) 10.784 19.312 ( -0.006 1.197 -0.119) 1.203 19.314 ( -0.069 1.284 -0.053) 1.287 19.318 ( 0.126 1.303 -0.346) 1.354 19.323 ( -0.112 1.437 -0.681) 1.595 19.547 ( 0.318 0.191 0.050) 0.374 19.549 ( 0.225 0.122 -0.203) 0.327 19.637 ( -0.175 -1.295 -0.025) 1.307 19.640 ( -0.257 -1.308 -0.248) 1.356 38.324 ( 0.295 1.227 -0.053) 1.263 38.329 ( 0.279 1.234 -0.436) 1.338 38.347 ( -0.270 0.261 0.566) 0.679 38.351 ( -0.267 0.171 0.192) 0.370 61.229 ( 1.716 -13.503 2.613) 13.860 61.246 ( 1.067 -12.993 0.920) 13.070 62.294 ( -1.048 -33.089 3.814) 33.325 62.313 ( -1.770 -34.516 2.074) 34.623 ======================= Grid point 282 (99/105) ======================= q-point: (-0.50 0.31 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -2.350 13.740 1.943) 14.074 2.006 ( 2.350 13.740 1.943) 14.074 2.383 ( -2.286 -6.404 -0.846) 6.852 2.383 ( 2.286 -6.404 -0.846) 6.852 3.197 ( -15.055 -8.648 12.931) 21.648 3.197 ( 15.055 -8.648 12.931) 21.648 3.601 ( -10.159 11.281 -11.517) 19.055 3.601 ( 10.159 11.281 -11.517) 19.055 3.955 ( -9.003 -8.726 5.522) 13.699 3.955 ( 9.003 -8.726 5.521) 13.699 4.208 ( -3.111 4.141 -8.935) 10.328 4.208 ( 3.111 4.141 -8.935) 10.328 5.407 ( -1.260 3.205 -1.719) 3.849 5.407 ( 1.260 3.205 -1.719) 3.849 5.978 ( -0.417 -8.913 2.585) 9.289 5.978 ( 0.417 -8.913 2.585) 9.289 6.318 ( -1.491 2.570 -0.386) 2.996 6.318 ( 1.491 2.570 -0.386) 2.996 6.398 ( -1.728 1.190 -3.688) 4.243 6.398 ( 1.728 1.190 -3.688) 4.243 6.872 ( -0.327 -1.397 2.348) 2.751 6.872 ( 0.327 -1.397 2.348) 2.751 7.110 ( -1.150 -2.517 -1.601) 3.197 7.110 ( 1.150 -2.517 -1.601) 3.197 7.553 ( -1.728 2.735 4.081) 5.208 7.553 ( 1.728 2.735 4.081) 5.208 7.688 ( -2.431 2.543 -3.747) 5.139 7.688 ( 2.431 2.543 -3.747) 5.139 8.847 ( -8.416 14.782 4.828) 17.682 8.847 ( 8.416 14.782 4.828) 17.682 8.948 ( -7.906 11.396 -2.872) 14.164 8.948 ( 7.906 11.396 -2.872) 14.164 19.313 ( -0.033 1.224 -0.087) 1.227 19.313 ( 0.033 1.224 -0.087) 1.227 19.321 ( -0.149 1.382 -0.505) 1.479 19.321 ( 0.149 1.382 -0.505) 1.479 19.552 ( -0.075 0.161 -0.086) 0.198 19.552 ( 0.075 0.161 -0.086) 0.198 19.635 ( -0.070 -1.304 -0.134) 1.313 19.635 ( 0.070 -1.304 -0.134) 1.313 38.331 ( -0.209 0.987 -0.111) 1.015 38.331 ( 0.209 0.987 -0.111) 1.015 38.345 ( -0.197 0.442 0.233) 0.538 38.345 ( 0.197 0.442 0.233) 0.538 61.256 ( -0.475 -13.201 1.745) 13.324 61.256 ( 0.475 -13.201 1.745) 13.324 62.285 ( -0.501 -33.818 2.977) 33.953 62.285 ( 0.501 -33.818 2.977) 33.953 ======================= Grid point 285 (100/105) ======================= q-point: ( 0.00 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.192 ( 0.000 -6.616 10.362) 12.293 2.293 ( 0.000 -2.613 5.360) 5.963 2.402 ( 0.000 -3.898 0.634) 3.949 2.450 ( 0.000 9.911 -6.965) 12.113 2.464 ( 0.000 8.222 -6.199) 10.296 2.509 ( 0.000 -12.724 -11.037) 16.844 3.706 ( 0.000 -5.393 14.901) 15.847 3.801 ( 0.000 -2.819 14.255) 14.531 4.015 ( 0.000 -4.011 -14.084) 14.644 4.129 ( 0.000 1.400 -13.413) 13.485 4.246 ( 0.000 0.972 -3.679) 3.805 4.353 ( 0.000 2.783 -10.228) 10.600 5.427 ( 0.000 3.439 -0.518) 3.478 5.439 ( 0.000 2.595 -1.535) 3.015 5.885 ( 0.000 -4.939 1.198) 5.083 5.895 ( 0.000 -4.464 0.398) 4.482 6.302 ( 0.000 1.380 0.440) 1.449 6.327 ( 0.000 0.558 -1.857) 1.940 6.431 ( 0.000 1.705 -2.124) 2.724 6.446 ( 0.000 1.157 -3.811) 3.982 6.852 ( 0.000 -1.555 1.439) 2.119 6.861 ( 0.000 -0.393 0.566) 0.689 6.930 ( 0.000 -2.731 3.720) 4.615 7.003 ( 0.000 -3.760 -3.350) 5.036 7.583 ( 0.000 1.001 2.209) 2.425 7.593 ( 0.000 1.442 0.986) 1.747 7.735 ( 0.000 0.469 1.355) 1.434 7.794 ( 0.000 -0.895 -3.884) 3.985 8.941 ( 0.000 14.483 6.296) 15.793 9.011 ( 0.000 12.409 -0.329) 12.413 9.309 ( 0.000 10.579 3.885) 11.270 9.327 ( 0.000 8.802 2.125) 9.055 19.334 ( 0.000 0.922 -0.332) 0.980 19.335 ( 0.000 0.817 -0.459) 0.937 19.340 ( 0.000 0.981 -0.010) 0.981 19.347 ( 0.000 0.828 -0.747) 1.115 19.549 ( 0.000 0.398 -0.010) 0.398 19.551 ( 0.000 0.334 -0.200) 0.389 19.616 ( 0.000 -1.101 -0.041) 1.102 19.618 ( 0.000 -1.155 -0.266) 1.185 38.346 ( 0.000 1.052 0.190) 1.069 38.350 ( 0.000 0.736 0.027) 0.736 38.357 ( 0.000 0.723 0.248) 0.764 38.357 ( 0.000 0.387 0.300) 0.489 61.006 ( 0.000 -6.488 1.953) 6.776 61.035 ( 0.000 -6.691 -0.792) 6.738 61.725 ( 0.000 -25.969 1.386) 26.006 61.728 ( 0.000 -26.404 1.064) 26.426 ======================= Grid point 286 (101/105) ======================= q-point: ( 0.25 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 0.918 0.960 6.265) 6.404 2.300 ( -2.389 -6.310 -6.676) 9.492 2.376 ( -4.954 12.280 -1.568) 13.334 2.417 ( -4.017 9.363 -3.778) 10.867 2.586 ( 19.572 -8.465 9.754) 23.449 2.801 ( 17.975 -14.800 -10.038) 25.356 3.578 ( -9.867 -8.354 14.132) 19.154 3.798 ( -8.138 -18.551 4.117) 20.672 3.948 ( -0.196 11.898 -8.254) 14.482 4.093 ( -2.944 5.847 -9.979) 11.935 4.250 ( 0.492 1.398 -4.545) 4.781 4.330 ( -2.184 2.443 -9.301) 9.861 5.446 ( 2.096 3.856 -0.043) 4.389 5.471 ( 2.133 3.375 -2.312) 4.614 5.845 ( -3.059 -6.170 1.676) 7.087 5.859 ( -3.016 -5.745 0.545) 6.512 6.323 ( 1.798 1.574 0.141) 2.393 6.352 ( 1.943 0.771 -2.501) 3.260 6.411 ( -1.339 1.507 -1.094) 2.294 6.443 ( -0.841 0.681 -4.074) 4.215 6.851 ( 0.409 -0.298 2.106) 2.166 6.864 ( 0.273 0.176 0.692) 0.764 6.982 ( 3.844 -3.597 2.021) 5.639 7.029 ( 1.857 -4.069 -2.471) 5.110 7.580 ( 0.046 1.577 2.329) 2.813 7.598 ( 0.272 1.263 0.917) 1.584 7.711 ( -1.862 0.179 0.555) 1.951 7.759 ( -3.001 -0.913 -3.570) 4.752 8.995 ( 5.038 13.876 6.123) 15.981 9.061 ( 4.616 11.853 -0.094) 12.721 9.253 ( -5.105 11.018 4.622) 12.993 9.286 ( -4.021 9.428 1.434) 10.349 19.333 ( 0.003 0.918 -0.296) 0.965 19.335 ( -0.020 0.902 -0.403) 0.988 19.340 ( 0.074 0.899 -0.166) 0.918 19.346 ( -0.130 0.823 -0.671) 1.070 19.553 ( 0.329 0.428 -0.041) 0.541 19.554 ( 0.283 0.387 -0.189) 0.515 19.613 ( -0.218 -1.150 -0.060) 1.172 19.615 ( -0.276 -1.185 -0.237) 1.239 38.348 ( 0.095 0.994 0.217) 1.021 38.350 ( 0.038 0.752 0.072) 0.756 38.355 ( -0.078 0.595 0.304) 0.672 38.357 ( -0.053 0.542 0.164) 0.568 61.031 ( 2.029 -6.200 1.554) 6.706 61.052 ( 1.282 -6.302 -0.473) 6.448 61.704 ( -1.618 -26.470 1.435) 26.558 61.708 ( -1.670 -26.561 1.096) 26.636 ======================= Grid point 287 (102/105) ======================= q-point: (-0.50 0.38 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.227 ( -6.282 3.718 3.018) 7.899 2.227 ( 6.282 3.718 3.018) 7.899 2.337 ( -2.992 6.378 -6.266) 9.428 2.337 ( 2.992 6.378 -6.266) 9.428 2.952 ( -10.526 -12.440 5.826) 17.306 2.952 ( 10.526 -12.440 5.826) 17.306 3.523 ( -11.121 -15.164 -2.099) 18.922 3.523 ( 11.121 -15.164 -2.099) 18.922 4.019 ( -4.332 10.546 -2.870) 11.757 4.019 ( 4.332 10.546 -2.871) 11.757 4.278 ( -2.345 1.976 -7.435) 8.043 4.278 ( 2.345 1.976 -7.435) 8.043 5.488 ( -1.052 4.767 -1.327) 5.059 5.488 ( 1.052 4.767 -1.327) 5.059 5.811 ( -0.619 -7.708 1.390) 7.857 5.811 ( 0.619 -7.708 1.390) 7.857 6.361 ( -1.577 1.855 -0.952) 2.614 6.361 ( 1.578 1.855 -0.952) 2.614 6.412 ( -1.762 0.289 -2.824) 3.341 6.412 ( 1.762 0.289 -2.824) 3.341 6.864 ( -0.469 0.605 1.485) 1.671 6.864 ( 0.469 0.605 1.485) 1.671 7.041 ( -1.272 -4.202 -0.337) 4.403 7.041 ( 1.272 -4.202 -0.337) 4.403 7.592 ( -0.949 1.834 2.113) 2.954 7.592 ( 0.949 1.834 2.113) 2.954 7.701 ( -1.741 -0.741 -2.244) 2.935 7.701 ( 1.741 -0.741 -2.244) 2.935 9.124 ( -7.033 12.427 5.579) 15.330 9.124 ( 7.033 12.427 5.579) 15.330 9.177 ( -6.215 10.614 0.519) 12.310 9.177 ( 6.215 10.614 0.519) 12.310 19.334 ( -0.046 0.941 -0.297) 0.988 19.334 ( 0.046 0.941 -0.297) 0.988 19.343 ( -0.156 0.828 -0.466) 0.963 19.343 ( 0.156 0.828 -0.466) 0.963 19.558 ( -0.048 0.472 -0.126) 0.491 19.558 ( 0.048 0.472 -0.126) 0.491 19.610 ( -0.060 -1.230 -0.144) 1.240 19.610 ( 0.060 -1.230 -0.144) 1.240 38.350 ( -0.091 0.859 0.234) 0.895 38.350 ( 0.091 0.859 0.234) 0.895 38.355 ( -0.077 0.575 0.141) 0.597 38.355 ( 0.077 0.575 0.141) 0.597 61.064 ( -0.608 -5.823 0.496) 5.876 61.064 ( 0.608 -5.823 0.496) 5.876 61.684 ( -0.126 -26.933 1.310) 26.965 61.684 ( 0.126 -26.933 1.310) 26.965 ======================= Grid point 290 (103/105) ======================= q-point: ( 0.00 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 177 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.115 ( 0.000 0.094 0.014) 0.095 2.208 ( 0.000 -7.702 -7.109) 10.481 2.260 ( 0.000 -3.467 -1.064) 3.626 2.283 ( 0.000 -4.274 -1.969) 4.705 2.709 ( 0.000 10.687 -1.752) 10.830 2.730 ( 0.000 9.722 -3.729) 10.413 3.493 ( 0.000 -9.140 9.795) 13.397 3.540 ( 0.000 -13.044 6.188) 14.437 4.117 ( 0.000 5.846 -8.475) 10.296 4.175 ( 0.000 0.330 -13.064) 13.068 4.298 ( 0.000 3.441 -2.214) 4.091 4.357 ( 0.000 -1.881 -7.581) 7.811 5.478 ( 0.000 1.509 -0.490) 1.586 5.480 ( 0.000 1.195 -0.658) 1.364 5.824 ( 0.000 -1.304 -0.059) 1.306 5.831 ( 0.000 -1.937 -0.627) 2.036 6.323 ( 0.000 0.786 -0.269) 0.830 6.332 ( 0.000 -0.092 -1.083) 1.087 6.455 ( 0.000 0.745 -2.795) 2.892 6.460 ( 0.000 0.214 -3.394) 3.401 6.840 ( 0.000 0.250 1.840) 1.857 6.855 ( 0.000 -0.780 0.509) 0.931 6.898 ( 0.000 0.236 1.969) 1.983 6.934 ( 0.000 -2.971 -1.329) 3.255 7.604 ( 0.000 0.882 1.673) 1.891 7.610 ( 0.000 0.305 1.009) 1.054 7.742 ( 0.000 0.644 -0.311) 0.715 7.765 ( 0.000 -1.619 -2.358) 2.860 9.148 ( 0.000 6.195 5.369) 8.198 9.172 ( 0.000 3.705 3.041) 4.793 9.457 ( 0.000 4.010 4.257) 5.848 9.458 ( 0.000 3.814 4.186) 5.663 19.346 ( 0.000 0.334 -0.409) 0.528 19.346 ( 0.000 0.346 -0.400) 0.529 19.353 ( 0.000 0.435 -0.311) 0.535 19.357 ( 0.000 0.131 -0.608) 0.622 19.557 ( 0.000 0.332 -0.085) 0.343 19.558 ( 0.000 0.262 -0.159) 0.306 19.599 ( 0.000 -0.512 -0.122) 0.527 19.600 ( 0.000 -0.608 -0.218) 0.646 38.356 ( 0.000 0.153 0.263) 0.304 38.356 ( 0.000 0.152 0.227) 0.273 38.369 ( 0.000 0.514 0.354) 0.625 38.371 ( 0.000 0.379 0.196) 0.427 60.959 ( 0.000 0.969 0.811) 1.264 60.975 ( 0.000 -0.277 -0.639) 0.697 61.337 ( 0.000 -12.059 0.030) 12.059 61.339 ( 0.000 -12.073 -0.156) 12.074 ======================= Grid point 291 (104/105) ======================= q-point: ( 0.25 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 234 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.169 ( 5.275 3.003 -1.121) 6.172 2.219 ( 3.019 -2.042 -5.104) 6.272 2.377 ( 7.514 -5.005 0.110) 9.029 2.411 ( 4.677 -7.354 -3.801) 9.508 2.712 ( 2.774 10.610 -0.412) 10.975 2.748 ( 6.214 7.305 -3.752) 10.298 3.363 ( -11.541 -8.280 8.137) 16.370 3.441 ( -10.438 -14.981 1.501) 18.320 4.134 ( 2.065 6.549 -5.773) 8.971 4.195 ( 1.674 1.395 -10.957) 11.172 4.278 ( -1.807 2.432 -1.956) 3.606 4.333 ( -2.308 -1.871 -7.137) 7.731 5.510 ( 3.313 2.284 -0.172) 4.028 5.522 ( 3.629 1.241 -1.229) 4.027 5.764 ( -5.175 -1.866 0.192) 5.505 5.774 ( -4.978 -2.692 -0.664) 5.698 6.347 ( 2.053 0.923 -0.552) 2.318 6.358 ( 2.191 -0.137 -1.503) 2.660 6.435 ( -1.652 0.914 -2.097) 2.822 6.447 ( -1.404 -0.242 -3.181) 3.486 6.863 ( 1.952 1.420 1.816) 3.021 6.882 ( 1.731 1.042 -0.164) 2.027 6.920 ( 2.071 -1.947 2.067) 3.515 6.951 ( 1.258 -3.534 -0.976) 3.876 7.608 ( 0.607 1.158 1.317) 1.855 7.616 ( 0.752 0.429 0.537) 1.019 7.711 ( -2.722 0.297 -0.240) 2.749 7.731 ( -3.043 -1.607 -2.015) 3.988 9.194 ( 4.282 5.957 5.307) 9.055 9.217 ( 4.116 3.638 3.142) 6.328 9.410 ( -4.188 4.577 4.711) 7.790 9.421 ( -3.733 3.546 3.756) 6.373 19.347 ( 0.054 0.406 -0.369) 0.551 19.348 ( 0.090 0.341 -0.469) 0.587 19.352 ( -0.088 0.367 -0.307) 0.487 19.355 ( -0.135 0.129 -0.572) 0.602 19.562 ( 0.468 0.429 -0.097) 0.642 19.563 ( 0.462 0.373 -0.168) 0.617 19.594 ( -0.398 -0.626 -0.120) 0.751 19.595 ( -0.411 -0.701 -0.208) 0.839 38.358 ( 0.159 0.238 0.296) 0.412 38.359 ( 0.200 0.155 0.201) 0.323 38.367 ( -0.188 0.476 0.355) 0.622 38.369 ( -0.184 0.326 0.187) 0.418 60.996 ( 3.220 2.059 0.610) 3.871 61.009 ( 2.926 1.189 -0.599) 3.215 61.301 ( -3.093 -13.298 0.222) 13.655 61.305 ( -3.015 -13.387 -0.191) 13.723 ======================= Grid point 292 (105/105) ======================= q-point: (-0.50 0.46 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.39e-05 7.39e-05 7.39e-05 7.39e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 1.84e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 176 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -1.659 4.834 -2.267) 5.591 2.276 ( 1.659 4.833 -2.267) 5.591 2.401 ( -0.182 -4.975 -3.531) 6.103 2.401 ( 0.182 -4.975 -3.531) 6.103 2.898 ( -5.787 9.599 1.688) 11.335 2.898 ( 5.787 9.599 1.688) 11.335 3.191 ( -6.301 -17.444 -0.019) 18.547 3.191 ( 6.301 -17.444 -0.019) 18.547 4.192 ( -2.838 6.555 -4.817) 8.615 4.192 ( 2.838 6.555 -4.817) 8.615 4.276 ( -2.590 -2.157 -5.862) 6.762 4.276 ( 2.590 -2.157 -5.862) 6.762 5.583 ( -1.054 4.854 -0.953) 5.058 5.583 ( 1.054 4.854 -0.953) 5.058 5.682 ( -0.961 -5.605 -0.019) 5.687 5.682 ( 0.961 -5.606 -0.019) 5.687 6.391 ( -1.639 1.246 -1.459) 2.524 6.391 ( 1.639 1.246 -1.459) 2.524 6.409 ( -1.707 -0.588 -2.087) 2.760 6.409 ( 1.707 -0.588 -2.087) 2.760 6.895 ( -0.670 2.509 0.885) 2.744 6.895 ( 0.670 2.509 0.885) 2.744 6.959 ( -0.962 -3.930 0.409) 4.066 6.959 ( 0.962 -3.930 0.409) 4.066 7.631 ( -0.823 2.134 0.466) 2.334 7.631 ( 0.823 2.134 0.466) 2.334 7.672 ( -1.182 -1.960 -0.905) 2.461 7.672 ( 1.182 -1.960 -0.905) 2.461 9.303 ( -5.743 5.358 5.129) 9.381 9.303 ( 5.743 5.358 5.129) 9.381 9.321 ( -5.426 3.499 3.361) 7.279 9.321 ( 5.426 3.499 3.361) 7.279 19.348 ( -0.074 0.492 -0.402) 0.640 19.348 ( 0.074 0.492 -0.402) 0.640 19.352 ( -0.119 0.130 -0.451) 0.484 19.352 ( 0.119 0.130 -0.451) 0.484 19.570 ( -0.041 0.782 -0.148) 0.797 19.570 ( 0.041 0.782 -0.148) 0.797 19.588 ( -0.046 -1.044 -0.153) 1.056 19.588 ( 0.046 -1.044 -0.153) 1.056 38.362 ( -0.230 0.383 0.327) 0.554 38.362 ( 0.230 0.383 0.327) 0.554 38.364 ( -0.250 0.212 0.192) 0.380 38.364 ( 0.250 0.212 0.192) 0.380 61.049 ( -0.470 4.742 -0.125) 4.767 61.049 ( 0.470 4.742 -0.125) 4.767 61.256 ( -0.250 -16.458 0.144) 16.461 61.256 ( 0.250 -16.458 0.144) 16.461 =================== 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 3/22464 10.0 280.179 408.209 243.468 0.000 0.000 -0.000 3/22464 20.0 108.014 195.363 88.874 0.000 0.000 -0.000 3/22464 30.0 68.371 137.920 56.601 0.000 0.000 0.000 3/22464 40.0 48.757 100.014 40.683 0.000 0.000 0.000 3/22464 50.0 35.888 73.329 30.417 0.000 0.000 0.000 3/22464 60.0 27.362 55.489 23.564 0.000 0.000 0.000 3/22464 70.0 21.659 43.617 18.921 0.000 0.000 0.000 3/22464 80.0 17.739 35.515 15.690 0.000 0.000 0.000 3/22464 90.0 14.948 29.788 13.365 0.000 0.000 0.000 3/22464 100.0 12.890 25.592 11.634 0.000 0.000 0.000 3/22464 110.0 11.325 22.417 10.305 0.000 0.000 0.000 3/22464 120.0 10.099 19.943 9.256 0.000 0.000 0.000 3/22464 130.0 9.117 17.967 8.409 0.000 0.000 0.000 3/22464 140.0 8.313 16.355 7.710 0.000 0.000 0.000 3/22464 150.0 7.644 15.016 7.123 0.000 0.000 0.000 3/22464 160.0 7.077 13.887 6.624 0.000 0.000 0.000 3/22464 170.0 6.592 12.921 6.195 0.000 0.000 0.000 3/22464 180.0 6.171 12.085 5.821 0.000 0.000 0.000 3/22464 190.0 5.802 11.354 5.494 0.000 0.000 0.000 3/22464 200.0 5.476 10.710 5.204 0.000 0.000 0.000 3/22464 210.0 5.187 10.138 4.947 0.000 0.000 0.000 3/22464 220.0 4.927 9.626 4.717 0.000 0.000 0.000 3/22464 230.0 4.693 9.165 4.510 0.000 0.000 0.000 3/22464 240.0 4.481 8.747 4.324 0.000 0.000 0.000 3/22464 250.0 4.288 8.368 4.155 0.000 0.000 0.000 3/22464 260.0 4.111 8.021 4.001 0.000 0.000 0.000 3/22464 270.0 3.949 7.703 3.862 0.000 0.000 0.000 3/22464 280.0 3.799 7.410 3.734 0.000 0.000 0.000 3/22464 290.0 3.661 7.140 3.617 0.000 0.000 0.000 3/22464 300.0 3.532 6.889 3.509 0.000 0.000 0.000 3/22464 310.0 3.413 6.657 3.409 0.000 0.000 0.000 3/22464 320.0 3.302 6.441 3.317 0.000 0.000 0.000 3/22464 330.0 3.198 6.239 3.232 0.000 0.000 0.000 3/22464 340.0 3.100 6.051 3.153 0.000 0.000 0.000 3/22464 350.0 3.009 5.874 3.080 0.000 0.000 0.000 3/22464 360.0 2.923 5.709 3.011 0.000 0.000 0.000 3/22464 370.0 2.841 5.554 2.947 0.000 0.000 0.000 3/22464 380.0 2.765 5.408 2.887 0.000 0.000 0.000 3/22464 390.0 2.693 5.270 2.831 0.000 0.000 0.000 3/22464 400.0 2.624 5.141 2.778 0.000 0.000 0.000 3/22464 410.0 2.559 5.018 2.728 0.000 0.000 0.000 3/22464 420.0 2.498 4.903 2.681 0.000 0.000 0.000 3/22464 430.0 2.439 4.793 2.637 0.000 0.000 0.000 3/22464 440.0 2.383 4.690 2.596 0.000 0.000 0.000 3/22464 450.0 2.330 4.591 2.556 0.000 0.000 0.000 3/22464 460.0 2.280 4.498 2.518 0.000 0.000 0.000 3/22464 470.0 2.231 4.410 2.483 0.000 0.000 0.000 3/22464 480.0 2.185 4.326 2.449 0.000 0.000 0.000 3/22464 490.0 2.141 4.245 2.417 0.000 0.000 0.000 3/22464 500.0 2.099 4.169 2.386 0.000 0.000 0.000 3/22464 510.0 2.058 4.097 2.357 0.000 0.000 0.000 3/22464 520.0 2.019 4.027 2.329 0.000 0.000 0.000 3/22464 530.0 1.982 3.961 2.302 0.000 0.000 0.000 3/22464 540.0 1.946 3.898 2.276 0.000 0.000 0.000 3/22464 550.0 1.911 3.837 2.252 0.000 0.000 0.000 3/22464 560.0 1.878 3.779 2.228 0.000 0.000 0.000 3/22464 570.0 1.846 3.724 2.205 0.000 0.000 0.000 3/22464 580.0 1.815 3.670 2.183 0.000 0.000 0.000 3/22464 590.0 1.786 3.619 2.162 0.000 0.000 0.000 3/22464 600.0 1.757 3.570 2.142 0.000 0.000 0.000 3/22464 610.0 1.729 3.523 2.122 0.000 0.000 0.000 3/22464 620.0 1.703 3.478 2.103 0.000 0.000 0.000 3/22464 630.0 1.677 3.434 2.085 0.000 0.000 0.000 3/22464 640.0 1.652 3.392 2.067 0.000 0.000 0.000 3/22464 650.0 1.628 3.352 2.050 0.000 0.000 0.000 3/22464 660.0 1.604 3.312 2.033 0.000 0.000 0.000 3/22464 670.0 1.581 3.275 2.017 0.000 0.000 0.000 3/22464 680.0 1.559 3.238 2.001 0.000 0.000 0.000 3/22464 690.0 1.538 3.203 1.985 0.000 0.000 0.000 3/22464 700.0 1.517 3.168 1.970 0.000 0.000 0.000 3/22464 710.0 1.497 3.135 1.956 0.000 0.000 0.000 3/22464 720.0 1.478 3.103 1.941 0.000 0.000 0.000 3/22464 730.0 1.459 3.072 1.927 0.000 0.000 0.000 3/22464 740.0 1.440 3.042 1.914 0.000 0.000 0.000 3/22464 750.0 1.422 3.013 1.901 0.000 0.000 0.000 3/22464 760.0 1.405 2.984 1.887 0.000 0.000 0.000 3/22464 770.0 1.388 2.956 1.875 0.000 0.000 0.000 3/22464 780.0 1.371 2.929 1.862 0.000 0.000 0.000 3/22464 790.0 1.355 2.903 1.850 0.000 0.000 0.000 3/22464 800.0 1.339 2.877 1.838 0.000 0.000 0.000 3/22464 810.0 1.324 2.853 1.826 0.000 0.000 0.000 3/22464 820.0 1.309 2.828 1.814 0.000 0.000 0.000 3/22464 830.0 1.294 2.805 1.803 0.000 0.000 0.000 3/22464 840.0 1.280 2.781 1.792 0.000 0.000 0.000 3/22464 850.0 1.266 2.759 1.781 0.000 0.000 0.000 3/22464 860.0 1.252 2.737 1.770 0.000 0.000 0.000 3/22464 870.0 1.239 2.715 1.759 0.000 0.000 0.000 3/22464 880.0 1.226 2.694 1.749 0.000 0.000 0.000 3/22464 890.0 1.213 2.673 1.739 0.000 0.000 0.000 3/22464 900.0 1.201 2.653 1.728 0.000 0.000 0.000 3/22464 910.0 1.189 2.633 1.718 0.000 0.000 0.000 3/22464 920.0 1.177 2.614 1.708 0.000 0.000 0.000 3/22464 930.0 1.165 2.595 1.699 0.000 0.000 0.000 3/22464 940.0 1.154 2.576 1.689 0.000 0.000 0.000 3/22464 950.0 1.142 2.558 1.680 0.000 0.000 0.000 3/22464 960.0 1.131 2.540 1.670 0.000 0.000 0.000 3/22464 970.0 1.121 2.522 1.661 0.000 0.000 0.000 3/22464 980.0 1.110 2.505 1.652 0.000 0.000 0.000 3/22464 990.0 1.100 2.488 1.643 0.000 0.000 0.000 3/22464 1000.0 1.090 2.471 1.634 0.000 0.000 0.000 3/22464 Thermal conductivity related properties were written into "kappa-m4139.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:15:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|