----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:37:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Amm2 (38) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.686474719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.481250805000000 2.814992680000000 c 0.000000000000000 -4.481250805000000 2.814992680000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.88517166393012 0.47305952913036 6.941 2 Li 0.50000000000000 0.47305952913036 0.88517166393012 6.941 *3 B 0.18310682161410 0.74265770397405 0.74265770397405 10.811 *4 B 0.30657320247733 0.90208179716448 0.09827133572803 10.811 5 B 0.30657320247733 0.09827133572803 0.90208179716448 10.811 *6 B 0.81644354120672 0.25632416596533 0.25632416596533 10.811 *7 B 0.00000000000000 0.00651719137238 0.66776645562795 10.811 8 B 0.69342679752267 0.09827133572803 0.90208179716448 10.811 *9 B 0.00000000000000 0.33049255794662 0.99248324447185 10.811 10 B 0.00000000000000 0.66776645562795 0.00651719137238 10.811 11 B 0.69342679752267 0.90208179716448 0.09827133572803 10.811 12 B 0.81689317838590 0.74265770397405 0.74265770397405 10.811 13 B 0.00000000000000 0.99248324447185 0.33049255794662 10.811 14 B 0.18355645879328 0.25632416596533 0.25632416596533 10.811 *15 C 0.35320877611830 0.49821966592847 0.49821966592847 12.011 16 C 0.64679122388170 0.49821966592847 0.49821966592847 12.011 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.686474719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.962501610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 5.629985360000000 Atomic positions (fractional): *1 Li 0.50000000000000 0.70605606739988 0.17911559653024 6.941 > 1 2 Li 0.50000000000000 0.29394393260012 0.17911559653024 6.941 > 2 3 Li 0.50000000000000 0.20605606739988 0.67911559653024 6.941 > 1 4 Li 0.50000000000000 0.79394393260012 0.67911559653024 6.941 > 2 *5 B 0.18310682161410 0.50000000000000 0.24265770397405 10.811 > 3 *6 B 0.30657320247733 0.90190523071823 0.00017656644626 10.811 > 4 7 B 0.30657320247733 0.09809476928177 0.00017656644626 10.811 > 5 *8 B 0.81644354120672 0.50000000000000 0.75632416596533 10.811 > 6 *9 B 0.00000000000000 0.16937536787221 0.83714182350017 10.811 > 7 10 B 0.69342679752267 0.09809476928177 0.00017656644626 10.811 > 8 *11 B 0.00000000000000 0.16900465673739 0.16148790120923 10.811 > 9 12 B 0.00000000000000 0.83062463212779 0.83714182350017 10.811 > 10 13 B 0.69342679752267 0.90190523071823 0.00017656644626 10.811 > 11 14 B 0.81689317838590 0.50000000000000 0.24265770397405 10.811 > 12 15 B 0.00000000000000 0.83099534326261 0.16148790120923 10.811 > 13 16 B 0.18355645879328 0.50000000000000 0.75632416596533 10.811 > 14 17 B 0.18310682161410 0.00000000000000 0.74265770397405 10.811 > 3 18 B 0.30657320247733 0.40190523071823 0.50017656644626 10.811 > 4 19 B 0.30657320247733 0.59809476928177 0.50017656644626 10.811 > 5 20 B 0.81644354120672 0.00000000000000 0.25632416596533 10.811 > 6 21 B 0.00000000000000 0.66937536787221 0.33714182350017 10.811 > 7 22 B 0.69342679752267 0.59809476928177 0.50017656644626 10.811 > 8 23 B 0.00000000000000 0.66900465673739 0.66148790120923 10.811 > 9 24 B 0.00000000000000 0.33062463212779 0.33714182350017 10.811 > 10 25 B 0.69342679752267 0.40190523071823 0.50017656644626 10.811 > 11 26 B 0.81689317838590 0.00000000000000 0.74265770397405 10.811 > 12 27 B 0.00000000000000 0.33099534326261 0.66148790120923 10.811 > 13 28 B 0.18355645879328 0.00000000000000 0.25632416596533 10.811 > 14 *29 C 0.35320877611830 0.50000000000000 0.99821966592847 12.011 > 15 30 C 0.64679122388170 0.50000000000000 0.99821966592847 12.011 > 16 31 C 0.35320877611830 0.00000000000000 0.49821966592847 12.011 > 15 32 C 0.64679122388170 0.00000000000000 0.49821966592847 12.011 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.372949439999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.962501610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.259970720000000 Atomic positions (fractional): *1 Li 0.25000000000000 0.70605606739988 0.08955779826512 6.941 > 1 2 Li 0.75000000000000 0.70605606739988 0.08955779826512 6.941 > 1 3 Li 0.25000000000000 0.70605606739988 0.58955779826512 6.941 > 1 4 Li 0.75000000000000 0.70605606739988 0.58955779826512 6.941 > 1 5 Li 0.25000000000000 0.29394393260012 0.08955779826512 6.941 > 2 6 Li 0.75000000000000 0.29394393260012 0.08955779826512 6.941 > 2 7 Li 0.25000000000000 0.29394393260012 0.58955779826512 6.941 > 2 8 Li 0.75000000000000 0.29394393260012 0.58955779826512 6.941 > 2 9 Li 0.25000000000000 0.20605606739988 0.33955779826512 6.941 > 1 10 Li 0.75000000000000 0.20605606739988 0.33955779826512 6.941 > 1 11 Li 0.25000000000000 0.20605606739988 0.83955779826512 6.941 > 1 12 Li 0.75000000000000 0.20605606739988 0.83955779826512 6.941 > 1 13 Li 0.25000000000000 0.79394393260012 0.33955779826512 6.941 > 2 14 Li 0.75000000000000 0.79394393260012 0.33955779826512 6.941 > 2 15 Li 0.25000000000000 0.79394393260012 0.83955779826512 6.941 > 2 16 Li 0.75000000000000 0.79394393260012 0.83955779826512 6.941 > 2 *17 B 0.09155341080705 0.50000000000000 0.12132885198703 10.811 > 3 18 B 0.59155341080705 0.50000000000000 0.12132885198703 10.811 > 3 19 B 0.09155341080705 0.50000000000000 0.62132885198703 10.811 > 3 20 B 0.59155341080705 0.50000000000000 0.62132885198703 10.811 > 3 *21 B 0.15328660123866 0.90190523071823 0.00008828322313 10.811 > 4 22 B 0.65328660123866 0.90190523071823 0.00008828322313 10.811 > 4 23 B 0.15328660123866 0.90190523071823 0.50008828322313 10.811 > 4 24 B 0.65328660123866 0.90190523071823 0.50008828322313 10.811 > 4 25 B 0.15328660123866 0.09809476928177 0.00008828322313 10.811 > 5 26 B 0.65328660123866 0.09809476928177 0.00008828322313 10.811 > 5 27 B 0.15328660123866 0.09809476928177 0.50008828322313 10.811 > 5 28 B 0.65328660123866 0.09809476928177 0.50008828322313 10.811 > 5 *29 B 0.40822177060336 0.50000000000000 0.37816208298267 10.811 > 6 30 B 0.90822177060336 0.50000000000000 0.37816208298267 10.811 > 6 31 B 0.40822177060336 0.50000000000000 0.87816208298267 10.811 > 6 32 B 0.90822177060336 0.50000000000000 0.87816208298267 10.811 > 6 *33 B 0.00000000000000 0.16937536787221 0.41857091175008 10.811 > 7 34 B 0.50000000000000 0.16937536787221 0.41857091175008 10.811 > 7 35 B 0.00000000000000 0.16937536787221 0.91857091175008 10.811 > 7 36 B 0.50000000000000 0.16937536787221 0.91857091175008 10.811 > 7 37 B 0.34671339876134 0.09809476928177 0.00008828322313 10.811 > 8 38 B 0.84671339876134 0.09809476928177 0.00008828322313 10.811 > 8 39 B 0.34671339876134 0.09809476928177 0.50008828322313 10.811 > 8 40 B 0.84671339876134 0.09809476928177 0.50008828322313 10.811 > 8 *41 B 0.00000000000000 0.16900465673739 0.08074395060462 10.811 > 9 42 B 0.50000000000000 0.16900465673739 0.08074395060462 10.811 > 9 43 B 0.00000000000000 0.16900465673739 0.58074395060462 10.811 > 9 44 B 0.50000000000000 0.16900465673739 0.58074395060462 10.811 > 9 45 B 0.00000000000000 0.83062463212779 0.41857091175008 10.811 > 10 46 B 0.50000000000000 0.83062463212779 0.41857091175008 10.811 > 10 47 B 0.00000000000000 0.83062463212779 0.91857091175008 10.811 > 10 48 B 0.50000000000000 0.83062463212779 0.91857091175008 10.811 > 10 49 B 0.34671339876134 0.90190523071823 0.00008828322313 10.811 > 11 50 B 0.84671339876134 0.90190523071823 0.00008828322313 10.811 > 11 51 B 0.34671339876134 0.90190523071823 0.50008828322313 10.811 > 11 52 B 0.84671339876134 0.90190523071823 0.50008828322313 10.811 > 11 53 B 0.40844658919295 0.50000000000000 0.12132885198703 10.811 > 12 54 B 0.90844658919295 0.50000000000000 0.12132885198703 10.811 > 12 55 B 0.40844658919295 0.50000000000000 0.62132885198703 10.811 > 12 56 B 0.90844658919295 0.50000000000000 0.62132885198703 10.811 > 12 57 B 0.00000000000000 0.83099534326261 0.08074395060462 10.811 > 13 58 B 0.50000000000000 0.83099534326261 0.08074395060462 10.811 > 13 59 B 0.00000000000000 0.83099534326261 0.58074395060462 10.811 > 13 60 B 0.50000000000000 0.83099534326261 0.58074395060462 10.811 > 13 61 B 0.09177822939664 0.50000000000000 0.37816208298267 10.811 > 14 62 B 0.59177822939664 0.50000000000000 0.37816208298267 10.811 > 14 63 B 0.09177822939664 0.50000000000000 0.87816208298267 10.811 > 14 64 B 0.59177822939664 0.50000000000000 0.87816208298267 10.811 > 14 65 B 0.09155341080705 0.00000000000000 0.37132885198702 10.811 > 3 66 B 0.59155341080705 0.00000000000000 0.37132885198702 10.811 > 3 67 B 0.09155341080705 0.00000000000000 0.87132885198703 10.811 > 3 68 B 0.59155341080705 0.00000000000000 0.87132885198703 10.811 > 3 69 B 0.15328660123866 0.40190523071823 0.25008828322313 10.811 > 4 70 B 0.65328660123866 0.40190523071823 0.25008828322313 10.811 > 4 71 B 0.15328660123866 0.40190523071823 0.75008828322313 10.811 > 4 72 B 0.65328660123866 0.40190523071823 0.75008828322313 10.811 > 4 73 B 0.15328660123866 0.59809476928177 0.25008828322313 10.811 > 5 74 B 0.65328660123866 0.59809476928177 0.25008828322313 10.811 > 5 75 B 0.15328660123866 0.59809476928177 0.75008828322313 10.811 > 5 76 B 0.65328660123866 0.59809476928177 0.75008828322313 10.811 > 5 77 B 0.40822177060336 0.00000000000000 0.12816208298267 10.811 > 6 78 B 0.90822177060336 0.00000000000000 0.12816208298267 10.811 > 6 79 B 0.40822177060336 0.00000000000000 0.62816208298267 10.811 > 6 80 B 0.90822177060336 0.00000000000000 0.62816208298267 10.811 > 6 81 B 0.00000000000000 0.66937536787221 0.16857091175008 10.811 > 7 82 B 0.50000000000000 0.66937536787221 0.16857091175008 10.811 > 7 83 B 0.00000000000000 0.66937536787221 0.66857091175008 10.811 > 7 84 B 0.50000000000000 0.66937536787221 0.66857091175008 10.811 > 7 85 B 0.34671339876134 0.59809476928177 0.25008828322313 10.811 > 8 86 B 0.84671339876134 0.59809476928177 0.25008828322313 10.811 > 8 87 B 0.34671339876134 0.59809476928177 0.75008828322313 10.811 > 8 88 B 0.84671339876134 0.59809476928177 0.75008828322313 10.811 > 8 89 B 0.00000000000000 0.66900465673739 0.33074395060462 10.811 > 9 90 B 0.50000000000000 0.66900465673739 0.33074395060462 10.811 > 9 91 B 0.00000000000000 0.66900465673739 0.83074395060462 10.811 > 9 92 B 0.50000000000000 0.66900465673739 0.83074395060462 10.811 > 9 93 B 0.00000000000000 0.33062463212779 0.16857091175008 10.811 > 10 94 B 0.50000000000000 0.33062463212779 0.16857091175008 10.811 > 10 95 B 0.00000000000000 0.33062463212779 0.66857091175008 10.811 > 10 96 B 0.50000000000000 0.33062463212779 0.66857091175008 10.811 > 10 97 B 0.34671339876134 0.40190523071823 0.25008828322313 10.811 > 11 98 B 0.84671339876134 0.40190523071823 0.25008828322313 10.811 > 11 99 B 0.34671339876134 0.40190523071823 0.75008828322313 10.811 > 11 100 B 0.84671339876134 0.40190523071823 0.75008828322313 10.811 > 11 101 B 0.40844658919295 0.00000000000000 0.37132885198702 10.811 > 12 102 B 0.90844658919295 0.00000000000000 0.37132885198702 10.811 > 12 103 B 0.40844658919295 0.00000000000000 0.87132885198703 10.811 > 12 104 B 0.90844658919295 0.00000000000000 0.87132885198703 10.811 > 12 105 B 0.00000000000000 0.33099534326261 0.33074395060462 10.811 > 13 106 B 0.50000000000000 0.33099534326261 0.33074395060462 10.811 > 13 107 B 0.00000000000000 0.33099534326261 0.83074395060462 10.811 > 13 108 B 0.50000000000000 0.33099534326261 0.83074395060462 10.811 > 13 109 B 0.09177822939664 0.00000000000000 0.12816208298267 10.811 > 14 110 B 0.59177822939664 0.00000000000000 0.12816208298267 10.811 > 14 111 B 0.09177822939664 0.00000000000000 0.62816208298267 10.811 > 14 112 B 0.59177822939664 0.00000000000000 0.62816208298267 10.811 > 14 *113 C 0.17660438805915 0.50000000000000 0.49910983296424 12.011 > 15 114 C 0.67660438805915 0.50000000000000 0.49910983296424 12.011 > 15 115 C 0.17660438805915 0.50000000000000 0.99910983296424 12.011 > 15 116 C 0.67660438805915 0.50000000000000 0.99910983296424 12.011 > 15 117 C 0.32339561194085 0.50000000000000 0.49910983296424 12.011 > 16 118 C 0.82339561194085 0.50000000000000 0.49910983296424 12.011 > 16 119 C 0.32339561194085 0.50000000000000 0.99910983296424 12.011 > 16 120 C 0.82339561194085 0.50000000000000 0.99910983296424 12.011 > 16 121 C 0.17660438805915 0.00000000000000 0.24910983296424 12.011 > 15 122 C 0.67660438805915 0.00000000000000 0.24910983296424 12.011 > 15 123 C 0.17660438805915 0.00000000000000 0.74910983296424 12.011 > 15 124 C 0.67660438805915 0.00000000000000 0.74910983296424 12.011 > 15 125 C 0.32339561194085 0.00000000000000 0.24910983296424 12.011 > 16 126 C 0.82339561194085 0.00000000000000 0.24910983296424 12.011 > 16 127 C 0.32339561194085 0.00000000000000 0.74910983296424 12.011 > 16 128 C 0.82339561194085 0.00000000000000 0.74910983296424 12.011 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1929928 0.0000000 0.0000000 0.0000000 6.2306392 0.0000000 0.0000000 0.0000000 7.0681798 -------------------------- Born effective charges -------------------------- 1 Li 1.2422330 0.0000000 -0.0000000 0.0000000 1.3500419 -0.2751276 0.0000000 -0.2218912 0.8888788 2 Li 1.2422330 0.0000000 -0.0000000 0.0000000 1.3500419 0.2751276 0.0000000 0.2218912 0.8888788 3 B 0.0489933 0.0000000 -0.1671468 0.0000000 -0.1168330 0.0000000 -0.2340162 0.0000000 0.2096428 4 B 0.0180980 0.0303606 -0.0023929 0.1361961 -0.4728842 -0.0127490 0.0079689 0.0161285 -0.4044594 5 B 0.0180980 -0.0303606 -0.0023929 -0.1361961 -0.4728842 0.0127490 0.0079689 -0.0161285 -0.4044594 6 B 0.1797747 0.0000000 -0.2162477 0.0000000 0.0084256 0.0000000 -0.2873184 0.0000000 0.3509717 7 B -0.4903940 0.0000000 -0.0000000 0.0000000 0.2073796 -0.1442819 0.0000000 -0.2014102 -0.0789251 8 B 0.0180980 0.0303606 0.0023929 0.1361961 -0.4728842 0.0127490 -0.0079689 -0.0161285 -0.4044594 9 B -0.5878721 0.0000000 -0.0000000 0.0000000 0.1668571 0.2207085 0.0000000 0.2247095 -0.1132592 10 B -0.4903940 0.0000000 -0.0000000 0.0000000 0.2073796 0.1442819 0.0000000 0.2014102 -0.0789251 11 B 0.0180980 -0.0303606 0.0023929 -0.1361961 -0.4728842 -0.0127490 -0.0079689 0.0161285 -0.4044594 12 B 0.0489933 0.0000000 0.1671468 0.0000000 -0.1168330 0.0000000 0.2340162 0.0000000 0.2096428 13 B -0.5878721 0.0000000 -0.0000000 0.0000000 0.1668571 -0.2207085 0.0000000 -0.2247095 -0.1132592 14 B 0.1797747 0.0000000 0.2162477 0.0000000 0.0084256 0.0000000 0.2873184 0.0000000 0.3509717 15 C -0.4289307 0.0000000 0.0955027 0.0000000 -0.6701028 0.0000000 -0.0076745 0.0000000 -0.4483900 16 C -0.4289307 0.0000000 -0.0955027 0.0000000 -0.6701028 0.0000000 0.0076745 0.0000000 -0.4483900 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 12144/12144 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2417), data: False |-- (344, 337), data: True |-- (344, 337), data: True |-- (344, 337), data: True |-- (400, 398), data: True |-- (480, 472), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 480 - Time: 0.856 Solver_block: 200 / 480 - Time: 0.721 Solver_block: 300 / 480 - Time: 0.724 Solver_block: 400 / 480 - Time: 0.724 Solver_block: 480 / 480 - Time: 0.597 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.725 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 12144/12144 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2456 Number of blocks in projector: 2456 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 480 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2456, 2417), data: False |-- (344, 337), data: True |-- (344, 337), data: True |-- (344, 337), data: True |-- (400, 398), data: True |-- (480, 472), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:38:16]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:38:17]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Amm2 (38) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.686474719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.481250805000000 2.814992680000000 c 0.000000000000000 -4.481250805000000 2.814992680000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.88517166393012 0.47305952913036 6.941 2 Li 0.50000000000000 0.47305952913036 0.88517166393012 6.941 3 B 0.18310682161410 0.74265770397405 0.74265770397405 10.811 4 B 0.30657320247733 0.90208179716448 0.09827133572803 10.811 5 B 0.30657320247733 0.09827133572803 0.90208179716448 10.811 6 B 0.81644354120672 0.25632416596533 0.25632416596533 10.811 7 B 0.00000000000000 0.00651719137238 0.66776645562795 10.811 8 B 0.69342679752267 0.09827133572803 0.90208179716448 10.811 9 B 0.00000000000000 0.33049255794662 0.99248324447185 10.811 10 B 0.00000000000000 0.66776645562795 0.00651719137238 10.811 11 B 0.69342679752267 0.90208179716448 0.09827133572803 10.811 12 B 0.81689317838590 0.74265770397405 0.74265770397405 10.811 13 B 0.00000000000000 0.99248324447185 0.33049255794662 10.811 14 B 0.18355645879328 0.25632416596533 0.25632416596533 10.811 15 C 0.35320877611830 0.49821966592847 0.49821966592847 12.011 16 C 0.64679122388170 0.49821966592847 0.49821966592847 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.372949439999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.962501610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.259970720000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.70605606739988 0.08955779826512 6.941 > 1 2 Li 0.75000000000000 0.70605606739988 0.08955779826512 6.941 > 1 3 Li 0.25000000000000 0.70605606739988 0.58955779826512 6.941 > 1 4 Li 0.75000000000000 0.70605606739988 0.58955779826512 6.941 > 1 5 Li 0.25000000000000 0.29394393260012 0.08955779826512 6.941 > 5 6 Li 0.75000000000000 0.29394393260012 0.08955779826512 6.941 > 5 7 Li 0.25000000000000 0.29394393260012 0.58955779826512 6.941 > 5 8 Li 0.75000000000000 0.29394393260012 0.58955779826512 6.941 > 5 9 Li 0.25000000000000 0.20605606739988 0.33955779826512 6.941 > 1 10 Li 0.75000000000000 0.20605606739988 0.33955779826512 6.941 > 1 11 Li 0.25000000000000 0.20605606739988 0.83955779826512 6.941 > 1 12 Li 0.75000000000000 0.20605606739988 0.83955779826512 6.941 > 1 13 Li 0.25000000000000 0.79394393260012 0.33955779826512 6.941 > 5 14 Li 0.75000000000000 0.79394393260012 0.33955779826512 6.941 > 5 15 Li 0.25000000000000 0.79394393260012 0.83955779826512 6.941 > 5 16 Li 0.75000000000000 0.79394393260012 0.83955779826512 6.941 > 5 17 B 0.09155341080705 0.50000000000000 0.12132885198703 10.811 > 17 18 B 0.59155341080705 0.50000000000000 0.12132885198703 10.811 > 17 19 B 0.09155341080705 0.50000000000000 0.62132885198703 10.811 > 17 20 B 0.59155341080705 0.50000000000000 0.62132885198703 10.811 > 17 21 B 0.15328660123866 0.90190523071823 0.00008828322313 10.811 > 21 22 B 0.65328660123866 0.90190523071823 0.00008828322313 10.811 > 21 23 B 0.15328660123866 0.90190523071823 0.50008828322313 10.811 > 21 24 B 0.65328660123866 0.90190523071823 0.50008828322313 10.811 > 21 25 B 0.15328660123866 0.09809476928177 0.00008828322313 10.811 > 25 26 B 0.65328660123866 0.09809476928177 0.00008828322313 10.811 > 25 27 B 0.15328660123866 0.09809476928177 0.50008828322313 10.811 > 25 28 B 0.65328660123866 0.09809476928177 0.50008828322313 10.811 > 25 29 B 0.40822177060336 0.50000000000000 0.37816208298267 10.811 > 29 30 B 0.90822177060336 0.50000000000000 0.37816208298267 10.811 > 29 31 B 0.40822177060336 0.50000000000000 0.87816208298267 10.811 > 29 32 B 0.90822177060336 0.50000000000000 0.87816208298267 10.811 > 29 33 B 0.00000000000000 0.16937536787221 0.41857091175008 10.811 > 33 34 B 0.50000000000000 0.16937536787221 0.41857091175008 10.811 > 33 35 B 0.00000000000000 0.16937536787221 0.91857091175008 10.811 > 33 36 B 0.50000000000000 0.16937536787221 0.91857091175008 10.811 > 33 37 B 0.34671339876134 0.09809476928177 0.00008828322313 10.811 > 37 38 B 0.84671339876134 0.09809476928177 0.00008828322313 10.811 > 37 39 B 0.34671339876134 0.09809476928177 0.50008828322313 10.811 > 37 40 B 0.84671339876134 0.09809476928177 0.50008828322313 10.811 > 37 41 B 0.00000000000000 0.16900465673739 0.08074395060462 10.811 > 41 42 B 0.50000000000000 0.16900465673739 0.08074395060462 10.811 > 41 43 B 0.00000000000000 0.16900465673739 0.58074395060462 10.811 > 41 44 B 0.50000000000000 0.16900465673739 0.58074395060462 10.811 > 41 45 B 0.00000000000000 0.83062463212779 0.41857091175008 10.811 > 45 46 B 0.50000000000000 0.83062463212779 0.41857091175008 10.811 > 45 47 B 0.00000000000000 0.83062463212779 0.91857091175008 10.811 > 45 48 B 0.50000000000000 0.83062463212779 0.91857091175008 10.811 > 45 49 B 0.34671339876134 0.90190523071823 0.00008828322313 10.811 > 49 50 B 0.84671339876134 0.90190523071823 0.00008828322313 10.811 > 49 51 B 0.34671339876134 0.90190523071823 0.50008828322313 10.811 > 49 52 B 0.84671339876134 0.90190523071823 0.50008828322313 10.811 > 49 53 B 0.40844658919295 0.50000000000000 0.12132885198703 10.811 > 53 54 B 0.90844658919295 0.50000000000000 0.12132885198703 10.811 > 53 55 B 0.40844658919295 0.50000000000000 0.62132885198703 10.811 > 53 56 B 0.90844658919295 0.50000000000000 0.62132885198703 10.811 > 53 57 B 0.00000000000000 0.83099534326261 0.08074395060462 10.811 > 57 58 B 0.50000000000000 0.83099534326261 0.08074395060462 10.811 > 57 59 B 0.00000000000000 0.83099534326261 0.58074395060462 10.811 > 57 60 B 0.50000000000000 0.83099534326261 0.58074395060462 10.811 > 57 61 B 0.09177822939664 0.50000000000000 0.37816208298267 10.811 > 61 62 B 0.59177822939664 0.50000000000000 0.37816208298267 10.811 > 61 63 B 0.09177822939664 0.50000000000000 0.87816208298267 10.811 > 61 64 B 0.59177822939664 0.50000000000000 0.87816208298267 10.811 > 61 65 B 0.09155341080705 0.00000000000000 0.37132885198702 10.811 > 17 66 B 0.59155341080705 0.00000000000000 0.37132885198702 10.811 > 17 67 B 0.09155341080705 0.00000000000000 0.87132885198703 10.811 > 17 68 B 0.59155341080705 0.00000000000000 0.87132885198703 10.811 > 17 69 B 0.15328660123866 0.40190523071823 0.25008828322313 10.811 > 21 70 B 0.65328660123866 0.40190523071823 0.25008828322313 10.811 > 21 71 B 0.15328660123866 0.40190523071823 0.75008828322313 10.811 > 21 72 B 0.65328660123866 0.40190523071823 0.75008828322313 10.811 > 21 73 B 0.15328660123866 0.59809476928177 0.25008828322313 10.811 > 25 74 B 0.65328660123866 0.59809476928177 0.25008828322313 10.811 > 25 75 B 0.15328660123866 0.59809476928177 0.75008828322313 10.811 > 25 76 B 0.65328660123866 0.59809476928177 0.75008828322313 10.811 > 25 77 B 0.40822177060336 0.00000000000000 0.12816208298267 10.811 > 29 78 B 0.90822177060336 0.00000000000000 0.12816208298267 10.811 > 29 79 B 0.40822177060336 0.00000000000000 0.62816208298267 10.811 > 29 80 B 0.90822177060336 0.00000000000000 0.62816208298267 10.811 > 29 81 B 0.00000000000000 0.66937536787221 0.16857091175008 10.811 > 33 82 B 0.50000000000000 0.66937536787221 0.16857091175008 10.811 > 33 83 B 0.00000000000000 0.66937536787221 0.66857091175008 10.811 > 33 84 B 0.50000000000000 0.66937536787221 0.66857091175008 10.811 > 33 85 B 0.34671339876134 0.59809476928177 0.25008828322313 10.811 > 37 86 B 0.84671339876134 0.59809476928177 0.25008828322313 10.811 > 37 87 B 0.34671339876134 0.59809476928177 0.75008828322313 10.811 > 37 88 B 0.84671339876134 0.59809476928177 0.75008828322313 10.811 > 37 89 B 0.00000000000000 0.66900465673739 0.33074395060462 10.811 > 41 90 B 0.50000000000000 0.66900465673739 0.33074395060462 10.811 > 41 91 B 0.00000000000000 0.66900465673739 0.83074395060462 10.811 > 41 92 B 0.50000000000000 0.66900465673739 0.83074395060462 10.811 > 41 93 B 0.00000000000000 0.33062463212779 0.16857091175008 10.811 > 45 94 B 0.50000000000000 0.33062463212779 0.16857091175008 10.811 > 45 95 B 0.00000000000000 0.33062463212779 0.66857091175008 10.811 > 45 96 B 0.50000000000000 0.33062463212779 0.66857091175008 10.811 > 45 97 B 0.34671339876134 0.40190523071823 0.25008828322313 10.811 > 49 98 B 0.84671339876134 0.40190523071823 0.25008828322313 10.811 > 49 99 B 0.34671339876134 0.40190523071823 0.75008828322313 10.811 > 49 100 B 0.84671339876134 0.40190523071823 0.75008828322313 10.811 > 49 101 B 0.40844658919295 0.00000000000000 0.37132885198702 10.811 > 53 102 B 0.90844658919295 0.00000000000000 0.37132885198702 10.811 > 53 103 B 0.40844658919295 0.00000000000000 0.87132885198703 10.811 > 53 104 B 0.90844658919295 0.00000000000000 0.87132885198703 10.811 > 53 105 B 0.00000000000000 0.33099534326261 0.33074395060462 10.811 > 57 106 B 0.50000000000000 0.33099534326261 0.33074395060462 10.811 > 57 107 B 0.00000000000000 0.33099534326261 0.83074395060462 10.811 > 57 108 B 0.50000000000000 0.33099534326261 0.83074395060462 10.811 > 57 109 B 0.09177822939664 0.00000000000000 0.12816208298267 10.811 > 61 110 B 0.59177822939664 0.00000000000000 0.12816208298267 10.811 > 61 111 B 0.09177822939664 0.00000000000000 0.62816208298267 10.811 > 61 112 B 0.59177822939664 0.00000000000000 0.62816208298267 10.811 > 61 113 C 0.17660438805915 0.50000000000000 0.49910983296424 12.011 > 113 114 C 0.67660438805915 0.50000000000000 0.49910983296424 12.011 > 113 115 C 0.17660438805915 0.50000000000000 0.99910983296424 12.011 > 113 116 C 0.67660438805915 0.50000000000000 0.99910983296424 12.011 > 113 117 C 0.32339561194085 0.50000000000000 0.49910983296424 12.011 > 117 118 C 0.82339561194085 0.50000000000000 0.49910983296424 12.011 > 117 119 C 0.32339561194085 0.50000000000000 0.99910983296424 12.011 > 117 120 C 0.82339561194085 0.50000000000000 0.99910983296424 12.011 > 117 121 C 0.17660438805915 0.00000000000000 0.24910983296424 12.011 > 113 122 C 0.67660438805915 0.00000000000000 0.24910983296424 12.011 > 113 123 C 0.17660438805915 0.00000000000000 0.74910983296424 12.011 > 113 124 C 0.67660438805915 0.00000000000000 0.74910983296424 12.011 > 113 125 C 0.32339561194085 0.00000000000000 0.24910983296424 12.011 > 117 126 C 0.82339561194085 0.00000000000000 0.24910983296424 12.011 > 117 127 C 0.32339561194085 0.00000000000000 0.74910983296424 12.011 > 117 128 C 0.82339561194085 0.00000000000000 0.74910983296424 12.011 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 9.1929928 0.0000000 0.0000000 0.0000000 6.2306392 0.0000000 0.0000000 0.0000000 7.0681798 -------------------------- Born effective charges -------------------------- 1 Li 1.2422330 0.0000000 -0.0000000 0.0000000 1.3500419 -0.2751276 0.0000000 -0.2218912 0.8888788 2 Li 1.2422330 0.0000000 -0.0000000 0.0000000 1.3500419 0.2751276 0.0000000 0.2218912 0.8888788 3 B 0.0489933 0.0000000 -0.1671468 0.0000000 -0.1168330 0.0000000 -0.2340162 0.0000000 0.2096428 4 B 0.0180980 0.0303606 -0.0023929 0.1361961 -0.4728842 -0.0127490 0.0079689 0.0161285 -0.4044594 5 B 0.0180980 -0.0303606 -0.0023929 -0.1361961 -0.4728842 0.0127490 0.0079689 -0.0161285 -0.4044594 6 B 0.1797747 0.0000000 -0.2162477 0.0000000 0.0084256 0.0000000 -0.2873184 0.0000000 0.3509717 7 B -0.4903940 0.0000000 -0.0000000 0.0000000 0.2073796 -0.1442819 0.0000000 -0.2014102 -0.0789251 8 B 0.0180980 0.0303606 0.0023929 0.1361961 -0.4728842 0.0127490 -0.0079689 -0.0161285 -0.4044594 9 B -0.5878721 0.0000000 -0.0000000 0.0000000 0.1668571 0.2207085 0.0000000 0.2247095 -0.1132592 10 B -0.4903940 0.0000000 -0.0000000 0.0000000 0.2073796 0.1442819 0.0000000 0.2014102 -0.0789251 11 B 0.0180980 -0.0303606 0.0023929 -0.1361961 -0.4728842 -0.0127490 -0.0079689 0.0161285 -0.4044594 12 B 0.0489933 0.0000000 0.1671468 0.0000000 -0.1168330 0.0000000 0.2340162 0.0000000 0.2096428 13 B -0.5878721 0.0000000 -0.0000000 0.0000000 0.1668571 -0.2207085 0.0000000 -0.2247095 -0.1132592 14 B 0.1797747 0.0000000 0.2162477 0.0000000 0.0084256 0.0000000 0.2873184 0.0000000 0.3509717 15 C -0.4289307 0.0000000 0.0955027 0.0000000 -0.6701028 0.0000000 -0.0076745 0.0000000 -0.4483900 16 C -0.4289307 0.0000000 -0.0955027 0.0000000 -0.6701028 0.0000000 0.0076745 0.0000000 -0.4483900 ---------------------------------------------------------------------------- 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[ 17, 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[ 21, 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[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, 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[ 113, 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: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (xz) -0.00000001 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:38:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:38:46]------------------------- 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): [2 1 2] Primitive matrix: [1. 0. 0.] [ 0. 0.5 -0.5] [0. 0.5 0.5] Spacegroup: Amm2 (38) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.686474719999999 0.000000000000000 0.000000000000000 b 0.000000000000000 4.481250805000000 2.814992680000000 c 0.000000000000000 -4.481250805000000 2.814992680000000 Atomic positions (fractional): 1 Li 0.50000000000000 0.88517166393012 0.47305952913036 6.941 2 Li 0.50000000000000 0.47305952913036 0.88517166393012 6.941 3 B 0.18310682161410 0.74265770397405 0.74265770397405 10.811 4 B 0.30657320247733 0.90208179716448 0.09827133572803 10.811 5 B 0.30657320247733 0.09827133572803 0.90208179716448 10.811 6 B 0.81644354120672 0.25632416596533 0.25632416596533 10.811 7 B 0.00000000000000 0.00651719137238 0.66776645562795 10.811 8 B 0.69342679752267 0.09827133572803 0.90208179716448 10.811 9 B 0.00000000000000 0.33049255794662 0.99248324447185 10.811 10 B 0.00000000000000 0.66776645562795 0.00651719137238 10.811 11 B 0.69342679752267 0.90208179716448 0.09827133572803 10.811 12 B 0.81689317838590 0.74265770397405 0.74265770397405 10.811 13 B 0.00000000000000 0.99248324447185 0.33049255794662 10.811 14 B 0.18355645879328 0.25632416596533 0.25632416596533 10.811 15 C 0.35320877611830 0.49821966592847 0.49821966592847 12.011 16 C 0.64679122388170 0.49821966592847 0.49821966592847 12.011 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.372949439999998 0.000000000000000 0.000000000000000 b 0.000000000000000 8.962501610000000 0.000000000000000 c 0.000000000000000 0.000000000000000 11.259970720000000 Atomic positions (fractional): 1 Li 0.25000000000000 0.70605606739988 0.08955779826512 6.941 > 1 2 Li 0.75000000000000 0.70605606739988 0.08955779826512 6.941 > 1 3 Li 0.25000000000000 0.70605606739988 0.58955779826512 6.941 > 1 4 Li 0.75000000000000 0.70605606739988 0.58955779826512 6.941 > 1 5 Li 0.25000000000000 0.29394393260012 0.08955779826512 6.941 > 5 6 Li 0.75000000000000 0.29394393260012 0.08955779826512 6.941 > 5 7 Li 0.25000000000000 0.29394393260012 0.58955779826512 6.941 > 5 8 Li 0.75000000000000 0.29394393260012 0.58955779826512 6.941 > 5 9 Li 0.25000000000000 0.20605606739988 0.33955779826512 6.941 > 1 10 Li 0.75000000000000 0.20605606739988 0.33955779826512 6.941 > 1 11 Li 0.25000000000000 0.20605606739988 0.83955779826512 6.941 > 1 12 Li 0.75000000000000 0.20605606739988 0.83955779826512 6.941 > 1 13 Li 0.25000000000000 0.79394393260012 0.33955779826512 6.941 > 5 14 Li 0.75000000000000 0.79394393260012 0.33955779826512 6.941 > 5 15 Li 0.25000000000000 0.79394393260012 0.83955779826512 6.941 > 5 16 Li 0.75000000000000 0.79394393260012 0.83955779826512 6.941 > 5 17 B 0.09155341080705 0.50000000000000 0.12132885198703 10.811 > 17 18 B 0.59155341080705 0.50000000000000 0.12132885198703 10.811 > 17 19 B 0.09155341080705 0.50000000000000 0.62132885198703 10.811 > 17 20 B 0.59155341080705 0.50000000000000 0.62132885198703 10.811 > 17 21 B 0.15328660123866 0.90190523071823 0.00008828322313 10.811 > 21 22 B 0.65328660123866 0.90190523071823 0.00008828322313 10.811 > 21 23 B 0.15328660123866 0.90190523071823 0.50008828322313 10.811 > 21 24 B 0.65328660123866 0.90190523071823 0.50008828322313 10.811 > 21 25 B 0.15328660123866 0.09809476928177 0.00008828322313 10.811 > 25 26 B 0.65328660123866 0.09809476928177 0.00008828322313 10.811 > 25 27 B 0.15328660123866 0.09809476928177 0.50008828322313 10.811 > 25 28 B 0.65328660123866 0.09809476928177 0.50008828322313 10.811 > 25 29 B 0.40822177060336 0.50000000000000 0.37816208298267 10.811 > 29 30 B 0.90822177060336 0.50000000000000 0.37816208298267 10.811 > 29 31 B 0.40822177060336 0.50000000000000 0.87816208298267 10.811 > 29 32 B 0.90822177060336 0.50000000000000 0.87816208298267 10.811 > 29 33 B 0.00000000000000 0.16937536787221 0.41857091175008 10.811 > 33 34 B 0.50000000000000 0.16937536787221 0.41857091175008 10.811 > 33 35 B 0.00000000000000 0.16937536787221 0.91857091175008 10.811 > 33 36 B 0.50000000000000 0.16937536787221 0.91857091175008 10.811 > 33 37 B 0.34671339876134 0.09809476928177 0.00008828322313 10.811 > 37 38 B 0.84671339876134 0.09809476928177 0.00008828322313 10.811 > 37 39 B 0.34671339876134 0.09809476928177 0.50008828322313 10.811 > 37 40 B 0.84671339876134 0.09809476928177 0.50008828322313 10.811 > 37 41 B 0.00000000000000 0.16900465673739 0.08074395060462 10.811 > 41 42 B 0.50000000000000 0.16900465673739 0.08074395060462 10.811 > 41 43 B 0.00000000000000 0.16900465673739 0.58074395060462 10.811 > 41 44 B 0.50000000000000 0.16900465673739 0.58074395060462 10.811 > 41 45 B 0.00000000000000 0.83062463212779 0.41857091175008 10.811 > 45 46 B 0.50000000000000 0.83062463212779 0.41857091175008 10.811 > 45 47 B 0.00000000000000 0.83062463212779 0.91857091175008 10.811 > 45 48 B 0.50000000000000 0.83062463212779 0.91857091175008 10.811 > 45 49 B 0.34671339876134 0.90190523071823 0.00008828322313 10.811 > 49 50 B 0.84671339876134 0.90190523071823 0.00008828322313 10.811 > 49 51 B 0.34671339876134 0.90190523071823 0.50008828322313 10.811 > 49 52 B 0.84671339876134 0.90190523071823 0.50008828322313 10.811 > 49 53 B 0.40844658919295 0.50000000000000 0.12132885198703 10.811 > 53 54 B 0.90844658919295 0.50000000000000 0.12132885198703 10.811 > 53 55 B 0.40844658919295 0.50000000000000 0.62132885198703 10.811 > 53 56 B 0.90844658919295 0.50000000000000 0.62132885198703 10.811 > 53 57 B 0.00000000000000 0.83099534326261 0.08074395060462 10.811 > 57 58 B 0.50000000000000 0.83099534326261 0.08074395060462 10.811 > 57 59 B 0.00000000000000 0.83099534326261 0.58074395060462 10.811 > 57 60 B 0.50000000000000 0.83099534326261 0.58074395060462 10.811 > 57 61 B 0.09177822939664 0.50000000000000 0.37816208298267 10.811 > 61 62 B 0.59177822939664 0.50000000000000 0.37816208298267 10.811 > 61 63 B 0.09177822939664 0.50000000000000 0.87816208298267 10.811 > 61 64 B 0.59177822939664 0.50000000000000 0.87816208298267 10.811 > 61 65 B 0.09155341080705 0.00000000000000 0.37132885198702 10.811 > 17 66 B 0.59155341080705 0.00000000000000 0.37132885198702 10.811 > 17 67 B 0.09155341080705 0.00000000000000 0.87132885198703 10.811 > 17 68 B 0.59155341080705 0.00000000000000 0.87132885198703 10.811 > 17 69 B 0.15328660123866 0.40190523071823 0.25008828322313 10.811 > 21 70 B 0.65328660123866 0.40190523071823 0.25008828322313 10.811 > 21 71 B 0.15328660123866 0.40190523071823 0.75008828322313 10.811 > 21 72 B 0.65328660123866 0.40190523071823 0.75008828322313 10.811 > 21 73 B 0.15328660123866 0.59809476928177 0.25008828322313 10.811 > 25 74 B 0.65328660123866 0.59809476928177 0.25008828322313 10.811 > 25 75 B 0.15328660123866 0.59809476928177 0.75008828322313 10.811 > 25 76 B 0.65328660123866 0.59809476928177 0.75008828322313 10.811 > 25 77 B 0.40822177060336 0.00000000000000 0.12816208298267 10.811 > 29 78 B 0.90822177060336 0.00000000000000 0.12816208298267 10.811 > 29 79 B 0.40822177060336 0.00000000000000 0.62816208298267 10.811 > 29 80 B 0.90822177060336 0.00000000000000 0.62816208298267 10.811 > 29 81 B 0.00000000000000 0.66937536787221 0.16857091175008 10.811 > 33 82 B 0.50000000000000 0.66937536787221 0.16857091175008 10.811 > 33 83 B 0.00000000000000 0.66937536787221 0.66857091175008 10.811 > 33 84 B 0.50000000000000 0.66937536787221 0.66857091175008 10.811 > 33 85 B 0.34671339876134 0.59809476928177 0.25008828322313 10.811 > 37 86 B 0.84671339876134 0.59809476928177 0.25008828322313 10.811 > 37 87 B 0.34671339876134 0.59809476928177 0.75008828322313 10.811 > 37 88 B 0.84671339876134 0.59809476928177 0.75008828322313 10.811 > 37 89 B 0.00000000000000 0.66900465673739 0.33074395060462 10.811 > 41 90 B 0.50000000000000 0.66900465673739 0.33074395060462 10.811 > 41 91 B 0.00000000000000 0.66900465673739 0.83074395060462 10.811 > 41 92 B 0.50000000000000 0.66900465673739 0.83074395060462 10.811 > 41 93 B 0.00000000000000 0.33062463212779 0.16857091175008 10.811 > 45 94 B 0.50000000000000 0.33062463212779 0.16857091175008 10.811 > 45 95 B 0.00000000000000 0.33062463212779 0.66857091175008 10.811 > 45 96 B 0.50000000000000 0.33062463212779 0.66857091175008 10.811 > 45 97 B 0.34671339876134 0.40190523071823 0.25008828322313 10.811 > 49 98 B 0.84671339876134 0.40190523071823 0.25008828322313 10.811 > 49 99 B 0.34671339876134 0.40190523071823 0.75008828322313 10.811 > 49 100 B 0.84671339876134 0.40190523071823 0.75008828322313 10.811 > 49 101 B 0.40844658919295 0.00000000000000 0.37132885198702 10.811 > 53 102 B 0.90844658919295 0.00000000000000 0.37132885198702 10.811 > 53 103 B 0.40844658919295 0.00000000000000 0.87132885198703 10.811 > 53 104 B 0.90844658919295 0.00000000000000 0.87132885198703 10.811 > 53 105 B 0.00000000000000 0.33099534326261 0.33074395060462 10.811 > 57 106 B 0.50000000000000 0.33099534326261 0.33074395060462 10.811 > 57 107 B 0.00000000000000 0.33099534326261 0.83074395060462 10.811 > 57 108 B 0.50000000000000 0.33099534326261 0.83074395060462 10.811 > 57 109 B 0.09177822939664 0.00000000000000 0.12816208298267 10.811 > 61 110 B 0.59177822939664 0.00000000000000 0.12816208298267 10.811 > 61 111 B 0.09177822939664 0.00000000000000 0.62816208298267 10.811 > 61 112 B 0.59177822939664 0.00000000000000 0.62816208298267 10.811 > 61 113 C 0.17660438805915 0.50000000000000 0.49910983296424 12.011 > 113 114 C 0.67660438805915 0.50000000000000 0.49910983296424 12.011 > 113 115 C 0.17660438805915 0.50000000000000 0.99910983296424 12.011 > 113 116 C 0.67660438805915 0.50000000000000 0.99910983296424 12.011 > 113 117 C 0.32339561194085 0.50000000000000 0.49910983296424 12.011 > 117 118 C 0.82339561194085 0.50000000000000 0.49910983296424 12.011 > 117 119 C 0.32339561194085 0.50000000000000 0.99910983296424 12.011 > 117 120 C 0.82339561194085 0.50000000000000 0.99910983296424 12.011 > 117 121 C 0.17660438805915 0.00000000000000 0.24910983296424 12.011 > 113 122 C 0.67660438805915 0.00000000000000 0.24910983296424 12.011 > 113 123 C 0.17660438805915 0.00000000000000 0.74910983296424 12.011 > 113 124 C 0.67660438805915 0.00000000000000 0.74910983296424 12.011 > 113 125 C 0.32339561194085 0.00000000000000 0.24910983296424 12.011 > 117 126 C 0.82339561194085 0.00000000000000 0.24910983296424 12.011 > 117 127 C 0.32339561194085 0.00000000000000 0.74910983296424 12.011 > 117 128 C 0.82339561194085 0.00000000000000 0.74910983296424 12.011 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 9.1929928 0.0000000 0.0000000 0.0000000 6.2306392 0.0000000 0.0000000 0.0000000 7.0681798 -------------------------- Born effective charges -------------------------- 1 Li 1.2422330 0.0000000 -0.0000000 0.0000000 1.3500419 -0.2751276 0.0000000 -0.2218912 0.8888788 2 Li 1.2422330 0.0000000 -0.0000000 0.0000000 1.3500419 0.2751276 0.0000000 0.2218912 0.8888788 3 B 0.0489933 0.0000000 -0.1671468 0.0000000 -0.1168330 0.0000000 -0.2340162 0.0000000 0.2096428 4 B 0.0180980 0.0303606 -0.0023929 0.1361961 -0.4728842 -0.0127490 0.0079689 0.0161285 -0.4044594 5 B 0.0180980 -0.0303606 -0.0023929 -0.1361961 -0.4728842 0.0127490 0.0079689 -0.0161285 -0.4044594 6 B 0.1797747 0.0000000 -0.2162477 0.0000000 0.0084256 0.0000000 -0.2873184 0.0000000 0.3509717 7 B -0.4903940 0.0000000 -0.0000000 0.0000000 0.2073796 -0.1442819 0.0000000 -0.2014102 -0.0789251 8 B 0.0180980 0.0303606 0.0023929 0.1361961 -0.4728842 0.0127490 -0.0079689 -0.0161285 -0.4044594 9 B -0.5878721 0.0000000 -0.0000000 0.0000000 0.1668571 0.2207085 0.0000000 0.2247095 -0.1132592 10 B -0.4903940 0.0000000 -0.0000000 0.0000000 0.2073796 0.1442819 0.0000000 0.2014102 -0.0789251 11 B 0.0180980 -0.0303606 0.0023929 -0.1361961 -0.4728842 -0.0127490 -0.0079689 0.0161285 -0.4044594 12 B 0.0489933 0.0000000 0.1671468 0.0000000 -0.1168330 0.0000000 0.2340162 0.0000000 0.2096428 13 B -0.5878721 0.0000000 -0.0000000 0.0000000 0.1668571 -0.2207085 0.0000000 -0.2247095 -0.1132592 14 B 0.1797747 0.0000000 0.2162477 0.0000000 0.0084256 0.0000000 0.2873184 0.0000000 0.3509717 15 C -0.4289307 0.0000000 0.0955027 0.0000000 -0.6701028 0.0000000 -0.0076745 0.0000000 -0.4483900 16 C -0.4289307 0.0000000 -0.0955027 0.0000000 -0.6701028 0.0000000 0.0076745 0.0000000 -0.4483900 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (xxx) 0.00000004 (xxx) 0.00000004 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 11 10 10 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.85, Number of G-points: 293, Lambda: 0.24 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/186) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 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 7.984 ( 0.000 0.000 -0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 9.639 ( 0.000 0.000 0.000) 0.000 10.200 ( 0.000 0.000 0.000) 0.000 13.872 ( 0.000 0.000 0.000) 0.000 13.883 ( 0.000 0.000 -0.000) 0.000 14.401 ( 0.000 0.000 -0.000) 0.000 14.452 ( 0.000 0.000 0.000) 0.000 14.981 ( 0.000 0.000 -0.000) 0.000 15.141 ( 0.000 0.000 0.000) 0.000 15.745 ( 0.000 0.000 -0.000) 0.000 15.774 ( 0.000 0.000 0.000) 0.000 15.997 ( 0.000 0.000 0.000) 0.000 17.379 ( 0.000 0.000 0.000) 0.000 18.462 ( 0.000 0.000 -0.000) 0.000 19.526 ( 0.000 0.000 0.000) 0.000 19.529 ( 0.000 0.000 0.000) 0.000 19.536 ( 0.000 0.000 0.000) 0.000 19.770 ( 0.000 0.000 0.000) 0.000 20.587 ( 0.000 0.000 -0.000) 0.000 21.114 ( 0.000 0.000 -0.000) 0.000 21.208 ( 0.000 0.000 -0.000) 0.000 21.948 ( 0.000 0.000 0.000) 0.000 22.372 ( 0.000 0.000 0.000) 0.000 23.036 ( 0.000 0.000 0.000) 0.000 23.108 ( 0.000 0.000 -0.000) 0.000 23.217 ( 0.000 0.000 0.000) 0.000 23.470 ( 0.000 0.000 0.000) 0.000 24.019 ( 0.000 0.000 0.000) 0.000 24.217 ( 0.000 0.000 0.000) 0.000 24.442 ( 0.000 0.000 0.000) 0.000 25.069 ( 0.000 0.000 0.000) 0.000 25.756 ( 0.000 0.000 0.000) 0.000 25.796 ( 0.000 0.000 0.000) 0.000 27.018 ( 0.000 0.000 0.000) 0.000 27.716 ( 0.000 0.000 0.000) 0.000 28.116 ( 0.000 0.000 0.000) 0.000 28.448 ( 0.000 0.000 0.000) 0.000 30.025 ( 0.000 0.000 0.000) 0.000 30.436 ( 0.000 0.000 0.000) 0.000 31.331 ( 0.000 0.000 0.000) 0.000 31.362 ( 0.000 0.000 0.000) 0.000 34.841 ( 0.000 0.000 -0.000) 0.000 35.994 ( 0.000 0.000 0.000) 0.000 44.690 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/186) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 74.550 0.000 0.000) 74.550 2.007 ( 102.260 0.000 0.000) 102.260 3.001 ( 152.578 0.000 0.000) 152.578 7.990 ( 0.566 0.000 0.000) 0.566 9.630 ( -0.901 0.000 0.000) 0.901 9.821 ( 3.757 0.000 0.000) 3.757 10.170 ( -3.260 0.000 0.000) 3.260 13.727 ( -13.553 0.000 0.000) 13.553 13.953 ( 4.751 0.000 0.000) 4.751 14.217 ( -20.886 0.000 0.000) 20.886 14.451 ( 5.732 0.000 0.000) 5.732 14.990 ( -0.155 0.000 0.000) 0.155 15.286 ( 10.548 0.000 0.000) 10.548 15.700 ( -1.446 0.000 0.000) 1.446 15.825 ( 4.284 0.000 0.000) 4.284 15.985 ( -1.247 0.000 0.000) 1.247 17.484 ( 6.723 0.000 0.000) 6.723 18.456 ( 1.751 0.000 0.000) 1.751 18.775 ( -43.599 0.000 0.000) 43.599 19.433 ( -10.745 0.000 0.000) 10.745 19.713 ( -4.110 0.000 0.000) 4.110 20.014 ( 10.893 0.000 0.000) 10.893 20.337 ( -16.662 0.000 0.000) 16.662 21.157 ( 3.840 0.000 0.000) 3.840 21.422 ( 14.413 0.000 0.000) 14.413 22.002 ( 5.157 0.000 0.000) 5.157 22.373 ( 0.026 0.000 0.000) 0.026 22.914 ( -9.056 0.000 0.000) 9.056 23.054 ( -5.526 0.000 0.000) 5.526 23.224 ( -17.086 0.000 0.000) 17.086 23.439 ( 9.353 0.000 0.000) 9.353 24.027 ( 0.909 0.000 0.000) 0.909 24.185 ( -3.729 0.000 0.000) 3.729 24.499 ( 5.123 0.000 0.000) 5.123 25.154 ( 7.938 0.000 0.000) 7.938 25.784 ( -0.776 0.000 0.000) 0.776 25.799 ( 4.005 0.000 0.000) 4.005 27.167 ( 14.819 0.000 0.000) 14.819 27.632 ( -8.110 0.000 0.000) 8.110 28.107 ( -0.892 0.000 0.000) 0.892 28.457 ( 0.682 0.000 0.000) 0.682 30.046 ( 2.151 0.000 0.000) 2.151 30.395 ( -5.986 0.000 0.000) 5.986 30.784 ( -23.822 0.000 0.000) 23.822 32.008 ( 33.043 0.000 0.000) 33.043 34.795 ( -4.677 0.000 0.000) 4.677 35.973 ( -2.151 0.000 0.000) 2.151 44.702 ( 1.212 0.000 0.000) 1.212 ======================= Grid point 2 (3/186) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.885 ( 72.912 0.000 0.000) 72.912 3.942 ( 96.559 0.000 0.000) 96.559 5.867 ( 140.825 0.000 0.000) 140.825 8.006 ( 1.087 0.000 0.000) 1.087 9.606 ( -1.528 0.000 0.000) 1.528 9.943 ( 9.604 0.000 0.000) 9.604 10.063 ( -8.155 0.000 0.000) 8.155 13.333 ( -26.174 0.000 0.000) 26.174 13.725 ( -28.847 0.000 0.000) 28.847 14.054 ( 5.594 0.000 0.000) 5.594 14.665 ( 16.840 0.000 0.000) 16.840 14.965 ( -2.474 0.000 0.000) 2.474 15.494 ( 9.991 0.000 0.000) 9.991 15.700 ( 0.548 0.000 0.000) 0.548 15.944 ( -3.125 0.000 0.000) 3.125 15.989 ( 13.454 0.000 0.000) 13.454 17.456 ( -11.158 0.000 0.000) 11.158 17.895 ( -45.564 0.000 0.000) 45.564 18.639 ( 16.968 0.000 0.000) 16.968 19.116 ( -20.740 0.000 0.000) 20.740 19.659 ( -0.931 0.000 0.000) 0.931 19.698 ( -26.369 0.000 0.000) 26.369 20.408 ( 9.380 0.000 0.000) 9.380 21.240 ( 4.335 0.000 0.000) 4.335 21.649 ( 8.314 0.000 0.000) 8.314 22.122 ( 6.404 0.000 0.000) 6.404 22.369 ( -0.737 0.000 0.000) 0.737 22.664 ( -36.053 0.000 0.000) 36.053 22.736 ( -10.890 0.000 0.000) 10.890 22.902 ( -9.702 0.000 0.000) 9.702 23.711 ( 15.686 0.000 0.000) 15.686 24.026 ( -7.139 0.000 0.000) 7.139 24.082 ( -1.099 0.000 0.000) 1.099 24.614 ( 6.361 0.000 0.000) 6.361 25.343 ( 10.719 0.000 0.000) 10.719 25.789 ( 1.776 0.000 0.000) 1.776 25.878 ( 2.802 0.000 0.000) 2.802 27.418 ( -4.713 0.000 0.000) 4.713 27.606 ( 22.115 0.000 0.000) 22.115 28.081 ( -1.811 0.000 0.000) 1.811 28.461 ( -0.657 0.000 0.000) 0.657 30.104 ( 3.600 0.000 0.000) 3.600 30.111 ( -20.017 0.000 0.000) 20.017 30.548 ( -3.504 0.000 0.000) 3.504 32.615 ( 29.009 0.000 0.000) 29.009 34.664 ( -8.685 0.000 0.000) 8.685 35.916 ( -3.452 0.000 0.000) 3.452 44.735 ( 2.036 0.000 0.000) 2.036 ======================= Grid point 3 (4/186) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.265 ( 68.834 0.000 0.000) 68.834 5.727 ( 86.712 0.000 0.000) 86.712 8.032 ( 1.729 0.000 0.000) 1.729 8.288 ( 98.676 0.000 0.000) 98.676 9.575 ( -1.297 0.000 0.000) 1.297 9.830 ( -16.573 0.000 0.000) 16.573 10.312 ( 36.509 0.000 0.000) 36.509 12.782 ( -28.555 0.000 0.000) 28.555 13.121 ( -32.885 0.000 0.000) 32.885 14.182 ( 7.903 0.000 0.000) 7.903 14.889 ( -5.433 0.000 0.000) 5.433 15.081 ( 24.829 0.000 0.000) 24.829 15.650 ( 4.718 0.000 0.000) 4.718 15.709 ( 0.672 0.000 0.000) 0.672 15.862 ( -4.514 0.000 0.000) 4.514 16.314 ( 18.011 0.000 0.000) 18.011 17.073 ( -37.342 0.000 0.000) 37.342 17.126 ( -19.918 0.000 0.000) 19.918 18.658 ( -24.942 0.000 0.000) 24.942 18.982 ( 12.907 0.000 0.000) 12.907 19.223 ( -21.399 0.000 0.000) 21.399 19.736 ( 11.592 0.000 0.000) 11.592 20.543 ( 4.846 0.000 0.000) 4.846 21.318 ( 3.593 0.000 0.000) 3.593 21.688 ( -20.858 0.000 0.000) 20.858 21.867 ( -27.156 0.000 0.000) 27.156 22.200 ( -1.925 0.000 0.000) 1.925 22.326 ( -2.645 0.000 0.000) 2.645 22.553 ( -8.676 0.000 0.000) 8.676 22.725 ( -6.269 0.000 0.000) 6.269 23.763 ( -16.882 0.000 0.000) 16.882 24.007 ( 14.245 0.000 0.000) 14.245 24.135 ( 3.959 0.000 0.000) 3.959 24.741 ( 6.706 0.000 0.000) 6.706 25.545 ( 9.580 0.000 0.000) 9.580 25.856 ( 4.820 0.000 0.000) 4.820 25.857 ( -5.616 0.000 0.000) 5.616 27.360 ( 2.153 0.000 0.000) 2.153 28.039 ( -2.396 0.000 0.000) 2.396 28.137 ( 28.751 0.000 0.000) 28.751 28.418 ( -4.025 0.000 0.000) 4.025 29.755 ( -15.646 0.000 0.000) 15.646 30.178 ( 3.895 0.000 0.000) 3.895 30.517 ( -0.632 0.000 0.000) 0.632 33.115 ( 22.134 0.000 0.000) 22.134 34.470 ( -10.938 0.000 0.000) 10.938 35.847 ( -3.457 0.000 0.000) 3.457 44.777 ( 2.211 0.000 0.000) 2.211 ======================= Grid point 4 (5/186) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.517 ( 58.643 0.000 0.000) 58.643 7.270 ( 71.233 0.000 0.000) 71.233 8.080 ( 3.611 0.000 0.000) 3.611 9.261 ( 7.844 0.000 0.000) 7.844 9.400 ( -27.651 0.000 0.000) 27.651 9.619 ( 7.857 0.000 0.000) 7.857 11.629 ( 87.233 0.000 0.000) 87.233 12.298 ( -19.883 0.000 0.000) 19.883 12.482 ( -31.673 0.000 0.000) 31.673 14.355 ( 9.402 0.000 0.000) 9.402 14.757 ( -7.991 0.000 0.000) 7.991 15.527 ( 14.808 0.000 0.000) 14.808 15.563 ( -11.966 0.000 0.000) 11.966 15.788 ( 12.518 0.000 0.000) 12.518 15.876 ( 5.121 0.000 0.000) 5.121 16.507 ( -6.322 0.000 0.000) 6.322 16.508 ( -20.428 0.000 0.000) 20.428 16.876 ( 2.380 0.000 0.000) 2.380 18.165 ( -24.763 0.000 0.000) 24.763 18.888 ( -13.058 0.000 0.000) 13.058 19.083 ( -0.617 0.000 0.000) 0.617 20.140 ( 27.626 0.000 0.000) 27.626 20.596 ( -4.347 0.000 0.000) 4.347 20.745 ( -47.093 0.000 0.000) 47.093 21.376 ( 2.275 0.000 0.000) 2.275 21.804 ( -0.010 0.000 0.000) 0.010 21.926 ( -22.640 0.000 0.000) 22.640 22.343 ( 1.959 0.000 0.000) 1.959 22.407 ( -6.076 0.000 0.000) 6.076 22.708 ( 3.791 0.000 0.000) 3.791 23.418 ( -17.750 0.000 0.000) 17.750 24.214 ( 3.744 0.000 0.000) 3.744 24.244 ( 9.809 0.000 0.000) 9.809 24.874 ( 6.984 0.000 0.000) 6.984 25.683 ( -10.820 0.000 0.000) 10.820 25.702 ( 6.329 0.000 0.000) 6.329 25.955 ( 4.840 0.000 0.000) 4.840 27.505 ( 11.680 0.000 0.000) 11.680 27.994 ( -2.136 0.000 0.000) 2.136 28.289 ( -8.967 0.000 0.000) 8.967 28.658 ( 23.184 0.000 0.000) 23.184 29.514 ( -9.198 0.000 0.000) 9.198 30.247 ( 2.959 0.000 0.000) 2.959 30.511 ( -0.172 0.000 0.000) 0.172 33.464 ( 13.727 0.000 0.000) 13.727 34.261 ( -9.827 0.000 0.000) 9.827 35.789 ( -2.367 0.000 0.000) 2.367 44.816 ( 1.685 0.000 0.000) 1.685 ======================= Grid point 5 (6/186) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.416 ( 28.491 0.000 0.000) 28.491 8.204 ( 9.650 0.000 0.000) 9.650 8.428 ( 45.758 0.000 0.000) 45.758 8.826 ( -26.602 0.000 0.000) 26.602 9.114 ( -18.244 0.000 0.000) 18.244 9.751 ( 3.745 0.000 0.000) 3.745 11.986 ( -15.774 0.000 0.000) 15.774 12.039 ( -6.653 0.000 0.000) 6.653 13.055 ( 47.258 0.000 0.000) 47.258 14.508 ( 4.997 0.000 0.000) 4.997 14.590 ( -8.000 0.000 0.000) 8.000 15.350 ( -6.919 0.000 0.000) 6.919 15.623 ( 0.786 0.000 0.000) 0.786 15.977 ( 4.084 0.000 0.000) 4.084 16.146 ( 14.978 0.000 0.000) 14.978 16.250 ( -7.090 0.000 0.000) 7.090 16.289 ( -8.313 0.000 0.000) 8.313 17.004 ( 3.873 0.000 0.000) 3.873 17.774 ( -12.413 0.000 0.000) 12.413 18.713 ( -4.997 0.000 0.000) 4.997 19.046 ( -1.682 0.000 0.000) 1.682 19.871 ( -27.058 0.000 0.000) 27.058 20.646 ( 0.633 0.000 0.000) 0.633 20.708 ( 28.136 0.000 0.000) 28.136 21.362 ( -13.205 0.000 0.000) 13.205 21.467 ( -12.477 0.000 0.000) 12.477 21.801 ( -0.214 0.000 0.000) 0.214 22.326 ( -2.188 0.000 0.000) 2.188 22.368 ( 0.637 0.000 0.000) 0.637 22.838 ( 8.822 0.000 0.000) 8.822 23.105 ( -13.606 0.000 0.000) 13.606 24.267 ( 1.519 0.000 0.000) 1.519 24.376 ( 3.533 0.000 0.000) 3.533 24.995 ( 4.458 0.000 0.000) 4.458 25.496 ( -6.558 0.000 0.000) 6.558 25.787 ( 2.253 0.000 0.000) 2.253 26.025 ( 1.976 0.000 0.000) 1.976 27.762 ( 13.259 0.000 0.000) 13.259 27.963 ( -0.869 0.000 0.000) 0.869 28.078 ( -11.850 0.000 0.000) 11.850 28.989 ( 9.690 0.000 0.000) 9.690 29.391 ( -3.599 0.000 0.000) 3.599 30.287 ( 1.100 0.000 0.000) 1.100 30.509 ( -0.034 0.000 0.000) 0.034 33.644 ( 4.711 0.000 0.000) 4.711 34.118 ( -4.176 0.000 0.000) 4.176 35.758 ( -0.808 0.000 0.000) 0.808 44.839 ( 0.628 0.000 0.000) 0.628 ======================= Grid point 11 (7/186) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 0.000 58.471 62.574) 85.641 2.029 ( 0.000 28.451 95.429) 99.580 2.993 ( 0.000 44.209 138.284) 145.179 7.981 ( 0.000 -0.174 -0.299) 0.346 8.707 ( 0.000 -4.216 -1.636) 4.523 9.681 ( 0.000 -28.947 1.477) 28.984 10.237 ( 0.000 20.995 -12.013) 24.189 13.303 ( 0.000 -14.137 -35.129) 37.866 13.783 ( 0.000 -20.143 2.911) 20.353 14.485 ( 0.000 -4.388 -0.779) 4.457 14.834 ( 0.000 -14.640 29.116) 32.590 15.129 ( 0.000 3.684 0.753) 3.760 15.192 ( 0.000 6.664 5.270) 8.496 15.725 ( 0.000 14.795 -13.496) 20.026 15.782 ( 0.000 4.327 -2.142) 4.828 16.217 ( 0.000 27.694 2.891) 27.844 17.455 ( 0.000 0.916 7.700) 7.754 18.525 ( 0.000 13.730 -13.112) 18.985 19.223 ( 0.000 -5.214 -26.001) 26.519 19.329 ( 0.000 -0.928 -10.625) 10.665 19.494 ( 0.000 -0.007 -1.957) 1.957 20.119 ( 0.000 1.989 25.958) 26.034 20.754 ( 0.000 3.851 12.580) 13.157 20.999 ( 0.000 -2.383 -11.633) 11.875 21.475 ( 0.000 3.014 22.402) 22.604 21.832 ( 0.000 -10.220 -7.493) 12.673 22.414 ( 0.000 1.148 0.936) 1.481 22.798 ( 0.000 -7.509 -16.181) 17.838 23.078 ( 0.000 2.151 -3.936) 4.485 23.121 ( 0.000 9.699 -19.571) 21.842 23.556 ( 0.000 0.736 3.656) 3.730 24.021 ( 0.000 -0.370 0.529) 0.646 24.183 ( 0.000 -16.004 3.167) 16.314 24.523 ( 0.000 0.122 7.727) 7.728 25.047 ( 0.000 -0.192 -1.979) 1.988 25.736 ( 0.000 -3.093 -4.587) 5.533 25.885 ( 0.000 12.549 4.811) 13.440 27.017 ( 0.000 -0.737 -0.707) 1.021 27.703 ( 0.000 3.680 -3.932) 5.386 28.098 ( 0.000 -0.433 -2.703) 2.737 28.477 ( 0.000 0.758 2.567) 2.677 30.034 ( 0.000 0.904 0.421) 0.997 30.438 ( 0.000 1.318 -0.706) 1.496 31.314 ( 0.000 -0.988 -1.164) 1.527 31.340 ( 0.000 0.471 -2.642) 2.684 34.911 ( 0.000 -2.139 2.237) 3.095 36.026 ( 0.000 0.049 3.501) 3.502 44.685 ( 0.000 -0.174 -0.455) 0.487 ======================= Grid point 12 (8/186) ======================= q-point: ( 0.09 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 47.833 49.860 44.990) 82.451 2.812 ( 69.808 25.545 62.508) 97.123 4.213 ( 105.756 23.731 100.522) 147.825 7.990 ( 0.904 0.111 0.021) 0.911 9.201 ( 25.411 -14.693 -18.596) 34.747 9.681 ( 0.673 -25.248 0.420) 25.261 10.205 ( -2.598 21.489 -9.792) 23.757 13.329 ( 3.017 -15.511 -34.423) 37.876 13.676 ( -10.535 -16.286 2.659) 19.578 14.294 ( -17.918 -4.465 6.084) 19.442 14.802 ( -1.765 -14.658 21.457) 26.045 14.983 ( -6.964 5.244 1.848) 8.912 15.340 ( 7.490 -2.088 2.621) 8.205 15.636 ( -2.287 12.983 -9.640) 16.331 15.895 ( 7.767 5.473 0.801) 9.535 16.219 ( 1.264 29.310 6.305) 30.007 17.547 ( 5.002 1.541 5.400) 7.520 18.462 ( -0.410 6.483 -5.221) 8.334 18.707 ( -35.390 0.069 -6.927) 36.062 19.283 ( -5.787 -0.084 -9.838) 11.414 19.786 ( 12.349 -8.013 -12.873) 19.555 20.020 ( -8.440 2.770 21.074) 22.870 20.431 ( -25.529 2.882 10.029) 27.580 21.065 ( 5.293 1.359 -12.010) 13.195 21.654 ( 12.328 1.507 18.892) 22.608 21.906 ( 6.863 -8.916 -5.798) 12.657 22.405 ( -0.284 -0.173 2.450) 2.473 22.720 ( -8.805 -6.098 -15.897) 19.169 23.007 ( -6.117 3.546 -4.729) 8.506 23.051 ( -6.995 7.492 -15.600) 18.666 23.586 ( 2.383 -0.645 5.961) 6.452 24.016 ( -0.712 -1.200 -0.812) 1.614 24.169 ( -1.004 -12.524 5.648) 13.775 24.493 ( -0.948 0.478 -0.072) 1.064 25.156 ( 8.838 0.754 0.499) 8.884 25.708 ( -1.582 -4.749 -3.490) 6.102 25.941 ( 4.971 11.167 5.555) 13.426 27.147 ( 13.438 -0.320 -2.123) 13.609 27.616 ( -8.140 2.166 -3.227) 9.020 28.087 ( -0.888 -0.289 -2.189) 2.380 28.488 ( 0.991 1.067 2.624) 3.001 30.054 ( 2.104 0.927 0.350) 2.326 30.399 ( -5.891 1.228 -0.309) 6.025 30.751 ( -23.961 -0.050 -3.444) 24.207 31.989 ( 33.848 -0.460 -1.303) 33.876 34.834 ( -6.010 -0.010 2.883) 6.665 36.004 ( -2.315 0.041 3.311) 4.040 44.696 ( 1.055 -0.155 -0.618) 1.232 ======================= Grid point 13 (9/186) ======================= q-point: ( 0.18 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.414 ( 60.816 34.662 30.800) 76.476 4.382 ( 86.126 15.236 36.629) 94.823 6.498 ( 121.068 12.337 59.043) 135.262 8.017 ( 2.015 1.025 0.932) 2.446 9.470 ( 3.854 -19.650 -2.390) 20.167 9.775 ( 11.178 -13.712 -6.929) 18.999 10.141 ( -4.364 21.803 -5.452) 22.894 13.227 ( -20.134 -11.084 -11.992) 25.924 13.566 ( 5.169 -13.795 -19.167) 24.174 13.867 ( -23.903 -1.782 11.181) 26.448 14.757 ( -4.362 -5.745 -9.640) 12.040 14.907 ( 0.981 -11.691 17.233) 20.847 15.440 ( 2.677 -6.398 -10.281) 12.402 15.663 ( 3.836 13.267 -2.973) 14.127 16.078 ( 9.774 5.549 5.470) 12.500 16.291 ( 7.490 25.864 15.125) 30.884 17.487 ( -11.731 0.077 3.525) 12.249 17.964 ( -39.577 2.508 6.102) 40.123 18.630 ( 15.146 3.184 -2.988) 15.763 19.100 ( -12.105 -0.631 -1.994) 12.284 19.731 ( -20.158 0.578 2.448) 20.314 19.828 ( -10.598 2.533 11.908) 16.141 20.130 ( 0.569 -10.099 -12.619) 16.173 21.180 ( 6.033 6.237 -12.158) 14.937 21.841 ( 6.253 0.093 12.061) 13.586 22.053 ( 7.229 -7.201 -3.144) 10.677 22.383 ( -12.291 -3.758 -2.851) 13.165 22.428 ( -13.146 0.048 -6.987) 14.887 22.826 ( -12.944 5.589 -4.076) 14.677 22.866 ( -9.317 1.241 -2.656) 9.767 23.689 ( 8.322 -3.676 -0.628) 9.119 23.964 ( -6.016 -5.244 -0.956) 8.038 24.152 ( 0.003 -0.869 5.092) 5.165 24.529 ( 4.486 0.839 -8.296) 9.468 25.321 ( 7.456 0.405 -1.542) 7.624 25.714 ( 2.751 -5.294 -1.693) 6.202 26.029 ( 2.653 7.222 7.488) 10.737 27.403 ( -2.514 0.567 -2.237) 3.413 27.560 ( 18.688 -0.451 -4.268) 19.175 28.061 ( -1.799 0.113 -2.199) 2.844 28.505 ( 0.602 1.547 3.501) 3.875 30.097 ( -16.253 0.457 -1.513) 16.330 30.114 ( -0.878 1.493 -0.058) 1.733 30.528 ( -2.826 0.788 -2.598) 3.919 32.609 ( 29.529 -0.497 -0.295) 29.535 34.693 ( -8.670 0.376 2.695) 9.087 35.942 ( -3.814 0.106 2.713) 4.682 44.724 ( 1.787 -0.131 -1.067) 2.085 ======================= Grid point 14 (10/186) ======================= q-point: ( 0.27 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.624 ( 62.586 22.553 23.052) 70.406 6.027 ( 81.515 9.574 25.387) 85.912 8.031 ( 4.540 -2.324 2.079) 5.507 8.612 ( 78.103 10.259 26.401) 83.080 9.451 ( -4.249 -22.764 3.740) 23.457 9.988 ( -6.440 19.757 1.630) 20.844 10.255 ( 41.758 -4.486 0.304) 41.999 12.742 ( -25.912 -1.925 -4.375) 26.349 13.290 ( -28.677 -4.007 18.827) 34.538 13.832 ( 13.974 -7.381 -27.650) 31.847 14.649 ( -5.499 -0.820 -21.068) 21.789 15.015 ( 8.702 -24.961 13.917) 29.873 15.457 ( -0.502 -4.020 -19.932) 20.339 15.733 ( 2.261 5.752 2.460) 6.652 16.200 ( 3.154 21.410 8.153) 23.126 16.537 ( 15.033 6.791 21.058) 26.750 17.152 ( -25.142 -2.565 9.132) 26.872 17.251 ( -26.433 8.582 9.763) 29.456 18.652 ( -17.681 0.442 -2.250) 17.829 19.077 ( 9.945 0.948 8.403) 13.054 19.281 ( -20.638 7.544 1.522) 22.026 19.781 ( 6.852 -0.144 4.975) 8.469 20.165 ( 0.987 -17.403 -21.717) 27.847 21.283 ( 4.069 9.346 -11.379) 15.277 21.666 ( -40.398 -0.683 -16.901) 43.796 21.963 ( -1.898 -1.129 19.930) 20.052 22.157 ( 2.086 -4.651 -1.112) 5.218 22.343 ( -7.862 -1.421 3.340) 8.659 22.598 ( -9.473 1.489 -2.372) 9.879 22.717 ( -4.141 3.050 1.445) 5.342 23.739 ( -13.370 -5.718 0.599) 14.554 23.902 ( 9.682 -4.107 -7.837) 13.115 24.185 ( 3.000 3.873 1.236) 5.052 24.642 ( 6.504 1.311 -10.257) 12.216 25.446 ( 5.500 -2.556 -6.462) 8.862 25.805 ( 5.712 -2.253 -0.885) 6.204 26.005 ( -4.957 1.736 9.232) 10.622 27.365 ( 2.669 0.387 0.259) 2.710 27.986 ( 9.561 -2.291 -7.861) 12.588 28.044 ( 8.668 2.552 -5.069) 10.360 28.529 ( 3.697 1.268 8.036) 8.936 29.740 ( -15.564 1.240 -2.396) 15.796 30.185 ( 3.889 1.396 -0.111) 4.133 30.504 ( -0.472 0.805 -1.925) 2.139 33.117 ( 22.478 -0.469 0.521) 22.489 34.503 ( -10.528 0.264 3.433) 11.077 35.865 ( -3.854 0.186 1.855) 4.281 44.761 ( 1.944 -0.100 -1.647) 2.550 ======================= Grid point 15 (11/186) ======================= q-point: ( 0.36 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.788 ( 55.480 15.033 18.757) 60.464 7.476 ( 65.554 3.601 18.362) 68.172 8.104 ( 5.336 0.227 2.763) 6.013 9.220 ( -12.054 -13.515 3.593) 18.462 9.392 ( 2.194 1.246 2.397) 3.481 9.858 ( -1.726 17.928 11.583) 21.414 11.487 ( 55.715 -18.536 3.263) 58.808 12.353 ( -10.682 12.111 -2.991) 16.423 12.811 ( -9.346 5.633 27.237) 29.341 14.129 ( 15.608 -4.700 -23.216) 28.367 14.575 ( -1.608 -0.304 -15.461) 15.548 15.172 ( 5.118 -33.006 -6.522) 34.031 15.443 ( -0.242 -2.930 -19.625) 19.844 15.701 ( -6.917 0.296 10.267) 12.383 16.221 ( -0.923 23.007 8.195) 24.440 16.512 ( -19.237 -3.029 4.933) 20.089 16.858 ( 0.970 17.394 18.417) 25.351 17.053 ( 4.684 -1.624 18.527) 19.179 18.241 ( -21.934 2.983 4.586) 22.606 18.932 ( -13.659 5.570 2.673) 14.992 19.171 ( -1.489 2.098 6.831) 7.299 20.101 ( 13.314 -9.484 -7.952) 18.178 20.176 ( 8.660 -11.271 -17.791) 22.771 20.738 ( -45.826 -0.593 -5.639) 46.176 21.371 ( 2.750 12.443 -10.901) 16.770 21.873 ( -15.698 -7.692 6.377) 18.608 22.062 ( -4.845 7.192 11.549) 14.442 22.235 ( -1.824 -10.015 -0.040) 10.180 22.463 ( -4.629 5.210 -3.258) 7.693 22.730 ( 4.507 1.633 2.997) 5.653 23.429 ( -16.713 -1.599 2.028) 16.911 24.096 ( 9.049 -5.127 -11.148) 15.246 24.247 ( 2.912 2.795 -1.557) 4.326 24.765 ( 5.857 1.502 -11.260) 12.780 25.515 ( 0.802 -1.896 -7.223) 7.511 25.858 ( -3.142 -5.689 1.888) 6.768 25.944 ( 3.126 1.719 6.636) 7.534 27.503 ( 10.498 -0.295 -0.109) 10.503 27.965 ( -2.253 -0.699 -3.381) 4.122 28.180 ( -3.087 3.165 -10.493) 11.387 28.758 ( 17.659 -0.461 8.530) 19.616 29.503 ( -9.015 1.633 -2.266) 9.438 30.254 ( 3.013 1.805 -0.353) 3.530 30.499 ( -0.109 0.709 -1.662) 1.811 33.471 ( 13.908 -0.425 1.028) 13.952 34.304 ( -9.397 0.073 4.507) 10.422 35.801 ( -2.653 0.255 1.075) 2.874 44.795 ( 1.482 -0.072 -2.176) 2.634 ======================= Grid point 16 (12/186) ======================= q-point: ( 0.45 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.648 ( 27.634 11.718 16.583) 34.292 8.199 ( 12.655 -7.092 5.740) 15.601 8.515 ( 21.304 -10.337 8.792) 25.259 8.857 ( -8.045 7.401 4.705) 11.901 9.254 ( -14.425 11.335 3.744) 18.724 9.918 ( 4.001 7.274 17.594) 19.454 11.730 ( -6.599 -26.523 -3.463) 27.551 12.123 ( -10.018 9.018 2.419) 13.695 13.384 ( 35.239 18.885 16.348) 43.193 14.387 ( 8.905 -0.142 -14.176) 16.742 14.585 ( 1.657 0.238 0.918) 1.909 15.178 ( -2.446 -34.631 -34.879) 49.212 15.417 ( -5.005 -7.116 0.869) 8.743 15.540 ( -3.602 2.440 1.794) 4.706 16.199 ( -0.153 12.786 4.554) 13.573 16.261 ( -6.427 3.105 0.189) 7.140 16.941 ( 7.028 21.007 21.268) 30.709 17.180 ( 2.680 -3.184 20.394) 20.814 17.891 ( -11.109 5.189 8.845) 15.118 18.713 ( -8.286 -0.128 0.279) 8.292 19.123 ( -1.994 1.090 6.789) 7.159 19.842 ( -19.570 2.146 -5.600) 20.468 20.243 ( -3.931 -21.052 -22.450) 31.026 20.686 ( 25.376 -1.226 -1.903) 25.477 21.383 ( -9.627 7.703 -4.220) 13.031 21.456 ( -13.193 1.353 -1.661) 13.366 22.051 ( 0.815 5.566 17.686) 18.559 22.193 ( -1.981 -12.196 -1.076) 12.403 22.414 ( -0.937 7.157 -5.759) 9.234 22.862 ( 8.213 1.077 2.541) 8.664 23.132 ( -12.722 -0.153 2.924) 13.054 24.233 ( 4.754 -3.246 -10.058) 11.589 24.279 ( -0.035 -0.156 -4.352) 4.355 24.853 ( 2.711 1.772 -13.782) 14.158 25.483 ( -2.333 -0.252 -0.505) 2.400 25.822 ( -0.238 -8.467 1.588) 8.618 26.007 ( 1.949 2.055 2.582) 3.833 27.725 ( 10.796 -4.018 -1.269) 11.589 27.925 ( -2.197 -0.229 -6.235) 6.615 28.045 ( -7.744 6.391 -4.643) 11.062 29.041 ( 8.928 -1.077 5.533) 10.558 29.381 ( -3.661 1.896 -2.263) 4.703 30.296 ( 1.144 2.185 -0.501) 2.517 30.498 ( -0.013 0.654 -1.544) 1.676 33.653 ( 4.744 -0.381 1.208) 4.910 34.167 ( -3.971 -0.081 5.319) 6.638 35.766 ( -0.908 0.292 0.637) 1.147 44.816 ( 0.552 -0.056 -2.490) 2.551 ======================= Grid point 22 (13/186) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.479 ( 0.000 51.713 56.159) 76.342 4.003 ( 0.000 27.131 91.126) 95.079 5.854 ( 0.000 39.594 129.538) 135.454 7.968 ( 0.000 -0.466 -0.716) 0.854 8.623 ( 0.000 -6.153 -0.253) 6.158 9.195 ( 0.000 -23.668 -22.020) 32.328 10.325 ( 0.000 14.861 -0.073) 14.861 12.599 ( 0.000 -16.502 -23.108) 28.395 13.598 ( 0.000 -25.856 6.186) 26.585 14.086 ( 0.000 -10.417 -32.878) 34.488 15.062 ( 0.000 -18.472 15.645) 24.207 15.277 ( 0.000 5.957 -2.665) 6.526 15.353 ( 0.000 4.024 8.439) 9.349 15.788 ( 0.000 17.791 10.655) 20.738 15.791 ( 0.000 6.337 -1.550) 6.524 16.653 ( 0.000 28.178 4.173) 28.485 17.657 ( 0.000 2.551 12.356) 12.616 18.411 ( 0.000 6.747 -13.234) 14.855 18.691 ( 0.000 0.497 -25.561) 25.566 19.138 ( 0.000 -3.183 -8.870) 9.424 19.605 ( 0.000 5.938 11.570) 13.005 20.607 ( 0.000 -12.965 -25.520) 28.624 20.621 ( 0.000 -0.768 27.524) 27.535 20.926 ( 0.000 3.756 -2.930) 4.764 21.457 ( 0.000 -18.246 -13.552) 22.728 21.899 ( 0.000 -0.545 20.384) 20.391 22.409 ( 0.000 0.648 -2.993) 3.063 22.490 ( 0.000 -8.475 -3.565) 9.195 22.980 ( 0.000 25.275 -14.972) 29.376 23.020 ( 0.000 5.918 -7.025) 9.186 23.522 ( 0.000 -2.466 -7.165) 7.578 24.032 ( 0.000 -0.446 1.227) 1.306 24.042 ( 0.000 -26.722 8.492) 28.039 24.697 ( 0.000 1.922 9.846) 10.032 25.013 ( 0.000 -0.292 -1.035) 1.075 25.577 ( 0.000 -4.564 -7.940) 9.158 26.146 ( 0.000 14.889 6.111) 16.094 26.983 ( 0.000 -1.361 -1.843) 2.291 27.650 ( 0.000 5.042 -7.789) 9.278 28.025 ( 0.000 -2.146 -3.618) 4.207 28.545 ( 0.000 1.037 3.596) 3.743 30.061 ( 0.000 1.521 1.167) 1.917 30.435 ( 0.000 2.014 -1.880) 2.755 31.276 ( 0.000 -1.444 -1.387) 2.002 31.286 ( 0.000 0.768 -3.943) 4.017 34.931 ( 0.000 -0.383 1.532) 1.579 36.110 ( 0.000 0.114 5.521) 5.523 44.672 ( 0.000 -0.263 -0.744) 0.789 ======================= Grid point 23 (14/186) ======================= q-point: ( 0.09 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 28.600 47.490 50.347) 74.887 4.403 ( 39.218 28.360 76.880) 90.846 6.507 ( 61.792 30.104 113.720) 132.879 7.998 ( 3.062 1.029 0.782) 3.323 8.842 ( 17.899 -11.837 -6.578) 22.444 9.257 ( 6.635 -21.252 -17.692) 28.437 10.326 ( 0.332 16.512 0.231) 16.517 12.596 ( -0.225 -17.737 -24.703) 30.412 13.542 ( -5.958 -22.560 7.224) 24.426 14.007 ( -7.428 -10.243 -29.449) 32.052 14.941 ( -13.456 -7.678 11.125) 19.073 15.157 ( -6.741 -1.945 1.125) 7.105 15.291 ( -5.876 3.736 4.014) 8.037 15.790 ( 0.495 13.529 4.328) 14.213 15.965 ( 14.124 5.632 7.824) 17.101 16.709 ( 5.748 26.643 7.401) 28.243 17.701 ( 0.973 1.876 9.498) 9.730 18.394 ( -0.159 4.703 -11.056) 12.016 18.530 ( -12.768 5.490 -13.628) 19.465 19.125 ( -2.263 -3.193 -7.433) 8.400 19.593 ( -2.559 -2.390 3.393) 4.876 20.410 ( -15.263 -2.710 15.809) 22.141 20.653 ( -19.713 2.722 6.126) 20.822 20.743 ( 4.743 -3.410 -21.547) 22.325 21.606 ( 12.375 -16.067 -8.699) 22.067 21.876 ( -3.723 -2.558 3.302) 5.595 22.381 ( -1.945 -2.139 -4.440) 5.298 22.509 ( 0.828 -4.432 4.451) 6.336 22.885 ( -7.596 12.179 -13.197) 19.499 23.008 ( -3.077 12.842 -5.135) 14.169 23.545 ( 1.650 -2.010 -8.966) 9.335 23.959 ( -3.682 -11.847 2.635) 12.683 24.132 ( 5.270 -10.494 5.447) 12.945 24.551 ( -9.030 1.271 5.921) 10.872 25.208 ( 11.847 2.760 2.967) 12.521 25.556 ( -0.337 -5.115 -7.008) 8.683 26.188 ( 3.579 11.838 6.474) 13.959 27.085 ( 10.571 -1.123 -3.870) 11.313 27.565 ( -7.427 3.079 -5.738) 9.878 28.025 ( -0.326 -1.071 -3.879) 4.037 28.560 ( 1.446 1.424 3.483) 4.031 30.080 ( 1.906 1.544 0.991) 2.646 30.408 ( -5.060 1.946 -0.910) 5.497 30.671 ( -25.534 0.103 -5.241) 26.066 31.960 ( 34.724 -0.540 -1.196) 34.749 34.880 ( -4.900 0.110 2.241) 5.389 36.083 ( -2.788 0.111 5.187) 5.890 44.678 ( 0.669 -0.248 -1.010) 1.237 ======================= Grid point 24 (15/186) ======================= q-point: ( 0.18 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 44.751 39.592 39.622) 71.694 5.430 ( 63.358 22.269 53.779) 86.037 7.821 ( 42.404 2.669 40.995) 59.041 8.214 ( 40.672 16.833 37.487) 57.817 9.143 ( 10.694 -19.524 -6.944) 23.319 9.502 ( 22.124 -11.987 -4.305) 25.528 10.347 ( 2.054 19.716 3.651) 20.156 12.582 ( -2.130 -19.104 -28.438) 34.325 13.379 ( -9.357 -14.265 7.009) 18.444 13.836 ( -9.582 -10.417 -16.562) 21.787 14.611 ( -18.310 0.352 3.827) 18.710 15.054 ( -4.527 -8.147 -0.252) 9.324 15.169 ( -6.023 3.157 -2.291) 7.176 15.805 ( 1.260 6.795 2.513) 7.353 16.259 ( 14.938 5.184 12.073) 19.894 16.868 ( 10.358 21.545 14.356) 27.885 17.592 ( -11.211 1.318 7.316) 13.452 18.115 ( -23.333 7.281 1.943) 24.520 18.605 ( 11.261 5.174 -4.674) 13.245 19.050 ( -2.987 -3.347 -0.710) 4.541 19.473 ( -9.288 -11.116 -12.042) 18.837 20.089 ( -17.839 1.277 6.263) 18.949 20.174 ( -21.973 4.193 16.411) 27.743 20.932 ( 10.905 1.666 -22.160) 24.753 21.696 ( -14.059 -5.244 -18.320) 23.680 21.849 ( 9.215 -12.444 -6.969) 16.980 22.345 ( -2.094 -3.867 0.720) 4.456 22.500 ( -1.815 -0.659 11.028) 11.196 22.696 ( -11.665 3.096 -9.166) 15.155 22.921 ( -4.887 11.928 -2.563) 13.143 23.561 ( 0.214 -4.463 -9.632) 10.618 23.879 ( -5.390 -10.805 1.303) 12.145 24.221 ( 2.506 -0.447 4.016) 4.755 24.439 ( -0.897 1.941 -1.616) 2.680 25.298 ( -0.894 -1.664 -1.946) 2.712 25.654 ( 8.836 1.084 -0.550) 8.919 26.236 ( 0.056 4.415 7.622) 8.809 27.335 ( 6.897 -0.156 -6.277) 9.327 27.481 ( 7.932 0.310 -3.333) 8.610 28.007 ( -1.391 0.200 -4.114) 4.348 28.596 ( 2.331 1.859 4.018) 5.003 30.063 ( -20.536 0.848 -3.084) 20.784 30.138 ( 1.647 2.127 0.452) 2.728 30.481 ( -1.326 1.392 -3.910) 4.357 32.599 ( 30.514 -0.665 0.014) 30.522 34.755 ( -7.816 0.472 3.435) 8.551 36.008 ( -4.679 0.168 4.279) 6.343 44.696 ( 1.134 -0.212 -1.730) 2.080 ======================= Grid point 25 (16/186) ======================= q-point: ( 0.27 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.435 ( 50.560 28.684 32.080) 66.395 6.724 ( 66.717 14.169 35.019) 76.669 8.059 ( 5.192 -1.603 3.401) 6.411 9.121 ( 20.121 -6.920 10.910) 23.912 9.284 ( 8.383 -8.028 4.202) 12.344 10.215 ( 23.910 11.738 3.248) 26.833 10.571 ( 46.790 11.399 39.931) 62.560 12.467 ( -8.787 -9.928 -22.425) 26.051 13.289 ( 1.989 -12.441 -4.657) 13.432 13.619 ( -13.570 -8.962 8.712) 18.449 14.322 ( -8.310 2.075 -9.228) 12.591 14.909 ( -11.144 -10.261 -13.650) 20.391 15.128 ( 2.085 0.366 -2.215) 3.064 15.838 ( 1.910 1.158 3.660) 4.288 16.494 ( 7.942 8.207 11.902) 16.495 17.080 ( 8.118 12.427 21.017) 25.731 17.354 ( -11.236 -1.532 14.349) 18.289 17.602 ( -25.939 14.452 14.264) 32.941 18.586 ( -11.523 -1.631 -3.914) 12.278 19.169 ( 7.311 -1.917 -2.129) 7.852 19.318 ( -2.585 -0.321 -10.678) 10.991 19.716 ( -16.610 -4.346 1.188) 17.210 19.925 ( -4.601 -0.634 8.320) 9.528 21.130 ( 8.993 8.425 -18.351) 22.104 21.256 ( -31.205 -2.320 -24.934) 40.010 21.956 ( 0.987 -13.137 -3.609) 13.659 22.264 ( -8.140 -4.591 4.942) 10.572 22.404 ( -8.015 -0.163 -3.462) 8.732 22.528 ( -3.038 1.706 7.322) 8.109 22.844 ( -2.404 8.599 1.924) 9.134 23.582 ( 1.711 -7.559 -12.286) 14.526 23.730 ( -9.100 -7.196 -1.072) 11.651 24.204 ( -2.825 -0.371 -1.803) 3.372 24.520 ( 6.964 8.715 -7.217) 13.286 25.293 ( 1.570 -7.928 -4.595) 9.297 25.789 ( 3.404 4.207 -1.349) 5.577 26.183 ( -4.013 -1.237 10.307) 11.130 27.372 ( 3.591 0.716 -0.549) 3.703 27.789 ( 12.075 -2.086 -9.681) 15.616 27.997 ( 2.276 2.888 -4.676) 5.949 28.674 ( 6.918 1.162 6.301) 9.429 29.699 ( -15.249 1.767 -3.957) 15.853 30.204 ( 3.695 2.169 -0.061) 4.285 30.471 ( -0.128 1.355 -3.078) 3.365 33.124 ( 23.248 -0.675 1.057) 23.282 34.586 ( -9.312 0.389 5.049) 10.599 35.913 ( -4.855 0.276 2.985) 5.706 44.720 ( 1.237 -0.167 -2.676) 2.953 ======================= Grid point 26 (17/186) ======================= q-point: ( 0.36 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.404 ( 47.352 18.607 26.134) 57.196 7.861 ( 42.456 0.559 18.006) 46.120 8.199 ( 14.386 2.120 7.258) 16.252 9.146 ( -7.102 -12.793 6.456) 15.993 9.474 ( 4.787 3.300 2.530) 6.341 10.349 ( 5.974 19.923 15.703) 26.062 11.501 ( 16.711 -12.503 19.591) 28.625 12.458 ( 7.945 15.265 -3.826) 17.629 13.337 ( 6.974 -5.181 23.096) 24.676 13.537 ( 12.397 -13.542 -22.847) 29.310 14.364 ( 12.077 -0.563 -3.570) 12.606 14.646 ( -15.283 -10.455 -22.761) 29.342 15.195 ( 3.737 -2.400 -4.466) 6.298 15.871 ( 0.932 -1.076 8.705) 8.820 16.533 ( -4.357 5.170 11.682) 13.497 16.788 ( -27.343 10.022 19.748) 35.186 17.298 ( 2.175 4.182 15.811) 16.498 17.473 ( 8.652 11.297 20.661) 25.087 18.337 ( -12.187 2.014 3.176) 12.754 19.092 ( -12.198 12.750 -2.365) 17.803 19.270 ( -4.478 -9.715 2.260) 10.933 19.491 ( -8.477 -14.562 -14.572) 22.277 20.101 ( 18.983 -3.244 0.339) 19.262 20.545 ( -36.456 1.589 -16.265) 39.951 21.279 ( 6.044 12.989 -15.161) 20.859 21.853 ( -14.000 -11.847 4.034) 18.778 22.058 ( -7.584 -8.099 -3.412) 11.608 22.310 ( -2.622 1.637 -6.997) 7.649 22.483 ( -2.580 3.844 10.733) 11.689 22.853 ( 3.332 4.999 4.904) 7.755 23.441 ( -13.592 -3.234 1.941) 14.105 23.733 ( 7.223 -7.775 -19.834) 22.495 24.143 ( -3.563 -4.685 -9.967) 11.575 24.649 ( 5.609 12.456 -8.158) 15.911 25.361 ( 4.911 -9.136 -4.470) 11.294 25.755 ( -5.872 -3.892 -2.543) 7.490 26.155 ( 1.245 2.597 11.374) 11.733 27.488 ( 7.578 -0.112 -1.652) 7.757 27.838 ( -2.488 -2.483 -8.080) 8.812 28.078 ( 1.819 5.557 -6.244) 8.555 28.891 ( 14.145 -0.550 6.584) 15.611 29.472 ( -8.482 2.305 -3.577) 9.490 30.271 ( 2.970 2.639 -0.692) 4.033 30.470 ( 0.043 1.241 -2.722) 2.992 33.490 ( 14.328 -0.621 1.738) 14.447 34.410 ( -8.235 0.121 6.889) 10.737 35.830 ( -3.407 0.386 1.736) 3.843 44.742 ( 0.944 -0.124 -3.545) 3.671 ======================= Grid point 27 (18/186) ======================= q-point: ( 0.45 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.145 ( 23.732 12.519 20.385) 33.697 8.245 ( 14.331 -9.842 8.796) 19.483 8.534 ( -3.741 -13.752 12.139) 18.721 9.059 ( 5.838 12.771 2.621) 14.285 9.444 ( -5.625 8.303 5.939) 11.656 10.582 ( 14.850 20.024 34.949) 42.930 11.431 ( -11.213 -20.470 2.554) 23.480 12.334 ( -10.899 13.983 6.604) 18.919 13.788 ( 19.864 3.242 8.455) 21.831 13.875 ( 19.782 -19.169 -35.370) 44.831 14.284 ( -18.519 -10.950 -29.021) 36.126 14.736 ( 16.363 1.838 18.044) 24.428 15.248 ( 1.526 -1.807 -5.646) 6.121 15.832 ( -4.439 0.896 20.980) 21.463 16.332 ( -7.224 7.772 4.415) 11.493 16.513 ( -4.763 6.701 15.450) 17.501 17.427 ( 10.062 11.381 15.056) 21.388 17.577 ( -1.237 6.552 18.511) 19.675 18.175 ( -3.150 6.419 15.851) 17.390 18.727 ( -18.648 -0.518 1.922) 18.754 19.234 ( -1.620 -3.490 2.247) 4.456 19.426 ( 3.333 -20.737 -26.174) 33.559 19.862 ( -20.898 3.612 -7.611) 22.532 20.608 ( 19.198 -3.109 -4.154) 19.886 21.359 ( 1.901 16.360 -13.367) 21.212 21.499 ( -16.763 -6.544 10.537) 20.853 21.988 ( -1.392 -12.692 -4.358) 13.492 22.278 ( -0.811 1.198 -13.151) 13.231 22.440 ( -1.341 5.989 12.591) 14.007 22.957 ( 6.684 3.343 4.682) 8.819 23.190 ( -10.853 -0.583 3.602) 11.450 23.884 ( 6.928 -5.118 -21.323) 22.997 24.060 ( -4.638 -10.550 -15.452) 19.276 24.724 ( 2.033 13.658 -8.539) 16.236 25.462 ( 4.762 -4.373 -1.049) 6.550 25.629 ( -5.663 -13.503 -3.520) 15.060 26.187 ( 1.220 5.490 9.775) 11.277 27.639 ( 7.409 -2.250 -4.493) 8.952 27.764 ( -4.999 -1.438 -8.861) 10.275 28.067 ( -1.301 6.953 -2.218) 7.413 29.127 ( 8.039 -1.498 5.239) 9.711 29.355 ( -3.842 2.667 -3.445) 5.809 30.312 ( 1.163 3.072 -1.113) 3.469 30.471 ( 0.045 1.210 -2.552) 2.825 33.676 ( 4.830 -0.546 1.984) 5.250 34.291 ( -3.446 -0.121 8.221) 8.915 35.785 ( -1.177 0.450 1.002) 1.610 44.755 ( 0.352 -0.099 -4.061) 4.078 ======================= Grid point 33 (19/186) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.893 ( 0.000 39.161 44.132) 59.002 5.818 ( 0.000 23.334 78.740) 82.125 7.946 ( 0.000 -0.586 -0.882) 1.059 8.365 ( 0.000 28.586 100.316) 104.310 8.468 ( 0.000 -17.434 -26.302) 31.555 8.613 ( 0.000 -4.078 7.699) 8.712 10.605 ( 0.000 9.519 19.258) 21.482 12.124 ( 0.000 -8.358 -14.881) 17.067 13.116 ( 0.000 -12.782 -50.215) 51.816 13.538 ( 0.000 -25.000 9.934) 26.902 14.991 ( 0.000 -13.994 -0.592) 14.007 15.092 ( 0.000 12.696 -24.041) 27.188 15.522 ( 0.000 7.635 0.185) 7.638 15.976 ( 0.000 7.574 14.358) 16.233 16.476 ( 0.000 10.318 42.049) 43.296 16.794 ( 0.000 7.127 -11.942) 13.907 17.930 ( 0.000 3.581 14.031) 14.481 18.108 ( 0.000 1.632 -22.919) 22.977 18.560 ( 0.000 15.652 -1.693) 15.743 18.945 ( 0.000 -6.631 -6.649) 9.390 19.766 ( 0.000 -30.764 -38.467) 49.255 19.970 ( 0.000 6.588 15.747) 17.069 20.540 ( 0.000 0.568 -28.056) 28.062 21.082 ( 0.000 -10.855 -9.171) 14.211 21.186 ( 0.000 -0.560 28.166) 28.171 22.120 ( 0.000 -0.809 4.728) 4.796 22.368 ( 0.000 2.103 -1.510) 2.589 22.480 ( 0.000 -5.111 4.373) 6.727 23.003 ( 0.000 5.996 -2.303) 6.423 23.127 ( 0.000 27.103 -4.119) 27.414 23.270 ( 0.000 -2.103 -14.782) 14.931 23.901 ( 0.000 -28.324 10.392) 30.170 24.057 ( 0.000 -0.184 2.050) 2.058 24.897 ( 0.000 2.923 9.133) 9.589 25.005 ( 0.000 -0.931 0.208) 0.954 25.376 ( 0.000 -3.931 -8.363) 9.240 26.403 ( 0.000 11.997 5.369) 13.144 26.922 ( 0.000 -2.150 -2.630) 3.397 27.540 ( 0.000 4.039 -9.905) 10.697 27.930 ( 0.000 -2.691 -3.823) 4.675 28.617 ( 0.000 0.923 3.059) 3.196 30.109 ( 0.000 1.645 2.286) 2.816 30.410 ( 0.000 1.806 -3.359) 3.813 31.226 ( 0.000 0.775 -3.557) 3.640 31.241 ( 0.000 -1.237 -0.697) 1.420 34.953 ( 0.000 0.115 1.035) 1.041 36.212 ( 0.000 0.153 5.361) 5.363 44.655 ( 0.000 -0.259 -0.742) 0.786 ======================= Grid point 34 (20/186) ======================= q-point: ( 0.09 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.073 ( 18.450 36.724 41.720) 58.563 6.046 ( 22.835 24.320 71.407) 78.815 7.933 ( 0.835 -0.929 4.162) 4.345 8.477 ( 7.007 -9.776 -1.988) 12.191 8.642 ( 18.439 0.696 17.971) 25.757 8.992 ( 36.645 11.092 47.138) 60.728 10.641 ( 4.468 10.452 22.224) 24.962 12.086 ( -3.833 -9.047 -15.840) 18.640 13.130 ( 1.937 -12.342 -44.334) 46.060 13.511 ( -2.894 -22.623 11.487) 25.536 14.793 ( -14.053 -1.432 -15.136) 20.704 15.147 ( -0.348 0.590 -3.306) 3.376 15.461 ( -5.975 6.634 0.800) 8.964 15.967 ( -2.173 8.636 10.195) 13.537 16.508 ( 5.833 6.457 35.836) 36.877 16.909 ( 10.070 8.114 -5.705) 14.134 17.880 ( -5.693 1.758 3.483) 6.901 18.158 ( 3.764 3.779 -12.303) 13.410 18.538 ( 0.234 14.859 0.292) 14.864 18.937 ( -0.916 -7.017 -6.456) 9.579 19.658 ( -11.057 -16.254 -11.110) 22.581 20.057 ( 6.480 -8.664 -15.008) 18.501 20.451 ( -7.006 4.746 -19.193) 20.975 20.769 ( -18.678 -6.157 5.668) 20.467 21.463 ( 14.483 -5.285 9.753) 18.243 21.905 ( -21.591 -2.049 6.014) 22.506 22.284 ( -3.081 1.079 -5.546) 6.436 22.598 ( 6.802 -0.789 3.681) 7.774 22.811 ( -13.170 6.508 -7.261) 16.386 23.085 ( -6.261 9.236 -8.596) 14.085 23.325 ( 3.689 5.513 -8.496) 10.779 23.862 ( -3.567 -18.788 6.201) 20.104 24.136 ( 7.258 -3.548 3.743) 8.904 24.704 ( -10.450 1.165 8.506) 13.525 25.280 ( 1.768 -0.109 -1.219) 2.151 25.393 ( 15.628 -0.975 -2.570) 15.868 26.407 ( -0.010 9.038 4.604) 10.143 26.988 ( 6.986 -2.069 -4.731) 8.687 27.489 ( -4.009 3.042 -6.224) 8.004 27.931 ( -0.141 -1.767 -4.698) 5.021 28.632 ( 1.556 1.167 2.824) 3.429 30.124 ( 1.444 1.608 2.013) 2.953 30.403 ( -2.124 1.823 -2.288) 3.614 30.581 ( -29.235 0.221 -4.596) 29.595 31.937 ( 35.809 -0.467 -0.710) 35.819 34.916 ( -3.711 0.259 1.539) 4.025 36.178 ( -3.360 0.152 5.068) 6.082 44.657 ( 0.190 -0.246 -1.010) 1.057 ======================= Grid point 35 (21/186) ======================= q-point: ( 0.18 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.583 ( 32.822 31.197 35.418) 57.489 6.663 ( 39.272 21.474 53.593) 69.825 7.991 ( 4.694 -1.823 2.138) 5.471 8.695 ( 14.759 -15.072 -7.538) 22.401 9.008 ( 18.136 -3.842 0.799) 18.555 9.846 ( 42.846 13.538 34.273) 56.513 10.865 ( 23.538 13.530 38.912) 47.448 11.984 ( -6.415 -10.198 -18.708) 22.252 13.202 ( 4.125 -13.084 -24.773) 28.318 13.436 ( -2.749 -13.709 11.866) 18.339 14.520 ( -13.333 -0.120 -16.164) 20.953 15.015 ( -13.688 -0.150 5.719) 14.836 15.321 ( -7.487 5.770 2.238) 9.713 15.910 ( -1.921 4.579 7.123) 8.683 16.709 ( 12.773 4.761 30.001) 32.952 17.137 ( 12.854 6.640 -1.221) 14.519 17.731 ( -8.566 1.905 2.245) 9.058 18.154 ( -4.293 8.812 -4.465) 10.771 18.613 ( 2.203 6.083 -1.680) 6.685 18.963 ( 7.696 -5.118 -2.450) 9.561 19.312 ( -23.799 -8.584 0.214) 25.300 20.063 ( -7.999 -5.750 -15.861) 18.671 20.383 ( -16.048 -0.816 1.543) 16.143 20.468 ( 6.178 -2.006 -15.868) 17.146 21.390 ( -28.210 -1.814 -7.471) 29.239 21.691 ( 7.893 -6.284 3.084) 10.550 22.231 ( -3.384 1.696 -9.026) 9.787 22.566 ( -11.840 -1.402 -4.871) 12.879 22.707 ( 3.532 0.648 5.841) 6.856 22.952 ( -5.886 6.426 -10.580) 13.706 23.350 ( -1.159 1.340 -4.819) 5.135 23.780 ( -5.004 -13.364 2.946) 14.571 24.293 ( 6.777 2.084 2.836) 7.636 24.501 ( -9.281 1.764 4.846) 10.617 25.174 ( -6.428 -5.843 -6.425) 10.804 25.751 ( 13.569 7.244 4.984) 16.169 26.384 ( -2.381 1.278 5.472) 6.103 27.181 ( 10.831 -1.612 -9.399) 14.431 27.465 ( 4.090 1.692 0.071) 4.427 27.920 ( -0.750 -0.192 -5.647) 5.699 28.677 ( 3.154 1.409 2.841) 4.473 30.012 ( -22.482 0.721 -3.413) 22.751 30.176 ( 1.780 2.073 1.148) 2.964 30.425 ( -0.060 1.473 -4.035) 4.296 32.596 ( 31.488 -0.570 0.386) 31.495 34.817 ( -6.376 0.420 2.780) 6.968 36.088 ( -5.686 0.180 4.237) 7.093 44.662 ( 0.322 -0.214 -1.734) 1.777 ======================= Grid point 36 (22/186) ======================= q-point: ( 0.27 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.292 ( 38.995 23.244 29.486) 54.133 7.476 ( 40.948 11.191 29.485) 51.685 8.110 ( 8.091 -0.073 3.225) 8.710 9.006 ( 15.889 -12.820 2.656) 20.588 9.320 ( 13.909 -2.063 1.464) 14.137 10.401 ( 17.320 9.722 3.888) 20.239 11.637 ( 42.300 14.506 41.011) 60.676 11.875 ( 2.276 -9.824 -21.828) 24.045 13.154 ( -6.419 -12.316 -2.981) 14.205 13.556 ( 10.340 -5.033 12.214) 16.776 14.318 ( -3.778 -1.069 -6.180) 7.322 14.641 ( -22.848 -0.005 0.491) 22.853 15.210 ( -3.391 4.780 2.655) 6.434 15.924 ( 3.280 -0.641 9.163) 9.753 16.908 ( 5.363 7.194 24.296) 25.900 17.375 ( 10.049 1.751 3.422) 10.759 17.595 ( -5.223 2.413 8.717) 10.445 18.001 ( -12.365 13.305 10.521) 20.991 18.491 ( -10.572 -2.249 -3.904) 11.492 18.844 ( -17.191 -10.358 -11.700) 23.231 19.297 ( 19.104 0.278 4.585) 19.648 19.825 ( -16.343 4.378 -0.294) 16.922 20.048 ( -12.957 -2.639 5.824) 14.449 20.649 ( -3.422 -4.063 -32.604) 33.034 20.899 ( -11.341 1.443 -16.955) 20.449 21.779 ( 1.379 -7.734 -1.335) 7.969 22.122 ( -8.564 -0.171 -10.971) 13.919 22.346 ( -10.682 -3.955 0.672) 11.411 22.691 ( -4.831 1.981 -5.095) 7.296 22.920 ( 2.453 3.736 1.381) 4.678 23.314 ( -1.220 -2.570 -4.458) 5.288 23.650 ( -8.742 -8.888 1.261) 12.531 24.181 ( -13.695 -0.985 1.518) 13.814 24.541 ( 8.462 11.990 -5.336) 15.616 25.096 ( -0.764 -11.640 -4.951) 12.672 25.851 ( -2.868 6.016 1.017) 6.742 26.357 ( 0.745 -0.796 11.269) 11.321 27.327 ( 5.277 0.633 -6.797) 8.628 27.639 ( 8.072 -2.621 -2.950) 8.985 27.937 ( 4.214 3.048 -5.688) 7.707 28.773 ( 7.531 0.792 3.709) 8.433 29.646 ( -14.714 1.524 -3.951) 15.311 30.230 ( 3.056 2.031 0.314) 3.682 30.428 ( 0.261 1.410 -3.358) 3.651 33.138 ( 24.027 -0.591 1.262) 24.067 34.678 ( -7.649 0.361 4.514) 8.889 35.971 ( -6.062 0.257 3.011) 6.773 44.669 ( 0.349 -0.173 -2.690) 2.718 ======================= Grid point 37 (23/186) ======================= q-point: ( 0.36 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.037 ( 35.732 13.845 23.084) 44.737 8.048 ( 15.432 -5.188 7.127) 17.773 8.379 ( 19.279 1.875 6.602) 20.464 9.250 ( 8.196 -1.854 16.624) 18.627 9.555 ( 9.739 1.621 4.273) 10.758 10.698 ( 16.086 5.212 6.953) 18.283 11.720 ( -2.421 5.164 -5.138) 7.676 12.493 ( 21.993 0.678 5.614) 22.708 13.142 ( 6.519 -1.524 -16.516) 17.822 13.494 ( -11.790 -10.394 12.172) 19.880 14.166 ( -19.876 -3.194 -13.655) 24.325 14.677 ( 32.855 1.443 28.380) 43.439 15.195 ( 2.156 4.557 2.365) 5.568 16.031 ( 7.348 -1.441 13.804) 15.704 16.876 ( -8.487 4.476 19.520) 21.751 17.225 ( -26.669 10.996 12.454) 31.421 17.588 ( 7.504 -3.805 17.666) 19.567 17.875 ( 2.144 11.977 7.654) 14.375 18.418 ( 3.701 2.149 2.177) 4.801 18.644 ( -5.033 -15.921 -20.852) 26.714 19.375 ( -22.239 1.106 8.158) 23.714 19.484 ( -11.283 4.268 5.439) 13.233 20.054 ( 6.160 -2.767 -3.158) 7.455 20.216 ( -15.803 -0.044 -20.039) 25.521 21.067 ( 13.087 6.087 -22.355) 26.609 21.760 ( -3.199 -9.986 -1.117) 10.545 21.912 ( -11.412 -4.604 -4.613) 13.141 22.147 ( -10.184 -1.849 -5.854) 11.891 22.588 ( -4.808 1.597 -11.806) 12.847 22.990 ( 4.112 3.466 6.606) 8.519 23.334 ( 3.058 -4.178 -7.524) 9.134 23.454 ( -10.216 -4.455 0.610) 11.162 23.909 ( -13.522 -3.949 -7.805) 16.104 24.684 ( 5.662 15.258 -7.637) 17.977 25.148 ( 5.471 -15.341 -3.026) 16.566 25.715 ( -9.083 -0.360 0.126) 9.091 26.400 ( 2.809 3.347 12.704) 13.434 27.422 ( 4.593 1.335 -7.426) 8.833 27.676 ( -1.977 -4.065 -4.670) 6.500 28.055 ( 5.011 4.987 -3.606) 7.936 28.976 ( 12.333 -0.431 3.661) 12.872 29.433 ( -7.713 1.950 -3.375) 8.642 30.286 ( 2.498 2.238 -0.714) 3.429 30.434 ( 0.296 1.392 -2.927) 3.255 33.516 ( 14.759 -0.542 1.817) 14.880 34.534 ( -6.731 0.124 6.435) 9.313 35.867 ( -4.369 0.356 1.752) 4.721 44.675 ( 0.265 -0.134 -3.574) 3.587 ======================= Grid point 38 (24/186) ======================= q-point: ( 0.45 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.562 ( 14.975 6.730 13.787) 21.439 8.276 ( 10.337 -10.907 8.238) 17.137 8.600 ( 1.309 -8.576 6.238) 10.686 9.347 ( 2.839 15.615 15.089) 21.899 9.643 ( -0.059 3.627 8.601) 9.334 11.054 ( 16.668 -9.048 5.039) 19.623 11.703 ( -0.710 22.931 23.736) 33.011 12.603 ( -3.404 9.509 0.415) 10.108 12.971 ( -11.784 -13.829 -27.374) 32.855 13.620 ( 7.607 -12.821 -19.466) 24.518 13.927 ( -1.266 -5.591 -3.583) 6.761 15.174 ( 11.440 0.956 8.937) 14.548 15.329 ( 7.955 5.968 28.934) 30.595 16.158 ( 3.090 0.495 13.655) 14.009 16.649 ( -5.173 8.205 19.487) 21.767 16.859 ( -10.497 6.821 13.986) 18.770 17.787 ( 12.329 1.943 17.053) 21.133 17.907 ( -0.148 15.020 5.846) 16.119 18.564 ( 2.875 -6.360 0.639) 7.009 18.584 ( 1.130 -15.197 -5.161) 16.089 18.827 ( -24.018 3.221 2.165) 24.329 19.260 ( -9.306 -3.604 -1.172) 10.048 19.788 ( -9.635 7.099 -8.032) 14.414 20.474 ( 13.596 -5.738 -5.384) 15.709 21.273 ( 6.823 14.112 -16.423) 22.702 21.651 ( -6.088 -8.170 12.029) 15.764 21.751 ( -4.558 -9.753 -6.075) 12.362 21.980 ( -5.303 -1.878 -18.197) 19.046 22.521 ( -1.840 1.701 -13.671) 13.899 23.079 ( 5.074 3.071 4.943) 7.721 23.244 ( -8.147 -0.802 3.576) 8.933 23.468 ( 7.679 -4.664 -14.317) 16.903 23.672 ( -10.612 -7.879 -11.693) 17.647 24.756 ( 1.823 14.358 -8.287) 16.678 25.271 ( 5.678 -17.130 -2.436) 18.210 25.550 ( -6.639 -1.175 0.850) 6.796 26.443 ( 1.242 5.086 12.114) 13.197 27.499 ( 2.902 2.560 -11.821) 12.438 27.624 ( -2.476 -5.136 -2.244) 6.127 28.107 ( 0.968 5.269 -1.161) 5.481 29.185 ( 7.805 -0.988 2.858) 8.370 29.323 ( -4.166 2.039 -2.862) 5.450 30.321 ( 0.980 2.430 -1.420) 2.980 30.439 ( 0.157 1.472 -2.696) 3.076 33.707 ( 4.929 -0.463 2.010) 5.343 34.437 ( -2.798 -0.111 7.804) 8.291 35.809 ( -1.531 0.424 0.971) 1.862 44.678 ( 0.098 -0.111 -4.102) 4.105 ======================= Grid point 44 (25/186) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.846 ( 0.000 20.020 23.849) 31.138 7.127 ( 0.000 11.149 39.739) 41.273 7.849 ( 0.000 -8.812 -19.034) 20.975 7.937 ( 0.000 0.354 0.346) 0.495 8.948 ( 0.000 5.280 33.648) 34.060 9.850 ( 0.000 10.009 34.042) 35.483 11.334 ( 0.000 -3.386 43.581) 43.713 11.957 ( 0.000 -14.348 -58.271) 60.012 11.976 ( 0.000 14.444 7.072) 16.082 13.523 ( 0.000 -16.328 12.007) 20.267 14.807 ( 0.000 -7.957 -4.467) 9.126 14.815 ( 0.000 9.910 -19.467) 21.844 15.569 ( 0.000 12.379 -5.812) 13.675 16.153 ( 0.000 0.251 -17.374) 17.376 16.685 ( 0.000 -0.296 14.457) 14.460 17.372 ( 0.000 10.896 41.814) 43.210 17.726 ( 0.000 2.279 -22.144) 22.261 18.228 ( 0.000 1.525 16.787) 16.856 18.666 ( 0.000 -15.125 -19.349) 24.560 18.759 ( 0.000 -9.031 -3.987) 9.871 18.871 ( 0.000 -2.388 -6.542) 6.964 19.635 ( 0.000 -4.771 -42.669) 42.934 20.606 ( 0.000 10.872 17.068) 20.236 20.872 ( 0.000 -5.513 -4.552) 7.150 21.660 ( 0.000 -1.775 25.600) 25.662 22.109 ( 0.000 2.566 -4.260) 4.973 22.387 ( 0.000 -0.269 -10.254) 10.258 22.396 ( 0.000 -1.003 2.508) 2.701 22.768 ( 0.000 -6.728 -18.443) 19.632 23.296 ( 0.000 6.396 7.958) 10.210 23.355 ( 0.000 22.245 -2.948) 22.440 23.784 ( 0.000 -23.804 9.283) 25.550 24.102 ( 0.000 0.322 2.784) 2.803 24.955 ( 0.000 -2.547 -4.084) 4.813 25.065 ( 0.000 2.404 5.796) 6.275 25.247 ( 0.000 -1.030 -2.160) 2.393 26.586 ( 0.000 6.494 3.013) 7.159 26.856 ( 0.000 -1.595 -1.882) 2.467 27.411 ( 0.000 2.005 -7.533) 7.796 27.842 ( 0.000 -2.031 -2.684) 3.366 28.668 ( 0.000 0.541 1.663) 1.749 30.176 ( 0.000 1.166 3.273) 3.474 30.357 ( 0.000 0.917 -4.116) 4.217 31.183 ( 0.000 0.483 -2.016) 2.073 31.224 ( 0.000 -0.648 -0.071) 0.652 34.969 ( 0.000 0.147 0.502) 0.523 36.292 ( 0.000 0.113 3.240) 3.242 44.642 ( 0.000 -0.159 -0.457) 0.483 ======================= Grid point 45 (26/186) ======================= q-point: ( 0.09 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.983 ( 14.109 19.285 23.586) 33.575 7.273 ( 13.913 11.297 36.599) 40.751 7.835 ( 1.538 -5.872 -11.728) 13.206 8.103 ( 13.894 -2.050 -4.865) 14.863 8.979 ( 4.289 3.665 32.394) 32.882 9.979 ( 12.554 8.681 19.635) 24.870 11.292 ( -1.750 -5.057 20.722) 21.401 11.753 ( -7.572 -3.069 -27.056) 28.263 12.476 ( 34.602 4.748 10.452) 36.457 13.535 ( 1.119 -15.341 13.051) 20.172 14.525 ( -15.647 3.128 -14.256) 21.397 15.026 ( 8.613 -0.674 -8.037) 11.800 15.506 ( -7.299 10.104 -3.191) 12.866 16.131 ( -1.667 2.716 -14.153) 14.507 16.777 ( 9.494 -0.938 12.366) 15.619 17.392 ( 2.138 10.650 36.640) 38.216 17.696 ( -2.667 2.556 -17.414) 17.802 18.258 ( 1.608 0.699 13.410) 13.525 18.612 ( -3.519 -14.632 -14.266) 20.736 18.823 ( 4.605 4.658 1.979) 6.842 18.895 ( 3.153 -14.699 -18.568) 23.891 19.572 ( -5.998 -4.904 -39.721) 40.470 20.577 ( -3.330 9.906 15.936) 19.057 20.732 ( -12.405 -4.532 0.090) 13.207 21.715 ( 3.585 -2.054 18.025) 18.493 21.961 ( -20.333 1.308 -0.543) 20.382 22.224 ( -6.739 -1.828 -1.291) 7.101 22.520 ( 0.669 1.881 -13.041) 13.193 22.652 ( -5.124 -4.326 -11.901) 13.660 23.021 ( -14.193 8.576 -0.252) 16.585 23.426 ( 1.540 9.037 1.947) 9.372 23.773 ( -2.849 -15.512 5.594) 16.734 24.182 ( 7.839 0.272 3.192) 8.468 24.822 ( -8.536 -1.021 3.150) 9.156 25.165 ( -7.479 -1.858 -3.902) 8.638 25.461 ( 28.719 2.781 3.438) 29.058 26.541 ( -4.341 4.567 1.783) 6.549 26.886 ( 3.241 -1.892 -3.653) 5.237 27.429 ( 2.219 2.395 -3.617) 4.872 27.832 ( -1.037 -1.822 -3.671) 4.228 28.681 ( 1.423 0.639 1.491) 2.158 30.185 ( 0.807 1.088 3.032) 3.320 30.361 ( 0.230 0.886 -3.973) 4.078 30.526 ( -31.944 0.302 -1.920) 32.003 31.925 ( 36.626 -0.256 -0.239) 36.627 34.939 ( -2.959 0.190 0.765) 3.062 36.255 ( -3.778 0.111 3.080) 4.875 44.640 ( -0.200 -0.152 -0.623) 0.672 ======================= Grid point 46 (27/186) ======================= q-point: ( 0.18 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.379 ( 25.965 17.155 22.207) 38.231 7.588 ( 15.872 7.084 24.225) 29.816 7.931 ( 8.868 -1.882 -5.546) 10.627 8.463 ( 23.685 -2.179 -2.958) 23.969 9.145 ( 12.564 0.939 23.294) 26.483 10.291 ( 17.957 7.525 8.250) 21.145 11.346 ( 7.779 -10.173 -0.201) 12.808 11.622 ( -4.902 -1.378 -26.311) 26.799 13.175 ( 26.750 3.429 35.109) 44.271 13.612 ( 13.975 -8.894 23.697) 28.913 14.236 ( -12.704 5.489 -16.493) 21.530 15.095 ( -5.685 -1.666 3.256) 6.760 15.296 ( -10.473 5.650 -7.464) 14.047 16.119 ( 1.307 4.666 0.934) 4.934 17.030 ( 15.322 -0.262 4.952) 16.104 17.462 ( 4.778 10.554 27.514) 29.854 17.635 ( -3.097 2.115 -9.162) 9.899 18.252 ( -1.791 0.239 8.432) 8.624 18.541 ( -4.687 -9.559 -12.092) 16.111 18.829 ( -5.437 -8.476 -14.798) 17.899 19.070 ( 13.979 1.360 -2.620) 14.288 19.462 ( -2.488 -8.989 -32.965) 34.259 20.406 ( -15.393 -1.723 4.070) 16.015 20.516 ( -8.615 5.949 12.643) 16.415 21.319 ( -38.418 -0.173 -4.273) 38.655 21.745 ( -1.747 -2.210 4.348) 5.180 22.131 ( -4.215 4.424 -4.859) 7.807 22.416 ( -5.561 -5.580 -6.209) 10.031 22.602 ( -9.201 1.545 -14.925) 17.601 22.915 ( 4.782 2.451 3.585) 6.459 23.418 ( -2.477 5.492 2.956) 6.710 23.688 ( -5.252 -11.693 2.584) 13.076 24.366 ( 10.041 4.048 1.457) 10.923 24.604 ( -14.263 0.286 4.351) 14.914 24.989 ( -9.014 -5.150 -6.126) 12.054 25.930 ( 13.267 6.244 5.023) 15.499 26.473 ( 0.602 -0.260 4.499) 4.547 26.988 ( 7.192 -2.119 -9.118) 11.805 27.515 ( 6.838 2.136 2.861) 7.714 27.808 ( -0.852 -0.920 -5.889) 6.021 28.726 ( 3.342 0.730 1.354) 3.679 29.967 ( -23.443 0.388 -2.183) 23.547 30.223 ( 1.445 1.321 1.792) 2.654 30.372 ( 0.641 0.878 -3.367) 3.538 32.598 ( 32.186 -0.316 0.381) 32.189 34.859 ( -5.204 0.247 1.486) 5.418 36.153 ( -6.455 0.118 2.610) 6.963 44.634 ( -0.342 -0.134 -1.074) 1.135 ======================= Grid point 47 (28/186) ======================= q-point: ( 0.27 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.947 ( 31.119 13.712 20.036) 39.470 7.833 ( 10.321 -2.941 4.391) 11.596 8.175 ( 14.559 1.846 2.621) 14.908 9.021 ( 32.799 1.728 2.169) 32.916 9.423 ( 14.690 -0.129 14.832) 20.876 10.602 ( 12.622 3.521 12.570) 18.158 11.389 ( -3.694 -3.800 -16.236) 17.079 11.841 ( 29.177 -6.050 -25.186) 39.016 13.230 ( -10.145 -3.045 19.021) 21.771 13.861 ( -9.557 3.105 0.227) 10.051 14.421 ( 34.960 7.655 32.050) 48.041 14.731 ( -21.942 -2.527 6.162) 22.931 15.223 ( -0.233 2.396 -5.185) 5.716 16.210 ( 8.507 1.129 19.600) 21.397 17.305 ( 10.524 5.164 -1.591) 11.830 17.454 ( -6.297 9.966 7.129) 13.777 17.690 ( 8.756 -5.232 13.409) 16.847 18.220 ( -1.653 1.543 2.480) 3.356 18.397 ( -10.814 1.198 -6.157) 12.502 18.591 ( -15.572 -6.337 -8.881) 19.013 19.363 ( 13.992 -4.443 -9.595) 17.538 19.542 ( 8.559 -6.952 -14.957) 18.583 20.088 ( -15.835 -1.757 3.037) 16.219 20.238 ( -21.910 -0.093 -6.082) 22.739 20.753 ( -13.427 6.062 -4.001) 15.265 21.669 ( -5.259 -3.192 -5.579) 8.305 22.020 ( -8.617 4.454 -3.084) 10.178 22.280 ( -10.273 -6.713 -5.509) 13.452 22.389 ( -8.792 -1.642 -13.946) 16.568 23.055 ( 6.900 2.925 6.079) 9.650 23.348 ( -3.898 2.225 3.472) 5.675 23.572 ( -6.734 -7.510 0.511) 10.100 24.227 ( -21.529 -0.678 3.632) 21.844 24.578 ( 8.405 12.616 -5.682) 16.189 24.881 ( -0.897 -12.501 -3.147) 12.922 25.923 ( -8.758 3.095 0.856) 9.329 26.582 ( 6.738 1.513 13.552) 15.210 27.138 ( 7.105 -1.042 -13.109) 14.947 27.627 ( 1.435 -1.935 3.031) 3.871 27.867 ( 8.858 2.417 -5.329) 10.616 28.826 ( 7.468 0.403 1.587) 7.645 29.601 ( -14.193 0.837 -2.389) 14.417 30.259 ( 2.025 1.185 0.850) 2.495 30.386 ( 0.796 0.890 -2.708) 2.959 33.153 ( 24.561 -0.328 0.863) 24.578 34.745 ( -6.247 0.214 2.555) 6.753 36.018 ( -7.027 0.152 1.885) 7.277 44.627 ( -0.381 -0.110 -1.670) 1.716 ======================= Grid point 48 (29/186) ======================= q-point: ( 0.36 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.508 ( 23.944 8.650 15.636) 29.876 8.043 ( 12.423 -6.161 -0.082) 13.867 8.430 ( 10.662 -1.747 0.777) 10.833 9.636 ( 22.764 7.974 16.449) 29.195 9.679 ( 14.665 1.913 8.324) 16.971 10.759 ( 5.470 -9.061 3.514) 11.152 11.438 ( 11.219 4.442 -19.368) 22.819 12.519 ( 34.982 -5.052 -20.062) 40.642 12.948 ( -17.195 2.553 12.470) 21.394 13.615 ( -14.320 2.703 -1.554) 14.655 14.082 ( -29.755 -0.529 4.997) 30.176 15.107 ( 11.250 0.362 9.391) 14.659 15.428 ( 30.521 4.852 18.498) 36.017 16.438 ( 12.878 -2.456 34.769) 37.159 17.228 ( -14.070 5.403 10.321) 18.267 17.376 ( -10.218 8.756 -6.811) 15.082 17.814 ( 4.515 -5.902 11.832) 13.972 18.028 ( -11.580 -5.137 7.096) 14.521 18.321 ( 0.125 7.626 -2.742) 8.105 18.473 ( 7.883 2.312 -3.024) 8.754 19.354 ( -18.555 -8.981 -15.889) 26.027 19.624 ( -6.777 1.275 6.734) 9.639 19.859 ( -9.929 -0.077 -9.898) 14.020 20.006 ( 10.480 -2.267 -3.174) 11.182 20.767 ( 11.763 5.502 -10.048) 16.420 21.570 ( -4.533 -3.987 -9.139) 10.953 21.765 ( -15.975 -1.778 -13.119) 20.748 22.075 ( -10.891 -8.763 0.080) 13.979 22.252 ( -6.019 1.618 -12.688) 14.136 23.145 ( 2.408 3.889 4.152) 6.177 23.283 ( -3.169 -1.161 0.609) 3.429 23.453 ( -4.536 -1.938 3.640) 6.130 23.800 ( -20.432 -1.594 -2.077) 20.599 24.683 ( 2.692 10.468 -8.480) 13.738 24.961 ( 7.702 -12.103 0.486) 14.354 25.726 ( -10.247 0.191 0.632) 10.268 26.678 ( 3.393 3.190 14.161) 14.907 27.243 ( 3.807 0.497 -13.214) 13.760 27.599 ( -2.570 -2.986 -0.208) 3.945 28.052 ( 7.479 2.921 -1.809) 8.230 29.016 ( 11.257 -0.184 1.423) 11.348 29.402 ( -6.929 1.041 -1.898) 7.260 30.296 ( 1.626 1.136 -0.260) 2.000 30.401 ( 0.730 0.979 -2.111) 2.439 33.539 ( 15.048 -0.297 1.155) 15.095 34.628 ( -5.462 0.078 3.769) 6.637 35.896 ( -5.184 0.206 1.099) 5.303 44.620 ( -0.297 -0.088 -2.224) 2.246 ======================= Grid point 49 (30/186) ======================= q-point: ( 0.45 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.798 ( 6.382 3.036 7.069) 9.996 8.302 ( 10.687 -6.198 5.188) 13.400 8.565 ( 3.043 -4.775 -0.186) 5.666 9.801 ( 4.218 0.881 10.304) 11.169 9.922 ( 1.797 15.724 22.632) 27.617 10.965 ( 13.287 -9.219 -2.318) 16.338 11.715 ( 10.662 -7.761 -28.835) 31.707 12.679 ( -2.306 11.983 14.856) 19.225 12.938 ( -3.635 16.834 -13.196) 21.697 13.245 ( -13.270 -11.092 3.123) 17.575 13.810 ( 0.661 -7.749 -1.180) 7.866 15.247 ( 6.372 1.660 1.512) 6.756 16.002 ( 23.424 5.318 24.652) 34.420 16.448 ( -16.998 -0.693 25.371) 30.547 16.979 ( -3.646 1.005 7.617) 8.504 17.156 ( -6.516 7.911 8.436) 13.274 17.864 ( -2.815 -16.608 -14.685) 22.347 18.048 ( 15.232 -0.433 11.465) 19.070 18.281 ( -5.003 13.550 5.885) 15.597 18.728 ( 5.977 2.190 -1.422) 6.522 18.991 ( -4.671 -4.068 5.847) 8.517 19.312 ( -19.750 4.346 11.064) 23.052 19.765 ( -2.115 7.508 -2.055) 8.066 20.275 ( 10.368 -10.227 -7.828) 16.534 21.068 ( 13.905 7.664 -17.805) 23.856 21.458 ( -7.558 -8.430 -13.155) 17.356 21.565 ( -0.658 -2.677 -16.807) 17.032 21.822 ( -13.333 -8.876 3.911) 16.488 22.174 ( -1.921 1.781 -13.524) 13.775 23.158 ( -0.929 0.937 -1.690) 2.144 23.253 ( 2.110 0.449 -0.667) 2.258 23.360 ( -7.032 0.762 2.585) 7.530 23.533 ( -5.064 -2.675 0.388) 5.741 24.713 ( 0.693 5.376 -8.028) 9.687 25.104 ( 5.264 -8.953 0.556) 10.401 25.561 ( -5.576 -0.016 0.704) 5.620 26.721 ( 1.110 3.623 13.338) 13.866 27.291 ( 1.213 1.221 -13.494) 13.604 27.558 ( -1.262 -3.138 -0.366) 3.403 28.139 ( 1.940 2.823 -0.433) 3.453 29.207 ( 7.332 -0.042 0.380) 7.342 29.305 ( -3.858 0.671 -0.821) 4.001 30.319 ( 0.633 1.130 -0.955) 1.609 30.412 ( 0.327 1.096 -1.818) 2.148 33.733 ( 4.999 -0.247 1.251) 5.159 34.549 ( -2.262 -0.065 4.639) 5.162 35.827 ( -1.842 0.249 0.587) 1.949 44.616 ( -0.112 -0.074 -2.557) 2.560 ======================= Grid point 55 (31/186) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 156 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.161 ( 0.000 0.000 0.000) 0.000 7.485 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 9.563 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 11.120 ( 0.000 0.000 0.000) 0.000 11.527 ( 0.000 0.000 0.000) 0.000 12.490 ( 0.000 -0.000 0.000) 0.000 13.548 ( 0.000 -0.000 0.000) 0.000 14.685 ( 0.000 0.000 -0.000) 0.000 14.713 ( 0.000 0.000 0.000) 0.000 15.629 ( 0.000 0.000 0.000) 0.000 15.775 ( 0.000 0.000 0.000) 0.000 17.007 ( 0.000 0.000 0.000) 0.000 17.441 ( 0.000 0.000 -0.000) 0.000 17.913 ( 0.000 0.000 0.000) 0.000 18.224 ( 0.000 0.000 0.000) 0.000 18.544 ( 0.000 0.000 0.000) 0.000 18.675 ( 0.000 -0.000 0.000) 0.000 18.947 ( 0.000 0.000 0.000) 0.000 18.952 ( 0.000 0.000 -0.000) 0.000 20.799 ( 0.000 0.000 0.000) 0.000 20.870 ( 0.000 0.000 0.000) 0.000 21.961 ( 0.000 0.000 0.000) 0.000 22.080 ( 0.000 -0.000 0.000) 0.000 22.223 ( 0.000 0.000 -0.000) 0.000 22.413 ( 0.000 0.000 0.000) 0.000 22.505 ( 0.000 0.000 0.000) 0.000 23.422 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 -0.000 0.000) 0.000 23.722 ( 0.000 0.000 0.000) 0.000 24.138 ( 0.000 0.000 0.000) 0.000 24.881 ( 0.000 0.000 0.000) 0.000 25.134 ( 0.000 0.000 0.000) 0.000 25.234 ( 0.000 0.000 0.000) 0.000 26.647 ( 0.000 0.000 0.000) 0.000 26.832 ( 0.000 0.000 0.000) 0.000 27.350 ( 0.000 0.000 0.000) 0.000 27.804 ( 0.000 0.000 0.000) 0.000 28.686 ( 0.000 0.000 0.000) 0.000 30.228 ( 0.000 0.000 0.000) 0.000 30.309 ( 0.000 0.000 0.000) 0.000 31.168 ( 0.000 0.000 0.000) 0.000 31.221 ( 0.000 0.000 0.000) 0.000 34.974 ( 0.000 0.000 0.000) 0.000 36.323 ( 0.000 0.000 0.000) 0.000 44.637 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 57 (32/186) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.301 ( 14.148 0.000 0.000) 14.148 7.588 ( 7.889 0.000 0.000) 7.889 7.674 ( 6.336 0.000 0.000) 6.336 8.091 ( 13.360 0.000 0.000) 13.360 9.625 ( 1.695 0.000 -0.000) 1.695 10.056 ( 0.376 0.000 0.000) 0.376 11.054 ( -3.102 0.000 0.000) 3.102 11.495 ( -4.321 0.000 0.000) 4.321 12.988 ( 42.938 -0.000 0.000) 42.938 13.577 ( 3.110 -0.000 0.000) 3.110 14.408 ( -15.846 0.000 0.000) 15.846 14.935 ( 10.438 0.000 0.000) 10.438 15.641 ( -11.015 0.000 0.000) 11.015 15.740 ( 8.596 0.000 0.000) 8.596 17.073 ( 6.081 0.000 0.000) 6.081 17.427 ( -0.509 0.000 -0.000) 0.509 17.917 ( 0.317 0.000 0.000) 0.317 18.193 ( -2.877 0.000 0.000) 2.877 18.568 ( -2.357 0.000 0.000) 2.357 18.700 ( 4.773 0.000 0.000) 4.773 18.885 ( -2.171 0.000 -0.000) 2.171 18.973 ( 0.653 0.000 -0.000) 0.653 20.683 ( -10.793 0.000 0.000) 10.793 20.857 ( -1.709 0.000 0.000) 1.709 21.901 ( -6.220 0.000 0.000) 6.220 21.950 ( -20.625 0.000 0.000) 20.625 22.211 ( -7.991 0.000 0.000) 7.991 22.305 ( -0.160 0.000 -0.000) 0.160 22.534 ( 3.300 0.000 0.000) 3.300 23.094 ( -18.244 0.000 0.000) 18.244 23.500 ( 0.700 0.000 0.000) 0.700 23.731 ( -2.858 0.000 0.000) 2.858 24.222 ( 7.946 0.000 0.000) 7.946 24.820 ( -6.043 0.000 0.000) 6.043 25.135 ( -9.794 0.000 0.000) 9.794 25.513 ( 31.161 0.000 0.000) 31.161 26.579 ( -6.234 0.000 0.000) 6.234 26.839 ( 1.136 0.000 0.000) 1.136 27.413 ( 6.038 0.000 0.000) 6.038 27.784 ( -2.033 0.000 -0.000) 2.033 28.698 ( 1.337 0.000 0.000) 1.337 30.235 ( 0.629 0.000 0.000) 0.629 30.312 ( -0.271 0.000 0.000) 0.271 30.512 ( -31.643 0.000 0.000) 31.643 31.921 ( 36.913 0.000 0.000) 36.913 34.947 ( -2.703 0.000 0.000) 2.703 36.284 ( -3.926 0.000 0.000) 3.926 44.633 ( -0.351 0.000 0.000) 0.351 ======================= Grid point 59 (33/186) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.690 ( 25.203 0.000 0.000) 25.203 7.697 ( 4.668 0.000 0.000) 4.668 7.921 ( 15.590 0.000 0.000) 15.590 8.452 ( 24.141 0.000 0.000) 24.141 9.566 ( -1.911 0.000 0.000) 1.911 10.403 ( 30.906 0.000 0.000) 30.906 11.047 ( 2.539 0.000 0.000) 2.539 11.361 ( -8.743 0.000 0.000) 8.743 13.519 ( 0.808 -0.000 0.000) 0.808 13.999 ( 37.381 0.000 0.000) 37.381 14.122 ( -4.496 0.000 0.000) 4.496 15.091 ( 5.266 0.000 0.000) 5.266 15.307 ( -21.935 0.000 0.000) 21.935 16.014 ( 18.712 0.000 0.000) 18.712 17.188 ( 5.107 0.000 0.000) 5.107 17.478 ( 5.854 0.000 0.000) 5.854 17.923 ( 0.365 0.000 0.000) 0.365 18.140 ( -1.353 0.000 0.000) 1.353 18.402 ( -13.188 0.000 0.000) 13.188 18.734 ( -0.989 0.000 0.000) 0.989 18.902 ( -1.121 -0.000 -0.000) 1.121 19.120 ( 17.891 0.000 0.000) 17.891 20.421 ( -15.390 0.000 0.000) 15.390 20.795 ( -5.752 0.000 0.000) 5.752 21.205 ( -46.416 0.000 0.000) 46.416 21.751 ( -8.837 0.000 0.000) 8.837 22.133 ( -2.272 0.000 -0.000) 2.272 22.332 ( 0.737 0.000 0.000) 0.737 22.448 ( -14.893 0.000 0.000) 14.893 22.974 ( 5.859 0.000 0.000) 5.859 23.490 ( -2.213 -0.000 -0.000) 2.213 23.633 ( -6.196 0.000 0.000) 6.196 24.412 ( 10.928 -0.000 0.000) 10.928 24.642 ( -13.439 0.000 0.000) 13.439 24.896 ( -12.396 0.000 0.000) 12.396 26.017 ( 11.252 0.000 0.000) 11.252 26.527 ( 7.652 0.000 0.000) 7.652 26.872 ( 1.851 0.000 0.000) 1.851 27.574 ( 10.679 0.000 0.000) 10.679 27.729 ( -3.420 0.000 -0.000) 3.420 28.742 ( 3.344 0.000 0.000) 3.344 29.949 ( -23.714 0.000 0.000) 23.714 30.254 ( 1.102 0.000 0.000) 1.102 30.339 ( 0.995 0.000 0.000) 0.995 32.600 ( 32.435 0.000 0.000) 32.435 34.873 ( -4.769 0.000 0.000) 4.769 36.177 ( -6.736 0.000 0.000) 6.736 44.624 ( -0.598 0.000 0.000) 0.598 ======================= Grid point 61 (34/186) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.238 ( 29.857 0.000 0.000) 29.857 7.788 ( 5.224 0.000 0.000) 5.224 8.209 ( 13.305 0.000 0.000) 13.305 9.043 ( 36.666 -0.000 -0.000) 36.666 9.634 ( 7.809 -0.000 0.000) 7.809 10.912 ( 3.471 0.000 0.000) 3.471 11.151 ( 4.446 0.000 0.000) 4.446 11.388 ( 31.439 0.000 0.000) 31.439 13.420 ( -9.770 -0.000 0.000) 9.770 13.810 ( -14.568 0.000 0.000) 14.568 14.763 ( -18.944 0.000 0.000) 18.944 14.932 ( 25.439 -0.000 0.000) 25.439 15.173 ( 6.203 0.000 0.000) 6.203 16.437 ( 23.637 0.000 0.000) 23.637 17.318 ( 7.303 -0.000 -0.000) 7.303 17.545 ( 0.263 0.000 -0.000) 0.263 17.928 ( -2.404 0.000 0.000) 2.404 18.063 ( -11.126 0.000 0.000) 11.126 18.271 ( 8.300 0.000 0.000) 8.300 18.721 ( -0.391 0.000 0.000) 0.391 18.833 ( -6.182 -0.000 -0.000) 6.182 19.538 ( 22.391 0.000 0.000) 22.391 20.108 ( -16.198 0.000 0.000) 16.198 20.233 ( -40.597 0.000 0.000) 40.597 20.778 ( -3.369 0.000 0.000) 3.369 21.582 ( -8.062 0.000 0.000) 8.062 22.010 ( -20.021 -0.000 -0.000) 20.021 22.118 ( -8.068 0.000 0.000) 8.068 22.313 ( -3.009 -0.000 -0.000) 3.009 23.136 ( 7.762 0.000 0.000) 7.762 23.400 ( -6.883 0.000 -0.000) 6.883 23.525 ( -4.077 0.000 0.000) 4.077 24.261 ( -24.436 0.000 0.000) 24.436 24.613 ( 7.436 -0.000 0.000) 7.436 24.760 ( 0.202 0.000 0.000) 0.202 25.947 ( -10.578 0.000 0.000) 10.578 26.823 ( 14.932 0.000 0.000) 14.932 26.903 ( 1.326 0.000 -0.000) 1.326 27.654 ( -3.867 0.000 0.000) 3.867 27.825 ( 13.831 0.000 0.000) 13.831 28.842 ( 7.384 0.000 0.000) 7.384 29.584 ( -13.975 0.000 0.000) 13.975 30.277 ( 1.263 0.000 0.000) 1.263 30.363 ( 1.306 0.000 0.000) 1.306 33.159 ( 24.747 0.000 0.000) 24.747 34.770 ( -5.707 0.000 0.000) 5.707 36.036 ( -7.392 0.000 0.000) 7.392 44.611 ( -0.662 0.000 0.000) 0.662 ======================= Grid point 63 (35/186) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.739 ( 15.944 0.000 -0.000) 15.944 7.962 ( 16.725 0.000 0.000) 16.725 8.421 ( 8.415 0.000 0.000) 8.415 9.764 ( 16.739 0.000 0.000) 16.739 9.880 ( 35.392 -0.000 0.000) 35.392 10.709 ( -14.728 0.000 0.000) 14.728 11.307 ( 9.395 0.000 0.000) 9.395 12.218 ( 42.418 0.000 0.000) 42.418 13.147 ( -17.144 0.000 0.000) 17.144 13.575 ( -8.429 0.000 0.000) 8.429 14.150 ( -33.635 0.000 0.000) 33.635 15.158 ( 4.017 0.000 0.000) 4.017 15.656 ( 30.689 0.000 -0.000) 30.689 16.867 ( 18.673 0.000 0.000) 18.673 17.265 ( -11.112 0.000 -0.000) 11.112 17.434 ( -19.979 0.000 0.000) 19.979 17.939 ( 14.674 -0.000 -0.000) 14.674 17.961 ( -8.974 0.000 0.000) 8.974 18.345 ( -6.653 0.000 -0.000) 6.653 18.706 ( 4.308 0.000 0.000) 4.308 18.802 ( 6.266 -0.000 -0.000) 6.266 19.721 ( -11.592 0.000 0.000) 11.592 19.757 ( -5.857 0.000 0.000) 5.857 19.978 ( 8.147 0.000 0.000) 8.147 20.817 ( 9.422 0.000 0.000) 9.422 21.441 ( -10.051 0.000 0.000) 10.051 21.514 ( -23.260 -0.000 0.000) 23.260 22.007 ( -7.573 0.000 -0.000) 7.573 22.213 ( -6.430 -0.000 0.000) 6.430 23.205 ( -2.540 0.000 0.000) 2.540 23.273 ( -3.145 0.000 0.000) 3.145 23.498 ( 1.067 0.000 0.000) 1.067 23.771 ( -24.085 0.000 0.000) 24.085 24.654 ( 0.182 -0.000 0.000) 0.182 24.903 ( 9.993 0.000 0.000) 9.993 25.733 ( -10.528 0.000 0.000) 10.528 26.921 ( 0.803 0.000 0.000) 0.803 27.028 ( 6.607 0.000 0.000) 6.607 27.583 ( -3.209 0.000 0.000) 3.209 28.052 ( 8.453 0.000 0.000) 8.453 29.027 ( 10.853 0.000 0.000) 10.853 29.390 ( -6.559 0.000 0.000) 6.559 30.300 ( 1.065 0.000 0.000) 1.065 30.387 ( 1.064 0.000 0.000) 1.064 33.548 ( 15.146 0.000 0.000) 15.146 34.663 ( -4.966 0.000 0.000) 4.966 35.907 ( -5.505 0.000 0.000) 5.505 44.599 ( -0.515 0.000 0.000) 0.515 ======================= Grid point 65 (36/186) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 286 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.880 ( 2.692 0.000 0.000) 2.692 8.313 ( 12.315 0.000 0.000) 12.315 8.531 ( 2.846 0.000 0.000) 2.846 9.895 ( 2.956 0.000 0.000) 2.956 10.402 ( -4.348 0.000 0.000) 4.348 10.757 ( 34.702 0.000 0.000) 34.702 11.341 ( -11.270 0.000 0.000) 11.270 12.797 ( 14.996 -0.000 0.000) 14.996 12.946 ( 2.259 0.000 -0.000) 2.259 13.304 ( -24.939 0.000 0.000) 24.939 13.749 ( -1.708 0.000 0.000) 1.708 15.270 ( 6.232 0.000 0.000) 6.232 16.201 ( 24.098 0.000 0.000) 24.098 16.894 ( -19.945 0.000 -0.000) 19.945 16.956 ( -16.831 0.000 0.000) 16.831 17.237 ( 9.353 0.000 0.000) 9.353 17.629 ( -15.519 0.000 0.000) 15.519 18.204 ( 7.780 0.000 -0.000) 7.780 18.356 ( 4.637 0.000 0.000) 4.637 18.775 ( 1.142 0.000 0.000) 1.142 18.991 ( 8.937 0.000 0.000) 8.937 19.478 ( -9.023 0.000 0.000) 9.023 19.868 ( 9.444 -0.000 -0.000) 9.444 20.049 ( 0.364 0.000 0.000) 0.364 20.996 ( -17.832 0.000 0.000) 17.832 21.123 ( 15.531 0.000 0.000) 15.531 21.408 ( 0.244 0.000 0.000) 0.244 21.773 ( -14.505 0.000 -0.000) 14.505 22.125 ( -2.099 0.000 0.000) 2.099 23.121 ( -3.104 0.000 0.000) 3.104 23.269 ( 1.392 0.000 0.000) 1.392 23.403 ( -11.766 0.000 -0.000) 11.766 23.530 ( 1.081 0.000 0.000) 1.081 24.659 ( 0.183 0.000 0.000) 0.183 25.065 ( 5.480 0.000 0.000) 5.480 25.568 ( -5.447 0.000 0.000) 5.447 26.933 ( 0.346 0.000 0.000) 0.346 27.106 ( 1.830 0.000 0.000) 1.830 27.537 ( -1.279 0.000 0.000) 1.279 28.151 ( 2.232 0.000 0.000) 2.232 29.208 ( 6.592 0.000 0.000) 6.592 29.303 ( -3.132 0.000 0.000) 3.132 30.316 ( 0.442 0.000 0.000) 0.442 30.402 ( 0.421 0.000 0.000) 0.421 33.743 ( 5.024 0.000 0.000) 5.024 34.591 ( -2.054 0.000 0.000) 2.054 35.833 ( -1.967 0.000 0.000) 1.967 44.592 ( -0.194 0.000 0.000) 0.194 ======================= Grid point 132 (37/186) ======================= q-point: ( 0.00 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.792 ( 0.000 -0.000 75.803) 75.803 3.683 ( 0.000 -0.000 100.215) 100.215 5.395 ( 0.000 -0.000 144.581) 144.581 7.974 ( 0.000 0.000 -0.630) 0.630 8.695 ( 0.000 0.000 -1.785) 1.785 9.533 ( 0.000 0.000 -34.928) 34.928 10.099 ( 0.000 -0.000 11.337) 11.337 12.771 ( 0.000 0.000 -29.775) 29.775 13.963 ( 0.000 -0.000 3.621) 3.621 14.152 ( 0.000 0.000 -34.769) 34.769 15.225 ( 0.000 -0.000 3.851) 3.851 15.275 ( 0.000 0.000 -23.721) 23.721 15.394 ( 0.000 -0.000 8.266) 8.266 15.501 ( 0.000 -0.000 35.634) 35.634 15.980 ( 0.000 0.000 -2.590) 2.590 16.026 ( 0.000 -0.000 29.244) 29.244 17.630 ( 0.000 -0.000 12.248) 12.248 18.306 ( 0.000 0.000 -8.422) 8.422 18.691 ( 0.000 0.000 -33.138) 33.138 19.195 ( 0.000 0.000 -4.424) 4.424 19.513 ( 0.000 -0.000 5.923) 5.923 20.635 ( 0.000 -0.000 31.430) 31.430 20.751 ( 0.000 0.000 -17.548) 17.548 20.878 ( 0.000 0.000 -2.029) 2.029 21.750 ( 0.000 0.000 -9.418) 9.418 21.888 ( 0.000 -0.000 20.432) 20.432 22.465 ( 0.000 -0.000 3.200) 3.200 22.555 ( 0.000 0.000 -30.456) 30.456 22.617 ( 0.000 0.000 -4.976) 4.976 22.919 ( 0.000 0.000 -10.485) 10.485 23.557 ( 0.000 0.000 -5.456) 5.456 24.036 ( 0.000 -0.000 0.954) 0.954 24.400 ( 0.000 -0.000 8.519) 8.519 24.653 ( 0.000 -0.000 7.417) 7.417 25.016 ( 0.000 0.000 -1.011) 1.011 25.631 ( 0.000 0.000 -8.926) 8.926 25.945 ( 0.000 -0.000 9.141) 9.141 27.000 ( 0.000 0.000 -1.609) 1.609 27.590 ( 0.000 0.000 -6.443) 6.443 28.048 ( 0.000 0.000 -3.552) 3.552 28.533 ( 0.000 -0.000 3.852) 3.852 30.043 ( 0.000 -0.000 1.333) 1.333 30.412 ( 0.000 0.000 -1.488) 1.488 31.278 ( 0.000 0.000 -3.824) 3.824 31.293 ( 0.000 0.000 -1.706) 1.706 34.940 ( 0.000 -0.000 0.809) 0.809 36.109 ( 0.000 -0.000 5.513) 5.513 44.675 ( 0.000 0.000 -0.787) 0.787 ======================= Grid point 133 (38/186) ======================= q-point: ( 0.09 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( 33.998 -0.000 66.819) 74.971 4.072 ( 40.784 -0.000 85.810) 95.010 6.160 ( 70.452 -0.000 123.404) 142.098 7.988 ( 1.409 0.000 -0.161) 1.418 8.995 ( 24.062 0.000 -10.745) 26.352 9.572 ( 3.647 0.000 -31.811) 32.020 10.065 ( -2.829 -0.000 12.892) 13.199 12.789 ( 1.597 0.000 -31.880) 31.920 13.844 ( -12.090 -0.000 5.150) 13.141 14.090 ( -5.839 0.000 -31.639) 32.173 14.995 ( -17.938 -0.000 15.523) 23.722 15.156 ( -8.025 0.000 -22.874) 24.241 15.379 ( -2.848 -0.000 6.674) 7.256 15.614 ( 6.804 -0.000 19.188) 20.358 16.046 ( 6.339 -0.000 4.123) 7.562 16.194 ( 15.434 -0.000 28.406) 32.328 17.678 ( 1.495 -0.000 9.586) 9.702 18.324 ( 4.589 0.000 -6.755) 8.166 18.472 ( -19.148 0.000 -19.026) 26.993 19.169 ( -2.755 0.000 -3.636) 4.562 19.612 ( 6.143 0.000 -4.697) 7.733 20.451 ( -14.734 -0.000 23.514) 27.749 20.576 ( -26.840 -0.000 3.492) 27.067 20.818 ( 4.272 0.000 -13.538) 14.196 21.857 ( 9.282 0.000 -5.905) 11.001 21.895 ( -1.898 -0.000 4.429) 4.818 22.474 ( 0.983 -0.000 3.619) 3.750 22.488 ( -3.136 0.000 -25.109) 25.304 22.657 ( 0.384 0.000 -1.123) 1.187 22.872 ( -4.746 0.000 -9.910) 10.987 23.578 ( 1.909 0.000 -8.214) 8.433 24.011 ( -2.381 0.000 -0.124) 2.384 24.386 ( -2.023 -0.000 8.764) 8.994 24.527 ( -8.489 -0.000 5.422) 10.073 25.156 ( 9.633 -0.000 1.120) 9.697 25.622 ( -0.395 0.000 -8.660) 8.669 26.031 ( 7.951 -0.000 9.956) 12.742 27.098 ( 10.316 0.000 -3.514) 10.898 27.528 ( -5.659 0.000 -5.137) 7.643 28.037 ( -1.150 0.000 -3.701) 3.875 28.544 ( 1.086 -0.000 3.904) 4.053 30.062 ( 1.896 -0.000 1.189) 2.238 30.385 ( -4.794 0.000 -0.582) 4.829 30.670 ( -26.146 0.000 -5.288) 26.675 31.966 ( 34.830 0.000 -1.333) 34.855 34.881 ( -5.423 -0.000 2.181) 5.845 36.082 ( -2.797 -0.000 5.175) 5.882 44.681 ( 0.652 0.000 -1.048) 1.234 ======================= Grid point 134 (39/186) ======================= q-point: ( 0.18 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.002 ( 52.087 -0.000 51.348) 73.141 5.170 ( 68.078 -0.000 57.950) 89.403 7.776 ( 87.320 -0.000 84.017) 121.176 8.026 ( 2.513 -0.000 1.070) 2.731 9.468 ( 24.863 0.000 -8.064) 26.138 9.648 ( 3.187 0.000 -23.018) 23.238 10.030 ( 1.213 -0.000 16.565) 16.609 12.797 ( -3.120 0.000 -34.586) 34.727 13.547 ( -14.905 -0.000 4.604) 15.599 13.951 ( -8.264 0.000 -17.557) 19.405 14.608 ( -20.799 -0.000 11.772) 23.899 15.044 ( -3.591 0.000 -27.290) 27.526 15.302 ( -4.071 -0.000 4.697) 6.216 15.732 ( 5.529 -0.000 10.537) 11.900 16.192 ( 7.957 -0.000 13.084) 15.314 16.559 ( 20.878 -0.000 29.127) 35.837 17.578 ( -10.778 -0.000 6.308) 12.489 18.025 ( -26.625 -0.000 0.924) 26.641 18.546 ( 15.039 0.000 -4.114) 15.592 19.099 ( -2.780 -0.000 0.346) 2.802 19.590 ( -13.045 0.000 -13.097) 18.485 20.066 ( -18.414 -0.000 1.839) 18.506 20.144 ( -15.413 -0.000 19.001) 24.467 20.906 ( 4.827 0.000 -14.634) 15.410 21.743 ( -14.803 0.000 -20.185) 25.032 22.034 ( 7.598 0.000 -3.417) 8.331 22.419 ( -5.086 0.000 -3.738) 6.312 22.496 ( 0.459 -0.000 4.608) 4.631 22.627 ( -2.593 0.000 -1.846) 3.183 22.745 ( -7.437 0.000 -7.625) 10.651 23.625 ( 2.940 0.000 -10.687) 11.084 23.947 ( -4.686 0.000 -1.835) 5.032 24.307 ( -5.616 -0.000 8.299) 10.021 24.409 ( -3.010 0.000 -1.642) 3.429 25.311 ( 6.185 -0.000 1.480) 6.359 25.639 ( 2.537 0.000 -7.760) 8.164 26.181 ( 5.361 -0.000 11.090) 12.318 27.336 ( 5.121 0.000 -5.316) 7.381 27.479 ( 10.358 0.000 -4.179) 11.169 28.004 ( -2.189 0.000 -4.063) 4.615 28.574 ( 2.278 -0.000 4.669) 5.195 30.054 ( -22.467 0.000 -2.839) 22.646 30.113 ( 3.188 -0.000 0.813) 3.290 30.465 ( -1.455 0.000 -3.784) 4.055 32.607 ( 30.547 0.000 -0.166) 30.547 34.750 ( -7.900 -0.000 3.591) 8.678 36.006 ( -4.734 -0.000 4.304) 6.398 44.699 ( 1.109 0.000 -1.760) 2.080 ======================= Grid point 135 (40/186) ======================= q-point: ( 0.27 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.083 ( 57.595 -0.000 39.257) 69.702 6.558 ( 71.824 -0.000 37.657) 81.097 8.084 ( 3.421 -0.000 2.694) 4.354 9.080 ( 36.516 -0.000 24.211) 43.813 9.647 ( -4.654 0.000 -10.642) 11.616 9.864 ( 8.886 -0.000 11.134) 14.245 10.512 ( 62.436 -0.000 32.403) 70.343 12.556 ( -20.853 0.000 -20.341) 29.131 13.448 ( 5.750 0.000 -15.002) 16.066 13.721 ( -17.579 -0.000 17.646) 24.908 14.294 ( -7.312 0.000 -9.344) 11.864 14.965 ( -6.087 0.000 -33.647) 34.193 15.260 ( 0.269 0.000 -0.036) 0.271 15.827 ( 4.098 -0.000 7.795) 8.807 16.333 ( 6.133 -0.000 19.032) 19.996 16.944 ( 15.834 -0.000 26.401) 30.785 17.376 ( -5.705 -0.000 12.618) 13.848 17.427 ( -35.046 -0.000 15.631) 38.374 18.625 ( -9.528 0.000 -1.734) 9.685 19.196 ( -20.241 0.000 -8.167) 21.826 19.220 ( 13.928 -0.000 7.055) 15.613 19.878 ( -6.201 0.000 -15.098) 16.322 19.926 ( -3.809 -0.000 10.131) 10.824 21.000 ( 4.705 0.000 -14.060) 14.826 21.282 ( -32.887 0.000 -25.328) 41.510 22.129 ( 2.111 0.000 -4.043) 4.561 22.309 ( -5.120 -0.000 7.935) 9.443 22.385 ( -13.156 0.000 -0.484) 13.165 22.560 ( -4.520 0.000 -0.074) 4.521 22.687 ( 2.596 -0.000 1.580) 3.039 23.702 ( 5.324 0.000 -15.644) 16.525 23.782 ( -13.040 -0.000 0.023) 13.040 24.229 ( -1.135 -0.000 4.288) 4.435 24.405 ( 1.824 0.000 -12.215) 12.351 25.407 ( 3.937 0.000 -0.016) 3.937 25.720 ( 5.432 0.000 -6.646) 8.583 26.196 ( -3.312 -0.000 10.763) 11.261 27.363 ( 3.550 0.000 -0.553) 3.592 27.821 ( 16.012 0.000 -9.736) 18.740 27.955 ( -2.750 0.000 -4.473) 5.251 28.660 ( 7.833 -0.000 6.807) 10.377 29.680 ( -15.653 0.000 -3.474) 16.034 30.179 ( 3.469 -0.000 0.341) 3.485 30.455 ( -0.050 0.000 -2.922) 2.922 33.132 ( 23.230 -0.000 0.890) 23.247 34.581 ( -9.189 -0.000 5.141) 10.530 35.909 ( -4.925 -0.000 3.047) 5.791 44.722 ( 1.209 0.000 -2.697) 2.955 ======================= Grid point 136 (41/186) ======================= q-point: ( 0.36 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.171 ( 52.494 -0.000 31.091) 61.011 7.852 ( 58.991 -0.000 22.746) 63.225 8.168 ( 5.916 -0.000 4.666) 7.535 9.384 ( 2.279 -0.000 5.245) 5.719 9.417 ( -19.821 -0.000 1.127) 19.853 10.045 ( 12.923 -0.000 20.585) 24.305 11.786 ( 46.291 -0.000 19.035) 50.052 12.142 ( -18.596 0.000 -11.127) 21.670 13.405 ( -3.673 -0.000 36.640) 36.824 13.684 ( 16.633 0.000 -28.195) 32.735 14.367 ( 13.316 0.000 -3.575) 13.788 14.786 ( -12.330 0.000 -38.839) 40.749 15.286 ( 1.252 0.000 -7.778) 7.878 15.881 ( 1.009 -0.000 9.069) 9.125 16.421 ( 2.704 -0.000 23.359) 23.515 16.718 ( -35.058 -0.000 15.234) 38.225 17.068 ( 2.021 -0.000 16.047) 16.174 17.490 ( 11.952 -0.000 26.776) 29.323 18.338 ( -16.607 -0.000 6.357) 17.782 18.900 ( -11.142 0.000 -2.390) 11.395 19.336 ( -2.586 -0.000 10.418) 10.734 19.754 ( -6.442 0.000 -26.140) 26.922 20.140 ( 23.825 0.000 -0.270) 23.826 20.533 ( -40.770 0.000 -16.923) 44.142 21.081 ( 3.395 0.000 -13.039) 13.474 21.998 ( -20.011 -0.000 5.033) 20.634 22.183 ( -1.570 0.000 -10.603) 10.718 22.240 ( -1.991 -0.000 3.361) 3.906 22.458 ( -5.479 -0.000 6.432) 8.449 22.779 ( 6.016 -0.000 4.680) 7.622 23.480 ( -16.461 -0.000 2.349) 16.628 23.825 ( 6.721 0.000 -20.707) 21.771 24.251 ( 2.417 -0.000 1.024) 2.625 24.446 ( 1.779 0.000 -20.096) 20.175 25.465 ( 2.084 0.000 -0.541) 2.153 25.828 ( 5.109 0.000 -5.930) 7.827 26.105 ( -4.707 -0.000 10.758) 11.743 27.484 ( 7.959 0.000 -2.743) 8.418 27.903 ( -2.379 0.000 -4.805) 5.362 27.981 ( 0.800 0.000 -7.813) 7.854 28.897 ( 14.921 -0.000 6.358) 16.219 29.446 ( -8.688 0.000 -2.917) 9.165 30.240 ( 2.649 0.000 -0.073) 2.650 30.456 ( 0.098 0.000 -2.615) 2.617 33.497 ( 14.284 -0.000 1.586) 14.372 34.409 ( -8.063 -0.000 6.912) 10.620 35.826 ( -3.462 -0.000 1.819) 3.911 44.743 ( 0.923 0.000 -3.557) 3.675 ======================= Grid point 137 (42/186) ======================= q-point: ( 0.45 0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.981 ( 25.472 -0.000 25.196) 35.828 8.374 ( 17.721 -0.000 9.034) 19.891 8.743 ( 30.003 -0.000 6.323) 30.662 8.905 ( -30.199 -0.000 6.343) 30.858 9.302 ( -8.693 -0.000 9.639) 12.980 10.339 ( 13.337 -0.000 34.100) 36.615 11.897 ( -6.315 0.000 -8.591) 10.662 11.954 ( -11.309 -0.000 2.927) 11.682 13.738 ( 20.253 -0.000 27.964) 34.528 14.033 ( 17.104 0.000 -27.140) 32.080 14.504 ( -15.126 0.000 -48.278) 50.592 14.717 ( 16.834 -0.000 16.504) 23.575 15.294 ( -0.101 0.000 -10.712) 10.713 15.823 ( -7.019 -0.000 21.374) 22.497 16.208 ( -11.621 -0.000 2.183) 11.824 16.465 ( 0.454 -0.000 22.584) 22.589 17.166 ( 6.552 -0.000 14.461) 15.876 17.605 ( -1.496 -0.000 23.146) 23.194 18.107 ( -4.834 -0.000 18.007) 18.645 18.715 ( -7.451 -0.000 0.077) 7.451 19.260 ( -3.012 -0.000 7.305) 7.901 19.656 ( -2.712 0.000 -17.842) 18.047 19.900 ( -19.162 0.000 -22.389) 29.469 20.640 ( 22.197 0.000 -4.045) 22.563 21.119 ( -0.020 0.000 -12.459) 12.459 21.578 ( -18.526 -0.000 9.716) 20.919 22.173 ( -0.232 0.000 -12.027) 12.029 22.226 ( 0.142 0.000 -4.007) 4.010 22.370 ( -2.931 -0.000 13.069) 13.394 22.911 ( 7.032 -0.000 4.319) 8.252 23.196 ( -11.388 -0.000 3.724) 11.982 23.931 ( 3.262 0.000 -22.026) 22.266 24.292 ( 1.295 -0.000 0.109) 1.300 24.465 ( 0.296 0.000 -24.792) 24.793 25.489 ( 0.484 -0.000 0.805) 0.939 25.901 ( 2.042 0.000 -5.626) 5.985 26.042 ( -1.612 -0.000 10.107) 10.235 27.633 ( 6.032 0.000 -10.112) 11.774 27.869 ( -0.956 0.000 -4.989) 5.079 27.926 ( -4.015 -0.000 0.004) 4.015 29.144 ( 8.592 -0.000 4.656) 9.772 29.325 ( -4.223 0.000 -2.574) 4.946 30.276 ( 0.988 0.000 -0.310) 1.036 30.458 ( 0.052 0.000 -2.486) 2.487 33.683 ( 4.798 -0.000 1.843) 5.140 34.292 ( -3.356 -0.000 8.199) 8.860 35.780 ( -1.197 -0.000 1.093) 1.621 44.756 ( 0.344 0.000 -4.068) 4.083 ======================= Grid point 143 (43/186) ======================= q-point: ( 0.00 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.187 ( 0.000 19.078 64.166) 66.942 5.442 ( 0.000 9.104 89.214) 89.677 7.880 ( 0.000 12.001 121.829) 122.419 7.957 ( 0.000 -0.280 -1.088) 1.123 8.681 ( 0.000 -1.713 3.007) 3.460 8.799 ( 0.000 -8.889 -37.927) 38.955 10.409 ( 0.000 5.526 21.260) 21.967 12.274 ( 0.000 -3.576 -23.704) 23.973 13.340 ( 0.000 -6.053 -50.695) 51.055 13.931 ( 0.000 -9.010 -2.275) 9.293 14.896 ( 0.000 4.274 -19.117) 19.589 15.193 ( 0.000 -4.381 -6.330) 7.698 15.397 ( 0.000 4.050 -5.996) 7.236 15.957 ( 0.000 -3.852 9.741) 10.475 16.278 ( 0.000 5.740 44.771) 45.137 16.653 ( 0.000 4.866 22.545) 23.064 17.879 ( 0.000 1.117 14.885) 14.927 18.096 ( 0.000 -1.987 -21.094) 21.188 18.244 ( 0.000 11.312 -12.605) 16.937 19.122 ( 0.000 -7.106 -0.187) 7.108 19.770 ( 0.000 8.092 17.476) 19.258 20.328 ( 0.000 -15.283 -23.480) 28.016 20.549 ( 0.000 -0.602 -33.125) 33.131 21.194 ( 0.000 -0.183 30.476) 30.477 21.398 ( 0.000 -18.393 -16.817) 24.922 21.908 ( 0.000 18.537 -21.819) 28.630 22.394 ( 0.000 -3.546 9.356) 10.006 22.607 ( 0.000 15.231 2.701) 15.468 22.621 ( 0.000 -7.353 -1.447) 7.494 22.816 ( 0.000 8.851 3.119) 9.384 23.343 ( 0.000 -2.310 -16.385) 16.547 24.058 ( 0.000 0.024 1.565) 1.565 24.449 ( 0.000 -16.942 8.854) 19.117 24.821 ( 0.000 3.943 8.421) 9.298 25.020 ( 0.000 -0.367 1.374) 1.422 25.436 ( 0.000 -1.365 -11.435) 11.516 26.165 ( 0.000 7.299 9.671) 12.116 26.958 ( 0.000 -0.892 -2.632) 2.779 27.475 ( 0.000 1.568 -7.355) 7.520 27.971 ( 0.000 -0.920 -4.392) 4.487 28.602 ( 0.000 0.344 3.502) 3.519 30.083 ( 0.000 0.623 2.823) 2.891 30.381 ( 0.000 0.714 -2.483) 2.584 31.214 ( 0.000 0.283 -3.245) 3.258 31.261 ( 0.000 -0.498 -1.354) 1.443 34.955 ( 0.000 -0.107 0.880) 0.887 36.209 ( 0.000 0.057 5.391) 5.392 44.659 ( 0.000 -0.100 -0.844) 0.850 ======================= Grid point 144 (44/186) ======================= q-point: ( 0.09 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.413 ( 22.707 17.709 59.758) 66.334 5.651 ( 22.419 9.625 82.031) 85.582 7.967 ( 2.752 -2.025 3.622) 4.979 8.297 ( 35.414 10.275 90.413) 97.644 8.851 ( 13.046 -9.513 -14.619) 21.782 8.952 ( 19.825 -0.314 -10.164) 22.280 10.420 ( 1.913 6.396 24.713) 25.599 12.253 ( -2.181 -4.169 -25.248) 25.683 13.347 ( 1.337 -5.814 -44.810) 45.205 13.867 ( -7.156 -8.229 1.536) 11.013 14.725 ( -13.159 3.054 -22.843) 26.539 15.182 ( -3.924 -0.856 1.695) 4.359 15.392 ( -2.007 0.862 -3.142) 3.827 15.889 ( -3.983 -0.353 10.928) 11.637 16.385 ( 9.213 3.403 36.170) 37.480 16.778 ( 12.227 3.359 22.338) 25.686 17.848 ( -5.365 0.848 6.394) 8.390 18.089 ( -3.021 1.962 -18.858) 19.199 18.266 ( 7.057 7.506 -2.855) 10.691 19.107 ( -1.507 -6.252 -0.533) 6.454 19.723 ( -6.402 3.769 12.637) 14.659 20.365 ( -0.638 -8.778 -23.561) 25.151 20.391 ( -10.701 -1.176 -23.227) 25.600 20.909 ( -18.215 -5.455 15.200) 24.343 21.636 ( 13.484 -11.516 -8.157) 19.518 21.893 ( -9.480 4.956 -5.313) 11.944 22.135 ( -13.309 11.045 -9.066) 19.527 22.555 ( 1.328 5.087 1.047) 5.361 22.656 ( -1.798 -0.290 -10.289) 10.449 22.887 ( 0.714 5.431 9.215) 10.720 23.326 ( 0.438 -1.577 -15.888) 15.972 24.012 ( -4.174 -0.455 0.527) 4.232 24.455 ( -0.315 -14.114 8.883) 16.680 24.682 ( -9.651 0.876 9.965) 13.900 25.221 ( 11.814 3.493 3.459) 12.796 25.434 ( 1.705 -1.490 -10.467) 10.709 26.232 ( 6.492 5.135 8.373) 11.774 27.022 ( 6.795 -0.807 -4.554) 8.220 27.440 ( -2.801 1.158 -5.110) 5.941 27.958 ( -1.310 -0.609 -4.662) 4.881 28.614 ( 1.244 0.429 3.469) 3.710 30.099 ( 1.564 0.604 2.607) 3.099 30.373 ( -2.093 0.715 -1.444) 2.642 30.578 ( -29.786 0.059 -4.629) 30.144 31.944 ( 35.903 -0.183 -0.948) 35.916 34.914 ( -3.967 0.000 1.595) 4.275 36.176 ( -3.362 0.054 5.099) 6.108 44.661 ( 0.170 -0.095 -1.106) 1.123 ======================= Grid point 145 (45/186) ======================= q-point: ( 0.18 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.026 ( 39.111 14.758 49.730) 64.966 6.312 ( 44.306 8.588 61.605) 76.367 8.034 ( 4.146 -1.533 0.994) 4.531 8.922 ( 24.114 -1.804 18.091) 30.200 9.123 ( 14.952 -7.908 -18.995) 25.434 9.625 ( 41.845 6.117 29.856) 51.767 10.576 ( 19.947 8.343 43.142) 48.257 12.183 ( -5.283 -5.149 -29.336) 30.249 13.429 ( 7.781 -6.180 -27.617) 29.350 13.642 ( -14.743 -4.365 7.547) 17.128 14.498 ( -9.633 0.833 -28.871) 30.447 14.975 ( -17.081 2.775 15.325) 23.116 15.309 ( -5.681 -2.429 0.003) 6.179 15.877 ( 2.665 -0.414 7.391) 7.867 16.582 ( 10.320 4.871 27.881) 30.126 17.090 ( 18.655 -0.728 22.539) 29.266 17.679 ( -10.274 1.445 3.223) 10.864 17.961 ( -9.040 6.510 -9.965) 14.947 18.515 ( 13.503 2.149 0.629) 13.687 19.091 ( 2.206 -4.325 0.769) 4.915 19.438 ( -23.528 -2.547 -1.718) 23.728 20.074 ( -15.023 2.700 -5.092) 16.090 20.361 ( -10.173 -0.339 -1.818) 10.340 20.663 ( -1.665 -8.447 -5.079) 9.996 21.414 ( -29.372 -0.225 -11.891) 31.688 21.859 ( 7.944 -9.296 -11.967) 17.110 22.098 ( 0.863 10.242 -19.964) 22.454 22.544 ( -5.353 1.139 -3.271) 6.376 22.661 ( 4.451 2.937 0.658) 5.373 22.802 ( -7.078 3.452 0.936) 7.931 23.374 ( 3.005 -1.712 -10.475) 11.031 23.916 ( -5.685 -0.500 -1.478) 5.895 24.401 ( -5.451 -6.789 7.174) 11.282 24.477 ( -11.017 0.684 6.452) 12.785 25.322 ( 1.780 -7.524 -0.252) 7.736 25.560 ( 7.895 9.170 -1.643) 12.211 26.358 ( 4.372 0.732 7.761) 8.937 27.207 ( 9.546 -0.622 -8.678) 12.916 27.439 ( 6.148 0.589 -0.487) 6.195 27.921 ( -2.420 0.035 -5.238) 5.770 28.654 ( 3.182 0.530 3.701) 4.910 30.002 ( -23.739 0.187 -2.971) 23.925 30.143 ( 2.517 0.826 2.007) 3.324 30.402 ( -0.077 0.580 -3.545) 3.593 32.605 ( 31.529 -0.208 0.075) 31.529 34.811 ( -6.461 0.121 3.014) 7.130 36.085 ( -5.728 0.062 4.302) 7.164 44.666 ( 0.289 -0.083 -1.815) 1.840 ======================= Grid point 146 (46/186) ======================= q-point: ( 0.27 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.874 ( 46.816 11.117 39.054) 61.972 7.274 ( 51.727 5.314 36.916) 63.771 8.126 ( 5.347 -0.802 2.085) 5.795 9.290 ( 14.639 -6.465 0.638) 16.015 9.376 ( 9.824 -5.336 -5.028) 12.258 10.151 ( 15.390 9.920 11.568) 21.658 11.378 ( 53.301 5.838 49.515) 72.985 12.041 ( -8.573 -3.298 -31.422) 32.737 13.339 ( -11.485 -3.914 1.591) 12.237 13.697 ( 15.092 -5.485 -0.253) 16.060 14.329 ( -7.524 -0.523 -26.829) 27.869 14.593 ( -18.730 3.811 18.560) 26.642 15.210 ( -3.929 -2.948 -0.861) 4.987 15.953 ( 4.336 -1.076 8.414) 9.526 16.759 ( 7.258 4.362 24.728) 26.138 17.371 ( 2.465 2.740 15.836) 16.259 17.557 ( -1.651 -4.707 8.093) 9.507 17.742 ( -8.831 9.958 12.441) 18.219 18.579 ( -7.396 -4.109 -0.404) 8.470 18.954 ( -19.809 0.407 -15.485) 25.147 19.318 ( 18.875 -1.051 4.841) 19.514 19.784 ( -16.231 -0.858 3.768) 16.685 20.083 ( -12.824 -0.529 6.309) 14.302 20.736 ( -1.354 -3.597 -20.289) 20.650 20.846 ( -22.931 3.058 -19.105) 30.003 21.950 ( 1.343 -6.752 -12.463) 14.237 22.088 ( -1.708 2.844 -21.711) 21.963 22.384 ( -10.597 -0.199 1.152) 10.661 22.646 ( -6.230 1.365 -1.825) 6.634 22.791 ( 5.765 4.782 4.830) 8.912 23.412 ( 1.122 -3.856 -9.951) 10.731 23.765 ( -10.672 -1.364 -1.071) 10.812 24.228 ( -11.003 -3.169 -0.229) 11.453 24.338 ( -2.433 6.092 -1.846) 6.815 25.373 ( 3.504 -11.892 1.256) 12.461 25.675 ( 4.098 9.196 -1.846) 10.235 26.370 ( -2.285 -0.328 9.461) 9.739 27.317 ( 4.068 0.217 -5.736) 7.035 27.691 ( 13.758 -1.693 -2.889) 14.160 27.875 ( -1.460 2.019 -5.726) 6.245 28.760 ( 8.432 0.336 4.186) 9.420 29.623 ( -15.197 0.516 -3.095) 15.518 30.198 ( 2.948 0.757 1.303) 3.311 30.405 ( 0.316 0.560 -2.919) 2.989 33.147 ( 24.009 -0.210 0.933) 24.028 34.672 ( -7.519 0.118 4.708) 8.872 35.967 ( -6.138 0.090 3.137) 6.894 44.672 ( 0.314 -0.067 -2.751) 2.770 ======================= Grid point 147 (47/186) ======================= q-point: ( 0.36 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.773 ( 43.520 7.326 29.050) 52.835 8.157 ( 28.797 -4.416 10.887) 31.101 8.286 ( 19.178 4.680 6.417) 20.758 9.404 ( -4.786 -7.985 8.028) 12.293 9.522 ( 5.213 1.717 7.056) 8.939 10.478 ( 21.992 9.441 18.945) 30.524 11.772 ( -9.130 -7.456 -15.754) 19.676 12.277 ( 20.180 12.760 12.749) 27.066 13.233 ( 0.575 -4.151 -17.273) 17.774 13.813 ( 1.224 -13.473 10.399) 17.063 14.155 ( -13.704 4.973 -25.358) 29.250 14.656 ( 29.481 0.329 34.880) 45.671 15.162 ( -1.171 -0.801 -3.485) 3.763 16.033 ( 3.796 0.841 9.981) 10.712 16.847 ( 1.434 -1.641 23.580) 23.680 17.060 ( -33.895 2.787 18.520) 38.725 17.380 ( 0.376 13.215 10.773) 17.054 17.917 ( 10.311 -6.836 22.299) 25.501 18.418 ( -4.083 -2.963 4.117) 6.512 18.758 ( -2.516 6.203 -21.061) 22.099 19.421 ( -19.605 -7.356 1.477) 20.991 19.501 ( -6.172 -1.204 7.567) 9.838 20.109 ( 13.005 -1.869 -3.492) 13.595 20.194 ( -25.753 1.474 -19.655) 32.430 20.894 ( 5.508 6.426 -13.541) 15.969 21.926 ( -3.197 -2.352 -15.267) 15.774 22.022 ( -6.374 -7.135 -7.900) 12.407 22.155 ( -11.063 2.028 -1.245) 11.316 22.539 ( -4.548 1.697 -5.328) 7.207 22.901 ( 5.623 2.972 6.697) 9.236 23.443 ( 1.648 -4.106 -13.365) 14.079 23.515 ( -12.846 -0.599 -0.478) 12.868 24.043 ( -7.797 -8.115 -10.926) 15.685 24.343 ( 1.872 13.425 -6.911) 15.214 25.446 ( 3.677 -8.418 2.008) 9.403 25.725 ( 1.177 -0.469 -3.351) 3.583 26.317 ( -2.310 3.075 11.534) 12.158 27.395 ( 3.661 0.783 -7.770) 8.624 27.775 ( -1.860 -4.140 -4.919) 6.693 27.943 ( 5.077 4.429 -1.431) 6.888 28.981 ( 13.026 -0.066 3.244) 13.424 29.404 ( -7.822 0.645 -2.216) 8.155 30.250 ( 2.289 0.836 0.634) 2.518 30.412 ( 0.278 0.546 -2.620) 2.690 33.524 ( 14.698 -0.190 1.505) 14.776 34.532 ( -6.512 0.034 6.507) 9.206 35.861 ( -4.442 0.125 1.934) 4.846 44.677 ( 0.237 -0.052 -3.618) 3.626 ======================= Grid point 148 (48/186) ======================= q-point: ( 0.45 0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.420 ( 18.696 4.341 18.869) 26.915 8.472 ( 17.288 -5.542 4.105) 18.613 8.738 ( 11.657 -2.661 -2.670) 12.252 9.147 ( -17.333 2.552 20.556) 27.009 9.557 ( -0.250 3.209 14.593) 14.944 11.020 ( 29.417 7.997 31.110) 43.557 11.599 ( -9.486 -10.543 -7.243) 15.925 12.190 ( -17.017 18.261 4.475) 25.359 13.320 ( 6.266 -9.599 -43.220) 44.714 13.818 ( -8.736 -4.158 -24.345) 26.197 14.127 ( 13.339 -8.423 16.602) 22.903 15.147 ( 2.454 1.283 -2.454) 3.700 15.231 ( 16.228 2.477 35.777) 39.363 16.066 ( -2.419 4.770 3.416) 6.346 16.504 ( -13.145 3.251 28.972) 31.981 16.871 ( -0.249 -5.280 22.945) 23.546 17.439 ( 3.535 15.177 7.856) 17.452 17.946 ( -3.137 -5.062 17.779) 18.750 18.490 ( 7.137 1.290 21.482) 22.673 18.694 ( -7.877 3.966 -8.752) 12.425 19.146 ( -3.188 -15.462 -18.183) 24.080 19.326 ( -7.273 -1.723 0.330) 7.482 19.658 ( -17.957 3.344 -10.114) 20.879 20.551 ( 17.351 -1.368 -4.708) 18.030 20.962 ( 1.064 10.053 -12.245) 15.879 21.776 ( -10.388 -2.771 12.068) 16.162 21.900 ( -2.250 -2.973 -13.845) 14.339 22.043 ( -2.036 -2.762 -14.969) 15.357 22.476 ( -1.761 1.515 -6.645) 7.039 23.016 ( 5.880 1.913 5.755) 8.447 23.257 ( -9.872 -0.317 3.485) 10.473 23.525 ( 3.176 -0.971 -20.434) 20.702 23.927 ( -3.766 -13.230 -16.727) 21.657 24.377 ( 1.132 16.113 -8.647) 18.322 25.502 ( 1.736 -1.464 1.240) 2.587 25.730 ( -0.233 -12.515 -2.758) 12.818 26.291 ( -0.520 7.129 11.938) 13.914 27.447 ( 1.503 1.413 -11.182) 11.371 27.740 ( -1.152 -4.142 -4.889) 6.511 27.994 ( 0.890 4.013 2.479) 4.801 29.195 ( 7.878 -0.061 1.292) 7.984 29.296 ( -4.047 0.460 -0.856) 4.162 30.282 ( 0.865 0.931 0.231) 1.292 30.415 ( 0.112 0.556 -2.469) 2.533 33.714 ( 4.886 -0.165 1.734) 5.187 34.439 ( -2.681 -0.048 7.764) 8.214 35.802 ( -1.560 0.148 1.185) 1.964 44.680 ( 0.088 -0.043 -4.135) 4.136 ======================= Grid point 154 (49/186) ======================= q-point: ( 0.00 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.355 ( 0.000 19.320 39.610) 44.071 6.902 ( 0.000 7.984 57.698) 58.248 7.933 ( 0.000 -0.000 -1.098) 1.098 8.115 ( 0.000 -11.330 -22.030) 24.773 8.871 ( 0.000 1.998 22.894) 22.981 9.643 ( 0.000 7.678 52.856) 53.411 11.188 ( 0.000 11.399 60.931) 61.988 11.856 ( 0.000 -0.839 -19.897) 19.914 12.260 ( 0.000 -11.536 -57.678) 58.820 13.698 ( 0.000 0.095 -17.618) 17.618 14.738 ( 0.000 -2.425 0.528) 2.482 14.958 ( 0.000 -5.842 -10.622) 12.122 15.319 ( 0.000 9.585 -10.481) 14.203 16.110 ( 0.000 2.570 1.460) 2.955 16.870 ( 0.000 -13.027 14.747) 19.677 17.147 ( 0.000 8.210 42.312) 43.101 17.710 ( 0.000 -1.731 -18.376) 18.458 18.179 ( 0.000 2.193 16.844) 16.986 18.400 ( 0.000 19.358 6.206) 20.328 19.028 ( 0.000 -13.157 2.655) 13.422 19.535 ( 0.000 -35.828 -29.837) 46.625 19.720 ( 0.000 -2.619 -47.210) 47.282 20.322 ( 0.000 13.178 20.528) 24.394 20.996 ( 0.000 -4.489 -12.005) 12.817 21.688 ( 0.000 -0.758 24.733) 24.744 21.784 ( 0.000 23.197 -18.667) 29.775 22.392 ( 0.000 -0.156 -15.277) 15.277 22.465 ( 0.000 -3.477 3.720) 5.093 22.847 ( 0.000 16.801 1.428) 16.862 22.889 ( 0.000 -3.560 -17.885) 18.236 23.195 ( 0.000 2.455 14.013) 14.227 24.094 ( 0.000 0.335 2.204) 2.230 24.382 ( 0.000 -23.257 9.378) 25.076 25.006 ( 0.000 2.905 7.439) 7.987 25.019 ( 0.000 -2.850 -1.560) 3.249 25.242 ( 0.000 1.124 -7.806) 7.886 26.415 ( 0.000 7.753 8.199) 11.284 26.890 ( 0.000 -1.224 -3.398) 3.612 27.376 ( 0.000 1.045 -4.793) 4.906 27.880 ( 0.000 -1.251 -4.145) 4.330 28.658 ( 0.000 0.309 2.256) 2.277 30.156 ( 0.000 0.611 4.440) 4.482 30.338 ( 0.000 0.687 -3.115) 3.190 31.174 ( 0.000 0.271 -1.504) 1.529 31.237 ( 0.000 -0.425 -0.821) 0.925 34.968 ( 0.000 -0.028 0.651) 0.652 36.290 ( 0.000 0.064 3.347) 3.348 44.645 ( 0.000 -0.100 -0.617) 0.625 ======================= Grid point 155 (50/186) ======================= q-point: ( 0.09 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.513 ( 16.085 18.486 37.830) 45.073 7.032 ( 13.088 8.902 54.906) 57.143 7.928 ( 0.872 -1.789 -5.533) 5.880 8.269 ( 14.207 -9.929 -15.441) 23.213 8.936 ( 7.174 0.987 21.441) 22.630 9.802 ( 14.782 6.431 34.156) 37.769 11.215 ( 3.932 8.679 42.356) 43.415 11.804 ( -4.905 -2.416 -21.561) 22.244 12.537 ( 26.676 -7.051 -22.963) 35.897 13.695 ( -0.440 0.569 -15.895) 15.911 14.500 ( -18.128 -2.026 -2.635) 18.431 15.082 ( 7.397 -2.870 -6.652) 10.353 15.325 ( -1.143 5.548 -6.861) 8.897 16.068 ( -3.408 2.545 2.641) 5.007 16.964 ( 9.322 -12.980 12.790) 20.469 17.161 ( 1.654 8.594 38.512) 39.494 17.675 ( -3.341 -1.310 -16.373) 16.762 18.170 ( -2.594 8.661 12.153) 15.147 18.460 ( 7.448 11.670 10.175) 17.181 19.012 ( -1.196 -12.450 2.098) 12.682 19.457 ( -9.588 -20.335 -36.815) 43.137 19.732 ( 2.694 -15.399 -35.941) 39.193 20.310 ( -1.287 12.411 18.745) 22.518 20.865 ( -12.443 -7.095 -5.107) 15.207 21.626 ( -2.150 16.111 -1.995) 16.376 21.859 ( -0.631 2.520 -1.133) 2.834 22.232 ( -25.603 1.637 3.535) 25.897 22.453 ( 1.544 2.886 -11.966) 12.405 22.637 ( -2.883 7.159 -3.084) 8.311 22.819 ( -8.271 1.126 -14.531) 16.758 23.278 ( 5.155 2.569 7.742) 9.650 24.017 ( -6.485 -1.873 1.272) 6.869 24.424 ( 2.507 -18.275 8.911) 20.486 24.849 ( -8.983 -1.131 7.300) 11.631 25.196 ( -3.869 -1.398 -8.272) 9.239 25.384 ( 24.182 4.210 4.381) 24.934 26.418 ( 0.789 5.581 5.409) 7.812 26.923 ( 3.473 -1.256 -4.933) 6.162 27.388 ( 1.673 1.232 -1.821) 2.762 27.864 ( -1.598 -1.022 -4.587) 4.964 28.670 ( 1.280 0.360 2.226) 2.593 30.167 ( 1.061 0.557 4.187) 4.355 30.342 ( 0.310 0.674 -2.928) 3.020 30.521 ( -32.521 0.133 -1.778) 32.570 31.929 ( 36.680 -0.155 -0.538) 36.684 34.937 ( -3.051 0.019 0.988) 3.207 36.253 ( -3.774 0.061 3.187) 4.940 44.643 ( -0.214 -0.096 -0.776) 0.811 ======================= Grid point 156 (51/186) ======================= q-point: ( 0.18 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.962 ( 29.366 16.456 32.979) 47.125 7.388 ( 22.631 8.475 42.431) 48.830 7.983 ( 4.766 -1.892 -6.406) 8.205 8.633 ( 22.714 -9.916 -8.797) 26.299 9.150 ( 14.210 -0.166 14.801) 20.518 10.139 ( 18.263 5.419 15.128) 24.326 11.401 ( 16.753 4.059 13.513) 21.903 11.669 ( -8.931 -3.254 -22.990) 24.878 13.182 ( 33.199 -4.732 19.794) 38.941 13.690 ( 3.071 3.270 -2.519) 5.145 14.138 ( -17.541 1.849 -8.823) 19.722 15.129 ( -6.825 -1.136 3.989) 7.986 15.248 ( -4.220 -0.714 -5.469) 6.945 16.050 ( 3.398 1.747 7.922) 8.796 17.140 ( 4.919 -0.598 11.159) 12.210 17.272 ( 11.690 -3.075 25.709) 28.409 17.602 ( -2.852 0.868 -12.848) 13.190 18.087 ( -4.584 13.987 10.035) 17.814 18.621 ( 4.056 -0.837 7.859) 8.884 19.050 ( 7.688 -8.220 3.216) 11.706 19.166 ( -18.283 -5.670 -28.404) 34.252 19.808 ( 3.419 -21.050 -25.995) 33.624 20.269 ( -3.081 9.507 10.741) 14.671 20.573 ( -16.049 -8.628 1.691) 18.299 21.309 ( -39.566 0.979 -4.344) 39.815 21.684 ( -1.373 12.718 -7.268) 14.713 21.926 ( -6.095 8.339 -13.463) 16.968 22.464 ( -1.312 0.075 -5.260) 5.421 22.599 ( -10.008 -0.626 -16.013) 18.893 22.772 ( 9.042 5.705 2.318) 10.940 23.347 ( 1.697 0.511 3.901) 4.285 23.879 ( -7.494 -2.605 -0.990) 7.996 24.421 ( -3.277 -7.142 4.733) 9.173 24.610 ( -15.922 0.082 6.985) 17.387 25.150 ( 0.512 -9.762 -5.243) 11.093 25.755 ( 10.460 9.434 8.092) 16.245 26.470 ( 4.646 0.360 4.399) 6.408 27.028 ( 7.049 -1.331 -9.727) 12.086 27.476 ( 8.373 1.310 3.327) 9.105 27.821 ( -2.594 -0.328 -5.615) 6.194 28.713 ( 3.372 0.421 2.224) 4.061 29.961 ( -24.094 0.148 -1.720) 24.156 30.200 ( 1.802 0.700 3.320) 3.842 30.353 ( 0.646 0.678 -2.630) 2.792 32.604 ( 32.201 -0.162 -0.004) 32.201 34.855 ( -5.242 0.083 1.800) 5.543 36.151 ( -6.468 0.061 2.734) 7.023 44.637 ( -0.364 -0.084 -1.207) 1.264 ======================= Grid point 157 (52/186) ======================= q-point: ( 0.27 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.611 ( 36.229 13.412 26.467) 46.828 7.851 ( 22.581 1.504 18.018) 28.928 8.118 ( 10.006 1.629 -2.462) 10.432 9.120 ( 26.300 -7.985 0.044) 27.485 9.447 ( 15.251 -0.917 11.424) 19.077 10.480 ( 17.506 6.183 16.026) 24.526 11.465 ( -11.092 -2.771 -26.497) 28.858 11.888 ( 32.034 1.208 -5.472) 32.520 13.308 ( -13.286 -4.281 2.587) 14.196 13.809 ( -11.635 1.317 -5.819) 13.075 14.213 ( 30.576 9.224 31.330) 44.738 14.866 ( -10.632 -7.167 10.532) 16.593 15.189 ( -2.461 0.827 -1.522) 3.009 16.201 ( 10.930 0.119 21.166) 23.822 17.194 ( 0.432 5.757 8.854) 10.570 17.395 ( -0.526 -5.568 -2.418) 6.093 17.691 ( 10.435 4.175 8.651) 14.183 18.041 ( 0.976 10.286 9.220) 13.848 18.511 ( -14.959 -8.672 -2.208) 17.432 18.736 ( -18.980 -2.927 -8.435) 20.976 19.417 ( 23.443 -1.873 8.178) 24.899 19.790 ( -6.494 -10.935 -8.056) 15.055 20.128 ( -13.298 1.795 -0.131) 13.420 20.285 ( -19.152 -9.113 -11.129) 23.952 20.641 ( -16.423 3.073 -8.259) 18.637 21.671 ( -1.647 6.225 -14.331) 15.712 21.814 ( -5.497 9.324 -16.080) 19.384 22.374 ( -8.738 -2.244 -12.640) 15.529 22.419 ( -7.124 -0.734 -7.555) 10.410 22.950 ( 7.643 3.989 6.529) 10.814 23.345 ( -1.486 -1.418 2.732) 3.418 23.715 ( -9.828 -3.474 -1.581) 10.543 24.228 ( -20.056 0.456 0.944) 20.084 24.361 ( -3.562 5.710 -2.612) 7.219 25.219 ( 5.771 -16.068 0.836) 17.094 25.805 ( -2.840 7.702 3.187) 8.806 26.553 ( 3.012 0.975 11.490) 11.918 27.156 ( 5.317 -0.578 -11.628) 12.798 27.674 ( 5.818 -2.325 2.056) 6.594 27.806 ( 5.442 2.911 -4.374) 7.564 28.818 ( 7.942 0.298 2.018) 8.200 29.587 ( -14.498 0.418 -1.407) 14.572 30.240 ( 2.143 0.552 2.429) 3.286 30.367 ( 0.724 0.713 -2.104) 2.337 33.158 ( 24.542 -0.150 0.443) 24.546 34.742 ( -6.167 0.077 2.835) 6.788 36.015 ( -7.065 0.075 2.063) 7.360 44.629 ( -0.405 -0.069 -1.778) 1.825 ======================= Grid point 158 (53/186) ======================= q-point: ( 0.36 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.294 ( 31.532 8.803 18.611) 37.658 8.169 ( 12.284 -5.023 -1.949) 13.414 8.404 ( 16.380 3.410 -0.071) 16.731 9.563 ( 15.414 -1.493 14.850) 21.456 9.699 ( 10.303 -1.609 12.505) 16.282 10.853 ( 20.274 0.709 14.429) 24.894 11.328 ( 1.772 3.498 -26.230) 26.521 12.498 ( 23.445 5.265 -6.121) 24.796 12.960 ( -20.205 -2.731 -5.204) 21.042 13.589 ( -10.435 -0.659 -9.301) 13.994 14.189 ( -14.732 -6.537 14.109) 21.421 15.100 ( 5.774 0.116 5.336) 7.863 15.336 ( 29.980 3.037 22.017) 37.320 16.431 ( 10.863 3.143 37.267) 38.945 17.134 ( -5.785 -0.361 7.357) 9.366 17.286 ( -14.712 -0.326 1.705) 14.814 17.778 ( -0.146 18.674 13.038) 22.776 18.022 ( -3.387 -11.392 3.274) 12.327 18.372 ( 3.926 -1.380 -6.641) 7.837 18.516 ( -0.284 -4.133 -1.239) 4.324 19.511 ( -21.192 -5.376 6.161) 22.715 19.637 ( -13.793 -3.172 9.162) 16.860 19.829 ( -18.940 1.807 -14.961) 24.204 20.073 ( 19.275 -1.822 -1.966) 19.460 20.676 ( 9.679 1.638 -14.519) 17.526 21.616 ( -3.423 -0.740 -16.267) 16.640 21.715 ( -4.818 5.790 -17.931) 19.449 22.206 ( -8.509 -3.197 -15.582) 18.040 22.253 ( -9.603 -1.560 -3.289) 10.269 23.060 ( 4.277 2.699 6.377) 8.139 23.301 ( -3.015 -0.634 -0.143) 3.084 23.513 ( -10.006 -2.459 1.550) 10.419 23.848 ( -17.083 -2.881 -4.912) 18.007 24.343 ( 0.785 14.194 -10.415) 17.623 25.346 ( 6.790 -16.062 3.544) 17.795 25.712 ( -5.801 1.220 0.193) 5.931 26.591 ( 1.276 4.156 14.602) 15.236 27.231 ( 2.610 0.474 -11.251) 11.559 27.659 ( -2.666 -2.236 -4.120) 5.393 27.990 ( 7.967 2.348 2.030) 8.551 29.017 ( 11.541 0.058 1.049) 11.589 29.384 ( -6.904 0.505 -0.656) 6.954 30.278 ( 1.679 0.467 1.528) 2.318 30.380 ( 0.595 0.801 -1.596) 1.883 33.543 ( 15.006 -0.128 0.760) 15.025 34.627 ( -5.320 0.008 3.891) 6.591 35.893 ( -5.227 0.096 1.352) 5.400 44.622 ( -0.316 -0.055 -2.309) 2.331 ======================= Grid point 159 (54/186) ======================= q-point: ( 0.45 0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.717 ( 10.452 3.669 9.827) 14.808 8.420 ( 11.523 -4.118 -2.703) 12.532 8.629 ( 5.728 -0.897 -6.576) 8.767 9.650 ( -2.708 6.256 27.424) 28.259 9.830 ( 2.812 -1.157 13.772) 14.103 11.154 ( 9.518 -8.434 -9.659) 15.969 11.683 ( 29.011 9.817 1.370) 30.658 12.480 ( -21.986 15.641 -0.970) 27.000 12.618 ( -12.178 -1.983 -10.879) 16.450 13.450 ( -3.048 -4.820 -10.680) 12.107 14.161 ( 7.680 -20.549 7.445) 23.166 15.181 ( 4.976 5.227 1.755) 7.427 15.861 ( 21.552 6.371 16.762) 28.037 16.320 ( -25.024 8.287 25.045) 36.361 17.045 ( 2.460 -6.786 16.285) 17.813 17.124 ( 0.065 -2.871 23.589) 23.763 17.783 ( -0.242 17.991 4.614) 18.575 18.090 ( 9.223 -4.369 -4.990) 11.361 18.280 ( -7.714 -5.281 -9.846) 13.577 18.801 ( 17.908 -3.833 6.375) 19.391 19.073 ( -16.536 -7.547 17.839) 25.468 19.299 ( -17.740 -2.035 2.617) 18.047 19.577 ( -6.911 8.289 -5.231) 11.993 20.447 ( 12.536 -4.773 -3.905) 13.971 20.859 ( 6.758 9.706 -12.869) 17.478 21.567 ( -0.998 -1.664 -16.840) 16.951 21.644 ( -1.760 -3.938 -20.460) 20.910 21.992 ( -10.115 -5.834 5.106) 12.744 22.145 ( -2.259 0.849 -21.072) 21.209 23.133 ( 2.745 1.002 3.768) 4.769 23.252 ( -0.264 -0.189 -5.871) 5.880 23.341 ( -7.618 0.788 3.675) 8.495 23.625 ( -5.365 -5.629 -6.060) 9.859 24.362 ( 0.752 17.060 -13.859) 21.993 25.474 ( 6.363 -11.160 2.855) 13.160 25.596 ( -6.081 -6.819 1.085) 9.201 26.608 ( 0.470 6.115 14.941) 16.150 27.263 ( 0.802 1.034 -11.299) 11.374 27.619 ( -1.197 -2.123 -4.658) 5.257 28.083 ( 2.072 1.997 3.489) 4.522 29.203 ( 6.179 0.308 -0.114) 6.188 29.297 ( -2.603 0.130 0.242) 2.617 30.301 ( 0.639 0.431 0.973) 1.241 30.389 ( 0.245 0.890 -1.268) 1.569 33.737 ( 4.974 -0.110 0.919) 5.059 34.551 ( -2.189 -0.057 4.589) 5.085 35.823 ( -1.860 0.111 0.897) 2.068 44.618 ( -0.119 -0.046 -2.627) 2.630 ======================= Grid point 165 (55/186) ======================= q-point: ( 0.00 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.940 ( 0.000 15.693 5.279) 16.557 7.502 ( 0.000 -1.380 9.231) 9.334 7.856 ( 0.000 -15.684 8.665) 17.918 7.933 ( 0.000 1.414 0.077) 1.416 9.498 ( 0.000 4.814 24.033) 24.511 10.140 ( 0.000 0.783 8.298) 8.335 11.242 ( 0.000 -9.514 -27.402) 29.006 11.482 ( 0.000 2.931 -19.848) 20.063 12.358 ( 0.000 10.638 29.556) 31.412 13.356 ( 0.000 13.999 -28.251) 31.529 14.756 ( 0.000 -3.490 -7.300) 8.092 14.840 ( 0.000 -10.736 18.195) 21.126 15.390 ( 0.000 11.462 15.618) 19.373 15.991 ( 0.000 -9.174 -5.504) 10.698 17.046 ( 0.000 -2.919 5.012) 5.800 17.479 ( 0.000 -5.509 5.437) 7.740 17.855 ( 0.000 4.153 24.801) 25.146 18.505 ( 0.000 2.788 11.253) 11.593 18.525 ( 0.000 -15.612 -16.521) 22.731 18.711 ( 0.000 -2.155 -46.037) 46.087 18.870 ( 0.000 -2.132 3.077) 3.743 19.065 ( 0.000 -9.086 10.300) 13.735 20.779 ( 0.000 7.424 11.520) 13.705 20.825 ( 0.000 -0.314 -5.570) 5.579 21.764 ( 0.000 25.060 -13.736) 28.578 21.931 ( 0.000 2.083 -7.565) 7.847 22.218 ( 0.000 0.245 4.694) 4.700 22.470 ( 0.000 -3.136 1.307) 3.397 22.542 ( 0.000 -2.527 -10.198) 10.507 23.004 ( 0.000 18.547 -5.742) 19.415 23.444 ( 0.000 -1.692 9.340) 9.492 24.132 ( 0.000 0.500 0.698) 0.859 24.265 ( 0.000 -25.779 8.093) 27.019 24.911 ( 0.000 -2.638 -3.365) 4.276 25.126 ( 0.000 0.655 3.084) 3.152 25.198 ( 0.000 3.083 -2.268) 3.827 26.603 ( 0.000 3.645 5.237) 6.381 26.830 ( 0.000 0.074 -1.953) 1.954 27.355 ( 0.000 -0.390 2.554) 2.584 27.809 ( 0.000 -0.340 -2.479) 2.502 28.686 ( 0.000 -0.037 0.696) 0.697 30.235 ( 0.000 -0.574 2.432) 2.499 30.303 ( 0.000 0.566 0.169) 0.590 31.168 ( 0.000 -0.041 0.642) 0.643 31.221 ( 0.000 -0.012 -0.751) 0.752 34.976 ( 0.000 -0.113 0.284) 0.306 36.323 ( 0.000 -0.009 0.157) 0.157 44.637 ( 0.000 -0.003 -0.196) 0.196 ======================= Grid point 166 (56/186) ======================= q-point: ( 0.09 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.085 ( 14.733 15.255 5.842) 21.998 7.610 ( 9.887 -1.091 7.595) 12.515 7.788 ( -0.701 -6.171 1.951) 6.510 8.158 ( 16.952 -7.258 6.769) 19.643 9.569 ( 3.527 4.374 28.222) 28.776 10.052 ( -0.642 0.490 -2.367) 2.501 11.137 ( -4.628 -6.390 -17.489) 19.186 11.472 ( -3.374 1.548 -14.728) 15.188 12.876 ( 43.917 8.462 18.000) 48.211 13.379 ( 2.938 14.210 -27.105) 30.745 14.511 ( -16.073 -6.330 5.936) 18.266 15.011 ( 8.906 -6.168 4.907) 11.893 15.426 ( 1.234 9.249 18.322) 20.561 15.957 ( -1.264 -9.129 -5.215) 10.590 17.114 ( 6.453 -2.846 3.206) 7.748 17.441 ( -3.199 -3.798 6.435) 8.128 17.855 ( -0.350 4.438 24.065) 24.474 18.394 ( -6.358 -5.991 -12.110) 14.932 18.629 ( -0.844 0.074 -23.954) 23.969 18.692 ( 3.291 -5.601 -4.250) 7.763 18.892 ( 3.805 -6.577 -0.499) 7.615 19.064 ( 0.350 -9.379 3.205) 9.918 20.707 ( -9.263 0.231 -0.958) 9.315 20.778 ( -2.350 5.275 8.007) 9.872 21.711 ( -6.604 22.046 -10.999) 25.507 21.872 ( -6.228 2.493 -5.982) 8.988 22.190 ( -24.670 0.513 -5.847) 25.359 22.303 ( 1.432 0.170 -3.778) 4.044 22.574 ( 4.341 -2.072 2.699) 5.515 22.822 ( -11.957 14.182 -3.733) 18.922 23.409 ( -0.810 0.513 3.526) 3.654 23.993 ( -9.386 -6.224 0.312) 11.266 24.389 ( 7.049 -15.608 8.483) 19.112 24.862 ( -4.587 -3.719 -1.417) 6.073 25.104 ( -8.848 2.528 -2.831) 9.628 25.502 ( 30.467 1.015 3.951) 30.739 26.541 ( -5.411 3.104 3.098) 6.965 26.841 ( 1.279 -0.126 -2.633) 2.930 27.412 ( 5.620 0.019 3.543) 6.643 27.787 ( -2.138 -0.259 -2.666) 3.427 28.699 ( 1.352 -0.052 0.810) 1.577 30.241 ( 0.621 -0.570 2.248) 2.401 30.306 ( -0.167 0.536 0.156) 0.582 30.513 ( -31.717 -0.036 0.519) 31.721 31.921 ( 36.884 0.016 -0.319) 36.886 34.949 ( -2.711 -0.106 0.324) 2.732 36.284 ( -3.924 -0.011 0.156) 3.927 44.633 ( -0.351 -0.003 -0.188) 0.398 ======================= Grid point 167 (57/186) ======================= q-point: ( 0.18 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.491 ( 26.284 14.058 6.781) 30.568 7.765 ( 4.424 -3.887 -3.124) 6.666 7.907 ( 12.691 1.254 5.760) 13.993 8.565 ( 25.104 -9.122 8.668) 28.081 9.560 ( 0.280 0.783 15.687) 15.709 10.356 ( 28.436 3.210 7.491) 29.581 11.111 ( 0.911 -4.857 -18.826) 19.464 11.367 ( -5.452 -0.508 -9.027) 10.558 13.337 ( 0.353 13.138 -18.305) 22.534 13.902 ( 46.727 6.969 3.446) 47.369 14.193 ( -13.666 -3.557 10.095) 17.359 15.125 ( 1.143 -3.224 -2.096) 4.012 15.315 ( -12.704 -0.649 18.528) 22.474 16.083 ( 15.734 -4.760 4.335) 17.000 17.228 ( 2.481 -3.907 0.201) 4.633 17.420 ( 2.978 2.850 6.802) 7.953 17.839 ( -0.348 5.454 21.514) 22.198 18.275 ( -5.417 -5.982 -19.962) 21.532 18.487 ( -10.098 3.461 -15.570) 18.878 18.759 ( 0.205 -11.940 13.337) 17.902 19.040 ( 5.547 -12.405 -14.246) 19.688 19.159 ( 15.186 -4.837 2.593) 16.147 20.462 ( -15.089 -2.760 -1.997) 15.469 20.715 ( -5.411 6.260 12.503) 14.993 21.198 ( -44.642 0.976 -6.174) 45.077 21.709 ( -9.717 4.617 -5.743) 12.195 21.849 ( -4.145 22.795 -11.719) 25.964 22.364 ( 0.217 -1.262 -3.992) 4.193 22.431 ( -14.764 1.628 -1.086) 14.893 22.862 ( 11.364 4.264 0.000) 12.138 23.405 ( -0.519 1.580 0.437) 1.720 23.809 ( -9.352 -6.022 -1.679) 11.249 24.446 ( -2.497 -3.324 5.106) 6.584 24.701 ( -14.809 -1.706 3.846) 15.395 24.967 ( -0.212 -8.201 -3.251) 8.825 25.977 ( 9.694 3.514 7.158) 12.552 26.520 ( 9.190 0.536 -0.499) 9.219 26.875 ( 1.980 -0.247 -3.951) 4.426 27.568 ( 10.593 0.484 4.488) 11.515 27.730 ( -3.605 -0.046 -3.183) 4.809 28.742 ( 3.320 -0.055 0.908) 3.443 29.950 ( -23.698 -0.089 0.533) 23.704 30.261 ( 1.116 -0.582 2.354) 2.670 30.333 ( 0.991 0.567 0.420) 1.217 32.599 ( 32.409 0.058 -0.426) 32.411 34.875 ( -4.774 -0.095 0.378) 4.790 36.178 ( -6.731 -0.017 0.165) 6.733 44.624 ( -0.598 -0.002 -0.167) 0.621 ======================= Grid point 168 (58/186) ======================= q-point: ( 0.27 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.064 ( 31.349 12.093 7.141) 34.351 7.854 ( 5.569 -3.989 -5.878) 9.027 8.167 ( 12.975 3.168 0.327) 13.360 9.137 ( 33.581 -7.072 9.019) 35.483 9.664 ( 9.522 -2.146 7.854) 12.528 10.891 ( 14.151 2.701 14.939) 20.754 11.050 ( -2.846 4.340 -10.982) 12.146 11.525 ( 27.858 -8.788 -17.301) 33.950 13.268 ( -7.169 11.809 -13.088) 19.029 13.826 ( -17.221 -0.868 8.113) 19.056 14.795 ( 8.467 1.785 4.734) 9.863 14.900 ( 4.909 -2.608 1.069) 5.660 15.203 ( 2.039 -1.319 8.119) 8.475 16.498 ( 24.200 -4.605 3.936) 24.947 17.254 ( 2.122 2.345 8.550) 9.117 17.431 ( -4.306 7.087 6.834) 10.746 17.947 ( 12.331 1.404 11.486) 16.910 18.168 ( -8.145 -7.584 -20.300) 23.150 18.286 ( -7.785 4.561 1.810) 9.203 18.711 ( -5.911 -6.324 16.986) 19.065 19.121 ( 4.158 -22.115 -25.569) 34.061 19.564 ( 22.668 -1.995 4.282) 23.155 20.145 ( -17.222 -2.853 0.074) 17.457 20.221 ( -39.907 0.709 -0.904) 39.923 20.703 ( -4.817 5.864 8.211) 11.181 21.526 ( -8.659 4.794 -7.897) 12.662 21.791 ( -4.869 22.698 -8.785) 24.821 22.063 ( -18.307 -1.240 -9.119) 20.491 22.377 ( -2.001 -2.904 -1.029) 3.674 23.070 ( 8.457 2.572 1.698) 9.001 23.376 ( -2.221 0.688 0.124) 2.328 23.632 ( -8.600 -5.200 -2.073) 10.261 24.237 ( -21.664 1.874 -1.926) 21.830 24.414 ( -8.011 7.649 1.315) 11.153 25.075 ( 8.629 -17.133 3.993) 19.594 25.913 ( -9.338 3.102 2.019) 10.045 26.800 ( 11.896 1.610 11.867) 16.880 26.919 ( 3.377 -1.010 -11.350) 11.884 27.652 ( -4.042 0.148 -3.384) 5.274 27.821 ( 14.201 0.310 3.774) 14.697 28.841 ( 7.268 0.051 0.446) 7.282 29.585 ( -13.952 -0.116 1.096) 13.996 30.285 ( 1.286 -0.617 1.983) 2.443 30.356 ( 1.303 0.576 0.627) 1.557 33.158 ( 24.732 0.090 -0.466) 24.736 34.771 ( -5.713 -0.088 0.333) 5.724 36.037 ( -7.381 -0.030 0.211) 7.384 44.611 ( -0.663 -0.002 -0.138) 0.677 ======================= Grid point 169 (59/186) ======================= q-point: ( 0.36 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.622 ( 22.601 7.987 7.154) 25.016 8.012 ( 12.230 -2.843 -9.200) 15.566 8.386 ( 9.227 2.641 -4.284) 10.510 9.785 ( 23.537 -0.955 6.697) 24.490 9.899 ( 19.437 -2.152 12.161) 23.028 10.740 ( -10.445 -1.932 -19.109) 21.863 11.295 ( 15.867 1.126 13.278) 20.721 12.213 ( 31.876 -1.413 -12.914) 34.421 13.065 ( -11.663 8.071 2.727) 14.443 13.545 ( -10.683 1.748 1.883) 10.987 14.289 ( -27.644 -11.137 7.840) 30.817 15.155 ( 3.475 0.570 0.635) 3.578 15.594 ( 27.595 5.395 1.612) 28.163 16.908 ( 14.526 -2.824 -19.699) 24.638 17.200 ( -7.021 1.759 0.750) 7.277 17.399 ( -2.428 2.879 38.624) 38.807 17.844 ( -17.236 -0.235 -8.060) 19.029 18.180 ( -1.645 -0.070 -5.750) 5.981 18.349 ( 18.934 3.816 7.709) 20.796 18.506 ( -11.104 -5.380 17.310) 21.258 19.187 ( 2.328 -20.541 -16.797) 26.636 19.693 ( -11.346 3.003 -3.304) 12.193 19.759 ( -12.359 -2.393 -1.269) 12.653 20.037 ( 12.731 -4.234 3.618) 13.896 20.704 ( 5.823 8.458 10.818) 14.916 21.385 ( -6.100 2.452 -9.131) 11.251 21.537 ( -18.304 5.387 -9.931) 21.510 21.838 ( -6.417 7.744 -15.114) 18.154 22.292 ( -6.515 -4.010 3.279) 8.323 23.158 ( 0.752 1.229 2.363) 2.768 23.316 ( -4.253 -1.016 0.355) 4.387 23.518 ( -2.113 -1.690 0.465) 2.745 23.772 ( -23.024 -0.152 -1.841) 23.098 24.327 ( -2.379 16.189 -8.736) 18.549 25.248 ( 8.625 -17.696 6.854) 20.845 25.727 ( -8.984 0.563 0.086) 9.002 26.895 ( 1.287 2.101 10.638) 10.919 27.029 ( 5.364 -0.039 -7.148) 8.937 27.578 ( -3.307 0.351 -3.865) 5.099 28.055 ( 8.681 -0.188 3.678) 9.430 29.024 ( 10.798 0.210 -0.343) 10.806 29.392 ( -6.561 -0.142 1.342) 6.698 30.308 ( 1.076 -0.646 1.761) 2.162 30.380 ( 1.074 0.574 0.888) 1.507 33.546 ( 15.153 0.097 -0.431) 15.160 34.664 ( -4.988 -0.068 0.150) 4.991 35.908 ( -5.489 -0.051 0.293) 5.497 44.599 ( -0.515 -0.001 -0.112) 0.527 ======================= Grid point 170 (60/186) ======================= q-point: ( 0.45 0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.860 ( 4.391 1.626 2.869) 5.492 8.302 ( 11.901 0.794 -8.211) 14.480 8.511 ( 3.319 1.564 -6.571) 7.526 9.967 ( 3.748 -5.676 4.954) 8.415 10.168 ( -0.991 13.242 14.612) 19.744 10.844 ( 18.900 -1.360 -16.248) 24.961 11.516 ( 2.521 -14.765 -2.974) 15.272 12.486 ( 3.596 15.634 -2.051) 16.173 12.939 ( -5.782 7.974 14.241) 17.316 13.343 ( -9.222 -2.147 1.518) 9.590 14.009 ( -0.084 -20.463 2.867) 20.663 15.261 ( 6.417 1.608 2.062) 6.929 16.018 ( 14.898 13.817 -5.955) 21.174 16.867 ( -16.523 1.024 11.632) 20.233 16.997 ( -11.491 -4.880 -3.046) 12.850 17.381 ( 10.643 -6.821 -5.378) 13.737 17.613 ( -10.794 -1.959 -1.748) 11.109 18.140 ( -0.008 8.910 6.157) 10.830 18.428 ( 1.128 -4.787 10.218) 11.340 18.732 ( 14.773 -3.999 0.575) 15.316 19.237 ( 3.776 -13.050 8.177) 15.856 19.416 ( -14.044 2.269 5.994) 15.438 19.675 ( -0.657 10.652 2.604) 10.985 20.237 ( 7.072 -10.083 -9.747) 15.706 20.839 ( 1.421 9.474 5.389) 10.992 21.228 ( -4.012 -4.228 -13.791) 14.972 21.390 ( 2.588 1.691 -5.995) 6.746 21.686 ( -9.368 5.863 -15.684) 19.187 22.170 ( -4.250 -3.017 5.843) 7.830 23.130 ( -2.307 -0.886 0.241) 2.483 23.266 ( 0.302 0.428 2.432) 2.487 23.412 ( -10.681 -0.856 0.912) 10.754 23.529 ( 0.054 0.106 -1.492) 1.497 24.302 ( -0.492 19.807 -14.137) 24.339 25.396 ( 6.204 -16.980 7.050) 19.404 25.577 ( -6.190 -1.481 0.638) 6.397 26.909 ( 0.322 2.094 7.788) 8.071 27.094 ( 1.575 0.844 -3.432) 3.869 27.532 ( -1.305 0.439 -4.036) 4.264 28.156 ( 2.273 -0.368 3.610) 4.282 29.207 ( 6.806 0.122 0.179) 6.810 29.304 ( -3.345 -0.024 0.539) 3.388 30.323 ( 0.441 -0.649 1.691) 1.864 30.395 ( 0.431 0.554 1.088) 1.295 33.742 ( 5.038 0.076 -0.350) 5.050 34.592 ( -2.074 -0.029 -0.058) 2.075 35.834 ( -1.959 -0.072 0.362) 1.993 44.592 ( -0.194 -0.001 -0.096) 0.217 ======================= Grid point 176 (61/186) ======================= q-point: ( 0.00 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.020 ( 0.000 6.386 -8.708) 10.799 7.362 ( 0.000 -9.360 -20.138) 22.206 7.928 ( 0.000 -17.660 18.124) 25.305 7.937 ( 0.000 0.783 -1.206) 1.438 9.116 ( 0.000 -9.533 -42.351) 43.411 10.044 ( 0.000 -6.198 -19.149) 20.128 11.131 ( 0.000 10.731 -30.958) 32.765 11.666 ( 0.000 10.812 54.698) 55.756 12.313 ( 0.000 -10.344 -19.303) 21.900 13.050 ( 0.000 23.788 -28.901) 37.432 14.621 ( 0.000 7.620 -7.963) 11.021 15.108 ( 0.000 -14.431 26.745) 30.390 15.832 ( 0.000 -10.177 1.172) 10.245 16.166 ( 0.000 -2.442 46.494) 46.558 16.820 ( 0.000 -8.693 -11.143) 14.132 17.583 ( 0.000 -6.857 -48.865) 49.343 17.808 ( 0.000 -5.199 23.681) 24.245 18.237 ( 0.000 -0.238 -2.760) 2.770 18.260 ( 0.000 7.096 10.893) 13.001 18.668 ( 0.000 -0.208 7.298) 7.301 18.984 ( 0.000 -1.729 3.027) 3.486 19.521 ( 0.000 5.026 33.636) 34.010 20.775 ( 0.000 -4.019 -11.487) 12.170 20.781 ( 0.000 2.927 -0.599) 2.988 21.609 ( 0.000 2.673 -25.326) 25.467 21.839 ( 0.000 24.758 -10.312) 26.819 22.380 ( 0.000 0.379 6.505) 6.516 22.452 ( 0.000 -3.704 1.280) 3.919 22.623 ( 0.000 5.638 14.876) 15.908 23.080 ( 0.000 21.362 -9.952) 23.566 23.460 ( 0.000 -7.771 -0.415) 7.782 24.087 ( 0.000 -26.382 4.608) 26.782 24.106 ( 0.000 -0.080 -3.269) 3.270 24.913 ( 0.000 1.034 3.751) 3.891 25.112 ( 0.000 -1.739 -4.074) 4.430 25.194 ( 0.000 3.538 -1.712) 3.931 26.679 ( 0.000 -1.837 2.592) 3.177 26.826 ( 0.000 1.031 0.406) 1.108 27.461 ( 0.000 -2.314 10.538) 10.789 27.797 ( 0.000 1.852 0.336) 1.882 28.681 ( 0.000 -0.575 -0.950) 1.110 30.206 ( 0.000 -1.428 -2.127) 2.562 30.376 ( 0.000 -0.648 5.607) 5.644 31.195 ( 0.000 -0.539 2.661) 2.715 31.210 ( 0.000 0.624 -0.824) 1.034 34.974 ( 0.000 -0.329 -0.167) 0.368 36.295 ( 0.000 -0.124 -3.109) 3.112 44.638 ( 0.000 0.154 0.259) 0.302 ======================= Grid point 177 (62/186) ======================= q-point: ( 0.09 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.158 ( 14.074 5.558 -9.332) 17.778 7.493 ( 11.573 -8.254 -16.215) 21.564 7.822 ( -0.661 -4.420 6.933) 8.249 8.194 ( 16.767 -11.392 7.810) 21.723 9.125 ( 1.916 -9.258 -42.432) 43.472 10.146 ( 10.908 -5.131 -5.937) 13.437 11.073 ( -4.042 10.967 -18.712) 22.063 11.618 ( -3.784 7.471 38.204) 39.111 12.669 ( 32.007 -7.151 -27.456) 42.771 13.092 ( 4.377 22.334 -27.468) 35.672 14.519 ( -9.530 3.622 -1.304) 10.278 15.129 ( 1.389 -9.470 17.695) 20.117 15.734 ( -10.047 -9.525 2.571) 14.081 16.215 ( 4.072 -5.433 36.973) 37.591 16.894 ( 7.906 -7.834 -8.483) 13.994 17.567 ( -1.416 -4.456 -35.201) 35.510 17.804 ( 0.162 -6.705 9.875) 11.937 18.219 ( -1.805 3.867 9.284) 10.217 18.276 ( 1.104 3.515 5.190) 6.365 18.736 ( 5.535 1.229 5.788) 8.102 18.991 ( 2.340 -3.943 3.724) 5.907 19.464 ( -5.576 4.443 32.252) 33.031 20.645 ( -11.834 1.541 -3.819) 12.530 20.753 ( -3.232 -3.535 -11.712) 12.654 21.645 ( 2.064 3.951 -19.053) 19.568 21.785 ( -9.414 18.948 -8.917) 22.960 22.193 ( -13.795 1.235 2.745) 14.120 22.426 ( -12.767 7.680 11.265) 18.678 22.629 ( 9.679 -0.763 2.064) 9.926 22.912 ( -14.033 13.238 -1.456) 19.347 23.408 ( -1.639 -2.000 -1.982) 3.258 23.892 ( -10.243 -9.533 -0.913) 14.022 24.339 ( 12.526 -14.021 3.616) 19.146 24.815 ( -7.096 -0.636 -1.393) 7.259 25.103 ( -8.443 3.753 -0.518) 9.254 25.513 ( 31.050 -1.888 -2.296) 31.191 26.603 ( -7.919 -0.993 2.437) 8.344 26.844 ( 2.638 1.772 1.958) 3.733 27.489 ( 2.909 -2.849 6.226) 7.439 27.787 ( -0.894 2.054 1.886) 2.928 28.697 ( 1.630 -0.695 -0.592) 1.868 30.214 ( 0.490 -1.357 -1.883) 2.372 30.378 ( 0.127 -0.617 5.468) 5.504 30.534 ( -31.155 -0.382 2.161) 31.232 31.919 ( 36.483 0.266 -0.106) 36.484 34.946 ( -2.898 -0.350 -0.389) 2.944 36.257 ( -3.775 -0.125 -2.946) 4.790 44.636 ( -0.185 0.148 0.435) 0.495 ======================= Grid point 178 (63/186) ======================= q-point: ( 0.18 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.546 ( 25.114 3.907 -10.583) 27.531 7.681 ( 6.184 -3.481 -4.968) 8.663 7.936 ( 11.264 -1.347 -0.062) 11.345 8.600 ( 25.964 -13.308 6.460) 29.882 9.237 ( 10.102 -7.500 -32.127) 34.503 10.451 ( 17.773 -6.455 -1.348) 18.957 11.051 ( 4.456 13.944 -6.832) 16.155 11.549 ( -2.422 4.498 31.818) 32.225 13.101 ( 4.056 13.920 -25.949) 29.725 13.502 ( 42.295 -0.950 -41.042) 58.943 14.298 ( -11.788 0.463 5.200) 12.893 15.111 ( -5.450 -4.248 3.986) 7.977 15.474 ( -14.593 -9.167 7.907) 18.961 16.268 ( 0.673 -8.560 7.973) 11.718 17.128 ( 15.309 -4.450 -0.372) 15.946 17.550 ( 0.038 -1.596 -13.750) 13.842 17.808 ( -0.613 -10.146 -9.183) 13.698 18.182 ( -1.581 3.454 11.606) 12.212 18.310 ( 3.391 4.353 14.536) 15.548 18.755 ( -4.176 0.683 2.295) 4.814 19.185 ( 17.068 -5.995 4.055) 18.539 19.324 ( -7.979 3.794 28.193) 29.545 20.372 ( -15.211 0.351 -5.674) 16.239 20.629 ( -11.498 -2.948 -13.428) 17.922 21.296 ( -33.385 2.160 5.975) 33.984 21.652 ( -2.920 5.702 -6.925) 9.434 21.980 ( -6.530 21.672 -2.442) 22.766 22.306 ( -1.899 1.002 -0.864) 2.315 22.596 ( -16.831 5.116 13.418) 22.124 22.845 ( 10.532 2.007 -5.602) 12.097 23.397 ( -0.470 2.548 -3.602) 4.437 23.697 ( -9.576 -6.748 -2.126) 11.907 24.491 ( -3.586 -3.602 2.371) 5.609 24.694 ( -1.479 -8.120 1.385) 8.369 24.905 ( -8.459 1.219 2.358) 8.866 26.037 ( 13.768 -3.353 -1.489) 14.248 26.455 ( -1.069 1.380 -5.436) 5.709 26.939 ( 7.286 2.085 8.305) 11.243 27.566 ( 4.182 -2.364 -2.055) 5.225 27.779 ( 1.387 1.648 6.107) 6.476 28.743 ( 3.244 -0.788 -0.303) 3.352 29.978 ( -22.735 -0.564 2.914) 22.928 30.256 ( 1.223 -1.621 -0.356) 2.062 30.388 ( 0.587 -0.544 4.604) 4.673 32.590 ( 32.116 0.382 -0.844) 32.129 34.866 ( -5.195 -0.373 -1.071) 5.317 36.156 ( -6.426 -0.141 -2.451) 6.879 44.631 ( -0.317 0.131 0.909) 0.972 ======================= Grid point 179 (64/186) ======================= q-point: ( 0.27 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.090 ( 29.565 2.334 -12.489) 32.179 7.782 ( 5.309 0.301 -0.347) 5.329 8.162 ( 11.013 2.164 -3.195) 11.670 9.204 ( 35.321 -11.575 7.366) 37.892 9.487 ( 14.478 -6.592 -20.086) 25.622 10.619 ( -1.800 1.357 -14.485) 14.659 11.332 ( 15.808 0.309 1.286) 15.863 11.648 ( 21.592 9.643 35.701) 42.822 13.106 ( -2.729 9.299 -19.420) 21.704 13.926 ( -11.490 -2.160 -0.096) 11.692 14.489 ( 40.630 1.393 -35.274) 53.824 14.806 ( -25.223 -8.019 -1.570) 26.514 15.306 ( -1.584 -4.810 8.280) 9.706 16.275 ( 1.944 -5.078 -17.092) 17.936 17.343 ( 0.712 10.187 -3.688) 10.857 17.622 ( 9.813 -14.054 -0.464) 17.147 17.759 ( -3.984 -10.916 -16.777) 20.408 18.162 ( -1.172 4.293 13.334) 14.057 18.387 ( 0.051 0.415 13.758) 13.765 18.643 ( -3.198 -7.650 -4.449) 9.409 19.209 ( -2.376 6.770 30.213) 31.053 19.537 ( 15.436 -4.201 -2.298) 16.162 20.090 ( -12.632 -1.330 -3.536) 13.185 20.208 ( -27.676 2.261 3.184) 27.950 20.863 ( -9.127 -2.986 5.277) 10.957 21.550 ( -6.591 7.182 1.442) 9.854 21.884 ( -4.634 20.628 -8.489) 22.783 22.127 ( -20.061 3.354 9.291) 22.361 22.368 ( -3.444 0.086 7.265) 8.041 23.041 ( 8.973 1.562 -7.484) 11.788 23.363 ( -3.442 1.982 -3.055) 5.011 23.537 ( -6.434 -4.297 -2.171) 8.036 24.206 ( -21.077 0.954 -2.933) 21.302 24.583 ( -8.879 8.648 6.768) 14.122 24.976 ( 10.944 -16.200 5.667) 20.355 25.953 ( -12.270 0.178 0.689) 12.291 26.615 ( 8.919 -1.344 -15.514) 17.946 27.112 ( 9.104 1.186 15.260) 17.809 27.589 ( -1.894 1.414 -3.918) 4.576 27.909 ( 11.244 -1.303 6.101) 12.858 28.834 ( 6.629 -0.328 -1.096) 6.727 29.622 ( -13.752 -1.038 3.732) 14.287 30.291 ( 1.994 -1.610 0.724) 2.663 30.402 ( 0.819 -0.492 3.785) 3.903 33.144 ( 24.558 0.431 -1.363) 24.600 34.751 ( -6.368 -0.318 -2.217) 6.751 36.022 ( -6.958 -0.189 -1.664) 7.157 44.625 ( -0.353 0.108 1.537) 1.580 ======================= Grid point 180 (65/186) ======================= q-point: ( 0.36 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.618 ( 21.755 -0.172 -13.593) 25.652 7.916 ( 9.720 4.112 -0.833) 10.587 8.346 ( 7.525 4.692 -4.478) 9.934 9.710 ( 11.420 -3.509 -9.932) 15.536 9.955 ( 35.362 -14.199 -4.001) 38.316 10.500 ( -6.707 11.714 -6.437) 14.955 11.514 ( 7.535 -3.931 14.507) 16.813 12.315 ( 34.508 10.732 15.924) 39.492 13.026 ( -3.405 -1.695 -11.550) 12.160 13.642 ( -14.361 0.318 5.348) 15.328 14.228 ( -30.167 -12.272 0.191) 32.569 15.108 ( 13.651 0.466 -10.503) 17.230 15.506 ( 26.369 -0.486 -12.019) 28.983 16.381 ( 7.922 1.042 -32.160) 33.137 17.212 ( -10.993 8.145 -1.907) 13.814 17.527 ( -15.337 -5.190 -14.938) 22.030 17.899 ( 4.239 -10.481 -3.297) 11.776 17.970 ( -11.443 -7.290 1.443) 13.644 18.398 ( 6.742 -0.260 6.479) 9.354 18.718 ( 7.889 -14.241 -6.410) 17.496 19.155 ( -9.532 7.363 29.979) 32.308 19.627 ( -2.561 0.720 -3.814) 4.651 19.808 ( -8.775 3.852 8.409) 12.749 20.031 ( 2.373 -3.859 -0.288) 4.540 20.866 ( 9.177 -2.142 4.188) 10.313 21.429 ( -5.479 7.732 4.834) 10.638 21.655 ( -19.828 11.024 8.004) 24.058 21.826 ( -7.557 9.928 3.813) 13.046 22.304 ( -4.287 -2.486 5.056) 7.080 23.169 ( 3.357 1.325 -4.422) 5.708 23.280 ( -3.560 -0.795 -1.663) 4.009 23.455 ( -2.440 -1.828 -4.297) 5.269 23.769 ( -21.771 1.217 0.478) 21.810 24.444 ( -5.226 16.494 1.413) 17.360 25.187 ( 9.895 -17.053 7.735) 21.179 25.725 ( -10.280 0.160 -0.725) 10.307 26.729 ( 3.576 -1.405 -14.479) 14.980 27.249 ( 4.865 0.020 16.063) 16.783 27.534 ( -3.055 2.676 -2.587) 4.815 28.111 ( 7.749 -2.285 4.186) 9.099 29.008 ( 10.689 0.500 -2.019) 10.890 29.429 ( -6.865 -1.311 3.642) 7.881 30.328 ( 1.639 -1.660 2.066) 3.116 30.419 ( 0.857 -0.523 3.105) 3.263 33.531 ( 15.115 0.406 -1.619) 15.207 34.631 ( -5.681 -0.155 -3.630) 6.744 35.902 ( -5.102 -0.268 -0.790) 5.170 44.618 ( -0.275 0.086 2.120) 2.140 ======================= Grid point 181 (66/186) ======================= q-point: ( 0.45 -0.50 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.844 ( 3.998 -1.197 -4.984) 6.501 8.158 ( 10.157 6.317 -12.135) 17.039 8.442 ( 2.300 5.475 -5.659) 8.203 9.858 ( 4.010 -4.798 -8.715) 10.726 10.225 ( -3.733 -4.492 -14.746) 15.861 10.735 ( 23.362 9.406 -0.738) 25.196 11.584 ( -2.283 -2.653 23.208) 23.471 12.704 ( 9.568 14.962 2.762) 17.973 13.056 ( 0.892 -8.436 -0.347) 8.490 13.360 ( -14.017 -7.101 3.813) 16.169 13.864 ( -3.485 -13.150 3.792) 14.122 15.281 ( 7.376 -1.363 -0.070) 7.501 15.991 ( 17.986 9.739 -14.768) 25.228 16.395 ( -10.647 -2.045 -37.906) 39.426 17.036 ( -3.292 -2.680 -2.471) 4.912 17.316 ( -0.177 10.656 -1.059) 10.710 17.561 ( -17.032 -11.128 -0.392) 20.349 18.207 ( 16.286 -10.015 -4.370) 19.612 18.463 ( -4.361 -2.670 7.282) 8.898 18.799 ( -8.047 1.217 2.148) 8.417 19.042 ( 12.264 -13.885 -7.150) 19.858 19.419 ( -15.515 -3.731 -7.434) 17.604 19.850 ( 3.595 3.926 1.351) 5.492 20.063 ( 1.975 3.572 4.340) 5.958 21.125 ( 11.680 5.556 2.547) 13.183 21.300 ( -7.608 2.995 28.527) 29.676 21.438 ( 1.597 9.879 1.338) 10.096 21.649 ( -11.296 4.871 5.559) 13.499 22.221 ( -3.007 -2.293 6.375) 7.412 23.169 ( -0.856 -0.195 3.868) 3.967 23.272 ( 1.471 -1.007 -2.473) 3.049 23.370 ( -8.322 -0.094 -1.259) 8.417 23.493 ( -3.375 1.272 -5.226) 6.350 24.378 ( -1.641 21.397 -2.468) 21.601 25.343 ( 5.636 -16.770 7.755) 19.317 25.568 ( -5.562 -0.771 -0.371) 5.628 26.772 ( 1.071 -1.155 -13.195) 13.288 27.309 ( 1.488 -0.266 16.428) 16.497 27.488 ( -1.387 2.948 -2.883) 4.350 28.200 ( 1.920 -2.492 3.129) 4.437 29.198 ( 7.620 0.689 -1.972) 7.901 29.328 ( -4.265 -1.231 3.192) 5.467 30.351 ( 0.634 -1.676 2.860) 3.375 30.433 ( 0.432 -0.640 2.911) 3.011 33.727 ( 5.058 0.330 -1.638) 5.327 34.548 ( -2.393 0.031 -4.705) 5.279 35.833 ( -1.805 -0.333 -0.216) 1.848 44.614 ( -0.104 0.074 2.470) 2.473 ======================= Grid point 187 (67/186) ======================= q-point: ( 0.00 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.679 ( 0.000 -24.790 -21.481) 32.802 6.411 ( 0.000 -27.934 -61.452) 67.503 7.931 ( 0.000 0.986 -0.059) 0.987 8.170 ( 0.000 3.007 19.882) 20.108 8.528 ( 0.000 2.444 -16.469) 16.649 9.051 ( 0.000 -28.563 -73.348) 78.713 10.692 ( 0.000 3.674 -20.063) 20.396 12.030 ( 0.000 -2.135 -0.922) 2.326 12.812 ( 0.000 14.654 46.721) 48.966 12.892 ( 0.000 30.267 -16.659) 34.549 14.637 ( 0.000 16.000 -7.301) 17.587 15.418 ( 0.000 -15.609 24.861) 29.355 15.740 ( 0.000 -10.908 0.036) 10.908 16.241 ( 0.000 -14.567 -8.386) 16.809 16.671 ( 0.000 -6.006 -41.134) 41.570 16.998 ( 0.000 -12.215 27.742) 30.312 18.057 ( 0.000 -8.234 -10.315) 13.198 18.128 ( 0.000 0.141 19.960) 19.961 18.859 ( 0.000 -7.038 5.313) 8.818 18.860 ( 0.000 1.094 12.262) 12.310 19.125 ( 0.000 21.543 40.674) 46.027 19.987 ( 0.000 5.002 -2.333) 5.520 20.599 ( 0.000 -4.203 11.042) 11.815 20.875 ( 0.000 8.036 4.064) 9.005 21.170 ( 0.000 0.866 -24.733) 24.748 21.893 ( 0.000 19.691 -12.999) 23.594 22.398 ( 0.000 2.243 -6.511) 6.887 22.444 ( 0.000 -3.191 2.235) 3.896 22.973 ( 0.000 6.636 10.800) 12.676 23.156 ( 0.000 23.705 -8.981) 25.349 23.370 ( 0.000 -9.165 5.995) 10.952 23.848 ( 0.000 -24.673 1.148) 24.700 24.049 ( 0.000 0.506 -2.992) 3.034 24.957 ( 0.000 -2.395 -10.052) 10.334 24.981 ( 0.000 1.059 1.208) 1.606 25.266 ( 0.000 5.705 4.564) 7.306 26.644 ( 0.000 -8.904 -0.106) 8.905 26.871 ( 0.000 2.220 2.568) 3.394 27.643 ( 0.000 -4.834 13.324) 14.174 27.856 ( 0.000 3.714 2.464) 4.457 28.641 ( 0.000 -1.147 -2.393) 2.654 30.153 ( 0.000 -2.107 -1.525) 2.601 30.456 ( 0.000 -2.106 4.838) 5.276 31.210 ( 0.000 1.475 -0.342) 1.514 31.247 ( 0.000 -1.029 4.081) 4.209 34.961 ( 0.000 -0.573 -0.747) 0.942 36.216 ( 0.000 -0.198 -5.314) 5.318 44.648 ( 0.000 0.314 0.579) 0.659 ======================= Grid point 188 (68/186) ======================= q-point: ( 0.09 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.810 ( 14.009 -23.473 -21.087) 34.524 6.655 ( 22.800 -28.062 -53.440) 64.523 7.910 ( -0.176 1.350 0.982) 1.679 8.245 ( 6.463 2.488 6.286) 9.352 8.611 ( 11.400 1.572 -7.550) 13.763 9.445 ( 34.929 -22.326 -59.110) 72.197 10.720 ( 3.462 5.567 -21.126) 22.120 11.997 ( -2.987 -3.282 0.285) 4.447 12.829 ( 1.695 16.127 33.401) 37.129 12.937 ( 4.931 24.904 -12.550) 28.320 14.582 ( -5.742 13.629 -3.771) 15.262 15.318 ( -9.279 -12.259 13.846) 20.690 15.676 ( -6.212 -11.238 2.418) 13.067 16.229 ( -4.382 -13.140 -6.119) 15.143 16.657 ( 3.463 -7.035 -29.884) 30.895 17.126 ( 10.442 -11.358 14.648) 21.274 17.928 ( -8.465 -2.852 1.578) 9.071 18.249 ( 6.642 -4.494 8.770) 11.884 18.757 ( -4.787 2.860 12.853) 14.010 18.906 ( 1.179 -9.350 1.718) 9.579 19.185 ( 3.460 18.843 33.176) 38.310 19.929 ( -4.936 6.387 5.747) 9.909 20.571 ( -3.502 -4.746 5.811) 8.279 20.640 ( -15.667 5.052 -0.412) 16.467 21.365 ( 12.385 3.793 -14.825) 19.687 21.779 ( -13.938 11.719 -11.077) 21.314 22.247 ( -7.073 3.649 0.066) 7.959 22.545 ( 1.313 5.765 -9.751) 11.403 22.753 ( -12.954 7.569 8.634) 17.311 23.129 ( -5.438 9.412 10.671) 15.233 23.346 ( -0.238 -1.171 -1.194) 1.689 23.763 ( -7.501 -10.091 -1.289) 12.639 24.225 ( 14.315 -10.590 0.244) 17.808 24.733 ( -10.279 -1.331 -6.806) 12.400 25.204 ( -6.074 5.409 5.051) 9.574 25.407 ( 26.747 -1.246 -6.058) 27.452 26.588 ( -6.261 -6.654 0.307) 9.141 26.936 ( 7.018 2.483 4.995) 8.965 27.567 ( -5.430 -3.648 6.758) 9.406 27.884 ( 1.634 2.318 5.214) 5.935 28.663 ( 2.098 -1.492 -1.784) 3.133 30.167 ( 1.286 -2.082 -1.149) 2.703 30.449 ( -2.026 -2.162 3.800) 4.818 30.588 ( -28.400 -0.336 4.487) 28.755 31.925 ( 35.553 0.554 0.360) 35.560 34.927 ( -3.529 -0.634 -1.162) 3.769 36.183 ( -3.345 -0.206 -5.009) 6.027 44.651 ( 0.221 0.300 0.857) 0.935 ======================= Grid point 189 (69/186) ======================= q-point: ( 0.18 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.206 ( 25.528 -19.684 -18.176) 37.006 7.186 ( 29.274 -23.099 -36.801) 52.391 7.958 ( 5.219 1.363 -0.103) 5.395 8.459 ( 16.717 2.457 -5.941) 17.910 8.927 ( 19.031 1.211 0.991) 19.096 10.178 ( 32.429 -14.452 -22.616) 42.095 10.907 ( 20.581 12.137 -26.593) 35.750 11.945 ( -0.913 -7.859 1.407) 8.036 12.868 ( 1.451 16.905 0.861) 16.989 13.109 ( 14.085 12.644 -6.436) 19.992 14.421 ( -10.208 8.700 2.274) 13.604 15.077 ( -15.964 -7.235 -0.796) 17.545 15.526 ( -8.360 -10.849 5.770) 14.863 16.066 ( -9.650 -8.046 -7.969) 14.879 16.837 ( 12.772 -7.864 -23.467) 27.851 17.342 ( 11.093 -9.812 5.907) 15.944 17.747 ( -10.275 -1.021 -0.107) 10.326 18.317 ( 0.289 -5.884 8.726) 10.529 18.669 ( -5.749 2.476 8.609) 10.644 18.940 ( -3.150 0.792 4.677) 5.694 19.158 ( -1.481 -0.810 0.892) 1.909 19.882 ( 1.277 9.325 27.017) 28.610 20.288 ( -17.605 3.888 -6.570) 19.188 20.556 ( 0.303 -3.904 13.660) 14.210 21.345 ( -25.950 2.244 -0.397) 26.050 21.563 ( 5.953 5.376 -7.656) 11.088 22.154 ( -4.984 13.779 -2.038) 14.794 22.380 ( -10.340 10.038 0.220) 14.412 22.737 ( 4.687 -0.826 -5.092) 6.969 22.962 ( -10.459 4.120 18.485) 21.634 23.350 ( -0.416 3.089 -4.094) 5.145 23.607 ( -7.604 -2.390 -1.922) 8.199 24.433 ( -4.468 -5.983 -1.770) 7.674 24.599 ( 6.629 -9.118 -0.319) 11.278 25.046 ( -9.326 5.694 7.029) 12.992 25.877 ( 18.017 -4.144 -9.558) 20.812 26.403 ( -11.119 -0.253 -2.016) 11.303 27.140 ( 12.913 1.863 10.530) 16.766 27.510 ( 0.733 -2.272 -0.735) 2.497 27.910 ( 1.684 0.773 6.285) 6.552 28.713 ( 3.006 -1.760 -1.501) 3.793 30.034 ( -21.146 -1.244 4.372) 21.629 30.229 ( 1.443 -2.507 -0.050) 2.893 30.462 ( -0.092 -1.707 4.931) 5.219 32.580 ( 31.383 0.751 -0.863) 31.404 34.829 ( -6.358 -0.679 -2.359) 6.816 36.093 ( -5.610 -0.251 -4.123) 6.967 44.657 ( 0.373 0.261 1.606) 1.669 ======================= Grid point 190 (70/186) ======================= q-point: ( 0.27 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.746 ( 28.902 -13.919 -17.891) 36.731 7.683 ( 19.571 -6.193 -12.900) 24.244 8.114 ( 10.677 0.893 -4.416) 11.588 8.890 ( 26.309 -4.758 -18.861) 32.719 9.298 ( 18.670 -1.626 0.614) 18.751 10.524 ( 8.055 -0.039 -0.692) 8.085 11.483 ( 26.130 13.939 4.078) 29.895 12.083 ( 19.954 -12.924 -7.684) 24.985 12.859 ( -1.770 11.890 -6.885) 13.853 13.498 ( 22.254 -0.205 -27.644) 35.489 14.245 ( -3.990 5.928 0.182) 7.148 14.687 ( -23.243 -5.826 -1.235) 23.994 15.384 ( -5.417 -9.354 4.790) 11.823 15.939 ( -2.388 -1.898 -10.838) 11.259 17.074 ( 9.409 -7.995 -23.083) 26.178 17.492 ( -6.729 -2.703 -6.454) 9.707 17.569 ( 2.589 -1.343 2.478) 3.827 18.269 ( -9.214 -8.874 -1.883) 12.930 18.469 ( -12.766 1.140 2.958) 13.153 18.673 ( -11.396 0.622 5.715) 12.764 19.349 ( 12.441 -4.630 -5.183) 14.250 19.868 ( -6.393 3.563 19.459) 20.790 19.998 ( -8.944 0.167 -5.675) 10.594 20.551 ( -9.292 4.849 31.243) 32.954 20.925 ( -7.694 -1.254 9.613) 12.377 21.622 ( 0.124 6.346 -3.638) 7.316 21.973 ( -12.973 17.420 -4.708) 22.224 22.248 ( -5.204 1.728 4.654) 7.193 22.710 ( -8.924 1.627 16.706) 19.010 22.889 ( 5.407 3.466 -6.905) 9.431 23.315 ( -2.709 0.672 -2.926) 4.044 23.484 ( -5.459 2.221 -2.162) 6.278 24.175 ( -16.472 -0.282 -0.099) 16.475 24.787 ( 0.373 -0.831 6.749) 6.810 24.933 ( 5.125 -5.433 6.555) 9.937 25.942 ( -10.459 -2.293 -0.841) 10.740 26.338 ( 5.482 0.869 -14.607) 15.626 27.346 ( 6.967 -1.036 8.804) 11.275 27.582 ( 4.108 2.427 2.699) 5.482 27.996 ( 8.027 -2.025 5.539) 9.961 28.792 ( 5.857 -0.846 -2.993) 6.632 29.688 ( -13.850 -2.216 5.474) 15.056 30.284 ( 3.288 -2.640 1.115) 4.362 30.463 ( 0.164 -1.592 4.184) 4.480 33.122 ( 24.038 0.808 -1.764) 24.117 34.688 ( -7.895 -0.540 -4.218) 8.967 35.978 ( -5.926 -0.358 -2.804) 6.566 44.664 ( 0.405 0.211 2.593) 2.632 ======================= Grid point 191 (71/186) ======================= q-point: ( 0.36 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.286 ( 25.552 -6.857 -17.827) 31.902 7.934 ( 7.757 4.669 -4.032) 9.911 8.320 ( 8.488 5.992 -6.331) 12.166 9.365 ( 19.463 -7.879 -20.615) 29.425 9.655 ( 17.317 -9.936 -5.389) 20.679 10.641 ( 6.242 9.115 1.629) 11.166 11.825 ( 15.736 1.385 19.990) 25.479 12.469 ( 5.458 -4.429 -21.510) 22.629 12.952 ( 16.401 12.516 12.299) 24.018 13.584 ( -12.546 -11.130 -9.925) 19.488 14.133 ( -20.076 -3.262 5.170) 20.987 14.690 ( 33.296 0.773 -27.018) 42.886 15.355 ( 3.831 -8.788 -0.810) 9.621 15.971 ( 4.754 3.385 -15.122) 16.209 17.022 ( -17.556 -7.264 -18.381) 26.436 17.310 ( -4.965 4.542 -16.132) 17.479 17.693 ( 5.382 -14.801 -4.396) 16.351 17.939 ( -12.046 8.581 2.529) 15.005 18.449 ( 3.429 -6.224 2.707) 7.604 18.563 ( 0.247 -7.856 2.071) 8.128 19.319 ( -16.192 3.040 -6.132) 17.579 19.687 ( -18.700 -9.024 0.557) 20.771 19.984 ( 5.273 3.737 3.704) 7.449 20.185 ( -12.340 2.727 21.518) 24.955 21.078 ( 13.738 5.290 18.410) 23.572 21.586 ( -3.527 6.215 -1.667) 7.338 21.723 ( -10.408 12.060 -3.902) 16.401 22.123 ( -7.733 -0.327 12.645) 14.825 22.574 ( -4.631 3.055 20.924) 21.647 23.013 ( 6.498 0.923 -10.889) 12.714 23.275 ( -1.142 3.050 -0.214) 3.264 23.376 ( -5.461 0.459 -2.853) 6.178 23.847 ( -16.632 1.920 7.412) 18.309 24.699 ( -4.389 13.677 6.483) 15.759 25.134 ( 10.283 -14.620 6.530) 19.030 25.708 ( -11.068 0.248 -1.263) 11.143 26.450 ( 4.753 -1.150 -14.850) 15.634 27.438 ( 3.214 0.208 3.148) 4.504 27.610 ( -0.522 1.728 9.994) 10.155 28.153 ( 5.889 -3.723 4.398) 8.239 28.960 ( 10.922 0.948 -4.383) 11.807 29.488 ( -7.354 -2.845 5.381) 9.547 30.345 ( 2.795 -2.934 2.641) 4.837 30.469 ( 0.377 -1.566 3.603) 3.947 33.501 ( 14.867 0.752 -2.289) 15.061 34.538 ( -7.114 -0.216 -6.340) 9.532 35.876 ( -4.237 -0.497 -1.463) 4.510 44.671 ( 0.308 0.164 3.506) 3.523 ======================= Grid point 192 (72/186) ======================= q-point: ( 0.45 -0.40 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.673 ( 12.062 -2.912 -10.983) 16.571 8.026 ( 2.173 10.561 -12.929) 16.836 8.407 ( 1.044 8.185 -8.063) 11.537 9.631 ( 8.385 -3.020 -11.136) 14.263 9.850 ( 2.050 -18.550 -7.780) 20.220 10.808 ( 8.398 11.532 -5.353) 15.237 12.122 ( 9.090 4.729 18.401) 21.061 12.488 ( 8.441 -11.399 -16.083) 21.444 12.953 ( -22.062 3.293 -13.405) 26.024 13.482 ( 4.257 -3.731 23.659) 24.327 13.904 ( -1.736 -4.169 11.528) 12.381 15.194 ( 16.398 -0.991 -12.609) 20.709 15.484 ( 0.227 -7.352 -26.551) 27.551 16.049 ( 1.239 9.459 -12.889) 16.035 16.820 ( 6.189 -7.552 -13.932) 17.012 17.141 ( -13.073 -15.380 -13.614) 24.348 17.760 ( 1.698 20.199 6.366) 21.247 17.960 ( 12.024 -5.882 -5.591) 14.507 18.410 ( -7.437 -14.348 0.983) 16.191 18.719 ( 9.354 -7.349 -11.129) 16.290 18.892 ( -19.703 -0.584 -2.638) 19.888 19.221 ( -19.602 -2.239 -1.358) 19.776 19.918 ( -3.313 -3.315 7.750) 9.057 20.295 ( 7.758 9.847 6.663) 14.197 21.301 ( 8.678 13.005 0.153) 15.635 21.460 ( -8.251 13.370 -6.195) 16.888 21.672 ( 3.513 -8.415 13.163) 16.013 21.967 ( -7.078 -0.924 19.799) 21.046 22.519 ( -1.301 2.258 22.952) 23.099 23.128 ( 5.238 -1.125 -7.742) 9.415 23.226 ( -4.609 1.121 -1.963) 5.133 23.347 ( 3.560 4.654 -0.991) 5.943 23.563 ( -11.375 3.168 13.012) 17.571 24.645 ( -1.260 18.783 5.272) 19.549 25.288 ( 4.982 -14.735 6.022) 16.680 25.546 ( -5.164 -0.366 -1.280) 5.333 26.512 ( 1.620 -1.435 -13.940) 14.107 27.478 ( 0.997 4.282 -1.083) 4.528 27.594 ( -0.581 -2.210 15.312) 15.481 28.214 ( 1.083 -4.141 2.659) 5.039 29.152 ( 6.866 1.884 -4.695) 8.528 29.384 ( -3.508 -3.166 5.509) 7.258 30.384 ( 1.053 -3.057 3.634) 4.864 30.477 ( 0.328 -1.771 3.385) 3.834 33.695 ( 5.019 0.633 -2.430) 5.612 34.434 ( -3.012 0.110 -7.876) 8.433 35.820 ( -1.478 -0.594 -0.642) 1.718 44.676 ( 0.114 0.135 4.051) 4.055 ======================= Grid point 198 (73/186) ======================= q-point: ( 0.00 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.703 ( 0.000 -52.439 -37.667) 64.565 4.788 ( 0.000 -40.606 -73.323) 83.816 6.991 ( 0.000 -55.702 -94.133) 109.379 7.953 ( 0.000 0.994 0.861) 1.315 8.442 ( 0.000 9.336 -3.974) 10.146 8.693 ( 0.000 16.966 18.194) 24.877 10.557 ( 0.000 -1.340 2.149) 2.533 12.152 ( 0.000 17.317 3.846) 17.739 12.910 ( 0.000 34.687 -14.671) 37.662 13.766 ( 0.000 15.877 31.100) 34.919 14.643 ( 0.000 16.838 -13.911) 21.841 15.501 ( 0.000 -12.031 -0.720) 12.052 15.560 ( 0.000 -12.341 -3.728) 12.892 16.037 ( 0.000 -13.606 3.097) 13.954 16.172 ( 0.000 -15.560 2.186) 15.712 17.181 ( 0.000 -18.650 10.863) 21.583 17.754 ( 0.000 -6.528 -13.003) 14.550 18.486 ( 0.000 0.793 18.057) 18.075 18.783 ( 0.000 -8.656 7.048) 11.163 19.096 ( 0.000 0.558 12.788) 12.800 19.705 ( 0.000 -2.240 -18.265) 18.401 20.218 ( 0.000 19.824 43.280) 47.604 20.622 ( 0.000 -1.084 -20.564) 20.592 21.014 ( 0.000 -3.308 8.682) 9.290 21.100 ( 0.000 13.472 8.209) 15.776 21.794 ( 0.000 10.600 -17.174) 20.182 22.309 ( 0.000 6.891 -2.536) 7.343 22.443 ( 0.000 -1.097 -0.123) 1.104 23.076 ( 0.000 2.350 -1.091) 2.591 23.301 ( 0.000 22.364 -4.076) 22.732 23.512 ( 0.000 -2.925 12.018) 12.368 23.618 ( 0.000 -17.096 0.892) 17.119 24.015 ( 0.000 1.085 -1.907) 2.194 24.731 ( 0.000 -1.230 -12.277) 12.339 25.003 ( 0.000 0.551 1.118) 1.247 25.443 ( 0.000 7.012 6.140) 9.320 26.491 ( 0.000 -14.671 -1.696) 14.768 26.946 ( 0.000 1.857 2.746) 3.315 27.794 ( 0.000 -7.314 10.655) 12.923 27.952 ( 0.000 4.272 2.946) 5.189 28.575 ( 0.000 -1.613 -3.007) 3.413 30.107 ( 0.000 -2.439 -0.790) 2.564 30.495 ( 0.000 -3.194 2.925) 4.331 31.233 ( 0.000 2.266 0.570) 2.336 31.310 ( 0.000 -1.321 4.272) 4.472 34.935 ( 0.000 -0.693 -1.435) 1.594 36.114 ( 0.000 -0.189 -5.545) 5.548 44.664 ( 0.000 0.416 0.642) 0.765 ======================= Grid point 199 (74/186) ======================= q-point: ( 0.09 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.882 ( 23.738 -47.401 -37.054) 64.679 5.239 ( 36.088 -43.329 -54.647) 78.524 7.355 ( 34.041 -38.372 -78.834) 94.053 8.050 ( 11.249 -4.193 -8.668) 14.808 8.556 ( 11.760 10.182 0.400) 15.561 8.820 ( 12.824 14.510 9.780) 21.695 10.589 ( 3.392 -2.377 2.597) 4.889 12.122 ( -2.719 18.308 5.096) 19.198 12.926 ( 1.318 31.567 -14.261) 34.664 13.695 ( -6.702 15.469 27.506) 32.261 14.621 ( -2.645 15.627 -11.503) 19.584 15.298 ( -16.130 -10.899 0.048) 19.467 15.504 ( -5.868 -12.717 -2.804) 14.283 16.107 ( -3.056 -12.319 -2.082) 12.862 16.196 ( 9.877 -14.337 3.687) 17.796 17.217 ( 3.607 -17.847 8.192) 19.966 17.763 ( -1.718 -3.813 -10.668) 11.458 18.466 ( -1.796 -1.827 14.184) 14.414 18.730 ( -3.056 -11.676 3.995) 12.713 19.062 ( -3.849 1.833 11.643) 12.399 19.492 ( -16.571 6.173 -10.640) 20.638 20.305 ( -4.726 7.984 7.492) 11.925 20.541 ( 1.324 5.331 9.273) 10.778 20.848 ( -11.129 -6.333 9.723) 16.078 21.291 ( 13.015 11.272 0.007) 17.218 21.749 ( -4.615 9.473 -3.916) 11.242 22.264 ( -3.397 8.635 -3.160) 9.802 22.458 ( 0.750 1.481 -3.571) 3.938 22.925 ( -11.484 7.277 2.149) 13.764 23.320 ( -6.307 -6.259 5.408) 10.402 23.417 ( 0.719 13.691 0.007) 13.710 23.657 ( -1.656 -4.603 1.151) 5.025 24.140 ( 12.251 -5.847 0.646) 13.590 24.583 ( -9.001 -1.603 -6.831) 11.412 25.243 ( 13.408 -0.298 -4.966) 14.301 25.419 ( 1.160 6.728 4.751) 8.318 26.468 ( -2.980 -12.042 -1.730) 12.525 27.051 ( 10.896 1.754 4.814) 12.040 27.644 ( -11.085 -3.436 6.101) 13.111 27.995 ( 1.763 1.296 4.559) 5.057 28.604 ( 2.445 -2.356 -2.349) 4.129 30.127 ( 1.983 -2.505 -0.502) 3.234 30.466 ( -5.764 -3.147 1.803) 6.810 30.675 ( -23.840 -0.242 5.195) 24.401 31.944 ( 34.370 0.813 0.888) 34.391 34.891 ( -4.401 -0.853 -1.851) 4.850 36.086 ( -2.749 -0.209 -5.193) 5.879 44.671 ( 0.710 0.395 0.916) 1.224 ======================= Grid point 200 (75/186) ======================= q-point: ( 0.18 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.485 ( 34.379 -42.912 -21.665) 59.099 6.092 ( 51.281 -35.116 -43.347) 75.775 7.874 ( 12.938 -2.194 -12.165) 17.894 8.469 ( 22.268 7.729 -17.425) 29.313 8.963 ( 25.505 -9.066 -7.592) 28.113 9.271 ( 46.681 -0.849 -28.569) 54.736 10.692 ( 7.529 -6.114 -0.098) 9.699 12.067 ( -2.313 20.308 9.913) 22.716 12.945 ( 0.481 23.814 -12.530) 26.913 13.539 ( -8.643 14.478 15.825) 23.125 14.518 ( -8.247 9.942 -3.548) 13.396 14.983 ( -14.964 -5.319 -0.373) 15.885 15.369 ( -7.247 -12.237 -1.297) 14.281 15.998 ( -6.398 -8.499 4.778) 11.661 16.432 ( 12.766 -10.972 -7.282) 18.341 17.310 ( 5.181 -15.876 2.331) 16.862 17.626 ( -11.545 -1.219 -10.847) 15.888 18.320 ( -14.403 -10.610 -1.330) 17.938 18.747 ( -1.669 -5.261 5.225) 7.600 19.009 ( 4.518 -1.571 3.829) 6.127 19.167 ( -14.864 13.187 2.779) 20.064 20.084 ( -12.698 1.219 -9.190) 15.722 20.314 ( -21.862 -5.379 -2.404) 22.642 20.956 ( 16.006 -0.546 30.360) 34.325 21.453 ( -1.652 14.054 3.570) 14.595 21.651 ( -2.172 6.243 12.064) 13.756 22.200 ( -3.614 12.058 -8.887) 15.409 22.448 ( -2.499 4.772 -2.630) 5.994 22.704 ( -9.829 2.011 2.077) 10.245 23.147 ( -9.141 -7.679 2.131) 12.127 23.441 ( -0.496 9.935 5.829) 11.530 23.584 ( -4.041 5.775 -2.346) 7.429 24.334 ( -0.936 -7.033 -0.581) 7.118 24.513 ( 8.718 -5.831 1.312) 10.570 25.226 ( -6.820 4.662 5.549) 9.952 25.672 ( 15.653 -0.254 -9.367) 18.243 26.344 ( -10.200 -4.504 -2.103) 11.347 27.327 ( 12.087 0.587 8.332) 14.692 27.497 ( 1.840 -1.157 1.555) 2.673 28.008 ( 0.288 0.141 4.173) 4.186 28.652 ( 2.295 -2.938 -2.409) 4.439 30.094 ( -18.591 -1.910 4.027) 19.118 30.199 ( 0.880 -3.129 0.210) 3.257 30.523 ( -1.083 -2.237 4.279) 4.949 32.579 ( 30.404 1.077 -0.436) 30.426 34.771 ( -7.803 -0.935 -3.024) 8.420 36.013 ( -4.540 -0.307 -4.205) 6.196 44.690 ( 1.200 0.339 1.654) 2.071 ======================= Grid point 201 (76/186) ======================= q-point: ( 0.27 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.161 ( 35.304 -31.418 -18.635) 50.801 7.132 ( 51.659 -20.654 -27.537) 62.077 8.036 ( 6.664 0.371 -4.351) 7.967 8.755 ( 11.051 14.972 -6.238) 19.626 9.309 ( 14.069 -0.002 0.682) 14.085 10.395 ( 37.597 -9.582 -16.571) 42.189 11.020 ( 37.345 -21.598 -36.407) 56.450 12.076 ( 6.647 20.906 18.435) 28.654 12.974 ( 4.449 15.417 -7.177) 17.578 13.370 ( -8.986 11.588 -4.565) 15.358 14.338 ( -7.873 2.645 6.870) 10.779 14.721 ( -12.846 2.548 5.180) 14.083 15.257 ( -3.531 -9.532 -0.334) 10.170 15.892 ( -3.993 -3.038 3.562) 6.153 16.659 ( 9.367 -8.739 -11.445) 17.178 17.275 ( -15.459 1.199 -15.594) 21.991 17.438 ( -3.270 -12.779 -10.833) 17.069 17.991 ( -14.353 -17.558 -9.506) 24.590 18.588 ( -9.319 -0.888 7.863) 12.225 18.931 ( -8.865 15.695 14.013) 22.832 19.257 ( 11.755 -1.089 -0.932) 11.842 19.864 ( -13.152 -6.631 -6.590) 16.136 19.923 ( -11.395 -4.542 -5.625) 13.495 21.162 ( -22.935 5.826 24.583) 34.121 21.267 ( 12.134 -1.092 23.823) 26.757 21.641 ( -2.829 12.657 -1.448) 13.049 22.070 ( -10.625 14.432 -6.889) 19.200 22.368 ( -3.697 2.056 6.112) 7.433 22.602 ( -1.181 -3.534 -9.720) 10.410 22.995 ( -5.772 -4.478 -0.308) 7.312 23.429 ( 0.616 6.311 11.456) 13.094 23.508 ( -4.530 9.421 -1.047) 10.506 24.218 ( -7.362 -1.104 5.589) 9.309 24.754 ( 10.860 -11.269 2.135) 15.796 25.118 ( -2.489 6.848 8.498) 11.194 25.866 ( 0.466 -2.542 -4.456) 5.151 26.141 ( -5.467 2.495 -9.491) 11.233 27.393 ( 2.384 -1.112 0.343) 2.652 27.746 ( 10.892 1.682 10.706) 15.365 28.057 ( 6.681 -2.233 4.000) 8.101 28.707 ( 4.519 -1.701 -5.018) 6.963 29.756 ( -14.149 -3.217 5.251) 15.431 30.270 ( 4.289 -3.500 1.076) 5.640 30.511 ( -0.311 -2.155 3.516) 4.136 33.103 ( 23.283 1.123 -1.462) 23.356 34.598 ( -9.664 -0.686 -4.831) 10.826 35.921 ( -4.670 -0.482 -2.825) 5.479 44.715 ( 1.308 0.266 2.623) 2.943 ======================= Grid point 202 (77/186) ======================= q-point: ( 0.36 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.842 ( 33.877 -16.910 -17.158) 41.569 7.859 ( 17.429 1.100 -9.063) 19.675 8.203 ( 11.014 2.845 -11.891) 16.456 9.009 ( 17.878 -2.276 -9.563) 20.402 9.545 ( 9.782 -2.951 -0.471) 10.228 10.655 ( 4.811 -3.406 -5.255) 7.897 11.532 ( 2.325 -18.549 -33.052) 37.972 12.502 ( 21.239 14.936 10.843) 28.138 13.148 ( -1.101 14.101 -6.602) 15.609 13.326 ( 26.402 -3.811 -2.265) 26.771 14.303 ( 1.548 4.391 8.529) 9.717 14.510 ( -2.693 1.670 7.347) 8.001 15.237 ( 1.161 -6.331 -0.303) 6.443 15.852 ( -0.352 0.670 -4.584) 4.646 16.665 ( -13.298 -6.890 -10.349) 18.205 16.937 ( -11.266 0.396 -24.505) 26.974 17.369 ( -0.607 -12.804 -13.826) 18.854 17.916 ( 3.947 -16.968 -5.831) 18.372 18.447 ( -5.270 -6.750 1.250) 8.654 18.786 ( -7.058 21.467 18.575) 29.252 19.258 ( -10.729 1.210 -4.402) 11.660 19.511 ( -19.559 -11.607 -3.516) 23.013 20.028 ( 13.176 2.683 -1.670) 13.550 20.576 ( -29.207 -0.411 18.394) 34.520 21.466 ( 0.937 8.531 7.886) 11.655 21.545 ( -1.148 5.889 -0.048) 6.000 21.850 ( -9.983 9.009 0.935) 13.480 22.319 ( -1.958 -0.234 10.345) 10.531 22.599 ( -0.157 -5.032 -11.442) 12.501 22.947 ( 0.954 -2.736 -3.087) 4.234 23.355 ( -8.712 3.967 -2.296) 9.844 23.526 ( 6.831 9.648 20.213) 23.416 24.070 ( -7.869 2.240 13.637) 15.903 24.866 ( 1.794 -1.638 1.305) 2.758 25.172 ( 6.673 1.087 9.634) 11.770 25.698 ( -11.527 1.522 -0.634) 11.645 26.186 ( 4.926 -0.134 -14.005) 14.847 27.460 ( 3.854 2.289 -0.693) 4.536 27.825 ( 0.415 -0.962 11.860) 11.907 28.193 ( 3.606 -4.448 5.597) 8.007 28.871 ( 11.940 1.205 -7.037) 13.911 29.546 ( -7.865 -4.132 5.242) 10.316 30.350 ( 3.694 -4.193 2.215) 6.011 30.508 ( -0.022 -2.035 3.054) 3.670 33.471 ( 14.446 1.044 -2.113) 14.637 34.414 ( -8.696 -0.229 -6.845) 11.069 35.842 ( -3.260 -0.664 -1.524) 3.659 44.738 ( 1.000 0.199 3.513) 3.658 ======================= Grid point 203 (78/186) ======================= q-point: ( 0.45 -0.30 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.403 ( 20.452 -8.047 -12.661) 25.364 7.952 ( -2.366 14.769 -10.720) 18.402 8.307 ( 0.016 6.709 -12.431) 14.126 9.398 ( 17.906 -12.880 -3.647) 22.356 9.621 ( -3.790 -11.282 -0.394) 11.908 10.807 ( 10.538 10.890 -10.696) 18.548 11.415 ( -9.209 -28.812 -37.433) 48.126 12.529 ( -6.630 -3.127 -12.106) 14.152 13.199 ( 5.521 32.931 26.478) 42.615 13.837 ( 12.224 0.681 11.092) 16.521 14.200 ( -3.880 -1.366 25.013) 25.349 14.787 ( 15.189 -1.953 -19.271) 24.615 15.271 ( 0.511 -3.717 -0.011) 3.752 15.868 ( 1.948 -1.779 -15.406) 15.630 16.483 ( 3.624 -6.336 -10.208) 12.549 16.734 ( -12.729 -11.447 -12.839) 21.399 17.507 ( 12.911 -7.841 -20.473) 25.443 17.998 ( 1.755 -15.521 -4.451) 16.242 18.381 ( -1.320 -11.282 -10.656) 15.575 18.548 ( -19.702 16.127 8.879) 26.964 18.946 ( -11.848 8.759 11.162) 18.485 19.247 ( -5.649 0.993 0.113) 5.737 19.998 ( -8.744 -6.590 6.471) 12.719 20.491 ( 10.955 7.568 4.508) 14.058 21.286 ( -9.957 11.984 -12.280) 19.838 21.616 ( 1.443 13.343 3.047) 13.762 21.742 ( -1.040 -9.484 8.498) 12.776 22.288 ( -1.024 -0.238 16.386) 16.419 22.591 ( -0.392 -6.261 -9.993) 11.799 23.019 ( 6.085 -1.181 -4.910) 7.907 23.172 ( -9.237 0.506 -3.763) 9.987 23.687 ( 8.334 10.347 24.043) 27.469 23.913 ( -7.788 4.348 19.176) 21.149 24.884 ( 0.522 6.076 2.104) 6.452 25.292 ( 4.325 -1.471 8.285) 9.461 25.520 ( -5.763 0.623 -1.415) 5.967 26.256 ( 1.947 -1.046 -13.152) 13.336 27.518 ( 1.700 6.301 -0.894) 6.587 27.825 ( -0.037 -4.209 14.302) 14.909 28.206 ( -0.596 -5.345 2.548) 5.951 29.079 ( 6.950 2.712 -6.330) 9.784 29.439 ( -3.158 -4.666 5.336) 7.760 30.402 ( 1.455 -4.619 2.999) 5.696 30.510 ( 0.137 -2.183 2.827) 3.575 33.660 ( 4.922 0.914 -2.339) 5.525 34.287 ( -3.690 0.180 -8.285) 9.072 35.799 ( -1.124 -0.772 -0.773) 1.567 44.752 ( 0.373 0.158 4.043) 4.063 ======================= Grid point 209 (79/186) ======================= q-point: ( 0.00 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.018 ( 0.000 -53.849 -63.195) 83.027 3.251 ( 0.000 -64.777 -49.840) 81.732 4.654 ( 0.000 -90.657 -70.590) 114.898 7.973 ( 0.000 0.468 0.458) 0.655 8.531 ( 0.000 11.044 -0.033) 11.044 9.093 ( 0.000 21.876 1.515) 21.928 10.656 ( 0.000 -12.508 13.498) 18.402 12.571 ( 0.000 41.434 7.001) 42.022 13.124 ( 0.000 35.706 -6.084) 36.221 14.208 ( 0.000 16.855 -0.370) 16.859 14.533 ( 0.000 11.503 -14.156) 18.240 15.369 ( 0.000 -14.302 6.721) 15.803 15.396 ( 0.000 -11.305 0.022) 11.305 15.975 ( 0.000 -11.525 4.280) 12.294 16.163 ( 0.000 -21.643 12.636) 25.062 16.959 ( 0.000 -32.747 -1.263) 32.771 17.497 ( 0.000 -2.873 -8.960) 9.409 18.724 ( 0.000 -3.910 12.645) 13.236 19.038 ( 0.000 9.239 16.806) 19.178 19.281 ( 0.000 3.688 2.856) 4.665 19.502 ( 0.000 -1.083 1.586) 1.920 20.206 ( 0.000 -5.636 -19.502) 20.300 20.902 ( 0.000 5.783 17.217) 18.163 20.909 ( 0.000 -9.428 -9.188) 13.164 21.461 ( 0.000 14.112 3.791) 14.612 21.560 ( 0.000 3.456 -8.361) 9.047 22.424 ( 0.000 0.452 -0.879) 0.988 22.567 ( 0.000 12.022 15.531) 19.641 23.056 ( 0.000 5.016 -5.590) 7.511 23.447 ( 0.000 -6.255 7.378) 9.673 23.597 ( 0.000 21.088 -2.740) 21.265 23.613 ( 0.000 -4.550 3.579) 5.789 24.004 ( 0.000 1.205 -0.809) 1.452 24.522 ( 0.000 0.449 -9.748) 9.758 25.039 ( 0.000 0.506 1.842) 1.910 25.615 ( 0.000 7.160 3.791) 8.101 26.272 ( 0.000 -18.704 -1.568) 18.770 26.998 ( 0.000 0.921 1.284) 1.580 27.847 ( 0.000 -8.494 5.333) 10.029 28.046 ( 0.000 3.963 2.303) 4.583 28.508 ( 0.000 -1.840 -2.154) 2.833 30.070 ( 0.000 -2.278 -0.336) 2.303 30.492 ( 0.000 -3.416 1.127) 3.597 31.275 ( 0.000 2.477 0.856) 2.620 31.360 ( 0.000 -1.296 2.770) 3.058 34.896 ( 0.000 -0.679 -2.087) 2.194 36.028 ( 0.000 -0.129 -3.529) 3.531 44.678 ( 0.000 0.418 0.417) 0.591 ======================= Grid point 210 (80/186) ======================= q-point: ( 0.09 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( 51.434 -53.485 -36.103) 82.520 3.861 ( 48.274 -59.699 -34.814) 84.300 5.257 ( 66.334 -66.433 -75.735) 120.620 7.994 ( 2.014 -0.316 -0.536) 2.108 8.800 ( 19.870 18.718 7.020) 28.186 9.119 ( 3.790 21.456 -0.980) 21.811 10.650 ( -0.700 -14.504 10.940) 18.180 12.603 ( 3.481 41.855 10.965) 43.407 13.104 ( -2.158 32.326 -6.347) 33.014 14.058 ( -14.077 14.643 -3.292) 20.577 14.530 ( -0.674 10.060 -13.988) 17.243 15.208 ( -12.865 -13.116 5.566) 19.197 15.405 ( -0.897 -8.380 4.497) 9.553 15.941 ( -0.211 -12.685 2.608) 12.952 16.196 ( 2.101 -18.886 8.453) 20.798 16.971 ( 1.264 -32.460 -2.340) 32.568 17.575 ( 3.313 -0.783 -6.090) 6.977 18.612 ( -11.236 -3.431 5.762) 13.085 18.728 ( -19.622 -3.972 2.597) 20.187 19.266 ( -5.096 2.466 10.670) 12.079 19.538 ( 1.651 11.163 6.036) 12.797 20.083 ( -10.532 -2.880 -17.020) 20.222 20.559 ( -24.101 -7.685 -9.414) 26.991 21.100 ( 11.683 -1.555 16.589) 20.349 21.585 ( 10.345 15.714 7.433) 20.228 21.681 ( 8.652 2.603 -10.637) 13.956 22.403 ( -2.006 1.522 -0.808) 2.644 22.525 ( -4.469 9.379 15.468) 18.633 23.004 ( -5.497 5.783 -2.982) 8.518 23.294 ( -13.769 -10.021 6.177) 18.115 23.536 ( 0.807 13.541 -4.939) 14.436 23.689 ( -0.104 8.523 -0.990) 8.581 24.104 ( 9.078 -4.094 0.839) 9.993 24.496 ( -0.914 0.203 -1.668) 1.913 25.165 ( 10.436 0.301 -3.028) 10.871 25.575 ( -3.156 6.989 3.204) 8.311 26.272 ( -0.234 -16.126 -2.133) 16.268 27.134 ( 13.754 0.795 2.681) 14.035 27.693 ( -12.627 -3.912 3.625) 13.707 28.069 ( 0.702 1.094 2.336) 2.673 28.534 ( 2.191 -2.921 -1.866) 4.101 30.093 ( 2.287 -2.408 -0.197) 3.327 30.451 ( -6.597 -3.242 0.653) 7.380 30.752 ( -22.378 -0.148 3.338) 22.627 31.971 ( 33.474 0.979 0.926) 33.501 34.845 ( -5.021 -1.027 -2.023) 5.510 36.006 ( -2.243 -0.161 -3.309) 4.001 44.689 ( 1.093 0.395 0.586) 1.301 ======================= Grid point 211 (81/186) ======================= q-point: ( 0.18 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.574 ( 44.277 -58.708 -14.689) 74.985 5.000 ( 71.056 -37.982 -30.563) 86.172 7.014 ( 99.595 -31.304 -50.819) 116.110 8.070 ( 8.518 -4.142 -4.828) 10.631 9.017 ( 3.302 17.115 3.052) 17.696 9.347 ( 18.857 21.698 0.825) 28.759 10.621 ( -2.611 -18.116 5.010) 18.976 12.674 ( 1.078 37.455 16.494) 40.940 13.063 ( 0.158 26.917 -4.355) 27.268 13.713 ( -20.084 11.095 -7.404) 24.109 14.512 ( -0.802 8.449 -12.367) 14.998 14.953 ( -11.625 -8.886 7.808) 16.585 15.385 ( -1.133 -2.568 9.679) 10.078 15.955 ( -0.323 -11.203 5.237) 12.370 16.263 ( 5.952 -12.567 -1.893) 14.033 17.004 ( 1.745 -30.642 -6.276) 31.327 17.471 ( -14.343 1.867 -4.312) 15.094 18.076 ( -31.570 -7.661 -10.312) 34.084 18.762 ( 10.388 -7.979 3.814) 13.643 19.094 ( -9.975 -0.217 7.718) 12.614 19.539 ( -1.157 18.646 11.112) 21.736 19.858 ( -12.268 -0.134 -14.216) 18.778 20.083 ( -22.093 -9.189 -6.142) 24.704 21.325 ( 10.457 -4.430 14.473) 18.397 21.752 ( 3.608 14.580 7.163) 16.640 21.838 ( 8.501 4.855 -7.295) 12.208 22.268 ( -15.908 7.049 8.037) 19.166 22.442 ( -1.648 -1.206 3.414) 3.978 22.825 ( -13.867 5.765 3.913) 15.519 23.015 ( -12.590 -8.660 -4.684) 15.983 23.567 ( 2.420 7.558 -1.540) 8.084 23.679 ( 0.033 13.496 -0.808) 13.520 24.252 ( 4.421 -7.891 0.281) 9.050 24.550 ( 6.870 -1.026 6.344) 9.407 25.319 ( 2.875 1.076 1.391) 3.370 25.578 ( 5.995 6.086 -4.527) 9.668 26.227 ( -5.696 -8.944 -2.256) 10.842 27.425 ( -1.754 -1.306 3.129) 3.817 27.544 ( 16.471 0.828 3.448) 16.848 28.062 ( -1.027 0.119 1.854) 2.123 28.569 ( 0.988 -3.895 -2.287) 4.624 30.127 ( -13.813 -2.159 2.088) 14.136 30.167 ( -2.341 -3.110 0.200) 3.898 30.561 ( -2.358 -2.090 2.662) 4.125 32.589 ( 29.508 1.229 0.023) 29.533 34.709 ( -8.781 -1.069 -2.362) 9.156 35.947 ( -3.655 -0.304 -2.661) 4.532 44.719 ( 1.846 0.337 1.039) 2.145 ======================= Grid point 212 (82/186) ======================= q-point: ( 0.27 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.437 ( 45.605 -43.744 -13.593) 64.639 6.415 ( 71.064 -23.635 -21.830) 78.008 7.980 ( 7.422 1.547 -3.035) 8.166 8.823 ( 29.599 9.298 -9.375) 32.410 9.154 ( 23.581 -12.117 -9.901) 28.301 9.913 ( 49.089 12.150 -14.323) 52.559 10.556 ( -1.574 -20.507 -1.413) 20.616 12.585 ( -6.430 14.870 7.666) 17.923 13.086 ( -8.066 16.706 -6.737) 19.737 13.435 ( 1.814 22.430 6.444) 23.408 14.502 ( -0.391 8.438 -4.689) 9.661 14.786 ( -5.605 -4.368 8.017) 10.712 15.357 ( -1.715 3.109 12.872) 13.353 15.895 ( -5.902 -7.518 3.859) 10.308 16.425 ( 9.421 -5.251 -9.126) 14.129 16.963 ( -13.390 -15.805 -16.430) 26.439 17.105 ( -15.626 -3.635 -3.624) 16.447 17.588 ( -15.056 -20.954 -10.547) 27.874 18.702 ( -14.900 -4.227 8.046) 17.454 19.114 ( 5.563 -1.651 -5.528) 8.015 19.483 ( -7.446 3.259 5.876) 10.030 19.650 ( -4.946 8.475 2.480) 10.121 19.813 ( -2.872 0.470 -3.603) 4.631 21.473 ( 0.941 -4.206 8.481) 9.514 21.611 ( -25.771 5.674 17.093) 31.441 21.858 ( -8.720 10.758 2.487) 14.069 21.991 ( 1.176 5.058 -11.953) 13.032 22.400 ( -6.411 -5.083 -1.556) 8.329 22.556 ( -7.818 5.078 4.233) 10.238 22.846 ( -5.452 -7.117 -6.165) 10.880 23.548 ( -6.150 9.655 -1.472) 11.541 23.759 ( 8.897 7.719 8.771) 14.685 24.294 ( 0.805 -4.852 4.268) 6.511 24.703 ( 7.320 -4.287 3.448) 9.156 25.346 ( 2.471 5.766 9.494) 11.379 25.746 ( 8.474 2.475 -8.627) 12.343 26.039 ( -12.287 -0.743 -3.635) 12.835 27.379 ( 1.972 -0.857 -0.268) 2.167 27.946 ( 10.107 1.288 9.005) 13.598 28.091 ( 11.025 -1.533 2.457) 11.399 28.579 ( 1.340 -3.048 -6.007) 6.868 29.794 ( -14.564 -3.473 3.022) 15.275 30.244 ( 4.618 -3.635 0.524) 5.901 30.538 ( -0.645 -2.108 2.063) 3.019 33.097 ( 22.547 1.219 -0.720) 22.591 34.514 ( -10.910 -0.705 -3.325) 11.427 35.873 ( -3.685 -0.507 -1.774) 4.121 44.757 ( 2.009 0.259 1.629) 2.599 ======================= Grid point 213 (83/186) ======================= q-point: ( 0.36 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.320 ( 43.993 -27.512 -12.281) 53.321 7.607 ( 45.510 -7.041 -13.315) 47.937 8.076 ( 5.499 3.887 -5.326) 8.586 8.946 ( 3.606 6.796 -2.643) 8.134 9.504 ( 8.075 -6.547 -0.142) 10.397 10.302 ( -5.459 -19.437 -14.579) 24.903 11.067 ( 24.689 12.329 -11.463) 29.882 12.530 ( -10.141 -2.574 -6.203) 12.163 13.044 ( 30.766 -11.268 -10.265) 34.335 13.718 ( 19.887 34.660 22.060) 45.645 14.496 ( 0.209 7.148 3.546) 7.982 14.710 ( -3.458 0.130 7.678) 8.421 15.326 ( -1.470 6.056 11.124) 12.750 15.727 ( -11.007 -2.358 -8.721) 14.240 16.528 ( -9.256 -6.170 -0.809) 11.153 16.579 ( -7.577 -2.426 -9.500) 12.392 16.956 ( -2.281 -5.677 -18.483) 19.469 17.507 ( 3.714 -29.689 -8.444) 31.089 18.383 ( -16.596 -9.521 1.354) 19.181 19.045 ( -11.513 -1.309 -7.822) 13.980 19.311 ( -9.172 -9.848 0.794) 13.481 19.559 ( -3.637 28.014 16.453) 32.691 20.033 ( 17.621 5.041 -1.754) 18.412 20.789 ( -40.252 -3.616 7.700) 41.141 21.522 ( -5.837 6.884 -0.279) 9.029 21.762 ( -3.475 1.917 7.310) 8.318 21.932 ( -6.524 9.684 -2.295) 11.900 22.274 ( -2.427 -7.867 -10.121) 13.047 22.521 ( 0.166 -0.264 7.326) 7.333 22.805 ( 1.511 -4.662 -6.160) 7.872 23.362 ( -12.019 4.203 -1.951) 12.882 23.958 ( 10.465 6.546 14.237) 18.843 24.295 ( -0.809 -1.287 8.276) 8.414 24.819 ( 4.898 -2.713 0.640) 5.635 25.425 ( 4.597 5.766 11.636) 13.776 25.729 ( -10.582 4.601 -0.007) 11.539 25.951 ( 4.745 0.767 -12.497) 13.390 27.476 ( 6.588 2.309 -0.464) 6.996 27.973 ( -0.244 -1.710 5.825) 6.075 28.273 ( -0.307 -4.329 9.173) 10.148 28.739 ( 15.273 1.217 -9.067) 17.803 29.573 ( -8.376 -4.474 3.060) 9.977 30.329 ( 3.899 -4.611 1.027) 6.125 30.529 ( -0.256 -1.917 1.765) 2.618 33.453 ( 14.008 1.122 -1.199) 14.104 34.307 ( -9.810 -0.200 -4.496) 10.793 35.812 ( -2.534 -0.687 -0.981) 2.803 44.792 ( 1.533 0.187 2.168) 2.662 ======================= Grid point 214 (84/186) ======================= q-point: ( 0.45 -0.20 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.042 ( 25.391 -18.678 -10.399) 33.192 7.983 ( 2.798 15.436 -5.496) 16.623 8.177 ( -1.261 9.600 -9.512) 13.573 9.214 ( 21.105 -17.260 -0.370) 27.266 9.512 ( -7.596 -12.444 1.554) 14.662 10.266 ( 3.040 -23.566 -26.878) 35.875 11.083 ( -9.743 26.916 -6.140) 29.277 12.281 ( -8.464 -6.467 -7.429) 12.986 13.853 ( 27.811 -14.078 0.297) 31.173 14.092 ( 15.116 41.197 21.813) 49.005 14.530 ( 2.683 0.013 4.279) 5.050 14.629 ( -3.364 -2.646 7.557) 8.685 15.293 ( -1.584 2.336 0.362) 2.845 15.548 ( -4.752 -0.222 -10.364) 11.404 16.373 ( -0.352 -6.245 2.814) 6.858 16.466 ( -7.575 -9.753 -3.303) 12.783 17.047 ( 7.971 1.425 -24.094) 25.418 17.618 ( 5.015 -30.057 -7.572) 31.399 18.111 ( -9.278 -13.742 -4.667) 17.225 18.682 ( -20.899 3.225 -0.346) 21.150 19.165 ( -3.883 -2.297 -3.590) 5.765 19.550 ( 1.618 30.861 17.946) 35.737 20.000 ( -13.993 -6.114 2.263) 15.438 20.621 ( 16.621 4.872 2.203) 17.460 21.242 ( -17.810 10.877 -6.303) 21.800 21.745 ( 0.547 -11.585 8.667) 14.478 21.846 ( -2.080 16.358 0.128) 16.491 22.264 ( 0.157 -10.213 -12.951) 16.494 22.522 ( -0.068 -2.947 10.242) 10.657 22.902 ( 7.909 -2.095 -5.225) 9.708 23.119 ( -11.939 1.197 -3.069) 12.386 24.139 ( 7.761 4.592 14.449) 17.032 24.252 ( -3.883 1.968 11.825) 12.601 24.893 ( 2.382 -0.318 0.747) 2.517 25.471 ( -0.670 0.943 2.533) 2.784 25.583 ( -2.452 10.006 7.306) 12.630 26.028 ( 2.241 0.073 -11.461) 11.678 27.584 ( 3.447 7.243 -0.316) 8.027 27.991 ( 1.949 -4.680 9.051) 10.374 28.191 ( -4.875 -6.073 3.214) 8.425 28.996 ( 8.119 2.822 -5.965) 10.462 29.461 ( -3.173 -5.068 3.108) 6.738 30.384 ( 1.579 -5.371 1.375) 5.765 30.527 ( -0.025 -1.892 1.611) 2.484 33.637 ( 4.812 1.008 -1.376) 5.106 34.164 ( -4.178 0.208 -5.352) 6.793 35.778 ( -0.868 -0.785 -0.540) 1.288 44.813 ( 0.571 0.144 2.487) 2.556 ======================= Grid point 220 (85/186) ======================= q-point: ( 0.00 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( 0.000 -70.896 -0.000) 70.896 1.781 ( 0.000 -79.342 -0.000) 79.342 2.756 ( 0.000 -119.236 -0.000) 119.236 7.981 ( 0.000 0.265 0.000) 0.265 8.649 ( 0.000 8.719 0.000) 8.719 9.303 ( 0.000 20.786 0.000) 20.786 10.619 ( 0.000 -19.341 -0.000) 19.341 13.228 ( 0.000 53.042 0.000) 53.042 13.456 ( 0.000 31.580 0.000) 31.580 14.327 ( 0.000 12.877 0.000) 12.877 14.496 ( 0.000 8.069 0.000) 8.069 15.273 ( 0.000 -12.258 -0.000) 12.258 15.301 ( 0.000 -14.011 -0.000) 14.011 15.909 ( 0.000 -8.080 -0.000) 8.080 16.045 ( 0.000 -19.957 -0.000) 19.957 16.528 ( 0.000 -36.686 -0.000) 36.686 17.394 ( 0.000 -1.280 -0.000) 1.280 18.867 ( 0.000 0.243 0.000) 0.243 19.359 ( 0.000 8.760 0.000) 8.760 19.362 ( 0.000 13.140 0.000) 13.140 19.598 ( 0.000 -0.812 -0.000) 0.812 19.886 ( 0.000 -8.934 -0.000) 8.934 20.688 ( 0.000 -8.601 -0.000) 8.601 21.083 ( 0.000 2.126 0.000) 2.126 21.298 ( 0.000 -5.317 -0.000) 5.317 21.778 ( 0.000 12.925 0.000) 12.925 22.435 ( 0.000 1.278 0.000) 1.278 22.919 ( 0.000 9.166 0.000) 9.166 23.018 ( 0.000 7.551 0.000) 7.551 23.411 ( 0.000 -14.164 -0.000) 14.164 23.564 ( 0.000 -6.772 -0.000) 6.772 23.909 ( 0.000 32.798 0.000) 32.798 24.009 ( 0.000 0.895 0.000) 0.895 24.438 ( 0.000 1.002 0.000) 1.002 25.063 ( 0.000 0.432 0.000) 0.432 25.724 ( 0.000 5.921 0.000) 5.921 26.039 ( 0.000 -19.533 -0.000) 19.533 27.014 ( 0.000 0.350 0.000) 0.350 27.803 ( 0.000 -7.238 -0.000) 7.238 28.114 ( 0.000 3.392 0.000) 3.392 28.468 ( 0.000 -1.608 -0.000) 1.608 30.045 ( 0.000 -1.691 -0.000) 1.691 30.467 ( 0.000 -2.670 -0.000) 2.670 31.309 ( 0.000 1.931 0.000) 1.931 31.373 ( 0.000 -0.966 -0.000) 0.966 34.855 ( 0.000 -1.230 -0.000) 1.230 35.995 ( 0.000 -0.080 -0.000) 0.080 44.686 ( 0.000 0.316 0.000) 0.316 ======================= Grid point 221 (86/186) ======================= q-point: ( 0.09 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.639 ( 71.135 -56.682 -0.000) 90.956 2.804 ( 58.329 -67.693 -0.000) 89.357 3.656 ( 110.920 -63.296 -0.000) 127.709 7.989 ( 0.885 0.004 0.000) 0.885 9.193 ( 28.685 28.856 0.000) 40.688 9.297 ( 0.905 22.581 0.000) 22.599 10.557 ( -5.144 -21.192 -0.000) 21.807 13.295 ( 3.627 46.662 0.000) 46.803 13.407 ( -2.695 33.057 0.000) 33.167 14.125 ( -17.387 9.380 0.000) 19.756 14.412 ( -5.879 -0.200 -0.000) 5.883 15.131 ( -8.052 -10.330 -0.000) 13.097 15.379 ( 4.721 -7.155 -0.000) 8.573 15.856 ( 0.109 -10.815 -0.000) 10.815 16.049 ( 0.003 -17.819 -0.000) 17.819 16.531 ( 0.264 -37.012 -0.000) 37.013 17.520 ( 6.344 -1.054 -0.000) 6.431 18.614 ( -11.067 -7.525 -0.000) 13.383 18.733 ( -36.861 2.302 0.000) 36.932 19.456 ( -8.522 -0.130 -0.000) 8.523 19.686 ( -0.324 4.991 0.000) 5.002 19.905 ( 4.080 5.452 0.000) 6.809 20.379 ( -22.850 -5.673 -0.000) 23.544 21.239 ( 9.969 -4.001 -0.000) 10.742 21.460 ( 12.485 -3.246 -0.000) 12.900 21.853 ( 6.591 11.650 0.000) 13.386 22.390 ( -2.157 -0.578 -0.000) 2.233 22.891 ( -4.045 7.071 0.000) 8.146 22.935 ( -8.264 4.655 0.000) 9.484 23.335 ( -16.672 -6.171 -0.000) 17.777 23.477 ( 3.099 -2.940 -0.000) 4.272 23.879 ( -1.822 22.870 0.000) 22.943 24.069 ( 5.038 -2.526 -0.000) 5.635 24.499 ( 5.565 0.658 0.000) 5.603 25.146 ( 7.895 0.725 0.000) 7.928 25.676 ( -3.921 5.792 0.000) 6.995 26.060 ( 2.408 -16.818 -0.000) 16.990 27.163 ( 14.926 0.325 0.000) 14.930 27.681 ( -11.012 -3.845 -0.000) 11.664 28.102 ( -0.634 0.926 0.000) 1.123 28.484 ( 1.420 -2.463 -0.000) 2.843 30.067 ( 2.273 -1.807 -0.000) 2.904 30.423 ( -6.382 -2.488 -0.000) 6.850 30.782 ( -22.649 0.020 0.000) 22.649 31.993 ( 33.246 1.034 0.000) 33.262 34.809 ( -4.773 -1.149 -0.000) 4.909 35.974 ( -2.089 -0.113 -0.000) 2.092 44.699 ( 1.229 0.302 0.000) 1.265 ======================= Grid point 222 (87/186) ======================= q-point: ( 0.18 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.729 ( 52.843 -62.817 -0.000) 82.087 4.307 ( 86.763 -30.774 -0.000) 92.059 6.161 ( 131.422 -26.149 -0.000) 133.998 8.018 ( 2.469 -1.193 -0.000) 2.742 9.251 ( -2.615 20.183 0.000) 20.352 9.636 ( 17.284 23.355 0.000) 29.055 10.441 ( -6.889 -21.968 -0.000) 23.022 13.119 ( -17.232 19.100 0.000) 25.725 13.480 ( -4.832 32.210 0.000) 32.570 13.808 ( -4.450 20.564 0.000) 21.040 14.345 ( -0.324 1.294 0.000) 1.334 14.995 ( -5.773 -2.452 -0.000) 6.273 15.475 ( 4.518 0.155 0.000) 4.521 15.924 ( 3.267 -13.667 -0.000) 14.052 16.071 ( 4.635 -8.619 -0.000) 9.786 16.537 ( 0.267 -36.862 -0.000) 36.863 17.462 ( -12.490 0.044 0.000) 12.490 17.914 ( -41.325 -2.241 -0.000) 41.385 18.713 ( 14.332 -6.340 -0.000) 15.672 19.168 ( -19.523 -4.130 -0.000) 19.955 19.587 ( -8.062 1.737 0.000) 8.247 19.857 ( -14.280 -5.727 -0.000) 15.386 20.079 ( -1.111 19.478 0.000) 19.510 21.423 ( 8.358 -8.322 -0.000) 11.794 21.663 ( 7.658 -2.133 -0.000) 7.949 21.982 ( 5.780 11.612 0.000) 12.971 22.347 ( -4.902 1.379 0.000) 5.092 22.619 ( -24.019 3.297 0.000) 24.245 22.799 ( -6.490 -3.758 -0.000) 7.499 22.936 ( -19.184 -1.908 -0.000) 19.278 23.630 ( 10.537 6.420 0.000) 12.339 23.829 ( -3.788 15.221 0.000) 15.685 24.167 ( 4.666 -7.096 -0.000) 8.492 24.622 ( 6.440 -0.183 -0.000) 6.443 25.337 ( 10.883 0.600 0.000) 10.900 25.622 ( -0.561 8.223 0.000) 8.242 26.087 ( -1.121 -11.232 -0.000) 11.288 27.434 ( -5.876 -1.336 -0.000) 6.026 27.593 ( 22.107 1.032 0.000) 22.131 28.080 ( -1.696 0.156 0.000) 1.704 28.502 ( -0.124 -3.503 -0.000) 3.505 30.121 ( -5.877 -1.714 -0.000) 6.122 30.139 ( -9.997 -2.343 -0.000) 10.268 30.565 ( -3.172 -1.529 -0.000) 3.522 32.603 ( 29.080 1.050 0.000) 29.099 34.674 ( -8.867 -0.912 -0.000) 8.914 35.919 ( -3.362 -0.236 -0.000) 3.370 44.732 ( 2.069 0.258 0.000) 2.085 ======================= Grid point 223 (88/186) ======================= q-point: ( 0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.802 ( 56.659 -42.521 -0.000) 70.840 5.954 ( 81.063 -19.332 -0.000) 83.336 7.973 ( 11.792 2.716 0.000) 12.101 8.536 ( 82.351 -18.561 -0.000) 84.417 9.177 ( -5.253 19.078 0.000) 19.788 10.013 ( 20.923 12.399 0.000) 24.321 10.332 ( 5.059 -17.054 -0.000) 17.789 12.732 ( -19.963 5.699 0.000) 20.761 13.072 ( -26.863 4.575 0.000) 27.249 14.039 ( 17.635 31.574 0.000) 36.165 14.415 ( 7.831 15.369 0.000) 17.250 14.895 ( -5.124 -0.495 -0.000) 5.148 15.542 ( 2.416 4.661 0.000) 5.250 15.867 ( -8.805 -8.720 -0.000) 12.392 16.270 ( 12.726 -1.702 -0.000) 12.840 16.526 ( -2.065 -28.311 -0.000) 28.387 17.119 ( -20.709 0.176 0.000) 20.710 17.232 ( -25.030 -15.771 -0.000) 29.584 18.734 ( -23.166 -6.325 -0.000) 24.014 18.990 ( 6.893 -1.644 -0.000) 7.087 19.360 ( -12.482 -10.096 -0.000) 16.054 19.747 ( 6.910 -1.019 -0.000) 6.985 20.103 ( 1.392 29.663 0.000) 29.696 21.533 ( -0.758 -6.045 -0.000) 6.093 21.734 ( -8.702 -7.115 -0.000) 11.240 21.834 ( -30.576 2.694 0.000) 30.694 22.059 ( 1.680 13.237 0.000) 13.343 22.332 ( -10.227 -4.494 -0.000) 11.170 22.665 ( -8.149 0.811 0.000) 8.189 22.689 ( -3.904 -3.890 -0.000) 5.511 23.643 ( -10.533 9.395 0.000) 14.114 23.910 ( 12.404 5.927 0.000) 13.747 24.251 ( 4.028 -7.146 -0.000) 8.203 24.738 ( 5.638 0.165 0.000) 5.641 25.537 ( 9.150 1.026 0.000) 9.208 25.666 ( 4.374 8.748 0.000) 9.780 25.983 ( -9.023 -3.712 -0.000) 9.757 27.368 ( 2.065 -0.687 -0.000) 2.176 28.037 ( -1.471 0.028 0.000) 1.471 28.126 ( 27.757 0.920 0.000) 27.772 28.466 ( -3.754 -3.875 -0.000) 5.395 29.785 ( -15.077 -2.692 -0.000) 15.316 30.211 ( 4.351 -2.819 -0.000) 5.184 30.536 ( -0.731 -1.586 -0.000) 1.746 33.104 ( 22.191 0.974 0.000) 22.213 34.476 ( -11.176 -0.553 -0.000) 11.190 35.852 ( -3.364 -0.395 -0.000) 3.387 44.775 ( 2.249 0.197 0.000) 2.257 ======================= Grid point 224 (89/186) ======================= q-point: ( 0.36 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.873 ( 52.006 -28.171 -0.000) 59.145 7.372 ( 61.761 -8.292 -0.000) 62.316 8.070 ( 5.228 1.993 0.000) 5.595 9.029 ( -9.979 12.512 0.000) 16.004 9.409 ( 12.863 -6.504 -0.000) 14.414 9.964 ( -10.522 -18.198 -0.000) 21.021 11.210 ( 43.899 24.264 0.000) 50.158 12.433 ( -16.199 -2.567 -0.000) 16.401 12.748 ( 14.392 -20.550 -0.000) 25.088 14.342 ( 12.585 7.848 0.000) 14.831 14.643 ( 14.267 41.752 0.000) 44.122 14.781 ( -6.666 -2.030 -0.000) 6.969 15.560 ( -5.471 2.570 0.000) 6.045 15.605 ( -11.487 6.046 0.000) 12.981 16.385 ( -3.205 -15.562 -0.000) 15.889 16.518 ( -0.024 -0.818 -0.000) 0.818 16.774 ( -8.474 3.143 0.000) 9.038 17.026 ( 1.359 -34.378 -0.000) 34.405 18.277 ( -22.734 -9.557 -0.000) 24.661 18.932 ( -9.309 -2.850 -0.000) 9.735 19.189 ( -6.665 -9.239 -0.000) 11.392 20.056 ( 16.269 10.542 0.000) 19.386 20.134 ( 4.986 27.506 0.000) 27.954 20.792 ( -46.339 -4.864 -0.000) 46.593 21.613 ( -3.801 2.644 0.000) 4.630 21.737 ( -4.792 -9.354 -0.000) 10.510 22.032 ( -6.078 3.306 0.000) 6.919 22.103 ( -6.752 3.391 0.000) 7.556 22.582 ( -2.217 -6.036 -0.000) 6.431 22.695 ( 4.550 -0.080 -0.000) 4.551 23.384 ( -14.956 3.009 0.000) 15.256 24.136 ( 9.952 3.999 0.000) 10.725 24.321 ( 2.983 -4.124 -0.000) 5.090 24.849 ( 5.897 2.138 0.000) 6.273 25.659 ( -5.534 2.746 0.000) 6.178 25.694 ( 3.358 0.849 0.000) 3.464 25.868 ( 1.595 6.115 0.000) 6.320 27.493 ( 9.341 1.410 0.000) 9.447 28.001 ( -1.209 -1.253 -0.000) 1.741 28.347 ( -8.038 -4.341 -0.000) 9.136 28.640 ( 22.758 1.573 0.000) 22.812 29.554 ( -8.814 -3.506 -0.000) 9.486 30.290 ( 3.521 -3.680 -0.000) 5.093 30.527 ( -0.276 -1.407 -0.000) 1.434 33.454 ( 13.785 0.883 0.000) 13.813 34.263 ( -10.061 -0.145 -0.000) 10.062 35.796 ( -2.304 -0.530 -0.000) 2.364 44.814 ( 1.714 0.140 0.000) 1.720 ======================= Grid point 225 (90/186) ======================= q-point: ( 0.45 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.696 ( 27.273 -21.719 -0.000) 34.864 8.054 ( 12.203 7.941 0.000) 14.560 8.264 ( 1.754 18.925 0.000) 19.006 8.970 ( 14.302 -20.972 -0.000) 25.384 9.373 ( -12.966 -13.817 -0.000) 18.948 9.850 ( -1.354 -9.907 -0.000) 9.999 11.402 ( -5.946 34.696 0.000) 35.202 12.145 ( -8.430 -5.575 -0.000) 10.107 13.570 ( 39.857 -30.181 -0.000) 49.995 14.521 ( 5.528 -0.948 -0.000) 5.609 14.631 ( -7.871 -5.223 -0.000) 9.447 14.892 ( 9.095 51.424 0.000) 52.222 15.288 ( -10.410 6.192 0.000) 12.112 15.585 ( 0.115 5.545 0.000) 5.546 16.330 ( -1.929 -9.395 -0.000) 9.591 16.362 ( -6.827 -7.723 -0.000) 10.307 16.861 ( 7.836 8.168 0.000) 11.319 17.120 ( 4.514 -38.967 -0.000) 39.228 17.915 ( -11.857 -11.987 -0.000) 16.861 18.700 ( -12.239 1.404 0.000) 12.319 19.085 ( -3.023 -3.200 -0.000) 4.402 19.936 ( -18.535 -5.312 -0.000) 19.281 20.129 ( -0.381 33.945 0.000) 33.947 20.681 ( 22.796 2.744 0.000) 22.961 21.301 ( -22.299 9.141 0.000) 24.100 21.703 ( 0.008 -14.052 -0.000) 14.052 21.966 ( -0.340 -11.822 -0.000) 11.827 22.041 ( -1.804 14.308 0.000) 14.422 22.557 ( -0.531 -7.325 -0.000) 7.344 22.838 ( 9.393 -0.041 -0.000) 9.393 23.100 ( -13.211 0.624 0.000) 13.226 24.275 ( 3.998 -0.582 -0.000) 4.040 24.359 ( 0.831 1.054 0.000) 1.342 24.952 ( 3.803 3.907 0.000) 5.452 25.489 ( -6.372 0.514 0.000) 6.393 25.771 ( 2.227 2.764 0.000) 3.549 25.926 ( 2.124 6.395 0.000) 6.739 27.663 ( 6.060 7.060 0.000) 9.304 28.016 ( 3.603 -4.419 -0.000) 5.702 28.167 ( -9.467 -5.923 -0.000) 11.167 28.963 ( 9.310 2.248 0.000) 9.578 29.437 ( -3.338 -4.003 -0.000) 5.212 30.339 ( 1.396 -4.423 -0.000) 4.638 30.524 ( -0.062 -1.316 -0.000) 1.317 33.635 ( 4.747 0.799 0.000) 4.814 34.116 ( -4.289 0.168 0.000) 4.293 35.765 ( -0.787 -0.602 -0.000) 0.991 44.838 ( 0.638 0.106 0.000) 0.647 ======================= Grid point 253 (91/186) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.121 ( 0.000 -0.000 46.291) 46.291 6.808 ( 0.000 -0.000 64.468) 64.468 7.934 ( 0.000 0.000 -1.707) 1.707 8.255 ( 0.000 0.000 -22.735) 22.735 8.850 ( 0.000 -0.000 18.687) 18.687 9.548 ( 0.000 -0.000 61.443) 61.443 11.042 ( 0.000 -0.000 58.351) 58.351 11.874 ( 0.000 0.000 -23.207) 23.207 12.404 ( 0.000 0.000 -56.628) 56.628 13.663 ( 0.000 0.000 -30.018) 30.018 14.793 ( 0.000 -0.000 8.267) 8.267 15.057 ( 0.000 0.000 -8.932) 8.932 15.176 ( 0.000 0.000 -14.591) 14.591 16.078 ( 0.000 -0.000 5.126) 5.126 17.048 ( 0.000 -0.000 43.700) 43.700 17.058 ( 0.000 -0.000 13.106) 13.106 17.806 ( 0.000 0.000 -9.599) 9.599 18.069 ( 0.000 -0.000 3.630) 3.630 18.152 ( 0.000 -0.000 16.270) 16.270 19.215 ( 0.000 -0.000 4.226) 4.226 19.749 ( 0.000 0.000 -49.146) 49.146 20.071 ( 0.000 0.000 -18.747) 18.747 20.137 ( 0.000 -0.000 22.838) 22.838 21.033 ( 0.000 0.000 -39.535) 39.535 21.397 ( 0.000 0.000 -9.416) 9.416 21.696 ( 0.000 -0.000 24.241) 24.241 22.394 ( 0.000 0.000 -17.658) 17.658 22.525 ( 0.000 -0.000 0.523) 0.523 22.647 ( 0.000 -0.000 8.202) 8.202 22.925 ( 0.000 0.000 -14.484) 14.484 23.174 ( 0.000 -0.000 13.807) 13.807 24.090 ( 0.000 -0.000 1.974) 1.974 24.684 ( 0.000 -0.000 5.979) 5.979 24.951 ( 0.000 -0.000 9.464) 9.464 25.058 ( 0.000 -0.000 2.009) 2.009 25.222 ( 0.000 0.000 -12.527) 12.527 26.311 ( 0.000 -0.000 10.749) 10.749 26.904 ( 0.000 0.000 -3.943) 3.943 27.365 ( 0.000 0.000 -3.684) 3.684 27.894 ( 0.000 0.000 -4.600) 4.600 28.655 ( 0.000 -0.000 2.483) 2.483 30.149 ( 0.000 -0.000 4.944) 4.944 30.330 ( 0.000 0.000 -2.779) 2.779 31.171 ( 0.000 0.000 -1.311) 1.311 31.242 ( 0.000 0.000 -1.120) 1.120 34.968 ( 0.000 -0.000 0.658) 0.658 36.289 ( 0.000 -0.000 3.389) 3.389 44.646 ( 0.000 0.000 -0.679) 0.679 ======================= Grid point 254 (92/186) ======================= q-point: ( 0.09 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.290 ( 17.066 -0.000 43.834) 47.039 6.926 ( 12.292 -0.000 61.624) 62.838 7.945 ( 1.651 0.000 -4.655) 4.940 8.402 ( 14.260 0.000 -18.576) 23.418 8.922 ( 7.694 -0.000 18.001) 19.576 9.724 ( 16.138 -0.000 40.722) 43.803 11.095 ( 6.201 -0.000 48.665) 49.058 11.834 ( -4.155 0.000 -24.065) 24.421 12.641 ( 23.840 0.000 -29.663) 38.056 13.654 ( -1.191 0.000 -28.990) 29.014 14.541 ( -20.166 -0.000 3.905) 20.540 15.118 ( 4.895 0.000 -6.206) 7.905 15.266 ( 4.067 0.000 -8.362) 9.298 16.037 ( -3.175 -0.000 6.456) 7.194 17.053 ( 0.474 -0.000 39.385) 39.388 17.160 ( 10.418 -0.000 10.525) 14.809 17.782 ( -2.338 0.000 -7.876) 8.215 17.922 ( -9.646 -0.000 6.152) 11.441 18.342 ( 13.877 -0.000 14.071) 19.763 19.186 ( -2.579 -0.000 3.685) 4.498 19.599 ( -14.515 0.000 -43.939) 46.275 20.109 ( 3.478 0.000 -18.299) 18.627 20.129 ( -1.008 -0.000 20.014) 20.039 21.115 ( 7.350 0.000 -39.767) 40.441 21.139 ( -18.333 -0.000 3.091) 18.592 21.850 ( 6.788 -0.000 6.027) 9.078 22.198 ( -38.830 -0.000 7.537) 39.554 22.417 ( 2.722 0.000 -12.721) 13.009 22.562 ( 4.272 -0.000 2.149) 4.782 22.822 ( -9.663 0.000 -16.393) 19.029 23.257 ( 5.858 -0.000 8.705) 10.492 24.026 ( -5.897 -0.000 0.864) 5.960 24.667 ( -2.958 -0.000 5.630) 6.360 24.862 ( -9.808 -0.000 9.113) 13.388 25.239 ( 2.532 0.000 -11.138) 11.423 25.298 ( 19.299 -0.000 7.756) 20.799 26.344 ( 3.978 -0.000 6.993) 8.045 26.937 ( 3.494 0.000 -5.390) 6.423 27.374 ( 1.461 0.000 -1.158) 1.864 27.876 ( -1.872 0.000 -4.852) 5.201 28.666 ( 1.231 -0.000 2.506) 2.792 30.161 ( 1.162 -0.000 4.685) 4.826 30.334 ( 0.327 0.000 -2.571) 2.591 30.520 ( -32.718 0.000 -1.736) 32.764 31.931 ( 36.685 0.000 -0.657) 36.691 34.937 ( -3.101 -0.000 1.040) 3.271 36.252 ( -3.771 -0.000 3.227) 4.964 44.644 ( -0.219 0.000 -0.835) 0.863 ======================= Grid point 255 (93/186) ======================= q-point: ( 0.18 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.762 ( 30.888 -0.000 37.516) 48.595 7.284 ( 24.182 -0.000 48.161) 53.892 8.005 ( 4.369 0.000 -6.439) 7.781 8.772 ( 22.893 0.000 -12.598) 26.130 9.142 ( 14.337 -0.000 13.036) 19.378 10.075 ( 17.899 -0.000 18.528) 25.762 11.332 ( 19.556 -0.000 25.645) 32.251 11.710 ( -8.724 0.000 -26.408) 27.812 13.285 ( 40.758 -0.000 17.360) 44.301 13.593 ( -6.132 0.000 -23.399) 24.189 14.128 ( -20.645 0.000 -1.007) 20.669 15.142 ( -5.137 -0.000 3.404) 6.162 15.270 ( -3.129 0.000 -3.913) 5.010 16.032 ( 4.592 -0.000 9.259) 10.335 17.070 ( 1.626 -0.000 27.399) 27.448 17.440 ( 16.693 -0.000 1.964) 16.808 17.723 ( -3.629 0.000 -4.007) 5.406 17.729 ( -8.755 -0.000 10.717) 13.839 18.628 ( 12.442 -0.000 12.929) 17.943 19.165 ( 3.499 -0.000 3.929) 5.261 19.223 ( -23.733 0.000 -30.402) 38.569 20.077 ( -5.084 -0.000 14.921) 15.763 20.170 ( 1.233 0.000 -16.096) 16.143 20.799 ( -15.079 -0.000 5.787) 16.151 21.252 ( -6.303 0.000 -27.153) 27.875 21.366 ( -31.278 0.000 -14.369) 34.421 21.868 ( -3.751 0.000 -8.826) 9.590 22.460 ( 0.485 0.000 -3.971) 4.001 22.608 ( -11.527 0.000 -17.240) 20.739 22.714 ( 10.591 -0.000 6.568) 12.463 23.350 ( 3.218 -0.000 3.616) 4.841 23.890 ( -7.531 0.000 -1.416) 7.663 24.534 ( -10.478 -0.000 3.233) 10.965 24.590 ( -17.545 -0.000 5.471) 18.378 25.340 ( 7.570 0.000 -7.064) 10.354 25.579 ( 7.305 -0.000 14.134) 15.910 26.465 ( 6.808 -0.000 4.470) 8.144 27.043 ( 6.992 0.000 -9.953) 12.163 27.460 ( 8.793 -0.000 3.442) 9.443 27.825 ( -3.259 0.000 -5.475) 6.372 28.708 ( 3.368 -0.000 2.559) 4.230 29.959 ( -24.370 0.000 -1.580) 24.421 30.192 ( 1.989 -0.000 3.999) 4.466 30.345 ( 0.638 0.000 -2.414) 2.496 32.605 ( 32.196 0.000 -0.154) 32.196 34.854 ( -5.266 -0.000 1.910) 5.602 36.150 ( -6.471 -0.000 2.781) 7.044 44.638 ( -0.373 0.000 -1.258) 1.312 ======================= Grid point 256 (94/186) ======================= q-point: ( 0.27 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.448 ( 38.490 -0.000 29.329) 48.390 7.821 ( 29.313 -0.000 24.842) 38.424 8.107 ( 6.015 0.000 -6.096) 8.564 9.242 ( 23.920 0.000 -3.920) 24.239 9.447 ( 16.217 -0.000 11.296) 19.763 10.397 ( 16.659 -0.000 19.370) 25.548 11.502 ( -12.091 0.000 -29.559) 31.936 11.856 ( 32.567 -0.000 4.801) 32.919 13.373 ( -16.692 0.000 -10.187) 19.555 13.799 ( -12.758 0.000 -15.021) 19.708 14.090 ( 34.730 -0.000 40.694) 53.499 14.959 ( -6.387 -0.000 13.108) 14.582 15.183 ( -4.932 0.000 -2.208) 5.404 16.197 ( 10.250 -0.000 20.872) 23.253 17.133 ( 4.995 -0.000 12.068) 13.061 17.494 ( -7.252 0.000 -0.684) 7.284 17.631 ( -6.847 -0.000 2.234) 7.202 17.890 ( 21.349 -0.000 11.468) 24.234 18.682 ( -5.672 -0.000 8.532) 10.245 18.698 ( -28.859 0.000 -15.420) 32.720 19.444 ( 22.910 -0.000 8.647) 24.488 19.913 ( -11.973 -0.000 11.634) 16.694 20.080 ( -10.772 0.000 -7.011) 12.853 20.477 ( -39.863 0.000 -13.136) 41.972 20.632 ( -1.330 0.000 -2.811) 3.109 21.457 ( 8.335 0.000 -37.979) 38.883 21.757 ( -6.682 0.000 -14.897) 16.327 22.398 ( -9.754 0.000 -20.553) 22.750 22.424 ( -4.397 -0.000 1.676) 4.705 22.908 ( 8.365 -0.000 9.649) 12.770 23.371 ( -1.234 -0.000 0.753) 1.445 23.739 ( -8.445 0.000 -2.264) 8.743 24.222 ( -18.985 0.000 -0.771) 19.001 24.305 ( -11.431 0.000 -0.863) 11.463 25.509 ( 9.156 0.000 -3.593) 9.836 25.616 ( -1.564 -0.000 10.028) 10.149 26.542 ( 1.028 -0.000 10.540) 10.590 27.163 ( 4.597 0.000 -11.105) 12.019 27.718 ( 15.434 -0.000 3.875) 15.913 27.755 ( -3.752 0.000 -6.187) 7.236 28.814 ( 8.072 -0.000 2.195) 8.365 29.582 ( -14.602 0.000 -1.057) 14.640 30.234 ( 2.214 -0.000 3.125) 3.830 30.358 ( 0.680 0.000 -1.958) 2.073 33.160 ( 24.529 -0.000 0.279) 24.531 34.741 ( -6.141 -0.000 2.943) 6.810 36.015 ( -7.075 -0.000 2.130) 7.389 44.630 ( -0.414 0.000 -1.820) 1.866 ======================= Grid point 257 (95/186) ======================= q-point: ( 0.36 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.185 ( 34.845 -0.000 20.305) 40.330 8.246 ( 8.988 0.000 -5.368) 10.469 8.339 ( 22.107 -0.000 2.890) 22.295 9.602 ( 9.977 -0.000 11.199) 14.999 9.720 ( 10.608 -0.000 14.473) 17.945 10.814 ( 28.474 -0.000 23.374) 36.838 11.302 ( -6.022 0.000 -31.970) 32.532 12.415 ( 16.878 -0.000 4.065) 17.361 13.002 ( -19.786 0.000 -14.428) 24.488 13.605 ( -7.856 0.000 -17.429) 19.118 14.277 ( -2.261 -0.000 22.115) 22.230 15.101 ( -3.226 0.000 -2.145) 3.874 15.300 ( 31.794 -0.000 25.153) 40.541 16.373 ( 6.431 -0.000 36.859) 37.416 17.202 ( -4.169 -0.000 4.351) 6.026 17.391 ( -2.710 -0.000 0.702) 2.800 17.408 ( -11.704 -0.000 23.973) 26.678 18.263 ( -11.225 0.000 -24.357) 26.819 18.290 ( 14.684 -0.000 11.974) 18.947 18.549 ( -1.877 -0.000 6.881) 7.132 19.611 ( -19.181 -0.000 15.747) 24.817 19.661 ( -12.979 -0.000 7.539) 15.010 19.820 ( -26.687 0.000 -17.646) 31.994 20.074 ( 21.747 0.000 -1.792) 21.820 20.677 ( 3.862 0.000 -8.517) 9.352 21.603 ( 6.317 0.000 -32.902) 33.503 21.637 ( -5.078 0.000 -16.702) 17.457 22.235 ( -7.026 0.000 -25.105) 26.070 22.281 ( -10.372 -0.000 7.315) 12.692 23.032 ( 4.912 -0.000 9.587) 10.773 23.311 ( -4.017 0.000 -3.047) 5.042 23.541 ( -11.776 -0.000 1.320) 11.850 23.904 ( -13.001 0.000 -8.594) 15.584 24.152 ( -3.894 0.000 -7.389) 8.352 25.569 ( -2.592 -0.000 4.355) 5.068 25.672 ( 7.164 0.000 -1.485) 7.316 26.533 ( -1.162 -0.000 15.383) 15.426 27.225 ( 2.117 0.000 -10.525) 10.736 27.687 ( -3.064 0.000 -6.755) 7.418 27.961 ( 8.567 -0.000 4.678) 9.761 29.016 ( 11.611 -0.000 0.943) 11.649 29.379 ( -6.875 0.000 -0.230) 6.879 30.273 ( 1.725 -0.000 2.346) 2.912 30.370 ( 0.527 0.000 -1.528) 1.616 33.545 ( 14.992 -0.000 0.605) 15.005 34.627 ( -5.275 -0.000 3.940) 6.584 35.892 ( -5.238 -0.000 1.450) 5.435 44.623 ( -0.323 0.000 -2.342) 2.364 ======================= Grid point 258 (96/186) ======================= q-point: ( 0.45 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.669 ( 12.539 -0.000 11.463) 16.989 8.470 ( 11.561 0.000 -6.590) 13.307 8.631 ( 7.623 0.000 -8.349) 11.305 9.592 ( -6.775 -0.000 25.929) 26.799 9.846 ( 2.822 -0.000 17.677) 17.901 11.307 ( 3.818 0.000 -26.130) 26.408 11.494 ( 38.612 -0.000 25.042) 46.022 12.270 ( -27.975 -0.000 12.864) 30.791 12.678 ( -10.886 0.000 -30.542) 32.424 13.497 ( -2.932 0.000 -12.973) 13.300 14.480 ( 17.168 -0.000 13.000) 21.535 15.060 ( -1.081 0.000 -2.233) 2.481 15.776 ( 16.894 -0.000 8.492) 18.908 16.218 ( -23.144 -0.000 32.401) 39.819 17.114 ( 7.104 -0.000 37.149) 37.822 17.355 ( -1.520 -0.000 22.363) 22.415 17.377 ( 0.411 0.000 -1.831) 1.877 18.208 ( 0.740 0.000 -36.600) 36.607 18.282 ( -4.456 -0.000 16.037) 16.645 18.818 ( 18.769 -0.000 11.662) 22.097 19.251 ( -12.614 -0.000 17.918) 21.913 19.316 ( -18.058 0.000 -1.236) 18.101 19.465 ( -10.171 0.000 -8.214) 13.074 20.490 ( 14.914 0.000 -2.604) 15.140 20.730 ( 0.789 0.000 -8.455) 8.491 21.584 ( -0.354 0.000 -16.532) 16.536 21.689 ( 2.367 0.000 -26.419) 26.525 22.063 ( -9.233 -0.000 12.798) 15.781 22.133 ( -3.010 0.000 -29.450) 29.603 23.121 ( 4.254 -0.000 6.974) 8.169 23.255 ( -1.295 0.000 -9.598) 9.685 23.331 ( -8.221 -0.000 5.014) 9.629 23.729 ( -4.863 0.000 -12.565) 13.473 24.123 ( -0.194 0.000 -10.827) 10.829 25.532 ( -1.025 -0.000 1.216) 1.591 25.770 ( 2.709 0.000 -0.450) 2.746 26.514 ( -0.614 -0.000 17.612) 17.623 27.251 ( 0.629 0.000 -10.438) 10.457 27.644 ( -1.200 0.000 -7.065) 7.167 28.059 ( 2.166 -0.000 5.771) 6.164 29.199 ( 5.653 0.000 -0.012) 5.653 29.296 ( -2.036 -0.000 0.342) 2.065 30.297 ( 0.651 -0.000 1.893) 2.002 30.378 ( 0.208 0.000 -1.233) 1.251 33.738 ( 4.969 -0.000 0.788) 5.032 34.552 ( -2.168 -0.000 4.571) 5.059 35.821 ( -1.864 -0.000 1.018) 2.123 44.618 ( -0.122 0.000 -2.654) 2.657 ======================= Grid point 264 (97/186) ======================= q-point: ( 0.00 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.641 ( 0.000 8.184 6.667) 10.555 7.533 ( 0.000 -0.969 17.262) 17.289 7.903 ( 0.000 0.961 -1.898) 2.127 8.163 ( 0.000 -8.746 17.881) 19.905 9.403 ( 0.000 2.656 32.833) 32.940 10.110 ( 0.000 1.385 10.384) 10.476 11.448 ( 0.000 -0.040 -24.844) 24.844 11.450 ( 0.000 -6.587 -37.794) 38.364 12.116 ( 0.000 7.934 37.450) 38.281 13.073 ( 0.000 8.357 -38.375) 39.274 14.841 ( 0.000 -3.069 -16.934) 17.210 15.039 ( 0.000 -5.366 21.016) 21.691 15.195 ( 0.000 5.319 26.942) 27.462 16.118 ( 0.000 -2.557 0.157) 2.561 17.085 ( 0.000 -0.391 -4.775) 4.791 17.726 ( 0.000 -13.682 11.491) 17.867 17.776 ( 0.000 2.153 35.078) 35.144 18.368 ( 0.000 14.440 11.709) 18.591 18.451 ( 0.000 1.496 15.724) 15.795 18.746 ( 0.000 -0.788 -59.156) 59.161 19.269 ( 0.000 -6.570 7.076) 9.656 19.494 ( 0.000 -36.319 -20.312) 41.613 20.585 ( 0.000 25.524 -24.328) 35.261 20.607 ( 0.000 5.733 19.940) 20.748 21.286 ( 0.000 9.141 -10.437) 13.874 21.893 ( 0.000 1.002 -11.258) 11.303 22.215 ( 0.000 0.024 6.119) 6.119 22.527 ( 0.000 -1.820 1.321) 2.249 22.587 ( 0.000 -1.159 -14.758) 14.803 22.741 ( 0.000 5.883 -1.563) 6.087 23.479 ( 0.000 -1.073 14.811) 14.850 24.121 ( 0.000 0.329 0.905) 0.962 24.696 ( 0.000 -11.047 3.505) 11.590 24.990 ( 0.000 -4.081 -6.262) 7.475 25.108 ( 0.000 0.762 5.935) 5.983 25.110 ( 0.000 4.357 -2.724) 5.139 26.518 ( 0.000 2.809 9.829) 10.223 26.830 ( 0.000 -0.043 -3.675) 3.676 27.363 ( 0.000 -0.238 4.079) 4.086 27.815 ( 0.000 -0.199 -3.858) 3.863 28.687 ( 0.000 -0.023 1.118) 1.118 30.250 ( 0.000 -0.651 5.495) 5.533 30.287 ( 0.000 0.646 -1.279) 1.433 31.169 ( 0.000 -0.025 1.038) 1.039 31.221 ( 0.000 -0.008 -1.226) 1.226 34.978 ( 0.000 -0.070 0.443) 0.449 36.323 ( 0.000 -0.006 0.254) 0.254 44.637 ( 0.000 -0.002 -0.318) 0.318 ======================= Grid point 265 (98/186) ======================= q-point: ( 0.09 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.796 ( 15.615 7.920 7.473) 19.037 7.632 ( 9.330 -0.657 16.909) 19.324 7.848 ( -2.407 -0.381 -2.131) 3.237 8.361 ( 16.981 -7.062 15.553) 24.085 9.476 ( 4.736 2.820 36.362) 36.777 10.035 ( -0.436 0.732 -1.350) 1.596 11.288 ( -5.677 -6.316 -16.816) 18.838 11.429 ( -4.199 2.919 -21.226) 21.833 12.717 ( 47.968 3.827 16.863) 50.990 13.087 ( 1.688 9.033 -36.379) 37.522 14.612 ( -17.426 -2.292 -0.520) 17.583 15.152 ( 6.278 -4.912 7.647) 11.046 15.279 ( 6.449 4.041 26.710) 27.773 16.088 ( -1.784 -2.773 0.741) 3.380 17.142 ( 5.697 0.094 -6.971) 9.003 17.618 ( -8.253 -6.567 18.336) 21.153 17.822 ( 1.503 -5.328 26.920) 27.483 18.229 ( -7.380 13.862 11.054) 19.204 18.644 ( 4.998 -0.073 -11.437) 12.481 18.674 ( 1.601 1.113 -26.558) 26.630 19.232 ( -2.956 -6.999 7.002) 10.332 19.551 ( 4.963 -33.782 -21.897) 40.563 20.557 ( -2.927 13.128 -0.140) 13.451 20.633 ( 1.707 11.149 -3.612) 11.843 21.182 ( -8.575 13.859 -8.431) 18.349 21.833 ( -6.067 0.911 -10.402) 12.077 22.178 ( -37.657 0.586 -8.979) 38.717 22.298 ( 5.574 0.176 -0.644) 5.614 22.603 ( 2.663 -1.164 1.558) 3.297 22.648 ( -4.204 3.247 -0.614) 5.347 23.422 ( -2.415 -0.731 8.092) 8.476 24.036 ( -7.721 -0.158 -0.199) 7.726 24.692 ( -2.798 -7.963 3.874) 9.287 24.951 ( -7.767 -1.743 1.015) 8.025 25.061 ( 1.035 -0.421 -6.978) 7.066 25.472 ( 28.698 1.298 8.284) 29.898 26.470 ( -3.706 2.339 5.592) 7.104 26.844 ( 1.412 -0.096 -4.340) 4.565 27.412 ( 4.956 -0.005 5.480) 7.389 27.793 ( -2.302 -0.152 -4.119) 4.721 28.700 ( 1.377 -0.032 1.304) 1.897 30.257 ( 0.638 -0.662 5.152) 5.233 30.291 ( -0.039 0.643 -1.245) 1.402 30.513 ( -31.827 -0.024 0.822) 31.838 31.921 ( 36.837 0.009 -0.518) 36.841 34.951 ( -2.723 -0.066 0.512) 2.772 36.284 ( -3.920 -0.007 0.252) 3.928 44.633 ( -0.351 -0.002 -0.305) 0.465 ======================= Grid point 266 (99/186) ======================= q-point: ( 0.18 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.225 ( 27.839 7.244 8.939) 30.123 7.829 ( 6.235 -2.052 1.025) 6.644 7.870 ( 8.404 1.817 6.446) 10.747 8.765 ( 24.178 -6.277 13.024) 28.171 9.528 ( 3.850 1.509 22.514) 22.891 10.300 ( 25.061 1.407 8.557) 26.519 11.227 ( -5.895 -4.476 -23.216) 24.367 11.368 ( 3.944 0.771 -9.339) 10.167 13.077 ( -0.861 7.454 -30.940) 31.837 13.759 ( 53.440 4.184 7.305) 54.099 14.240 ( -20.096 -0.825 7.247) 21.379 15.207 ( -1.078 -2.815 0.076) 3.016 15.328 ( -4.883 -0.342 25.591) 26.054 16.168 ( 13.516 -2.164 9.132) 16.455 17.279 ( 6.752 0.186 -12.897) 14.559 17.428 ( -10.593 -1.964 15.943) 19.242 17.827 ( 0.412 -7.040 23.122) 24.173 18.118 ( -3.987 14.528 11.575) 18.998 18.506 ( -7.890 -2.795 -40.822) 41.671 18.901 ( 5.970 -1.335 15.775) 16.920 19.240 ( 9.004 -4.011 7.985) 12.685 19.656 ( 5.214 -30.147 -23.502) 38.579 20.448 ( -8.997 5.899 3.662) 11.365 20.630 ( -3.177 -1.457 0.462) 3.526 21.029 ( -8.832 21.821 -11.729) 26.301 21.287 ( -45.645 8.154 -7.809) 47.021 21.685 ( -8.762 1.250 -11.244) 14.309 22.378 ( -9.884 -0.144 -5.401) 11.264 22.401 ( -1.770 0.683 -3.553) 4.028 22.837 ( 12.730 -0.273 5.659) 13.933 23.401 ( -0.662 -0.424 1.642) 1.820 23.863 ( -9.346 -0.285 -1.913) 9.544 24.541 ( -12.246 -4.252 2.139) 13.138 24.669 ( -19.017 3.089 1.251) 19.307 25.196 ( 10.256 -8.219 -2.767) 13.431 25.882 ( 6.528 3.771 14.320) 16.183 26.509 ( 11.761 0.334 -0.744) 11.789 26.880 ( 2.177 -0.149 -6.298) 6.665 27.558 ( 10.414 0.297 6.871) 12.480 27.731 ( -3.895 -0.025 -4.780) 6.167 28.744 ( 3.282 -0.034 1.470) 3.597 29.952 ( -23.672 -0.055 0.866) 23.688 30.276 ( 1.167 -0.618 4.926) 5.100 30.318 ( 0.958 0.608 -0.441) 1.217 32.598 ( 32.366 0.036 -0.688) 32.374 34.877 ( -4.783 -0.059 0.606) 4.821 36.178 ( -6.721 -0.011 0.267) 6.727 44.624 ( -0.599 -0.001 -0.270) 0.657 ======================= Grid point 267 (100/186) ======================= q-point: ( 0.27 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.836 ( 33.916 6.167 9.462) 35.747 7.921 ( 5.628 -1.756 -9.634) 11.295 8.100 ( 12.628 2.042 4.853) 13.681 9.281 ( 28.209 -4.254 9.239) 29.987 9.699 ( 12.992 -0.682 13.026) 18.410 10.808 ( 23.545 2.789 25.633) 34.917 11.017 ( -13.385 -0.040 -24.437) 27.863 11.705 ( 30.216 -5.702 -13.041) 33.400 13.007 ( -6.896 8.402 -23.634) 26.014 13.839 ( -19.572 -0.331 9.364) 21.700 14.705 ( 36.063 3.019 6.339) 36.740 15.041 ( -13.312 -6.595 6.490) 16.212 15.190 ( -3.671 2.514 5.894) 7.385 16.591 ( 26.217 -2.647 10.004) 28.186 17.227 ( -6.343 1.365 19.001) 20.078 17.349 ( -1.640 -0.449 -9.480) 9.631 17.908 ( 6.236 0.668 18.156) 19.209 18.095 ( 4.296 7.157 7.341) 11.117 18.321 ( -13.337 -3.460 -21.021) 25.134 18.848 ( -7.575 -3.726 11.742) 14.462 19.604 ( 22.416 -1.577 6.266) 23.329 19.727 ( 2.133 -23.729 -17.706) 29.684 20.150 ( -29.286 2.380 1.688) 29.431 20.292 ( -27.297 -7.772 -3.469) 28.593 20.596 ( -6.694 0.440 7.113) 9.777 21.068 ( 2.069 31.068 -21.017) 37.566 21.521 ( -7.758 1.807 -11.183) 13.730 22.080 ( -15.739 -0.194 -11.500) 19.494 22.419 ( -0.847 -0.903 -1.526) 1.965 23.062 ( 9.501 -0.751 5.932) 11.226 23.371 ( -2.689 -0.062 -1.263) 2.971 23.691 ( -8.156 -0.491 -2.916) 8.676 24.210 ( -22.276 0.071 -0.945) 22.296 24.306 ( -15.721 2.596 0.870) 15.957 25.406 ( 10.550 -10.539 0.966) 14.944 25.815 ( -7.764 4.718 6.090) 10.937 26.769 ( 9.224 0.831 14.075) 16.848 26.936 ( 4.268 -0.428 -13.286) 13.961 27.649 ( -4.336 0.088 -5.450) 6.964 27.815 ( 14.817 0.201 6.058) 16.009 28.840 ( 7.081 0.030 0.736) 7.120 29.588 ( -13.917 -0.072 1.776) 14.030 30.301 ( 1.346 -0.679 4.087) 4.356 30.341 ( 1.276 0.654 0.133) 1.440 33.156 ( 24.708 0.056 -0.751) 24.719 34.773 ( -5.724 -0.054 0.535) 5.749 36.037 ( -7.362 -0.018 0.341) 7.370 44.611 ( -0.664 -0.001 -0.224) 0.700 ======================= Grid point 268 (101/186) ======================= q-point: ( 0.36 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.470 ( 28.602 4.192 8.728) 30.197 8.058 ( 9.147 -1.152 -12.719) 15.709 8.332 ( 10.502 1.585 -4.075) 11.376 9.788 ( 20.277 0.275 7.209) 21.522 9.964 ( 12.331 -2.417 12.764) 17.911 10.765 ( -8.521 -0.299 -25.949) 27.313 11.263 ( 25.650 1.273 24.513) 35.503 12.342 ( 24.207 -8.973 -8.777) 27.268 12.806 ( -11.381 12.452 -7.037) 18.278 13.523 ( -12.016 0.338 4.262) 12.754 14.552 ( -17.293 -9.343 12.193) 23.130 15.117 ( -0.979 2.626 2.040) 3.466 15.462 ( 23.965 4.349 -4.486) 24.767 16.946 ( 5.435 -0.334 -24.637) 25.231 17.261 ( 0.822 -6.074 7.073) 9.359 17.358 ( 14.531 1.398 42.808) 45.229 17.844 ( -25.836 3.325 4.603) 26.453 17.970 ( -6.246 5.636 1.249) 8.506 18.376 ( 19.308 -0.663 0.097) 19.320 18.682 ( -7.510 -5.720 10.836) 14.371 19.548 ( -15.815 -4.738 -9.145) 18.873 19.644 ( -13.437 -1.737 -7.795) 15.631 19.918 ( -13.269 -11.198 11.845) 21.018 20.119 ( 19.667 -1.579 4.576) 20.254 20.555 ( 2.044 1.764 2.233) 3.504 21.136 ( 4.421 18.393 -24.497) 30.951 21.399 ( -4.340 0.753 -8.856) 9.891 21.796 ( -12.974 -0.411 -19.392) 23.335 22.356 ( -5.754 -1.497 2.209) 6.343 23.180 ( 2.535 -2.468 5.709) 6.716 23.298 ( -4.641 2.059 -0.395) 5.092 23.553 ( -5.961 -0.940 0.051) 6.035 23.779 ( -19.911 -0.428 -4.540) 20.427 24.060 ( -9.194 6.720 -5.940) 12.844 25.563 ( 3.421 -9.670 3.472) 10.829 25.698 ( -1.683 2.469 0.647) 3.057 26.847 ( 1.063 1.556 15.986) 16.097 27.029 ( 4.027 -0.012 -9.463) 10.284 27.571 ( -3.460 0.214 -6.045) 6.969 28.059 ( 9.048 -0.111 5.742) 10.717 29.020 ( 10.709 0.129 -0.545) 10.724 29.395 ( -6.565 -0.087 2.177) 6.917 30.325 ( 1.093 -0.719 3.430) 3.671 30.364 ( 1.089 0.675 0.848) 1.537 33.544 ( 15.165 0.060 -0.695) 15.181 34.665 ( -5.025 -0.042 0.241) 5.031 35.909 ( -5.462 -0.032 0.473) 5.483 44.599 ( -0.516 -0.001 -0.181) 0.547 ======================= Grid point 269 (102/186) ======================= q-point: ( 0.45 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.823 ( 7.393 1.192 4.961) 8.983 8.288 ( 10.989 0.387 -13.169) 17.156 8.479 ( 4.042 0.918 -8.927) 9.842 9.935 ( -2.308 5.305 7.857) 9.757 10.115 ( 3.503 -4.527 13.052) 14.252 10.808 ( 8.632 2.519 -27.519) 28.951 11.836 ( 30.267 -8.482 14.732) 34.714 12.313 ( -13.782 -3.993 -1.048) 14.387 12.643 ( -14.153 16.270 14.261) 25.854 13.373 ( -3.706 -0.598 -0.836) 3.846 14.495 ( 7.760 -18.977 2.571) 20.663 15.136 ( 2.923 9.666 2.794) 10.478 15.751 ( 6.609 6.866 -8.577) 12.821 16.842 ( -15.401 0.807 24.016) 28.541 17.195 ( -3.746 -10.854 -9.307) 14.781 17.402 ( -4.701 3.306 -34.355) 34.832 17.727 ( 13.244 -2.109 30.623) 33.431 17.901 ( -4.742 6.329 13.509) 15.654 18.529 ( -1.526 -2.646 14.063) 14.391 18.838 ( 20.204 -3.095 -5.110) 21.069 19.303 ( -17.452 -0.436 -0.795) 17.476 19.414 ( -2.962 7.209 -0.159) 7.795 19.680 ( -8.350 -11.633 28.348) 31.760 20.409 ( 7.647 -4.136 -8.016) 11.826 20.635 ( 3.760 6.949 -2.705) 8.351 21.214 ( 2.474 3.777 -24.073) 24.493 21.384 ( 3.050 -1.270 -3.788) 5.027 21.591 ( -7.642 2.112 -25.413) 26.621 22.225 ( -5.621 -1.488 6.126) 8.446 23.160 ( -3.066 -1.526 -0.193) 3.430 23.246 ( 0.142 1.140 4.657) 4.797 23.440 ( -5.942 -1.223 5.213) 7.999 23.527 ( -4.570 -0.023 -8.106) 9.305 23.955 ( -2.174 9.302 -13.062) 16.183 25.547 ( -1.551 -0.544 0.826) 1.839 25.742 ( 2.393 -7.607 2.593) 8.386 26.855 ( 0.061 1.962 14.802) 14.932 27.079 ( 1.202 0.389 -6.105) 6.234 27.522 ( -1.342 0.265 -6.338) 6.484 28.164 ( 2.337 -0.220 5.650) 6.119 29.204 ( 7.121 0.080 0.151) 7.123 29.304 ( -3.658 -0.020 1.023) 3.798 30.341 ( 0.428 -0.706 3.104) 3.212 30.380 ( 0.459 0.648 1.381) 1.593 33.741 ( 5.060 0.047 -0.566) 5.091 34.592 ( -2.107 -0.018 -0.094) 2.109 35.836 ( -1.945 -0.044 0.585) 2.031 44.592 ( -0.194 -0.000 -0.155) 0.249 ======================= Grid point 275 (103/186) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.728 ( 0.000 14.316 -5.077) 15.190 7.539 ( 0.000 -6.492 -9.135) 11.207 7.894 ( 0.000 2.876 -2.164) 3.599 8.467 ( 0.000 -24.761 29.145) 38.243 9.334 ( 0.000 -8.538 -37.979) 38.927 10.079 ( 0.000 2.999 -16.974) 17.237 10.974 ( 0.000 2.464 -29.756) 29.858 11.508 ( 0.000 3.089 45.411) 45.516 12.351 ( 0.000 5.135 -10.786) 11.946 12.548 ( 0.000 19.236 -36.949) 41.656 14.505 ( 0.000 2.750 -18.036) 18.245 15.392 ( 0.000 -9.839 27.594) 29.296 16.011 ( 0.000 -5.990 10.345) 11.954 16.238 ( 0.000 -2.696 59.371) 59.432 16.940 ( 0.000 -1.623 -7.249) 7.428 17.657 ( 0.000 -0.518 -58.179) 58.181 17.957 ( 0.000 -8.966 26.506) 27.981 18.282 ( 0.000 -3.400 18.359) 18.671 18.419 ( 0.000 -12.009 -12.565) 17.381 18.699 ( 0.000 -1.233 9.618) 9.697 19.012 ( 0.000 -9.099 5.306) 10.532 19.437 ( 0.000 2.112 17.463) 17.590 20.574 ( 0.000 24.709 -12.064) 27.497 20.798 ( 0.000 1.107 -3.844) 4.001 21.242 ( 0.000 17.589 -10.700) 20.588 21.553 ( 0.000 1.970 -23.772) 23.854 22.372 ( 0.000 0.322 5.704) 5.713 22.525 ( 0.000 -2.958 0.874) 3.085 22.532 ( 0.000 2.477 8.949) 9.285 22.749 ( 0.000 9.406 -5.818) 11.060 23.615 ( 0.000 -5.499 4.617) 7.180 24.105 ( 0.000 0.142 -3.208) 3.211 24.577 ( 0.000 -16.161 0.392) 16.166 24.912 ( 0.000 -0.921 1.384) 1.663 25.102 ( 0.000 4.302 -3.364) 5.461 25.141 ( 0.000 -0.808 -2.754) 2.870 26.686 ( 0.000 0.622 6.132) 6.164 26.806 ( 0.000 0.845 1.095) 1.383 27.506 ( 0.000 -1.548 12.636) 12.731 27.765 ( 0.000 0.941 -1.948) 2.164 28.692 ( 0.000 -0.367 -0.399) 0.542 30.235 ( 0.000 -1.067 -1.551) 1.882 30.385 ( 0.000 -0.218 7.138) 7.141 31.198 ( 0.000 0.381 -1.539) 1.586 31.205 ( 0.000 -0.361 3.192) 3.212 34.982 ( 0.000 -0.277 0.162) 0.321 36.297 ( 0.000 -0.082 -3.004) 3.006 44.635 ( 0.000 0.094 0.100) 0.137 ======================= Grid point 276 (104/186) ======================= q-point: ( 0.09 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.889 ( 16.184 13.418 -5.000) 21.609 7.648 ( 9.225 -5.833 -6.515) 12.711 7.864 ( -1.079 1.259 0.412) 1.708 8.605 ( 13.103 -20.737 23.094) 33.690 9.344 ( 1.465 -8.648 -40.541) 41.479 10.164 ( 10.804 3.280 1.494) 11.390 10.921 ( -4.689 1.808 -25.601) 26.090 11.491 ( -1.299 3.134 34.359) 34.526 12.597 ( 6.613 17.006 -32.294) 37.092 12.700 ( 30.791 6.221 -21.500) 38.067 14.444 ( -6.273 2.134 -13.791) 15.300 15.353 ( -3.644 -8.677 22.179) 24.093 15.917 ( -9.567 -6.463 8.667) 14.437 16.334 ( 8.380 -3.976 51.086) 51.921 16.989 ( 4.817 -0.543 -5.723) 7.500 17.624 ( -2.691 -1.058 -42.707) 42.804 17.943 ( -0.506 -7.214 17.664) 19.087 18.257 ( -3.079 -3.227 18.932) 19.450 18.383 ( -2.104 -5.478 -5.672) 8.161 18.796 ( 7.489 -10.120 -1.439) 12.672 19.060 ( 5.880 -7.282 9.212) 13.132 19.395 ( -3.900 1.353 16.923) 17.419 20.508 ( -6.747 18.233 -12.991) 23.382 20.774 ( -2.765 0.975 -5.241) 6.006 21.198 ( -2.911 22.222 -11.776) 25.317 21.582 ( 0.642 2.410 -17.534) 17.711 22.135 ( -33.104 3.204 3.361) 33.428 22.333 ( -3.540 0.820 3.247) 4.873 22.616 ( 1.892 1.533 -0.899) 2.596 22.731 ( 0.626 3.342 4.934) 5.992 23.499 ( -7.225 -4.220 3.664) 9.134 23.993 ( -9.408 -1.494 -3.703) 10.220 24.666 ( 3.592 -10.969 4.301) 12.317 24.868 ( -1.411 -4.376 -3.189) 5.596 25.008 ( -7.591 4.205 -2.941) 9.163 25.545 ( 32.257 -0.972 -1.228) 32.295 26.596 ( -9.830 1.121 6.363) 11.763 26.811 ( 2.170 1.097 0.550) 2.493 27.547 ( 3.876 -2.113 9.540) 10.512 27.746 ( -1.790 1.526 -0.933) 2.531 28.710 ( 1.825 -0.453 0.116) 1.884 30.241 ( 0.198 -1.023 -1.269) 1.642 30.387 ( 0.138 -0.207 6.929) 6.933 30.541 ( -30.519 -0.265 2.404) 30.615 31.914 ( 36.311 0.169 -0.364) 36.313 34.953 ( -2.873 -0.284 -0.047) 2.887 36.260 ( -3.768 -0.084 -2.837) 4.717 44.633 ( -0.173 0.090 0.282) 0.343 ======================= Grid point 277 (105/186) ======================= q-point: ( 0.18 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.328 ( 28.018 11.254 -5.165) 30.632 7.759 ( 1.886 -2.770 -1.257) 3.579 7.950 ( 8.959 0.139 -1.230) 9.044 8.941 ( 21.072 -14.110 15.733) 29.844 9.433 ( 8.854 -8.196 -28.809) 31.234 10.549 ( 26.597 -1.261 9.264) 28.192 10.821 ( -3.074 4.732 -20.146) 20.921 11.474 ( 0.029 1.340 26.104) 26.139 12.722 ( 6.352 16.602 -24.941) 30.627 13.471 ( 45.003 4.252 -35.504) 57.479 14.264 ( -11.909 1.421 -4.600) 12.845 15.259 ( -6.425 -7.264 11.560) 15.089 15.656 ( -16.406 -6.124 7.845) 19.189 16.457 ( 1.697 -6.910 14.894) 16.506 17.105 ( 5.679 3.572 -4.809) 8.254 17.640 ( 7.245 -3.175 -1.735) 8.098 17.951 ( 0.949 -4.516 6.171) 7.706 18.168 ( -4.982 -0.288 14.275) 15.122 18.370 ( 0.546 -2.642 4.835) 5.536 18.905 ( 3.610 -20.418 -14.194) 25.128 19.204 ( 0.636 1.892 18.116) 18.225 19.370 ( 9.203 -5.789 9.886) 14.695 20.328 ( -11.114 7.665 -13.003) 18.745 20.652 ( -12.850 0.376 -10.806) 16.793 21.122 ( -8.944 19.827 -4.733) 22.260 21.403 ( -28.394 13.535 3.442) 31.643 21.549 ( -6.550 4.810 -5.409) 9.762 22.318 ( -0.436 -1.222 -2.074) 2.446 22.457 ( -13.000 5.087 7.286) 15.747 22.877 ( 9.986 -2.182 0.702) 10.246 23.396 ( -3.991 -1.393 -0.828) 4.307 23.797 ( -10.049 -2.214 -4.019) 11.047 24.548 ( -13.524 -2.678 1.950) 13.923 24.723 ( -14.672 3.924 2.044) 15.324 25.063 ( 12.102 -10.749 -0.406) 16.191 26.083 ( 10.522 -0.879 3.578) 11.149 26.419 ( 1.528 1.523 -7.552) 7.854 26.901 ( 7.232 1.279 7.557) 10.538 27.618 ( 0.654 -2.205 -1.625) 2.817 27.737 ( 4.129 2.029 6.570) 8.021 28.758 ( 3.130 -0.514 0.520) 3.214 29.989 ( -22.210 -0.434 3.610) 22.506 30.290 ( 1.218 -1.266 0.272) 1.778 30.395 ( 0.476 -0.057 6.057) 6.076 32.582 ( 32.019 0.267 -1.205) 32.043 34.874 ( -5.207 -0.287 -0.729) 5.265 36.159 ( -6.393 -0.098 -2.321) 6.802 44.629 ( -0.297 0.079 0.776) 0.835 ======================= Grid point 278 (106/186) ======================= q-point: ( 0.27 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.930 ( 32.716 8.566 -6.635) 34.464 7.801 ( 3.023 -0.989 -1.804) 3.656 8.117 ( 7.972 1.458 -3.361) 8.773 9.389 ( 23.365 -4.304 6.299) 24.579 9.696 ( 18.093 -9.469 -10.127) 22.794 10.595 ( -10.352 0.122 -20.269) 22.760 11.348 ( 40.995 1.857 11.059) 42.501 11.523 ( 7.999 -2.628 20.091) 21.784 12.823 ( 3.960 14.496 -14.373) 20.794 13.955 ( -14.669 -0.763 1.346) 14.750 14.396 ( 43.012 5.625 -35.189) 55.857 15.030 ( -19.894 -11.246 3.380) 23.101 15.377 ( -8.357 0.246 7.834) 11.457 16.410 ( -3.938 -5.653 -16.586) 17.960 17.153 ( -0.976 4.383 -9.496) 10.504 17.878 ( 8.394 -5.524 5.227) 11.327 17.947 ( 0.233 -3.448 11.894) 12.386 18.116 ( 0.974 -1.237 4.695) 4.952 18.401 ( 3.089 -0.015 21.200) 21.423 18.937 ( -1.463 -18.322 -15.434) 24.001 19.137 ( -1.021 -3.594 14.929) 15.389 19.664 ( 13.372 -6.364 0.222) 14.810 20.098 ( -16.809 2.121 -4.938) 17.648 20.166 ( -24.556 0.922 -2.650) 24.716 20.871 ( -7.668 2.428 10.504) 13.230 21.182 ( -4.660 31.398 -9.379) 33.098 21.450 ( -3.769 6.291 -1.819) 7.556 22.077 ( -19.756 1.808 10.484) 22.438 22.375 ( 0.255 -0.466 -0.772) 0.937 23.058 ( 8.050 -2.530 -4.082) 9.373 23.325 ( -3.474 1.233 -4.372) 5.719 23.620 ( -7.930 -2.152 -3.513) 8.936 24.194 ( -22.074 -0.069 -0.775) 22.088 24.424 ( -15.213 5.306 7.378) 17.721 25.313 ( 12.482 -12.398 2.697) 17.798 25.925 ( -13.356 2.099 2.386) 13.728 26.638 ( 9.284 -0.707 -16.879) 19.277 27.088 ( 10.486 0.832 17.389) 20.323 27.565 ( -4.193 0.752 -4.396) 6.121 27.927 ( 12.965 -0.361 6.395) 14.461 28.840 ( 5.772 -0.180 -0.709) 5.818 29.643 ( -13.343 -0.742 4.915) 14.239 30.327 ( 2.132 -1.407 1.530) 2.978 30.407 ( 0.710 0.096 5.082) 5.132 33.135 ( 24.535 0.315 -1.748) 24.599 34.758 ( -6.480 -0.246 -1.956) 6.774 36.026 ( -6.885 -0.136 -1.483) 7.044 44.623 ( -0.330 0.066 1.429) 1.468 ======================= Grid point 279 (107/186) ======================= q-point: ( 0.36 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.535 ( 27.522 5.331 -9.448) 29.583 7.877 ( 4.901 0.313 -4.173) 6.445 8.259 ( 6.294 2.684 -6.177) 9.218 9.771 ( 15.113 -0.200 -10.512) 18.411 10.111 ( 20.672 -1.319 6.691) 21.768 10.377 ( -8.992 0.157 -17.634) 19.795 11.658 ( 11.997 -7.035 19.775) 24.176 12.174 ( 30.508 -1.861 5.910) 31.131 12.917 ( 8.184 12.051 -2.482) 14.777 13.640 ( -15.286 -0.346 6.619) 16.662 14.537 ( -24.462 -13.854 2.782) 28.250 15.089 ( 18.733 0.567 -13.916) 23.343 15.399 ( 13.497 9.741 -6.252) 17.780 16.407 ( 5.217 -2.406 -29.191) 29.751 17.091 ( -4.387 0.490 -8.169) 9.286 17.600 ( -25.916 -1.407 -18.132) 31.661 18.118 ( 1.722 -5.833 2.883) 6.731 18.142 ( 3.406 -5.173 19.014) 19.998 18.484 ( 5.175 -6.627 11.446) 14.202 18.880 ( -3.103 1.068 13.957) 14.338 19.205 ( 4.733 -13.914 -2.943) 14.989 19.602 ( -9.690 3.818 0.280) 10.419 19.771 ( -8.214 -5.502 -0.279) 9.890 20.124 ( 4.738 -3.492 -2.654) 6.457 20.822 ( 2.086 6.521 6.589) 9.502 21.100 ( -3.835 25.170 -10.989) 27.731 21.399 ( -1.851 2.693 7.927) 8.574 21.721 ( -14.167 2.409 13.724) 19.871 22.350 ( -3.222 -1.505 0.357) 3.574 23.162 ( 1.954 -1.326 -4.262) 4.872 23.275 ( -0.673 1.335 -5.638) 5.833 23.500 ( -4.426 -1.468 -3.812) 6.023 23.744 ( -22.678 0.979 0.022) 22.699 24.154 ( -11.970 8.776 6.738) 16.300 25.514 ( 7.146 -11.287 4.184) 13.999 25.718 ( -6.648 0.625 -0.348) 6.686 26.747 ( 3.130 -0.353 -14.944) 15.272 27.243 ( 5.203 0.411 19.207) 19.904 27.485 ( -3.641 1.579 -4.401) 5.926 28.150 ( 8.390 -1.160 5.215) 9.947 28.997 ( 10.056 0.446 -2.548) 10.383 29.455 ( -6.756 -0.936 5.172) 8.560 30.366 ( 1.756 -1.644 3.214) 4.015 30.422 ( 0.880 0.268 4.177) 4.277 33.522 ( 15.180 0.303 -1.973) 15.311 34.634 ( -5.891 -0.133 -3.531) 6.870 35.907 ( -5.013 -0.196 -0.544) 5.047 44.617 ( -0.258 0.053 2.036) 2.053 ======================= Grid point 280 (108/186) ======================= q-point: ( 0.45 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.854 ( 4.634 0.193 -3.237) 5.656 8.039 ( 9.828 3.867 -16.293) 19.417 8.346 ( 2.353 2.875 -8.205) 9.007 9.979 ( 6.875 -0.020 -11.257) 13.191 10.105 ( -8.056 2.300 -5.658) 10.109 10.558 ( 12.147 9.244 -7.268) 16.906 11.916 ( 11.000 -22.252 18.583) 31.008 12.423 ( 1.712 6.716 7.313) 10.076 13.061 ( 0.314 9.946 10.057) 14.148 13.422 ( -6.218 -0.828 6.098) 8.749 14.272 ( -1.411 -19.698 -0.571) 19.757 15.274 ( 6.432 3.616 2.623) 7.832 15.680 ( 8.829 13.160 -11.660) 19.675 16.493 ( -3.815 -3.073 -42.876) 43.155 17.035 ( 0.780 0.092 -5.764) 5.817 17.158 ( -10.899 0.572 -2.296) 11.153 17.981 ( -8.543 -20.298 5.198) 22.628 18.236 ( 2.855 6.761 17.596) 19.065 18.621 ( 6.939 -11.898 0.638) 13.788 18.790 ( -5.130 1.734 3.914) 6.682 19.228 ( -1.094 1.530 -11.217) 11.373 19.596 ( 3.299 9.559 7.106) 12.359 19.665 ( -2.017 -18.687 -1.478) 18.854 20.145 ( -1.468 -5.993 -10.850) 12.482 20.905 ( 4.915 15.184 2.875) 16.217 21.016 ( -4.925 15.894 -8.788) 18.817 21.399 ( 1.780 -3.076 21.107) 21.404 21.577 ( -1.991 2.609 15.219) 15.569 22.267 ( -3.852 -1.616 1.918) 4.596 23.173 ( 1.416 -0.196 1.002) 1.746 23.290 ( 0.262 -0.609 -2.418) 2.507 23.362 ( -11.116 0.709 -1.816) 11.286 23.464 ( -2.433 1.388 -9.270) 9.684 23.988 ( -4.577 12.048 4.747) 13.734 25.548 ( -1.223 -1.072 0.306) 1.655 25.698 ( 1.844 -10.221 3.585) 10.987 26.783 ( 0.867 -0.065 -13.442) 13.470 27.304 ( 1.421 0.532 19.576) 19.634 27.434 ( -1.465 1.768 -4.741) 5.268 28.245 ( 1.987 -1.412 4.376) 5.009 29.182 ( 7.379 0.651 -3.315) 8.115 29.354 ( -4.114 -0.947 5.216) 6.711 30.389 ( 0.603 -1.692 4.153) 4.525 30.438 ( 0.557 0.224 3.983) 4.028 33.720 ( 5.127 0.245 -1.932) 5.484 34.548 ( -2.527 0.003 -4.763) 5.392 35.840 ( -1.764 -0.247 0.074) 1.783 44.613 ( -0.098 0.045 2.400) 2.402 ======================= Grid point 286 (109/186) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.835 ( 0.000 7.765 -0.138) 7.767 6.977 ( 0.000 -21.027 -41.130) 46.193 7.886 ( 0.000 3.370 -2.166) 4.006 8.477 ( 0.000 -27.522 3.600) 27.757 8.558 ( 0.000 -5.784 -27.480) 28.082 9.512 ( 0.000 -10.759 -40.862) 42.255 10.525 ( 0.000 7.368 -24.480) 25.565 12.146 ( 0.000 -4.580 -7.868) 9.104 12.189 ( 0.000 28.931 -28.100) 40.331 12.557 ( 0.000 9.776 50.139) 51.083 14.330 ( 0.000 10.647 -10.053) 14.643 15.756 ( 0.000 -13.959 25.378) 28.964 15.970 ( 0.000 -9.175 1.705) 9.332 16.571 ( 0.000 -13.710 -5.763) 14.872 16.726 ( 0.000 0.740 -42.180) 42.186 17.354 ( 0.000 -18.257 37.691) 41.879 18.115 ( 0.000 -0.384 10.766) 10.772 18.301 ( 0.000 -13.113 -4.471) 13.854 18.648 ( 0.000 9.650 43.119) 44.186 18.871 ( 0.000 -1.358 13.314) 13.383 19.083 ( 0.000 -3.217 4.749) 5.736 19.797 ( 0.000 10.715 5.038) 11.840 20.658 ( 0.000 16.778 -4.400) 17.346 20.682 ( 0.000 -2.572 0.797) 2.692 21.150 ( 0.000 0.746 -21.768) 21.781 21.297 ( 0.000 26.412 -11.715) 28.894 22.376 ( 0.000 -0.071 -5.637) 5.638 22.476 ( 0.000 0.756 -4.893) 4.951 22.784 ( 0.000 8.662 -1.220) 8.747 22.813 ( 0.000 6.762 10.785) 12.730 23.579 ( 0.000 -8.606 3.449) 9.272 24.037 ( 0.000 0.544 -4.066) 4.103 24.355 ( 0.000 -18.966 -2.978) 19.199 24.962 ( 0.000 0.507 2.026) 2.088 24.997 ( 0.000 -1.090 -11.406) 11.458 25.134 ( 0.000 5.834 2.105) 6.202 26.770 ( 0.000 -1.399 4.514) 4.726 26.852 ( 0.000 -1.709 3.312) 3.727 27.742 ( 0.000 -3.768 16.053) 16.489 27.775 ( 0.000 3.238 0.498) 3.276 28.664 ( 0.000 -0.918 -1.797) 2.018 30.198 ( 0.000 -1.790 -0.877) 1.993 30.498 ( 0.000 -1.599 6.412) 6.608 31.179 ( 0.000 1.182 -1.399) 1.832 31.269 ( 0.000 -0.891 4.631) 4.716 34.976 ( 0.000 -0.658 -0.243) 0.702 36.220 ( 0.000 -0.168 -5.270) 5.273 44.642 ( 0.000 0.251 0.417) 0.487 ======================= Grid point 287 (110/186) ======================= q-point: ( 0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.972 ( 13.930 6.483 -1.104) 15.404 7.202 ( 20.471 -19.331 -32.867) 43.278 7.879 ( 0.105 2.217 -0.273) 2.236 8.425 ( 1.150 -13.759 -21.349) 25.425 8.747 ( 13.819 -17.359 -0.123) 22.188 9.797 ( 27.712 -6.605 -39.134) 48.405 10.511 ( -1.260 8.274 -23.051) 24.523 12.105 ( -2.891 -0.286 3.876) 4.844 12.289 ( 8.722 22.404 -26.272) 35.612 12.640 ( 9.180 7.494 29.141) 31.458 14.302 ( -2.984 10.075 -8.823) 13.721 15.613 ( -12.866 -13.261 15.512) 24.125 15.910 ( -6.408 -8.814 5.996) 12.438 16.482 ( -10.302 -8.073 -14.931) 19.856 16.791 ( 7.936 -4.288 -22.627) 24.359 17.458 ( 8.748 -18.610 24.203) 31.759 18.015 ( -7.739 -5.008 4.638) 10.319 18.372 ( 4.835 -6.534 4.347) 9.218 18.629 ( -2.160 4.136 31.823) 32.163 18.888 ( 0.691 5.729 16.520) 17.499 19.147 ( 7.303 -7.267 6.418) 12.138 19.743 ( -5.027 9.766 7.156) 13.110 20.488 ( -14.065 11.001 -7.294) 19.289 20.660 ( -2.277 -2.223 2.310) 3.932 21.207 ( 2.835 20.310 -18.240) 27.445 21.372 ( 6.465 10.352 -9.192) 15.279 22.160 ( -24.074 3.316 -7.361) 25.391 22.391 ( -7.262 4.558 -2.638) 8.971 22.665 ( 0.078 1.308 4.721) 4.899 22.905 ( 1.644 7.795 7.517) 10.954 23.490 ( -6.938 -7.438 4.482) 11.115 23.893 ( -10.693 -2.323 -4.527) 11.842 24.549 ( 14.245 -15.045 -0.505) 20.725 24.764 ( -9.257 -1.537 -6.014) 11.146 25.073 ( -5.673 5.842 3.996) 9.070 25.427 ( 28.341 -0.438 -9.414) 29.867 26.696 ( -10.728 -3.053 5.097) 12.263 26.885 ( 6.641 1.879 5.366) 8.742 27.640 ( -5.619 -2.667 4.419) 7.630 27.836 ( 2.509 1.736 7.822) 8.396 28.695 ( 2.674 -1.227 -0.775) 3.043 30.211 ( 1.170 -1.786 -0.394) 2.171 30.493 ( -1.481 -1.704 5.629) 6.065 30.595 ( -27.902 -0.259 4.142) 28.209 31.914 ( 35.181 0.428 0.066) 35.184 34.942 ( -3.478 -0.670 -0.663) 3.603 36.187 ( -3.318 -0.179 -4.947) 5.960 44.644 ( 0.251 0.240 0.704) 0.785 ======================= Grid point 288 (111/186) ======================= q-point: ( 0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.351 ( 24.018 4.545 -3.313) 24.668 7.592 ( 15.159 -12.087 -14.359) 24.126 7.924 ( 5.190 1.940 -1.031) 5.636 8.627 ( 21.001 -14.874 -29.092) 38.841 9.049 ( 17.091 -11.904 5.272) 21.485 10.398 ( 11.674 -0.869 -16.553) 20.274 10.580 ( 28.254 8.542 -23.024) 37.435 12.060 ( -0.760 1.330 19.467) 19.527 12.490 ( 10.974 14.962 -22.434) 29.113 12.952 ( 24.025 2.498 -11.025) 26.551 14.209 ( -6.602 8.436 -5.297) 11.950 15.308 ( -18.235 -12.350 2.894) 22.213 15.737 ( -10.447 -6.693 11.605) 16.988 16.235 ( -13.403 -6.734 -16.481) 22.284 16.971 ( 8.955 -1.496 -12.359) 15.336 17.624 ( 7.373 -18.362 4.869) 20.377 17.854 ( -8.865 -8.193 -1.984) 12.234 18.415 ( -2.047 -2.053 11.742) 12.094 18.609 ( 1.270 0.489 13.359) 13.428 18.847 ( -5.776 3.062 12.430) 14.044 19.343 ( 10.603 -9.808 1.376) 14.509 19.659 ( -1.123 10.304 21.710) 24.057 20.200 ( -14.304 5.738 -9.615) 18.166 20.594 ( -4.719 0.124 11.063) 12.028 21.192 ( -7.196 17.929 -12.028) 22.757 21.449 ( -1.272 3.821 -2.338) 4.656 21.654 ( -18.523 17.453 -5.271) 25.991 22.300 ( -2.487 0.571 0.721) 2.652 22.678 ( -1.206 5.290 3.737) 6.588 22.896 ( -1.513 1.043 8.392) 8.591 23.359 ( -6.104 -3.158 0.134) 6.874 23.687 ( -9.900 -2.907 -4.565) 11.283 24.510 ( -14.133 -2.144 -2.768) 14.561 24.828 ( 2.469 -3.712 4.438) 6.290 24.967 ( 3.293 -3.634 2.705) 5.601 25.941 ( 20.889 -1.705 -14.140) 25.283 26.394 ( -17.723 0.878 1.403) 17.800 27.103 ( 14.927 1.366 11.818) 19.088 27.560 ( -2.681 -2.014 -1.450) 3.653 27.887 ( 3.834 1.124 7.192) 8.227 28.750 ( 2.765 -1.415 -0.279) 3.118 30.064 ( -20.093 -1.242 5.497) 20.869 30.282 ( 1.583 -2.055 0.797) 2.714 30.496 ( -0.198 -1.260 5.966) 6.100 32.564 ( 31.232 0.641 -1.303) 31.266 34.845 ( -6.426 -0.648 -1.928) 6.741 36.099 ( -5.522 -0.224 -4.001) 6.823 44.651 ( 0.423 0.209 1.477) 1.551 ======================= Grid point 289 (112/186) ======================= q-point: ( 0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.851 ( 26.199 2.922 -8.866) 27.813 7.773 ( 5.857 -2.486 -2.023) 6.677 8.059 ( 7.502 2.963 -5.116) 9.552 9.126 ( 24.240 -12.082 -28.112) 39.036 9.439 ( 24.945 -9.818 1.410) 26.845 10.388 ( -2.758 9.481 -7.512) 12.406 11.343 ( 36.394 -1.457 -0.008) 36.423 12.134 ( 10.685 5.913 25.251) 28.049 12.679 ( 8.134 5.691 -17.072) 19.748 13.562 ( 34.158 -3.819 -38.313) 51.471 14.078 ( -2.844 7.790 -4.284) 9.334 14.899 ( -23.804 -12.008 -2.015) 26.738 15.552 ( -7.439 -3.903 13.320) 15.747 16.018 ( -7.883 -5.355 -16.411) 18.978 17.096 ( 3.161 6.126 -6.291) 9.333 17.603 ( -15.355 -11.130 -15.661) 24.595 17.769 ( 4.585 -13.718 -5.370) 15.428 18.322 ( -6.960 1.759 4.321) 8.379 18.571 ( -6.686 -10.007 2.217) 12.238 18.748 ( -0.190 -4.938 7.692) 9.143 19.494 ( 2.553 -6.993 -6.247) 9.719 19.689 ( 1.345 10.862 26.955) 29.093 20.006 ( -3.437 0.374 -5.545) 6.535 20.433 ( -14.361 5.456 28.084) 32.011 20.949 ( -9.537 0.241 -0.161) 9.542 21.345 ( -6.468 28.216 -11.534) 31.162 21.544 ( 0.323 6.556 2.987) 7.211 22.256 ( -3.469 -1.554 4.920) 6.217 22.578 ( -7.415 7.901 19.105) 21.963 22.905 ( 2.908 -3.514 -6.980) 8.338 23.259 ( -4.345 2.564 -4.984) 7.092 23.523 ( -6.943 -2.724 -4.052) 8.488 24.189 ( -18.447 -0.815 1.244) 18.507 24.655 ( -12.163 6.474 10.039) 17.048 25.218 ( 14.273 -13.012 2.398) 19.462 25.961 ( -15.511 0.312 0.298) 15.517 26.320 ( 9.043 0.693 -18.201) 20.336 27.372 ( 9.175 -1.317 11.813) 15.015 27.532 ( 0.534 2.014 1.542) 2.592 28.026 ( 10.486 -0.685 5.183) 11.717 28.809 ( 4.014 -0.614 -2.337) 4.685 29.738 ( -12.913 -2.043 7.128) 14.891 30.341 ( 3.640 -2.303 2.310) 4.888 30.494 ( -0.003 -1.097 5.180) 5.295 33.104 ( 24.030 0.712 -2.223) 24.143 34.700 ( -8.175 -0.503 -3.951) 9.093 35.986 ( -5.775 -0.322 -2.595) 6.339 44.660 ( 0.460 0.168 2.496) 2.543 ======================= Grid point 290 (113/186) ======================= q-point: ( 0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.326 ( 21.969 2.317 -15.808) 27.164 7.859 ( 2.760 1.885 -2.113) 3.954 8.187 ( 5.209 4.981 -6.813) 9.917 9.473 ( 13.098 -2.603 -18.391) 22.728 9.950 ( 21.156 -11.494 -12.174) 26.979 10.366 ( 3.237 12.990 3.726) 13.896 11.828 ( 15.775 -6.683 13.645) 21.902 12.468 ( 15.736 7.270 11.305) 20.695 12.854 ( 13.059 -2.345 -9.513) 16.326 13.711 ( -9.444 -1.261 1.122) 9.594 14.354 ( -12.531 -13.014 -8.918) 20.148 14.648 ( 30.688 2.380 -26.237) 40.445 15.490 ( 1.969 -0.722 7.637) 7.920 15.947 ( -0.116 -2.910 -17.381) 17.623 17.043 ( -11.833 5.742 -8.304) 15.554 17.241 ( -13.430 0.549 -15.119) 20.230 17.838 ( -0.321 -10.116 -10.897) 14.872 18.177 ( -4.149 -19.103 -4.859) 20.143 18.555 ( 5.584 -3.192 8.547) 10.697 18.782 ( 2.755 -8.820 0.668) 9.264 19.299 ( -18.873 -1.421 -6.178) 19.909 19.769 ( 0.024 4.317 14.319) 14.956 19.929 ( -13.589 -1.294 0.123) 13.651 20.101 ( -7.489 4.364 17.204) 19.264 20.911 ( 2.267 8.125 0.503) 8.450 21.208 ( -7.050 24.570 -9.510) 27.273 21.614 ( 7.607 0.097 11.740) 13.989 22.156 ( -5.637 -2.202 19.402) 20.324 22.472 ( -3.437 5.293 19.446) 20.445 22.995 ( 6.068 0.025 -12.778) 14.146 23.183 ( -3.320 4.286 -6.341) 8.343 23.412 ( -4.910 -2.058 -3.768) 6.522 23.817 ( -19.076 0.796 7.676) 20.578 24.428 ( -10.358 9.302 11.049) 17.773 25.453 ( 9.314 -12.366 3.607) 15.896 25.704 ( -9.463 0.081 -1.449) 9.574 26.458 ( 4.998 0.225 -16.976) 17.698 27.417 ( -1.375 1.293 -1.849) 2.642 27.594 ( 3.633 0.058 16.270) 16.671 28.218 ( 7.029 -2.047 4.491) 8.588 28.937 ( 9.242 1.001 -5.062) 10.585 29.551 ( -6.931 -2.569 7.426) 10.478 30.410 ( 3.130 -2.696 4.255) 5.930 30.498 ( 0.433 -0.944 4.504) 4.622 33.485 ( 14.987 0.670 -2.720) 15.246 34.543 ( -7.530 -0.221 -6.270) 9.801 35.887 ( -4.087 -0.448 -1.183) 4.279 44.668 ( 0.350 0.131 3.438) 3.458 ======================= Grid point 291 (114/186) ======================= q-point: ( 0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.678 ( 13.853 2.812 -16.421) 21.667 7.854 ( -4.130 3.814 -10.204) 11.651 8.252 ( 1.574 5.331 -7.698) 9.495 9.659 ( 5.568 -0.889 -16.453) 17.392 10.100 ( -0.301 0.372 -1.407) 1.486 10.566 ( 10.134 9.185 -5.850) 14.875 12.065 ( 8.095 -10.530 19.146) 23.302 12.591 ( 1.117 6.507 -1.228) 6.715 13.067 ( 2.672 -10.798 -9.705) 14.762 13.555 ( -4.353 -0.847 10.433) 11.337 14.126 ( -3.211 -13.287 7.108) 15.407 15.218 ( 21.564 -0.923 -15.371) 26.498 15.579 ( 2.214 2.841 -15.685) 16.093 15.843 ( -13.925 4.466 -16.622) 22.139 16.966 ( 11.669 -4.029 -8.868) 15.200 17.152 ( 1.256 14.279 2.002) 14.473 17.662 ( -15.532 -19.713 -10.345) 27.145 18.291 ( 15.560 -16.631 -6.465) 23.675 18.650 ( -4.973 -4.625 8.037) 10.522 18.791 ( -10.936 0.914 -2.108) 11.174 18.949 ( 0.032 -6.235 -10.394) 12.121 19.404 ( -19.475 -13.670 -5.216) 24.358 19.865 ( 0.035 8.956 7.864) 11.918 20.093 ( 0.914 6.716 4.453) 8.110 20.976 ( 4.493 15.093 -7.461) 17.425 21.082 ( -6.021 18.927 -7.451) 21.213 21.825 ( 12.440 -3.870 19.835) 23.731 22.038 ( -7.839 -5.361 22.756) 24.659 22.430 ( -0.906 5.137 24.004) 24.564 23.136 ( 6.510 1.897 -10.414) 12.427 23.146 ( 1.416 3.885 -7.489) 8.555 23.311 ( -6.409 -0.861 -3.966) 7.586 23.502 ( -10.811 2.458 12.290) 16.552 24.283 ( -4.021 11.877 11.115) 16.757 25.533 ( -0.799 -1.853 -0.225) 2.030 25.632 ( 1.247 -11.099 2.146) 11.373 26.521 ( 1.568 0.372 -15.730) 15.813 27.389 ( -0.920 3.276 -3.119) 4.616 27.640 ( 1.142 -1.526 18.076) 18.176 28.288 ( 1.206 -2.518 3.117) 4.185 29.109 ( 6.201 1.787 -6.120) 8.894 29.453 ( -3.109 -2.781 7.767) 8.816 30.450 ( 0.923 -2.710 5.186) 5.923 30.511 ( 0.687 -1.191 4.600) 4.801 33.681 ( 5.132 0.558 -2.818) 5.881 34.432 ( -3.256 0.066 -7.957) 8.597 35.833 ( -1.417 -0.536 -0.332) 1.551 44.673 ( 0.130 0.108 4.000) 4.004 ======================= Grid point 297 (115/186) ======================= q-point: ( 0.00 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 312 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.643 ( 0.000 -28.387 -15.810) 32.492 5.709 ( 0.000 -39.715 -56.754) 69.270 7.842 ( 0.000 -13.603 -55.028) 56.685 7.908 ( 0.000 3.774 0.185) 3.779 8.263 ( 0.000 4.859 -9.347) 10.534 8.821 ( 0.000 -33.098 6.659) 33.762 10.304 ( 0.000 19.225 -15.359) 24.607 12.022 ( 0.000 -3.965 -1.461) 4.226 12.103 ( 0.000 36.269 -20.729) 41.775 13.437 ( 0.000 12.863 29.636) 32.307 14.322 ( 0.000 12.031 -7.195) 14.019 15.761 ( 0.000 -10.618 -6.286) 12.339 15.847 ( 0.000 -12.519 -2.099) 12.694 16.353 ( 0.000 -14.068 1.044) 14.107 16.452 ( 0.000 -9.234 14.984) 17.601 17.507 ( 0.000 -11.919 10.790) 16.078 17.964 ( 0.000 -12.311 -14.776) 19.233 18.455 ( 0.000 0.131 18.615) 18.616 19.005 ( 0.000 -9.261 1.282) 9.350 19.091 ( 0.000 0.865 9.934) 9.972 19.701 ( 0.000 2.065 -16.426) 16.555 19.804 ( 0.000 16.180 55.817) 58.115 20.670 ( 0.000 -3.090 -13.276) 13.631 20.807 ( 0.000 15.677 1.029) 15.711 21.043 ( 0.000 1.118 14.469) 14.512 21.374 ( 0.000 24.797 -12.448) 27.746 22.213 ( 0.000 1.413 -9.519) 9.624 22.383 ( 0.000 7.045 -9.995) 12.229 22.882 ( 0.000 7.948 0.668) 7.976 22.941 ( 0.000 8.306 -5.447) 9.932 23.633 ( 0.000 -6.662 11.273) 13.095 23.986 ( 0.000 1.337 -2.696) 3.010 24.079 ( 0.000 -18.866 -2.898) 19.087 24.748 ( 0.000 -0.131 -14.875) 14.876 24.990 ( 0.000 0.623 1.211) 1.362 25.283 ( 0.000 6.950 5.164) 8.658 26.771 ( 0.000 -9.794 2.092) 10.015 26.909 ( 0.000 0.906 3.820) 3.926 27.845 ( 0.000 4.990 1.804) 5.306 27.953 ( 0.000 -6.528 13.309) 14.824 28.611 ( 0.000 -1.523 -2.451) 2.885 30.163 ( 0.000 -2.482 -0.340) 2.505 30.568 ( 0.000 -3.136 4.275) 5.302 31.181 ( 0.000 2.292 -0.531) 2.353 31.342 ( 0.000 -1.420 4.715) 4.925 34.957 ( 0.000 -1.165 -0.736) 1.378 36.118 ( 0.000 -0.195 -5.578) 5.581 44.654 ( 0.000 0.412 0.517) 0.661 ======================= Grid point 298 (116/186) ======================= q-point: ( 0.09 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.763 ( 17.777 -28.407 -17.108) 37.625 6.154 ( 34.790 -36.215 -39.870) 64.120 7.821 ( 2.753 -6.455 -20.904) 22.050 8.034 ( 7.064 5.616 -13.912) 16.583 8.493 ( 23.553 0.917 -21.191) 31.696 9.007 ( 20.681 -31.703 -4.717) 38.145 10.335 ( 3.269 20.021 -12.769) 23.970 11.985 ( -2.151 -2.277 -4.509) 5.491 12.200 ( 8.032 30.026 -17.741) 35.789 13.375 ( -5.876 12.504 26.484) 29.871 14.311 ( -1.360 12.012 -6.078) 13.530 15.553 ( -17.201 -11.109 -0.940) 20.498 15.806 ( -4.881 -13.546 -3.356) 14.785 16.313 ( -6.715 -6.503 0.843) 9.385 16.543 ( 9.385 -14.991 10.470) 20.553 17.517 ( 1.073 -10.246 8.478) 13.342 17.885 ( -7.972 -8.006 -11.965) 16.457 18.516 ( 4.995 -3.368 14.423) 15.631 18.932 ( -7.579 -1.384 3.285) 8.375 19.092 ( 0.964 -7.152 6.439) 9.671 19.368 ( -19.476 3.509 0.372) 19.793 20.066 ( 10.127 12.265 26.593) 30.987 20.459 ( -11.903 4.015 -1.470) 12.648 20.905 ( 1.902 3.223 15.137) 15.592 21.095 ( 5.064 8.674 -8.239) 12.991 21.425 ( 5.236 17.352 -5.023) 18.808 22.024 ( -16.198 10.080 -11.032) 22.038 22.375 ( -1.300 5.254 -4.470) 7.019 22.740 ( -5.807 4.535 -0.479) 7.384 23.089 ( 6.527 9.623 0.394) 11.634 23.535 ( -8.902 -7.770 8.631) 14.633 23.788 ( -10.796 -3.427 -3.148) 11.756 24.363 ( 18.360 -12.818 -1.335) 22.431 24.619 ( -8.535 -1.569 -7.694) 11.598 25.213 ( 2.637 3.611 -0.359) 4.486 25.283 ( 13.328 4.414 -3.107) 14.380 26.696 ( -8.717 -8.131 2.126) 12.109 27.013 ( 11.029 1.552 5.988) 12.645 27.691 ( -11.065 -0.479 3.617) 11.651 27.986 ( 1.051 -0.700 7.274) 7.383 28.658 ( 3.704 -2.362 -0.982) 4.501 30.185 ( 2.127 -2.563 0.077) 3.331 30.540 ( -6.699 -3.272 2.990) 8.033 30.680 ( -21.442 -0.093 5.083) 22.036 31.926 ( 33.761 0.721 0.612) 33.774 34.915 ( -4.319 -1.165 -1.199) 4.631 36.091 ( -2.677 -0.228 -5.190) 5.845 44.662 ( 0.758 0.391 0.800) 1.170 ======================= Grid point 299 (117/186) ======================= q-point: ( 0.18 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.214 ( 24.968 -19.725 -5.092) 32.224 6.888 ( 38.490 -33.468 -30.786) 59.576 7.918 ( 5.462 -1.021 -4.047) 6.874 8.223 ( 13.973 7.135 -11.804) 19.634 8.969 ( 20.953 -2.236 -6.472) 22.043 9.781 ( 59.118 -25.367 -34.399) 72.950 10.441 ( 8.751 22.905 -7.060) 25.516 11.964 ( 0.446 -8.463 -5.930) 10.344 12.380 ( 10.059 24.236 -16.324) 30.904 13.243 ( -6.729 11.375 15.578) 20.429 14.262 ( -3.787 11.369 -2.666) 12.276 15.186 ( -19.601 -10.789 3.016) 22.577 15.675 ( -7.930 -14.298 -3.655) 16.753 16.131 ( -10.868 -3.300 6.863) 13.270 16.737 ( 9.766 -14.603 -0.393) 17.572 17.538 ( -1.082 -4.249 0.342) 4.398 17.674 ( -11.738 -5.973 -9.673) 16.341 18.547 ( -5.954 -7.738 3.129) 10.252 18.719 ( -12.228 5.325 0.224) 13.339 19.009 ( -12.985 -0.818 8.522) 15.554 19.193 ( 7.089 -11.590 -0.778) 13.608 20.042 ( -9.849 2.747 -6.746) 12.250 20.298 ( -7.655 7.861 18.546) 21.549 20.982 ( 7.691 -1.269 24.290) 25.510 21.134 ( -1.783 15.343 -8.030) 17.409 21.531 ( 1.919 4.322 8.084) 9.365 21.729 ( -10.446 25.247 -10.112) 29.134 22.341 ( -1.570 4.000 0.444) 4.320 22.671 ( -1.697 0.491 -3.132) 3.595 23.160 ( 0.120 8.737 8.116) 11.926 23.339 ( -9.815 -5.957 2.457) 11.741 23.588 ( -9.608 -1.802 -2.902) 10.197 24.439 ( -9.541 -2.695 -1.033) 9.968 24.729 ( 17.714 -11.917 -0.944) 21.370 25.107 ( -7.392 5.452 6.547) 11.280 25.661 ( 18.212 1.311 -15.528) 23.969 26.419 ( -18.981 -2.124 1.470) 19.156 27.313 ( 17.221 0.610 9.935) 19.891 27.529 ( -3.271 -1.493 0.152) 3.599 28.001 ( 1.411 0.453 4.473) 4.712 28.717 ( 1.983 -2.752 -0.741) 3.472 30.143 ( -17.262 -2.331 5.320) 18.213 30.270 ( 1.296 -2.995 0.917) 3.390 30.574 ( -0.921 -2.178 4.790) 5.341 32.554 ( 30.215 1.075 -0.878) 30.247 34.794 ( -7.988 -1.058 -2.557) 8.454 36.021 ( -4.363 -0.339 -4.107) 6.002 44.682 ( 1.280 0.335 1.560) 2.046 ======================= Grid point 300 (118/186) ======================= q-point: ( 0.27 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.663 ( 21.424 -11.813 -7.554) 25.605 7.552 ( 26.234 -14.800 -14.567) 33.458 8.011 ( 4.362 2.829 -4.594) 6.938 8.602 ( 25.547 -2.891 -15.107) 29.819 9.320 ( 16.388 -3.509 -4.635) 17.389 10.491 ( 8.187 9.346 1.225) 12.485 11.218 ( 66.179 -1.213 -20.405) 69.264 12.021 ( 5.589 -17.480 -12.033) 21.945 12.604 ( 15.168 16.491 -9.582) 24.369 13.157 ( -0.338 6.967 -8.026) 10.633 14.174 ( -4.423 10.042 2.229) 11.197 14.815 ( -18.190 -8.679 8.926) 22.043 15.531 ( -5.932 -13.994 -3.692) 15.641 15.934 ( -8.502 -0.376 8.378) 11.942 16.912 ( 8.035 -12.121 -8.214) 16.702 17.240 ( -24.873 0.037 -20.578) 32.282 17.640 ( 2.903 -3.507 -1.043) 4.671 18.230 ( -19.566 -2.556 -8.457) 21.468 18.598 ( -2.712 -4.983 8.760) 10.436 18.837 ( -5.705 -5.622 9.797) 12.655 19.318 ( 1.371 -3.530 -4.010) 5.515 19.879 ( -3.035 -0.247 -5.857) 6.601 20.097 ( -12.339 -3.463 5.883) 14.101 20.960 ( -13.456 11.930 8.623) 19.943 21.166 ( 1.759 6.876 28.885) 29.744 21.391 ( -8.744 18.023 -10.564) 22.647 21.696 ( 2.309 10.592 3.390) 11.359 22.331 ( 0.445 1.407 3.394) 3.701 22.666 ( 0.879 -2.314 -7.575) 7.969 23.048 ( -8.445 -0.488 11.493) 14.271 23.250 ( -0.293 7.268 3.743) 8.180 23.434 ( -6.123 -0.354 -2.953) 6.808 24.244 ( -10.494 -1.169 6.631) 12.469 24.875 ( -7.057 3.505 5.763) 9.762 25.118 ( 13.021 -9.518 2.635) 16.342 25.902 ( -0.224 -0.725 -9.174) 9.205 26.075 ( -7.491 3.221 -8.563) 11.824 27.419 ( -0.887 -1.150 -0.268) 1.476 27.715 ( 12.742 1.112 12.234) 17.699 28.091 ( 9.165 -0.800 3.000) 9.677 28.744 ( 1.699 -1.494 -3.610) 4.261 29.835 ( -12.765 -3.605 6.881) 14.942 30.351 ( 5.050 -3.524 2.245) 6.555 30.560 ( -0.523 -2.060 4.115) 4.632 33.077 ( 23.300 1.157 -1.906) 23.407 34.615 ( -10.144 -0.741 -4.609) 11.167 35.933 ( -4.436 -0.523 -2.627) 5.182 44.709 ( 1.396 0.263 2.558) 2.926 ======================= Grid point 301 (119/186) ======================= q-point: ( 0.36 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.064 ( 20.116 -3.003 -13.020) 24.149 7.816 ( 2.072 1.980 -4.914) 5.688 8.104 ( 5.155 4.798 -9.517) 11.839 9.142 ( 25.239 -5.681 -11.953) 28.498 9.647 ( 18.643 -6.974 -8.076) 21.481 10.572 ( 0.852 9.811 2.577) 10.179 12.053 ( 15.255 -3.277 -2.756) 15.845 12.169 ( 11.982 -12.994 -12.769) 21.805 12.873 ( 1.515 10.674 -3.467) 11.325 13.481 ( 33.061 -7.314 -16.742) 37.774 14.173 ( 7.953 8.070 0.246) 11.333 14.535 ( -6.438 -4.424 11.212) 13.665 15.471 ( -0.597 -13.126 -2.152) 13.315 15.825 ( -2.245 1.939 2.585) 3.935 16.721 ( -23.254 1.719 -22.300) 32.264 17.042 ( 4.643 -10.602 -11.842) 16.559 17.705 ( 3.815 -8.594 -10.681) 14.230 17.916 ( -12.461 6.421 3.107) 14.358 18.588 ( 1.585 -8.983 4.638) 10.233 18.752 ( -3.788 -11.878 6.388) 14.008 19.198 ( -11.393 2.929 -3.698) 12.331 19.742 ( -23.363 -7.480 -4.414) 24.925 19.990 ( 7.159 1.124 0.695) 7.280 20.537 ( -24.475 4.337 20.071) 31.948 21.052 ( -6.937 20.217 -5.223) 22.003 21.315 ( -4.616 18.279 -4.198) 19.315 21.802 ( 8.888 -2.315 11.201) 14.485 22.336 ( -0.604 -1.097 8.445) 8.537 22.680 ( 0.062 -2.396 -10.660) 10.926 22.957 ( -0.709 1.640 3.356) 3.802 23.260 ( -0.988 5.825 6.676) 8.915 23.365 ( 1.299 3.050 9.041) 9.629 24.033 ( -11.216 1.168 14.652) 18.489 24.712 ( -7.760 9.068 8.213) 14.488 25.361 ( 10.348 -11.973 1.786) 15.926 25.676 ( -11.649 0.542 -1.793) 11.799 26.166 ( 6.257 1.751 -16.674) 17.896 27.403 ( -0.706 2.481 -1.694) 3.086 27.857 ( 3.912 -1.551 13.660) 14.294 28.272 ( 5.516 -2.582 4.840) 7.779 28.841 ( 8.929 1.422 -7.316) 11.630 29.645 ( -7.150 -4.450 7.147) 11.046 30.446 ( 4.387 -4.206 3.888) 7.215 30.555 ( 0.050 -1.954 3.596) 4.092 33.446 ( 14.593 1.088 -2.536) 14.852 34.420 ( -9.285 -0.265 -6.820) 11.524 35.858 ( -3.072 -0.711 -1.274) 3.401 44.733 ( 1.067 0.196 3.476) 3.641 ======================= Grid point 302 (120/186) ======================= q-point: ( 0.45 -0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 552 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.430 ( 16.670 6.190 -15.794) 23.783 7.723 ( -9.840 3.434 -8.811) 13.648 8.177 ( 1.935 5.363 -7.902) 9.744 9.451 ( 7.039 3.600 -8.626) 11.702 10.012 ( 14.364 -15.228 1.716) 21.004 10.539 ( -3.134 10.121 -9.212) 14.040 12.127 ( 0.119 -23.866 -23.312) 33.363 12.455 ( 13.478 2.914 2.383) 13.993 12.754 ( -10.190 3.032 -5.060) 11.774 13.778 ( 2.324 3.457 11.287) 12.031 14.277 ( 0.957 -4.218 20.361) 20.815 14.806 ( 20.460 0.043 -20.119) 28.694 15.375 ( -11.113 -4.888 -4.513) 12.952 15.846 ( 1.461 4.476 0.268) 4.716 16.661 ( 20.491 -9.594 -14.136) 26.679 17.045 ( -7.108 -16.384 -13.647) 22.477 17.697 ( -5.223 13.736 6.365) 16.015 17.865 ( 9.063 -6.173 -14.777) 18.401 18.585 ( -14.050 -9.450 0.275) 16.935 18.660 ( 0.282 -13.783 -3.301) 14.176 18.889 ( -15.667 -1.621 1.426) 15.816 19.270 ( -12.739 -4.230 1.444) 13.500 20.074 ( -0.338 2.426 7.187) 7.593 20.288 ( -1.475 8.960 5.523) 10.629 20.962 ( -2.371 16.847 -12.771) 21.273 21.210 ( -4.130 18.856 -2.809) 19.507 21.977 ( 6.826 -8.195 7.015) 12.766 22.301 ( -2.311 -1.047 16.364) 16.560 22.673 ( -0.433 -0.388 -9.227) 9.245 22.978 ( 1.614 3.954 -6.529) 7.802 23.195 ( -3.213 -2.310 -3.358) 5.190 23.489 ( 8.025 6.879 31.046) 32.796 23.822 ( -9.317 3.925 18.409) 21.002 24.605 ( -2.958 12.535 8.766) 15.579 25.493 ( 2.198 -7.054 0.621) 7.414 25.533 ( -2.317 -5.415 -1.549) 6.090 26.249 ( 2.184 1.430 -15.580) 15.797 27.392 ( -0.338 4.790 -1.695) 5.092 27.908 ( 1.420 -3.011 14.894) 15.262 28.304 ( -0.265 -3.422 2.483) 4.237 29.014 ( 6.069 2.915 -7.346) 9.965 29.549 ( -2.741 -4.806 7.316) 9.173 30.502 ( 1.174 -3.965 4.553) 6.150 30.566 ( 0.823 -2.716 3.786) 4.732 33.638 ( 5.051 0.947 -2.753) 5.830 34.283 ( -4.012 0.161 -8.375) 9.288 35.818 ( -1.056 -0.824 -0.510) 1.433 44.748 ( 0.398 0.156 4.022) 4.044 ======================= Grid point 308 (121/186) ======================= q-point: ( 0.00 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.256 ( 0.000 -54.644 -43.342) 69.745 4.637 ( 0.000 -58.249 -35.594) 68.264 6.509 ( 0.000 -64.842 -37.480) 74.895 7.956 ( 0.000 1.584 1.031) 1.890 8.254 ( 0.000 12.305 -3.296) 12.739 8.833 ( 0.000 -4.526 8.527) 9.654 10.482 ( 0.000 32.051 2.337) 32.136 11.977 ( 0.000 4.731 -3.645) 5.972 12.264 ( 0.000 40.178 -9.578) 41.304 13.840 ( 0.000 15.055 0.851) 15.079 14.312 ( 0.000 8.454 -6.340) 10.567 15.667 ( 0.000 -11.574 9.534) 14.995 15.669 ( 0.000 -12.682 -0.875) 12.712 16.259 ( 0.000 -13.144 3.551) 13.616 16.634 ( 0.000 -19.756 17.369) 26.305 17.520 ( 0.000 -15.178 4.846) 15.933 17.590 ( 0.000 -5.867 -13.133) 14.384 18.716 ( 0.000 2.060 9.672) 9.889 18.969 ( 0.000 -4.071 5.288) 6.674 19.155 ( 0.000 7.664 -8.459) 11.415 19.551 ( 0.000 -3.204 3.979) 5.108 20.361 ( 0.000 -8.093 -11.843) 14.344 20.739 ( 0.000 9.213 24.153) 25.850 21.097 ( 0.000 16.306 14.234) 21.645 21.139 ( 0.000 -10.240 -2.096) 10.452 21.413 ( 0.000 13.406 -5.857) 14.630 22.291 ( 0.000 12.036 11.597) 16.714 22.299 ( 0.000 13.733 -11.187) 17.713 22.873 ( 0.000 10.541 -12.622) 16.445 22.954 ( 0.000 12.839 -4.902) 13.743 23.739 ( 0.000 -6.065 6.879) 9.171 23.891 ( 0.000 -16.060 4.218) 16.605 23.970 ( 0.000 1.751 -1.205) 2.126 24.501 ( 0.000 1.375 -12.483) 12.559 25.026 ( 0.000 0.647 1.713) 1.831 25.443 ( 0.000 7.727 3.211) 8.368 26.652 ( 0.000 -14.841 0.487) 14.849 26.977 ( 0.000 0.886 2.213) 2.384 27.937 ( 0.000 5.566 1.507) 5.766 28.049 ( 0.000 -8.938 6.985) 11.343 28.552 ( 0.000 -2.002 -1.794) 2.688 30.129 ( 0.000 -2.857 -0.128) 2.860 30.580 ( 0.000 -4.191 1.821) 4.570 31.210 ( 0.000 3.143 0.236) 3.152 31.395 ( 0.000 -1.729 3.000) 3.462 34.925 ( 0.000 -1.700 -0.975) 1.960 36.032 ( 0.000 -0.162 -3.577) 3.580 44.668 ( 0.000 0.512 0.358) 0.625 ======================= Grid point 309 (122/186) ======================= q-point: ( 0.09 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.793 ( 45.168 -52.457 -25.141) 73.648 5.106 ( 44.300 -51.129 -29.822) 73.933 6.739 ( 27.528 -53.035 -42.647) 73.411 7.997 ( 3.682 0.982 -1.386) 4.055 8.404 ( 14.313 15.541 -1.143) 21.159 8.895 ( 6.623 -7.491 5.211) 11.275 10.551 ( 6.661 29.061 3.659) 30.038 11.955 ( -1.458 8.122 -2.051) 8.503 12.317 ( 4.842 36.019 -10.186) 37.743 13.730 ( -10.782 13.730 -0.460) 17.464 14.319 ( 0.469 8.662 -5.854) 10.465 15.510 ( -13.357 -13.022 7.678) 20.173 15.642 ( -4.041 -11.691 3.957) 12.988 16.215 ( -2.929 -11.915 2.040) 12.438 16.642 ( -0.153 -19.737 13.497) 23.911 17.514 ( -0.388 -13.507 3.496) 13.958 17.598 ( -2.215 -2.239 -10.304) 10.775 18.636 ( -10.435 -2.504 1.058) 10.783 18.882 ( -4.535 -5.958 0.127) 7.489 19.111 ( -3.681 7.709 -1.515) 8.676 19.444 ( -9.079 -1.929 11.702) 14.936 20.155 ( -15.117 -3.472 -9.995) 18.452 20.690 ( -13.826 -1.638 -1.185) 13.973 21.131 ( 7.682 3.047 7.726) 11.313 21.231 ( 9.245 10.582 16.341) 21.552 21.524 ( 8.524 12.516 -3.678) 15.583 22.169 ( -6.229 17.974 5.959) 19.934 22.385 ( 2.750 7.072 1.753) 7.788 22.764 ( -5.965 9.828 -4.733) 12.433 23.108 ( 9.276 10.551 -11.590) 18.213 23.549 ( -13.769 -7.989 5.072) 16.707 23.732 ( -8.961 -3.449 -0.421) 9.611 24.253 ( 16.834 -8.630 1.944) 19.017 24.488 ( -1.006 0.248 -5.129) 5.232 25.143 ( 10.501 1.539 -4.235) 11.427 25.409 ( -2.945 7.523 3.008) 8.621 26.599 ( -5.948 -12.624 0.315) 13.958 27.113 ( 13.808 0.962 3.457) 14.266 27.747 ( -14.600 -0.304 2.687) 14.848 28.066 ( 0.013 -1.366 3.254) 3.529 28.609 ( 4.164 -3.584 -0.698) 5.538 30.155 ( 2.624 -3.021 0.088) 4.003 30.535 ( -7.834 -4.079 1.243) 8.919 30.756 ( -19.522 -0.137 3.272) 19.795 31.949 ( 32.713 0.989 0.683) 32.735 34.876 ( -4.964 -1.654 -1.209) 5.371 36.011 ( -2.117 -0.225 -3.313) 3.938 44.679 ( 1.150 0.484 0.530) 1.356 ======================= Grid point 310 (123/186) ======================= q-point: ( 0.18 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.730 ( 42.519 -43.400 -6.759) 61.132 5.968 ( 45.592 -44.614 -20.744) 67.077 7.615 ( 46.054 -16.223 -24.165) 54.480 8.132 ( 14.631 3.558 -9.625) 17.871 8.809 ( 31.490 10.804 -9.392) 34.591 9.119 ( 19.673 -20.294 -2.682) 28.392 10.707 ( 8.265 18.654 4.233) 20.838 11.957 ( 2.524 14.786 3.194) 15.336 12.429 ( 6.520 28.705 -11.179) 31.487 13.454 ( -16.757 11.048 -3.910) 20.448 14.323 ( -0.086 8.895 -4.066) 9.781 15.221 ( -14.526 -13.582 10.251) 22.373 15.533 ( -7.021 -9.609 6.705) 13.659 16.156 ( -3.808 -7.710 4.173) 9.558 16.620 ( -1.671 -17.826 1.727) 17.987 17.400 ( -16.355 2.796 -7.200) 18.087 17.514 ( -2.332 -12.443 -2.400) 12.885 18.303 ( -18.943 -11.204 -11.487) 24.825 18.875 ( -1.521 4.328 6.250) 7.753 19.071 ( 0.984 -1.171 2.849) 3.234 19.270 ( -6.441 -1.093 14.904) 16.273 19.873 ( -12.901 -1.155 -12.532) 18.023 20.325 ( -20.147 -10.097 -6.224) 23.379 21.274 ( 4.596 15.663 1.139) 16.363 21.394 ( 5.897 10.890 12.157) 17.354 21.703 ( 9.150 7.875 1.099) 12.122 22.028 ( -10.409 14.866 14.228) 23.061 22.398 ( -1.058 7.240 -0.707) 7.351 22.665 ( -4.811 2.521 3.194) 6.301 23.178 ( -6.886 -4.056 -10.217) 12.971 23.375 ( 0.604 4.489 3.820) 5.925 23.558 ( -6.906 0.846 -0.923) 7.019 24.427 ( -1.244 -5.668 3.212) 6.632 24.605 ( 14.717 -5.516 -0.069) 15.717 25.258 ( -2.790 4.348 3.635) 6.317 25.458 ( 11.548 4.614 -10.024) 15.973 26.392 ( -15.776 -5.477 0.250) 16.701 27.452 ( 7.132 -0.811 5.165) 8.843 27.532 ( 7.245 0.081 1.342) 7.369 28.057 ( -0.393 0.248 1.613) 1.679 28.664 ( 0.963 -4.269 -0.797) 4.448 30.188 ( -13.110 -3.188 3.023) 13.827 30.245 ( -1.189 -3.635 0.466) 3.853 30.615 ( -1.804 -2.571 2.789) 4.200 32.558 ( 29.351 1.432 -0.291) 29.387 34.738 ( -9.151 -1.397 -1.977) 9.466 35.955 ( -3.405 -0.411 -2.589) 4.298 44.710 ( 1.941 0.411 0.994) 2.219 ======================= Grid point 311 (124/186) ======================= q-point: ( 0.27 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.310 ( 24.921 -30.161 -5.233) 39.473 7.000 ( 52.318 -26.837 -16.448) 61.057 7.957 ( 2.855 1.136 -3.271) 4.488 8.515 ( 17.785 10.169 -3.500) 20.784 9.281 ( 15.048 8.197 -1.768) 17.226 10.153 ( 66.676 -34.098 -24.104) 78.672 10.855 ( 10.135 -0.773 -6.009) 11.808 12.089 ( 13.344 20.004 10.360) 26.183 12.607 ( 13.992 21.076 -9.769) 27.119 13.121 ( -16.035 8.733 -7.865) 19.881 14.318 ( -0.243 9.494 -0.294) 9.501 14.988 ( -9.460 -11.539 15.762) 21.705 15.385 ( -7.257 -6.365 5.967) 11.348 16.039 ( -8.886 -5.397 5.727) 11.870 16.583 ( -3.004 -7.890 -18.721) 20.536 16.996 ( -21.264 -0.321 -0.906) 21.285 17.419 ( -8.032 -13.172 -12.223) 19.682 18.050 ( -5.826 -14.934 -4.120) 16.551 18.767 ( -7.713 2.917 10.195) 13.112 19.006 ( -6.977 5.285 9.805) 13.143 19.262 ( -0.835 -1.130 -0.631) 1.540 19.743 ( 2.895 -2.286 -8.088) 8.889 19.962 ( -17.376 -12.160 -4.005) 21.583 21.292 ( -2.747 20.834 2.686) 21.185 21.415 ( -8.012 12.984 0.052) 15.257 21.645 ( -21.188 6.144 11.479) 24.869 21.888 ( 4.525 5.045 5.874) 8.968 22.381 ( -0.278 6.932 -1.837) 7.177 22.552 ( -5.458 -6.213 0.495) 8.285 23.004 ( -7.311 -6.703 -3.759) 10.607 23.372 ( -3.909 5.678 -2.565) 7.355 23.588 ( 9.600 7.212 11.408) 16.562 24.383 ( -2.807 -3.065 9.906) 10.743 24.828 ( 5.797 -6.289 -4.764) 9.790 25.219 ( 2.052 4.804 8.702) 10.150 25.694 ( 10.573 2.458 -12.655) 16.672 26.034 ( -18.594 1.027 -1.299) 18.668 27.400 ( -0.817 -0.927 -0.348) 1.284 27.925 ( 13.583 0.741 9.813) 16.773 28.111 ( 11.117 -0.373 -0.016) 11.124 28.651 ( -1.445 -3.114 -3.659) 5.017 29.888 ( -12.989 -4.692 3.992) 14.376 30.337 ( 5.752 -4.466 1.199) 7.380 30.592 ( -0.873 -2.563 2.299) 3.552 33.066 ( 22.609 1.494 -0.995) 22.680 34.533 ( -11.545 -0.890 -3.193) 12.012 35.887 ( -3.412 -0.665 -1.649) 3.847 44.750 ( 2.114 0.316 1.600) 2.670 ======================= Grid point 312 (125/186) ======================= q-point: ( 0.36 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.797 ( 25.362 -12.404 -7.483) 29.208 7.726 ( 15.257 -1.955 -6.043) 16.527 7.967 ( 2.704 3.266 -8.394) 9.404 8.952 ( 28.809 -5.568 -2.610) 29.458 9.546 ( 13.663 3.570 -1.734) 14.228 10.624 ( -2.451 -6.811 -0.047) 7.238 11.210 ( 6.792 -26.241 -29.021) 39.711 12.463 ( 8.617 11.174 3.300) 14.491 12.913 ( 6.568 21.336 0.469) 22.329 13.236 ( 49.963 -0.489 -7.508) 50.526 14.334 ( 3.414 9.412 2.998) 10.451 14.831 ( -7.203 -6.325 23.005) 24.922 15.301 ( -0.543 -6.531 -0.295) 6.561 15.806 ( -13.656 -4.590 -8.055) 16.506 16.442 ( -8.778 7.726 -12.726) 17.283 16.763 ( -3.132 -12.626 -0.065) 13.009 17.247 ( -7.760 -16.022 -18.200) 25.459 18.038 ( 2.825 -11.460 0.409) 11.810 18.608 ( -8.543 -7.128 5.835) 12.564 18.866 ( -7.762 9.262 11.742) 16.849 19.163 ( -7.294 3.063 -4.529) 9.116 19.583 ( -22.727 -9.852 -2.264) 24.874 19.955 ( 14.103 1.241 -3.333) 14.544 20.840 ( -35.195 0.088 9.412) 36.432 21.185 ( -9.687 20.173 -2.975) 22.575 21.459 ( -4.634 18.784 -3.336) 19.632 21.951 ( 1.985 -3.117 7.951) 8.768 22.392 ( 1.811 -1.888 -4.377) 5.100 22.522 ( 1.740 -0.858 0.701) 2.063 22.909 ( -2.536 -3.908 -3.182) 5.641 23.259 ( -7.664 4.394 -3.042) 9.343 23.815 ( 12.384 6.218 18.529) 23.137 24.317 ( -4.136 -1.023 15.225) 15.810 24.839 ( -2.057 1.888 -3.065) 4.146 25.338 ( 7.693 -0.078 6.754) 10.237 25.664 ( -12.464 1.670 -0.899) 12.607 25.918 ( 6.194 2.125 -13.505) 15.008 27.412 ( 1.307 2.987 -0.767) 3.350 28.025 ( 3.000 -2.446 7.085) 8.074 28.353 ( 3.390 -2.569 8.062) 9.115 28.708 ( 10.583 1.357 -9.285) 14.144 29.691 ( -7.475 -5.772 4.177) 10.326 30.446 ( 5.037 -5.520 2.052) 7.749 30.580 ( -0.313 -2.437 1.969) 3.149 33.424 ( 14.157 1.404 -1.453) 14.301 34.312 ( -10.479 -0.261 -4.499) 11.407 35.830 ( -2.342 -0.887 -0.837) 2.641 44.788 ( 1.614 0.227 2.154) 2.702 ======================= Grid point 313 (126/186) ======================= q-point: ( 0.45 -0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.272 ( 22.653 2.026 -7.938) 24.089 7.641 ( -14.552 8.092 -6.426) 17.847 8.089 ( 3.938 2.317 -6.388) 7.854 9.399 ( 10.992 1.005 -1.843) 11.191 9.887 ( 19.650 -16.509 5.563) 26.260 10.493 ( -8.583 8.055 -6.301) 13.351 11.128 ( -7.319 -37.699 -33.593) 51.022 12.410 ( -4.438 -4.579 -4.930) 8.061 13.124 ( 8.596 37.414 10.197) 39.720 13.963 ( 12.187 2.353 4.892) 13.341 14.553 ( 15.280 0.612 -0.711) 15.309 14.716 ( -4.558 -1.047 19.059) 19.624 15.288 ( -3.629 0.808 -1.991) 4.217 15.717 ( 6.397 -15.262 -11.829) 20.342 16.436 ( 10.010 -1.513 2.094) 10.338 16.695 ( -7.179 -12.751 -5.978) 15.806 17.215 ( 6.004 -14.682 -24.863) 29.492 18.094 ( 0.417 -3.128 3.015) 4.364 18.457 ( -5.735 -16.339 -0.503) 17.323 18.572 ( -23.852 3.018 4.094) 24.389 18.968 ( -7.591 12.227 5.594) 15.441 19.245 ( -5.750 -3.146 -1.291) 6.680 20.146 ( 1.649 -4.572 2.562) 5.494 20.465 ( -0.497 8.471 3.081) 9.027 20.952 ( -11.343 14.923 -7.400) 20.152 21.395 ( -1.675 21.578 -1.726) 21.711 21.980 ( 0.924 -7.709 3.734) 8.616 22.436 ( 1.809 -4.308 -8.384) 9.598 22.564 ( 1.501 -1.042 11.191) 11.339 22.917 ( 3.376 1.981 -5.042) 6.383 23.092 ( -8.272 0.114 -5.041) 9.688 24.034 ( 9.448 5.024 17.267) 20.314 24.217 ( -6.080 0.538 21.520) 22.369 24.806 ( -0.916 7.669 -1.320) 7.835 25.451 ( 3.140 -1.841 4.922) 6.121 25.488 ( -4.731 0.535 -1.369) 4.954 26.011 ( 2.596 1.397 -12.791) 13.126 27.433 ( 0.594 6.060 -0.661) 6.125 28.091 ( 3.162 -3.800 9.204) 10.447 28.306 ( -3.845 -4.168 2.726) 6.291 28.923 ( 7.181 3.513 -6.440) 10.266 29.592 ( -2.713 -6.268 4.255) 8.046 30.514 ( 1.634 -5.558 2.517) 6.316 30.583 ( 0.478 -3.177 1.908) 3.737 33.610 ( 4.926 1.268 -1.640) 5.344 34.158 ( -4.519 0.247 -5.414) 7.056 35.799 ( -0.803 -1.008 -0.394) 1.347 44.810 ( 0.602 0.174 2.483) 2.561 ======================= Grid point 319 (127/186) ======================= q-point: ( 0.00 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.138 ( 0.000 -65.677 -0.000) 65.677 3.478 ( 0.000 -72.149 -0.000) 72.149 5.226 ( 0.000 -98.037 -0.000) 98.037 7.973 ( 0.000 0.420 0.000) 0.420 8.384 ( 0.000 14.150 0.000) 14.150 8.924 ( 0.000 9.508 0.000) 9.508 10.839 ( 0.000 10.949 0.000) 10.949 12.117 ( 0.000 33.278 0.000) 33.278 12.636 ( 0.000 40.269 0.000) 40.269 13.984 ( 0.000 15.771 0.000) 15.771 14.329 ( 0.000 6.970 0.000) 6.970 15.532 ( 0.000 -11.643 -0.000) 11.643 15.644 ( 0.000 -14.806 -0.000) 14.806 16.150 ( 0.000 -12.566 -0.000) 12.566 16.541 ( 0.000 -23.417 -0.000) 23.417 17.305 ( 0.000 -28.662 -0.000) 28.662 17.432 ( 0.000 -2.046 -0.000) 2.046 18.844 ( 0.000 3.064 0.000) 3.064 19.070 ( 0.000 8.495 0.000) 8.495 19.151 ( 0.000 9.984 0.000) 9.984 19.615 ( 0.000 -1.142 -0.000) 1.142 20.119 ( 0.000 -11.486 -0.000) 11.486 20.939 ( 0.000 -13.182 -0.000) 13.182 20.990 ( 0.000 7.594 0.000) 7.594 21.339 ( 0.000 5.521 0.000) 5.521 21.518 ( 0.000 5.467 0.000) 5.467 22.352 ( 0.000 10.740 0.000) 10.740 22.669 ( 0.000 12.899 0.000) 12.899 22.792 ( 0.000 12.085 0.000) 12.085 23.112 ( 0.000 28.874 0.000) 28.874 23.724 ( 0.000 -7.090 -0.000) 7.090 23.785 ( 0.000 -15.596 -0.000) 15.596 23.979 ( 0.000 1.727 0.000) 1.727 24.399 ( 0.000 2.517 0.000) 2.517 25.051 ( 0.000 0.666 0.000) 0.666 25.561 ( 0.000 8.055 0.000) 8.055 26.470 ( 0.000 -17.877 -0.000) 17.877 27.004 ( 0.000 0.552 0.000) 0.552 28.003 ( 0.000 -9.886 -0.000) 9.886 28.013 ( 0.000 5.354 0.000) 5.354 28.511 ( 0.000 -2.154 -0.000) 2.154 30.096 ( 0.000 -2.783 -0.000) 2.783 30.547 ( 0.000 -4.277 -0.000) 4.277 31.250 ( 0.000 3.201 0.000) 3.201 31.403 ( 0.000 -1.675 -0.000) 1.675 34.893 ( 0.000 -1.992 -0.000) 1.992 35.997 ( 0.000 -0.131 -0.000) 0.131 44.677 ( 0.000 0.512 0.000) 0.512 ======================= Grid point 320 (128/186) ======================= q-point: ( 0.09 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.973 ( 51.039 -61.239 -0.000) 79.719 4.111 ( 72.994 -54.253 -0.000) 90.948 5.519 ( 36.834 -85.188 -0.000) 92.810 7.989 ( 1.695 0.081 0.000) 1.697 8.631 ( 20.388 22.245 0.000) 30.175 8.929 ( 1.091 7.560 0.000) 7.638 10.843 ( 0.045 4.873 0.000) 4.873 12.179 ( 6.729 37.805 0.000) 38.399 12.642 ( 0.294 37.339 0.000) 37.340 13.844 ( -13.359 13.640 0.000) 19.092 14.333 ( 0.119 5.937 0.000) 5.938 15.408 ( -12.435 -13.486 -0.000) 18.344 15.609 ( -2.302 -12.053 -0.000) 12.271 16.112 ( -0.993 -11.926 -0.000) 11.967 16.507 ( -3.705 -21.972 -0.000) 22.282 17.300 ( -0.747 -27.818 -0.000) 27.828 17.517 ( 3.725 0.989 0.000) 3.854 18.611 ( -26.589 2.719 0.000) 26.728 18.824 ( -5.558 -6.857 -0.000) 8.826 19.265 ( 1.892 15.151 0.000) 15.269 19.592 ( -3.364 0.505 0.000) 3.401 19.946 ( -14.833 -7.042 -0.000) 16.420 20.558 ( -22.543 -8.494 -0.000) 24.091 21.243 ( 11.583 3.923 0.000) 12.229 21.467 ( 9.851 8.094 0.000) 12.750 21.623 ( 8.206 3.619 0.000) 8.968 22.339 ( -1.104 8.744 0.000) 8.813 22.669 ( -4.320 11.247 0.000) 12.048 22.788 ( 3.273 9.093 0.000) 9.664 23.106 ( -2.593 22.777 0.000) 22.924 23.554 ( -10.555 -6.304 -0.000) 12.294 23.664 ( -8.110 -3.338 -0.000) 8.770 24.186 ( 12.445 -7.613 -0.000) 14.589 24.464 ( 6.007 2.344 0.000) 6.449 25.122 ( 7.264 1.389 0.000) 7.395 25.522 ( -3.753 7.600 0.000) 8.477 26.440 ( -3.323 -15.760 -0.000) 16.107 27.152 ( 14.948 0.608 0.000) 14.960 27.761 ( -15.781 -2.208 -0.000) 15.935 28.084 ( 0.741 -0.123 -0.000) 0.751 28.559 ( 3.468 -3.947 -0.000) 5.255 30.122 ( 2.620 -2.967 -0.000) 3.958 30.499 ( -7.404 -4.071 -0.000) 8.449 30.784 ( -20.281 -0.165 -0.000) 20.282 31.968 ( 32.628 1.154 0.000) 32.648 34.843 ( -5.027 -1.858 -0.000) 5.359 35.978 ( -1.954 -0.204 -0.000) 1.965 44.690 ( 1.277 0.484 0.000) 1.366 ======================= Grid point 321 (129/186) ======================= q-point: ( 0.18 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.141 ( 54.953 -53.226 -0.000) 76.504 5.205 ( 50.685 -50.407 -0.000) 71.483 6.954 ( 97.270 -39.242 -0.000) 104.888 8.056 ( 7.467 -1.506 -0.000) 7.617 8.901 ( 6.077 9.731 0.000) 11.473 9.103 ( 18.249 17.679 0.000) 25.408 10.820 ( -2.818 -6.371 -0.000) 6.967 12.368 ( 10.655 42.451 0.000) 43.767 12.647 ( 1.861 30.843 0.000) 30.900 13.511 ( -19.686 10.674 0.000) 22.393 14.336 ( 0.506 3.576 0.000) 3.612 15.147 ( -12.029 -11.981 -0.000) 16.977 15.566 ( -2.415 -7.290 -0.000) 7.679 16.149 ( 4.193 -7.640 -0.000) 8.715 16.378 ( -10.473 -16.737 -0.000) 19.744 17.244 ( -6.692 -22.794 -0.000) 23.756 17.437 ( -11.871 2.138 0.000) 12.062 18.044 ( -25.974 -10.557 -0.000) 28.037 18.890 ( 9.177 -7.865 -0.000) 12.087 19.204 ( -8.474 6.627 0.000) 10.757 19.489 ( -5.818 6.191 0.000) 8.496 19.667 ( -11.091 1.786 0.000) 11.234 20.138 ( -19.820 -10.683 -0.000) 22.516 21.416 ( 5.667 8.394 0.000) 10.128 21.638 ( 6.060 15.380 0.000) 16.531 21.764 ( 6.885 -1.178 -0.000) 6.985 22.273 ( -10.221 6.664 0.000) 12.202 22.505 ( -7.912 9.415 0.000) 12.298 22.837 ( -8.797 0.447 0.000) 8.808 22.940 ( -7.830 0.462 0.000) 7.843 23.454 ( -0.298 5.100 0.000) 5.109 23.581 ( 2.361 5.752 0.000) 6.218 24.359 ( 5.295 -9.637 -0.000) 10.996 24.612 ( 8.384 0.928 0.000) 8.435 25.314 ( 11.469 1.542 0.000) 11.572 25.444 ( -2.956 7.833 0.000) 8.373 26.313 ( -10.750 -8.395 -0.000) 13.639 27.473 ( -7.439 -2.013 -0.000) 7.706 27.565 ( 22.293 1.418 0.000) 22.338 28.073 ( -1.241 0.370 0.000) 1.295 28.601 ( 0.396 -5.009 -0.000) 5.024 30.178 ( -8.641 -3.243 -0.000) 9.230 30.208 ( -5.682 -3.599 -0.000) 6.726 30.612 ( -2.483 -2.502 -0.000) 3.525 32.573 ( 29.047 1.537 0.000) 29.087 34.702 ( -9.344 -1.472 -0.000) 9.459 35.926 ( -3.126 -0.408 -0.000) 3.153 44.724 ( 2.155 0.411 0.000) 2.194 ======================= Grid point 322 (130/186) ======================= q-point: ( 0.27 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.838 ( 34.415 -43.740 -0.000) 55.656 6.514 ( 66.366 -28.949 -0.000) 72.405 7.937 ( 6.226 0.885 0.000) 6.289 8.618 ( 22.362 13.168 0.000) 25.951 9.286 ( 26.722 -20.837 -0.000) 33.886 9.632 ( 57.703 4.688 0.000) 57.893 10.738 ( -4.322 -13.491 -0.000) 14.166 12.458 ( 2.054 20.316 0.000) 20.420 12.806 ( 7.709 25.818 0.000) 26.944 13.187 ( -6.126 21.533 0.000) 22.388 14.364 ( 2.519 2.834 0.000) 3.792 14.981 ( -5.164 -9.443 -0.000) 10.763 15.505 ( -3.923 -1.330 -0.000) 4.142 16.051 ( -22.406 -7.593 -0.000) 23.658 16.267 ( 6.487 0.142 0.000) 6.488 17.009 ( -14.851 -16.137 -0.000) 21.931 17.130 ( -17.889 -1.628 -0.000) 17.963 17.756 ( -4.303 -26.133 -0.000) 26.485 18.890 ( -15.502 -4.737 -0.000) 16.209 19.065 ( -1.125 -4.652 -0.000) 4.786 19.407 ( -3.031 21.443 0.000) 21.656 19.611 ( 4.541 -3.193 -0.000) 5.552 19.819 ( -11.041 -7.238 -0.000) 13.202 21.442 ( -4.772 12.060 0.000) 12.970 21.671 ( -2.512 18.492 0.000) 18.662 21.784 ( -32.798 3.464 0.000) 32.981 21.920 ( 5.432 -5.010 -0.000) 7.390 22.479 ( 2.895 6.889 0.000) 7.472 22.488 ( -17.556 -3.610 -0.000) 17.923 22.870 ( -3.856 -8.465 -0.000) 9.302 23.426 ( -3.975 8.448 0.000) 9.336 23.770 ( 14.213 6.453 0.000) 15.609 24.420 ( 1.614 -7.939 -0.000) 8.101 24.740 ( 4.166 -0.549 -0.000) 4.202 25.426 ( 3.023 8.515 0.000) 9.036 25.554 ( 11.066 1.467 0.000) 11.163 26.026 ( -17.238 -0.420 -0.000) 17.243 27.387 ( 0.303 -0.906 -0.000) 0.955 28.043 ( 2.357 -0.482 -0.000) 2.405 28.097 ( 24.730 1.570 0.000) 24.780 28.566 ( -4.027 -4.601 -0.000) 6.115 29.870 ( -13.628 -4.678 -0.000) 14.408 30.296 ( 5.496 -4.540 -0.000) 7.129 30.584 ( -0.949 -2.557 -0.000) 2.727 33.074 ( 22.291 1.542 0.000) 22.344 34.493 ( -11.798 -0.893 -0.000) 11.832 35.864 ( -3.121 -0.667 -0.000) 3.191 44.769 ( 2.345 0.314 0.000) 2.366 ======================= Grid point 323 (131/186) ======================= q-point: ( 0.36 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.522 ( 35.240 -24.155 -0.000) 42.724 7.583 ( 37.537 -9.055 -0.000) 38.613 7.955 ( -1.906 7.037 0.000) 7.291 8.897 ( 18.721 -0.848 -0.000) 18.740 9.574 ( 10.314 -1.624 -0.000) 10.441 10.365 ( -0.962 -22.640 -0.000) 22.660 10.864 ( 10.311 3.447 0.000) 10.872 12.476 ( -9.628 -1.121 -0.000) 9.693 13.087 ( 44.953 -7.299 -0.000) 45.542 13.428 ( 20.646 45.723 0.000) 50.168 14.432 ( 4.481 3.927 0.000) 5.959 14.928 ( -0.877 -12.484 -0.000) 12.515 15.425 ( -4.071 5.957 0.000) 7.215 15.565 ( -23.468 -0.794 -0.000) 23.482 16.414 ( 8.720 5.974 0.000) 10.570 16.753 ( -13.091 -9.805 -0.000) 16.356 16.814 ( -11.553 -13.238 -0.000) 17.570 17.777 ( 4.694 -28.805 -0.000) 29.185 18.548 ( -17.482 -13.096 -0.000) 21.843 18.990 ( -7.204 -2.028 -0.000) 7.484 19.359 ( -2.266 26.965 0.000) 27.060 19.450 ( -17.015 -7.762 -0.000) 18.701 19.955 ( 15.662 4.413 0.000) 16.272 20.894 ( -38.673 -3.000 -0.000) 38.789 21.363 ( -13.348 14.828 0.000) 19.951 21.646 ( -1.817 20.190 0.000) 20.271 21.976 ( -1.525 -6.030 -0.000) 6.220 22.272 ( -3.472 -7.513 -0.000) 8.277 22.574 ( 6.309 3.636 0.000) 7.282 22.806 ( -1.931 -7.299 -0.000) 7.550 23.289 ( -9.906 5.265 0.000) 11.218 24.042 ( 12.690 4.671 0.000) 13.523 24.432 ( -0.380 -6.190 -0.000) 6.202 24.791 ( 1.890 2.746 0.000) 3.334 25.521 ( 5.543 8.695 0.000) 10.312 25.668 ( -8.973 1.253 0.000) 9.060 25.781 ( 2.404 1.519 0.000) 2.843 27.440 ( 3.883 3.041 0.000) 4.932 28.053 ( 1.784 -2.948 -0.000) 3.446 28.448 ( -7.247 -4.225 -0.000) 8.388 28.591 ( 21.584 2.611 0.000) 21.742 29.662 ( -7.910 -5.851 -0.000) 9.839 30.399 ( 4.779 -5.762 -0.000) 7.485 30.570 ( -0.439 -2.373 -0.000) 2.413 33.427 ( 13.922 1.433 0.000) 13.995 34.267 ( -10.671 -0.238 -0.000) 10.673 35.812 ( -2.138 -0.885 -0.000) 2.314 44.810 ( 1.789 0.223 0.000) 1.803 ======================= Grid point 324 (132/186) ======================= q-point: ( 0.45 -0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.145 ( 25.948 -12.680 -0.000) 28.881 7.726 ( -11.920 17.775 0.000) 21.402 8.041 ( 5.541 1.594 0.000) 5.766 9.354 ( 17.824 -7.380 -0.000) 19.292 9.781 ( 12.117 -21.209 -0.000) 24.426 10.256 ( -3.812 -28.811 -0.000) 29.062 10.716 ( -16.530 21.353 0.000) 27.003 12.293 ( -5.679 -7.056 -0.000) 9.058 13.722 ( 10.833 48.025 0.000) 49.232 13.993 ( 24.458 -4.286 -0.000) 24.831 14.544 ( 6.174 0.315 0.000) 6.182 14.905 ( -2.984 -11.889 -0.000) 12.258 15.292 ( -0.643 -12.007 -0.000) 12.024 15.395 ( -0.003 9.051 0.000) 9.051 16.521 ( -6.428 -9.672 -0.000) 11.613 16.626 ( 9.131 8.208 0.000) 12.278 16.695 ( -1.215 -17.633 -0.000) 17.675 17.893 ( 5.623 -27.320 -0.000) 27.892 18.261 ( -10.189 -17.605 -0.000) 20.341 18.647 ( -24.965 3.134 0.000) 25.161 19.173 ( -5.473 -4.430 -0.000) 7.041 19.340 ( -0.666 33.074 0.000) 33.081 20.095 ( -2.974 -7.294 -0.000) 7.877 20.577 ( 7.722 6.689 0.000) 10.216 21.045 ( -16.833 13.500 0.000) 21.578 21.620 ( -0.720 20.779 0.000) 20.791 21.932 ( -1.402 -7.622 -0.000) 7.749 22.271 ( 0.831 -10.225 -0.000) 10.258 22.674 ( 2.141 -2.761 -0.000) 3.493 22.849 ( 7.748 -1.143 -0.000) 7.832 23.065 ( -12.344 2.667 0.000) 12.628 24.235 ( 6.491 4.569 0.000) 7.937 24.406 ( -1.996 -5.882 -0.000) 6.211 24.824 ( 1.281 7.123 0.000) 7.237 25.477 ( -5.731 0.481 0.000) 5.752 25.611 ( 2.434 9.050 0.000) 9.371 25.866 ( 2.727 -0.020 -0.000) 2.727 27.500 ( 1.797 6.985 0.000) 7.212 28.125 ( 5.318 -4.664 -0.000) 7.074 28.292 ( -7.789 -4.867 -0.000) 9.185 28.896 ( 8.564 3.532 0.000) 9.264 29.558 ( -2.857 -6.452 -0.000) 7.056 30.467 ( 1.876 -6.456 -0.000) 6.723 30.567 ( 0.039 -2.562 -0.000) 2.562 33.610 ( 4.838 1.307 0.000) 5.012 34.111 ( -4.588 0.267 0.000) 4.596 35.784 ( -0.732 -1.000 -0.000) 1.239 44.834 ( 0.666 0.168 0.000) 0.687 ======================= Grid point 374 (133/186) ======================= q-point: ( 0.00 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.547 ( 0.000 0.000 -5.323) 5.323 7.626 ( 0.000 0.000 -5.810) 5.810 7.846 ( 0.000 0.000 -3.329) 3.329 8.792 ( 0.000 -0.000 39.279) 39.279 9.438 ( 0.000 0.000 -31.244) 31.244 10.010 ( 0.000 0.000 -21.776) 21.776 10.968 ( 0.000 0.000 -29.382) 29.382 11.492 ( 0.000 -0.000 39.469) 39.469 12.254 ( 0.000 0.000 -6.427) 6.427 12.305 ( 0.000 0.000 -40.584) 40.584 14.478 ( 0.000 0.000 -21.068) 21.068 15.507 ( 0.000 -0.000 27.661) 27.661 16.083 ( 0.000 -0.000 20.691) 20.691 16.267 ( 0.000 -0.000 57.749) 57.749 16.946 ( 0.000 0.000 -8.036) 8.036 17.655 ( 0.000 0.000 -60.091) 60.091 18.127 ( 0.000 -0.000 22.214) 22.214 18.333 ( 0.000 -0.000 25.450) 25.450 18.448 ( 0.000 -0.000 2.451) 2.451 18.708 ( 0.000 -0.000 13.218) 13.218 19.419 ( 0.000 -0.000 6.536) 6.536 19.566 ( 0.000 0.000 -5.660) 5.660 19.828 ( 0.000 0.000 -26.337) 26.337 20.776 ( 0.000 -0.000 0.492) 0.492 21.117 ( 0.000 0.000 -6.152) 6.152 21.530 ( 0.000 0.000 -22.973) 22.973 22.368 ( 0.000 -0.000 5.844) 5.844 22.506 ( 0.000 -0.000 6.012) 6.012 22.587 ( 0.000 -0.000 4.324) 4.324 22.618 ( 0.000 0.000 -8.378) 8.378 23.681 ( 0.000 -0.000 6.390) 6.390 24.103 ( 0.000 0.000 -2.988) 2.988 24.765 ( 0.000 0.000 -1.699) 1.699 24.936 ( 0.000 0.000 -0.609) 0.609 25.038 ( 0.000 0.000 -3.183) 3.183 25.149 ( 0.000 0.000 -2.450) 2.450 26.675 ( 0.000 -0.000 7.897) 7.897 26.795 ( 0.000 -0.000 1.435) 1.435 27.524 ( 0.000 -0.000 13.359) 13.359 27.755 ( 0.000 0.000 -2.874) 2.874 28.696 ( 0.000 0.000 -0.195) 0.195 30.248 ( 0.000 0.000 -1.486) 1.486 30.387 ( 0.000 -0.000 7.874) 7.874 31.194 ( 0.000 0.000 -1.813) 1.813 31.210 ( 0.000 -0.000 3.397) 3.397 34.985 ( 0.000 -0.000 0.294) 0.294 36.298 ( 0.000 0.000 -2.965) 2.965 44.634 ( 0.000 -0.000 0.038) 0.038 ======================= Grid point 375 (134/186) ======================= q-point: ( 0.09 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.719 ( 17.247 0.000 -4.871) 17.922 7.737 ( 10.141 0.000 -3.848) 10.846 7.821 ( -2.044 0.000 -1.499) 2.534 8.882 ( 8.864 -0.000 32.142) 33.342 9.446 ( 0.994 0.000 -36.737) 36.751 10.099 ( 11.974 -0.000 1.254) 12.039 10.925 ( -4.403 0.000 -28.631) 28.967 11.467 ( -1.203 -0.000 32.057) 32.080 12.368 ( 5.946 0.000 -36.103) 36.590 12.610 ( 33.044 0.000 -17.287) 37.293 14.423 ( -5.821 0.000 -16.872) 17.848 15.458 ( -4.563 -0.000 23.269) 23.712 15.995 ( -9.317 -0.000 12.709) 15.758 16.376 ( 9.955 -0.000 55.300) 56.189 16.983 ( 3.487 0.000 -7.989) 8.717 17.631 ( -1.840 0.000 -46.178) 46.214 18.088 ( -2.730 -0.000 20.104) 20.288 18.293 ( -10.157 -0.000 4.643) 11.168 18.350 ( 1.223 -0.000 23.779) 23.811 18.913 ( 15.281 -0.000 10.068) 18.299 19.376 ( -4.132 -0.000 4.917) 6.422 19.580 ( 1.543 0.000 -5.341) 5.559 19.857 ( 2.730 0.000 -27.702) 27.836 20.755 ( -2.390 0.000 -0.969) 2.579 21.012 ( -8.789 0.000 -7.051) 11.268 21.555 ( 0.347 0.000 -16.770) 16.774 22.095 ( -35.788 -0.000 2.319) 35.864 22.331 ( -1.448 -0.000 2.177) 2.614 22.596 ( -6.077 -0.000 0.074) 6.077 22.700 ( 9.388 -0.000 3.885) 10.160 23.552 ( -8.472 -0.000 5.463) 10.081 24.005 ( -8.644 0.000 -3.562) 9.349 24.783 ( -2.789 -0.000 3.146) 4.204 24.916 ( -10.987 0.000 -4.900) 12.030 24.975 ( 7.362 0.000 -3.487) 8.146 25.556 ( 32.660 0.000 -0.794) 32.669 26.579 ( -10.521 -0.000 8.316) 13.411 26.798 ( 2.092 0.000 -0.037) 2.092 27.573 ( 4.739 -0.000 11.892) 12.802 27.727 ( -2.793 0.000 -3.133) 4.197 28.715 ( 1.907 -0.000 0.381) 1.944 30.254 ( 0.064 0.000 -1.173) 1.175 30.389 ( 0.192 -0.000 7.611) 7.614 30.545 ( -30.290 -0.000 2.507) 30.394 31.912 ( 36.232 0.000 -0.458) 36.235 34.957 ( -2.867 -0.000 0.088) 2.869 36.261 ( -3.764 0.000 -2.795) 4.688 44.632 ( -0.169 -0.000 0.224) 0.281 ======================= Grid point 376 (135/186) ======================= q-point: ( 0.18 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.184 ( 29.614 0.000 -4.256) 29.918 7.792 ( -0.437 0.000 -0.658) 0.789 7.944 ( 9.678 0.000 -1.804) 9.845 9.115 ( 14.596 -0.000 17.736) 22.970 9.533 ( 9.535 0.000 -21.655) 23.661 10.541 ( 33.316 -0.000 13.311) 35.877 10.799 ( -8.448 0.000 -26.160) 27.491 11.475 ( 2.527 -0.000 23.104) 23.242 12.503 ( 7.014 0.000 -25.205) 26.163 13.402 ( 46.081 0.000 -33.683) 57.079 14.249 ( -12.104 0.000 -6.824) 13.895 15.355 ( -5.566 -0.000 14.823) 15.833 15.724 ( -18.599 -0.000 7.305) 19.982 16.536 ( 2.953 -0.000 18.192) 18.431 17.062 ( 4.127 0.000 -9.527) 10.382 17.666 ( 8.332 -0.000 4.767) 9.599 18.046 ( -2.009 -0.000 9.738) 9.943 18.135 ( -5.159 -0.000 4.573) 6.895 18.369 ( 0.760 -0.000 21.006) 21.019 19.169 ( 3.600 -0.000 11.314) 11.873 19.313 ( 3.739 0.000 -7.671) 8.533 19.642 ( 6.007 0.000 -0.474) 6.026 19.918 ( 3.103 0.000 -29.917) 30.077 20.642 ( -12.371 0.000 -8.080) 14.776 20.830 ( -9.481 0.000 -4.682) 10.574 21.305 ( -38.882 -0.000 13.236) 41.073 21.500 ( -5.498 0.000 -7.758) 9.508 22.343 ( 2.112 0.000 -2.434) 3.223 22.390 ( -14.616 -0.000 6.102) 15.838 22.902 ( 10.824 -0.000 0.680) 10.846 23.419 ( -5.734 -0.000 0.366) 5.746 23.817 ( -9.962 0.000 -3.754) 10.646 24.621 ( -18.960 0.000 -3.000) 19.195 24.631 ( -11.640 -0.000 5.482) 12.866 25.199 ( 13.697 0.000 -1.962) 13.837 26.088 ( 7.365 -0.000 6.939) 10.119 26.400 ( 4.292 0.000 -9.040) 10.007 26.886 ( 7.170 -0.000 7.237) 10.187 27.652 ( -4.646 0.000 -3.785) 5.992 27.704 ( 9.026 -0.000 9.085) 12.807 28.764 ( 3.081 -0.000 0.826) 3.190 29.995 ( -22.016 -0.000 3.896) 22.358 30.306 ( 1.284 -0.000 0.195) 1.299 30.395 ( 0.386 -0.000 6.913) 6.923 32.579 ( 31.974 0.000 -1.340) 32.002 34.877 ( -5.215 0.000 -0.600) 5.249 36.160 ( -6.378 0.000 -2.271) 6.770 44.628 ( -0.289 -0.000 0.725) 0.781 ======================= Grid point 377 (136/186) ======================= q-point: ( 0.27 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.820 ( 34.559 0.000 -5.053) 34.926 7.812 ( 2.400 0.000 -2.519) 3.479 8.102 ( 7.077 0.000 -3.252) 7.788 9.429 ( 17.267 -0.000 2.366) 17.429 9.811 ( 17.670 0.000 -3.182) 17.955 10.601 ( -11.832 0.000 -21.935) 24.923 11.296 ( 36.258 -0.000 25.048) 44.069 11.630 ( 20.173 -0.000 4.374) 20.642 12.609 ( 3.421 0.000 -11.841) 12.326 13.966 ( -16.475 -0.000 2.747) 16.703 14.317 ( 46.021 0.000 -36.814) 58.934 15.255 ( -4.546 -0.000 9.561) 10.586 15.280 ( -26.412 -0.000 3.097) 26.593 16.479 ( -5.691 0.000 -16.807) 17.744 17.121 ( 1.400 0.000 -11.727) 11.810 17.915 ( 7.225 -0.000 24.331) 25.381 17.980 ( -1.669 -0.000 5.600) 5.844 18.131 ( 5.469 -0.000 2.112) 5.862 18.397 ( 3.335 -0.000 28.863) 29.055 19.058 ( -8.686 -0.000 8.221) 11.959 19.444 ( 3.105 0.000 -20.265) 20.501 19.860 ( 15.398 -0.000 6.514) 16.719 19.935 ( -7.448 0.000 -24.159) 25.281 20.141 ( -27.210 0.000 -6.749) 28.035 20.652 ( -8.583 0.000 -1.158) 8.661 20.879 ( -7.475 -0.000 15.059) 16.812 21.392 ( -4.182 0.000 -1.061) 4.314 22.054 ( -19.172 -0.000 9.639) 21.459 22.381 ( 1.120 0.000 -2.791) 3.007 23.098 ( 8.928 0.000 -3.214) 9.489 23.309 ( -5.698 0.000 -5.069) 7.626 23.639 ( -8.060 0.000 -3.289) 8.705 24.201 ( -23.764 0.000 -0.347) 23.767 24.360 ( -15.662 -0.000 7.442) 17.340 25.466 ( 13.255 -0.000 0.090) 13.255 25.890 ( -14.230 -0.000 4.089) 14.806 26.646 ( 9.174 0.000 -17.385) 19.657 27.079 ( 10.930 -0.000 18.333) 21.344 27.556 ( -5.033 0.000 -4.533) 6.773 27.930 ( 13.626 -0.000 6.439) 15.071 28.842 ( 5.409 0.000 -0.560) 5.438 29.652 ( -13.177 -0.000 5.388) 14.236 30.345 ( 2.353 -0.000 1.395) 2.736 30.403 ( 0.508 -0.000 6.010) 6.031 33.131 ( 24.522 0.000 -1.890) 24.594 34.761 ( -6.526 0.000 -1.860) 6.786 36.027 ( -6.853 0.000 -1.413) 6.997 44.622 ( -0.322 -0.000 1.388) 1.425 ======================= Grid point 378 (137/186) ======================= q-point: ( 0.36 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.465 ( 29.981 0.000 -7.870) 30.996 7.874 ( 3.876 0.000 -5.439) 6.679 8.230 ( 5.922 0.000 -6.360) 8.691 9.748 ( 13.969 0.000 -10.434) 17.436 10.148 ( 15.313 -0.000 4.901) 16.078 10.364 ( -11.194 0.000 -18.443) 21.574 11.723 ( 19.305 -0.000 25.610) 32.071 12.368 ( 39.126 0.000 -1.157) 39.143 12.628 ( -1.269 -0.000 3.362) 3.593 13.646 ( -15.173 -0.000 7.329) 16.850 14.736 ( -20.665 -0.000 1.305) 20.706 15.131 ( 30.144 0.000 -27.999) 41.141 15.184 ( -2.654 -0.000 8.007) 8.435 16.441 ( 3.727 0.000 -27.356) 27.609 17.115 ( -1.459 0.000 -11.814) 11.904 17.613 ( -27.169 0.000 -17.771) 32.465 18.080 ( 2.089 -0.000 18.892) 19.007 18.345 ( 15.531 0.000 -3.070) 15.832 18.478 ( 0.030 -0.000 46.157) 46.157 18.896 ( -7.309 -0.000 7.306) 10.334 19.414 ( -6.034 0.000 -16.879) 17.925 19.516 ( -15.671 -0.000 3.566) 16.072 20.056 ( 3.069 0.000 -13.643) 13.984 20.124 ( 9.425 0.000 -4.694) 10.529 20.521 ( -4.106 0.000 -1.923) 4.534 20.830 ( 0.862 -0.000 4.510) 4.591 21.390 ( 4.759 -0.000 8.230) 9.507 21.691 ( -16.887 -0.000 12.732) 21.149 22.367 ( -2.806 0.000 -1.009) 2.981 23.206 ( -4.320 0.000 -7.200) 8.396 23.235 ( 4.995 0.000 -4.549) 6.756 23.513 ( -4.841 0.000 -4.069) 6.324 23.732 ( -23.379 -0.000 0.416) 23.383 24.058 ( -14.245 -0.000 9.169) 16.940 25.663 ( -8.641 -0.000 0.808) 8.678 25.692 ( 9.578 -0.000 1.454) 9.688 26.750 ( 2.883 0.000 -15.144) 15.417 27.237 ( 5.171 -0.000 20.759) 21.394 27.467 ( -3.895 0.000 -5.102) 6.419 28.163 ( 8.725 -0.000 5.465) 10.295 28.991 ( 9.772 0.000 -2.750) 10.151 29.466 ( -6.706 -0.000 5.775) 8.850 30.391 ( 2.247 -0.000 3.037) 3.778 30.413 ( 0.448 -0.000 5.191) 5.210 33.519 ( 15.207 0.000 -2.102) 15.352 34.636 ( -5.979 0.000 -3.497) 6.926 35.909 ( -4.974 0.000 -0.450) 4.995 44.616 ( -0.252 -0.000 2.004) 2.020 ======================= Grid point 379 (138/186) ======================= q-point: ( 0.45 0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.848 ( 6.245 0.000 -2.682) 6.796 7.996 ( 8.978 0.000 -17.420) 19.597 8.315 ( 2.445 0.000 -8.659) 8.998 9.882 ( -0.079 0.000 -5.598) 5.599 10.253 ( 0.087 0.000 -28.912) 28.912 10.354 ( 5.387 -0.000 8.019) 9.660 12.167 ( 23.400 -0.000 13.592) 27.061 12.584 ( -2.089 -0.000 18.655) 18.772 12.722 ( -4.623 -0.000 10.889) 11.830 13.430 ( -6.074 -0.000 6.120) 8.622 14.566 ( 3.324 0.000 -7.669) 8.359 15.151 ( -0.798 -0.000 7.765) 7.806 15.541 ( 12.045 0.000 -11.137) 16.404 16.512 ( -3.989 0.000 -44.475) 44.654 17.088 ( -0.922 0.000 -11.720) 11.756 17.143 ( -10.504 -0.000 1.550) 10.618 18.111 ( 2.118 -0.000 19.283) 19.399 18.334 ( -10.361 -0.000 20.781) 23.221 18.654 ( 12.230 0.000 -3.535) 12.731 18.804 ( -0.834 -0.000 1.108) 1.387 19.230 ( -10.531 0.000 -6.605) 12.431 19.391 ( -1.258 -0.000 5.264) 5.412 20.134 ( 3.385 0.000 -1.010) 3.532 20.217 ( 1.535 0.000 -15.202) 15.279 20.487 ( -0.438 0.000 -6.308) 6.323 20.873 ( 2.232 0.000 -8.494) 8.783 21.449 ( -6.922 -0.000 23.062) 24.078 21.536 ( 7.039 -0.000 16.101) 17.573 22.286 ( -4.103 -0.000 0.505) 4.134 23.175 ( 2.019 0.000 -2.763) 3.422 23.298 ( 1.828 -0.000 0.275) 1.848 23.350 ( -14.371 0.000 -4.764) 15.140 23.444 ( -2.389 0.000 -9.818) 10.104 23.857 ( -5.455 -0.000 9.974) 11.368 25.555 ( -2.634 0.000 -0.050) 2.634 25.822 ( 3.516 -0.000 2.096) 4.094 26.783 ( 0.756 0.000 -13.562) 13.583 27.296 ( 1.307 -0.000 21.166) 21.206 27.413 ( -1.483 0.000 -5.380) 5.581 28.261 ( 2.030 -0.000 4.705) 5.124 29.174 ( 7.271 0.000 -3.794) 8.201 29.365 ( -4.040 -0.000 5.965) 7.205 30.419 ( 0.181 -0.000 4.709) 4.712 30.425 ( 1.016 -0.000 4.316) 4.434 33.717 ( 5.158 0.000 -2.039) 5.546 34.548 ( -2.585 0.000 -4.786) 5.440 35.843 ( -1.746 -0.000 0.183) 1.755 44.613 ( -0.095 -0.000 2.373) 2.375 ======================= Grid point 385 (139/186) ======================= q-point: ( 0.00 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.606 ( 0.000 7.652 8.277) 11.272 7.304 ( 0.000 -7.843 -27.639) 28.730 7.799 ( 0.000 3.220 -4.004) 5.138 8.730 ( 0.000 -6.479 -33.532) 34.152 9.124 ( 0.000 -25.172 -15.349) 29.482 9.521 ( 0.000 8.496 -13.719) 16.137 10.442 ( 0.000 1.000 -26.527) 26.546 11.689 ( 0.000 13.208 -35.318) 37.706 12.167 ( 0.000 1.344 -2.805) 3.111 12.405 ( 0.000 3.565 51.330) 51.453 14.179 ( 0.000 3.098 -12.821) 13.190 16.000 ( 0.000 -6.634 30.025) 30.749 16.124 ( 0.000 -3.970 2.125) 4.503 16.677 ( 0.000 2.301 -47.151) 47.207 16.793 ( 0.000 -5.261 -5.521) 7.626 17.626 ( 0.000 -3.784 70.091) 70.193 18.260 ( 0.000 -10.290 -12.890) 16.493 18.579 ( 0.000 -9.344 3.482) 9.971 18.585 ( 0.000 -0.856 31.791) 31.802 18.887 ( 0.000 0.372 8.242) 8.251 19.220 ( 0.000 -15.606 0.338) 15.609 19.576 ( 0.000 6.916 6.243) 9.317 19.933 ( 0.000 40.240 -10.003) 41.464 20.712 ( 0.000 -0.458 -1.555) 1.621 21.033 ( 0.000 2.033 -4.534) 4.969 21.139 ( 0.000 0.240 -20.173) 20.174 22.387 ( 0.000 -0.574 -3.455) 3.502 22.434 ( 0.000 1.738 -12.492) 12.612 22.699 ( 0.000 1.162 7.159) 7.253 22.699 ( 0.000 2.643 8.545) 8.945 23.722 ( 0.000 -3.575 2.441) 4.329 24.027 ( 0.000 0.251 -4.861) 4.868 24.659 ( 0.000 -7.539 -5.178) 9.145 24.967 ( 0.000 -1.126 1.860) 2.174 25.003 ( 0.000 0.362 -13.514) 13.519 25.022 ( 0.000 3.869 1.613) 4.191 26.763 ( 0.000 0.545 3.923) 3.960 26.900 ( 0.000 -1.318 7.980) 8.088 27.723 ( 0.000 1.274 -1.238) 1.776 27.801 ( 0.000 -1.404 17.464) 17.521 28.679 ( 0.000 -0.347 -1.457) 1.498 30.227 ( 0.000 -0.707 -0.542) 0.891 30.523 ( 0.000 -0.585 7.447) 7.470 31.160 ( 0.000 0.452 -2.068) 2.117 31.284 ( 0.000 -0.354 4.985) 4.997 34.987 ( 0.000 -0.284 0.099) 0.300 36.223 ( 0.000 -0.066 -5.244) 5.245 44.638 ( 0.000 0.095 0.317) 0.331 ======================= Grid point 386 (140/186) ======================= q-point: ( 0.09 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.769 ( 16.230 6.924 7.237) 19.072 7.494 ( 16.875 -7.110 -20.101) 27.191 7.804 ( 0.603 3.373 -2.825) 4.441 8.693 ( 2.627 -8.252 -35.797) 36.830 9.241 ( 3.535 -19.041 10.209) 21.892 9.752 ( 27.227 6.773 -36.688) 46.187 10.422 ( -1.924 1.524 -25.077) 25.197 11.840 ( 13.923 9.713 -27.094) 31.973 12.118 ( -3.370 2.957 15.285) 15.929 12.528 ( 12.304 2.799 21.773) 25.165 14.159 ( -2.178 2.938 -12.079) 12.621 15.871 ( -11.751 -8.547 21.590) 26.024 16.028 ( -9.883 -1.178 3.547) 10.566 16.561 ( -9.826 -0.294 -33.793) 35.194 16.867 ( 5.667 -2.305 -5.198) 8.028 17.778 ( 13.016 -5.877 54.015) 55.871 18.192 ( -5.832 -9.247 -8.767) 14.013 18.485 ( -4.613 -1.628 12.006) 12.964 18.675 ( 3.340 -5.071 23.934) 24.693 18.875 ( -0.343 -6.708 -1.464) 6.874 19.302 ( 7.607 -9.892 3.360) 12.923 19.542 ( -3.236 6.640 5.783) 9.382 19.920 ( -1.281 34.990 -8.361) 35.998 20.687 ( -2.893 -0.433 0.170) 2.930 20.870 ( -8.599 4.483 -11.885) 15.339 21.309 ( 9.068 0.553 -9.953) 13.476 22.104 ( -29.481 1.548 -6.830) 30.302 22.346 ( -3.638 0.427 -1.520) 3.966 22.656 ( -1.907 -0.187 5.356) 5.688 22.781 ( 4.694 3.218 4.779) 7.432 23.617 ( -8.493 -3.246 4.881) 10.319 23.917 ( -9.314 -0.323 -5.579) 10.862 24.783 ( -1.310 -4.150 -2.087) 4.827 24.809 ( 1.812 -2.555 -6.360) 7.089 24.972 ( -2.634 2.334 3.821) 5.195 25.427 ( 29.086 0.233 -12.114) 31.508 26.734 ( -12.500 -0.648 7.967) 14.837 26.857 ( 5.681 0.633 6.097) 8.358 27.679 ( -3.745 -0.830 -0.660) 3.893 27.811 ( 1.139 0.496 12.736) 12.797 28.714 ( 3.039 -0.471 -0.170) 3.080 30.241 ( 1.122 -0.710 0.009) 1.328 30.520 ( -0.466 -0.657 7.129) 7.174 30.599 ( -28.218 -0.075 3.602) 28.447 31.907 ( 34.893 0.157 -0.082) 34.894 34.953 ( -3.478 -0.283 -0.338) 3.506 36.190 ( -3.297 -0.071 -4.908) 5.913 44.641 ( 0.270 0.091 0.610) 0.673 ======================= Grid point 387 (141/186) ======================= q-point: ( 0.18 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.198 ( 26.666 5.375 3.534) 27.431 7.758 ( 4.981 -4.197 -3.765) 7.524 7.864 ( 8.034 2.990 -5.969) 10.446 8.963 ( 24.580 -11.228 -31.504) 41.505 9.282 ( 3.630 -5.008 3.989) 7.360 10.326 ( 2.457 -1.138 -28.164) 28.294 10.522 ( 38.511 3.959 -15.183) 41.585 12.010 ( -0.487 -0.717 23.146) 23.162 12.222 ( 17.070 9.181 -11.125) 22.348 12.903 ( 27.261 2.118 -15.411) 31.387 14.088 ( -5.324 2.461 -9.325) 11.016 15.585 ( -17.869 -11.537 4.877) 21.822 15.773 ( -14.631 4.027 10.089) 18.223 16.344 ( -11.807 -2.632 -22.131) 25.221 16.964 ( 3.645 0.386 -2.480) 4.425 17.976 ( 1.723 -7.356 18.575) 20.052 18.087 ( -2.816 -9.508 -5.913) 11.545 18.387 ( -5.113 2.596 11.675) 13.007 18.745 ( 5.300 -10.939 16.083) 20.160 18.882 ( 0.582 -6.804 0.547) 6.850 19.437 ( 0.770 4.181 11.627) 12.380 19.505 ( 3.992 0.712 -3.942) 5.655 19.901 ( 0.329 19.328 -3.838) 19.709 20.583 ( -8.440 0.176 8.055) 11.669 20.747 ( -4.489 11.056 -10.948) 16.194 21.419 ( -1.592 -0.046 -0.611) 1.706 21.481 ( -26.318 2.786 -0.200) 26.466 22.304 ( -0.249 -0.509 -1.661) 1.755 22.574 ( -6.607 2.952 10.196) 12.503 22.885 ( 5.482 0.258 -0.670) 5.529 23.430 ( -10.656 -2.193 2.950) 11.272 23.726 ( -9.506 -0.761 -5.705) 11.113 24.548 ( -15.339 -1.171 -3.572) 15.793 24.777 ( -9.554 2.672 8.084) 12.798 25.136 ( 15.489 -5.316 -1.617) 16.456 25.960 ( 22.142 -0.217 -17.800) 28.410 26.375 ( -20.982 0.603 3.887) 21.348 27.082 ( 16.106 0.486 12.733) 20.537 27.593 ( -4.965 -0.857 -2.169) 5.485 27.866 ( 5.182 0.595 8.147) 9.674 28.772 ( 2.579 -0.535 0.400) 2.664 30.084 ( -19.482 -0.525 6.252) 20.467 30.315 ( 1.814 -0.804 1.194) 2.316 30.516 ( -0.311 -0.444 6.694) 6.716 32.554 ( 31.116 0.252 -1.554) 31.155 34.855 ( -6.494 -0.267 -1.669) 6.710 36.102 ( -5.461 -0.090 -3.924) 6.725 44.648 ( 0.454 0.079 1.398) 1.472 ======================= Grid point 388 (142/186) ======================= q-point: ( 0.27 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.748 ( 28.560 3.693 -4.139) 29.094 7.801 ( 1.791 -0.295 0.210) 1.828 8.012 ( 6.280 1.038 -6.717) 9.254 9.325 ( 8.363 -4.686 -14.170) 17.108 9.603 ( 29.738 -3.507 -11.858) 32.206 10.252 ( -5.539 1.974 -17.433) 18.398 11.423 ( 47.364 -2.711 -0.874) 47.449 12.029 ( 4.493 1.169 27.845) 28.229 12.550 ( 15.129 4.933 -3.435) 16.280 13.595 ( 42.333 0.496 -39.985) 58.234 13.951 ( -7.749 2.857 -4.597) 9.452 15.157 ( -25.672 -9.105 -5.488) 27.787 15.535 ( -9.162 3.858 15.869) 18.725 16.137 ( -8.535 -3.651 -16.390) 18.836 16.997 ( -0.237 1.776 -2.425) 3.015 17.753 ( -22.248 -2.911 -15.246) 27.127 18.091 ( 2.068 -7.058 -5.190) 9.001 18.338 ( 0.214 -4.125 11.493) 12.213 18.806 ( -1.947 -10.715 -17.544) 20.649 18.921 ( 3.907 -9.442 19.053) 21.620 19.415 ( -1.630 10.724 15.566) 18.972 19.582 ( 2.384 1.982 -10.310) 10.766 19.962 ( 4.840 2.803 -0.897) 5.665 20.335 ( -16.514 2.532 26.700) 31.496 20.667 ( -4.507 16.451 -8.602) 19.104 21.030 ( -13.740 0.777 1.007) 13.798 21.473 ( 3.504 1.371 7.315) 8.226 22.309 ( -1.619 -3.096 3.973) 5.291 22.421 ( -6.939 5.618 17.803) 19.916 22.979 ( 3.961 -2.167 -6.867) 8.218 23.219 ( -10.176 0.991 -4.978) 11.372 23.563 ( -7.203 -0.849 -4.838) 8.718 24.206 ( -19.594 -0.532 1.671) 19.673 24.548 ( -13.259 2.682 10.918) 17.383 25.436 ( 14.592 -5.582 0.279) 15.625 25.943 ( -17.499 0.868 1.277) 17.567 26.308 ( 10.156 0.302 -20.432) 22.819 27.399 ( 13.099 -0.877 16.301) 20.930 27.496 ( -4.196 1.064 -1.749) 4.669 28.032 ( 11.738 -0.059 4.899) 12.720 28.818 ( 2.845 -0.224 -1.961) 3.462 29.772 ( -12.317 -0.835 8.196) 14.819 30.379 ( 3.991 -0.947 2.876) 5.010 30.510 ( -0.219 -0.345 5.934) 5.948 33.093 ( 24.015 0.285 -2.486) 24.145 34.709 ( -8.361 -0.206 -3.802) 9.187 35.991 ( -5.672 -0.130 -2.465) 6.186 44.657 ( 0.494 0.064 2.436) 2.486 ======================= Grid point 389 (143/186) ======================= q-point: ( 0.36 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.256 ( 22.817 2.394 -14.518) 27.150 7.836 ( 1.219 0.508 -1.705) 2.157 8.115 ( 4.399 1.443 -7.138) 8.508 9.492 ( 9.392 0.470 -16.825) 19.274 10.086 ( 6.469 -2.568 -10.359) 12.479 10.166 ( 8.055 4.784 -5.306) 10.767 12.069 ( 15.342 -8.376 14.034) 22.416 12.368 ( 29.382 -1.716 10.248) 31.165 12.811 ( 13.431 6.114 3.510) 15.168 13.730 ( -10.671 -0.818 2.428) 10.974 14.492 ( 34.159 1.089 -38.852) 51.745 14.681 ( -12.581 -5.059 -3.141) 13.919 15.415 ( -3.524 4.258 13.387) 14.483 16.046 ( -1.459 -3.336 -15.309) 15.736 16.962 ( -3.160 0.797 -4.072) 5.215 17.231 ( -25.820 0.416 -23.964) 35.229 18.164 ( 3.692 -14.370 -5.706) 15.896 18.389 ( 5.667 2.452 7.230) 9.508 18.721 ( -5.382 -10.544 -12.804) 17.438 18.952 ( -2.515 -6.798 4.939) 8.771 19.300 ( -10.689 3.205 1.717) 11.291 19.619 ( 0.696 5.094 5.801) 7.752 19.985 ( -9.606 -3.172 8.386) 13.140 20.039 ( -6.078 0.726 4.219) 7.434 20.571 ( -4.393 19.157 -8.268) 21.322 20.874 ( -4.396 3.295 -0.466) 5.514 21.620 ( 11.738 -0.298 15.070) 19.104 22.206 ( -4.597 -1.863 33.905) 34.266 22.369 ( -1.760 3.180 5.548) 6.633 23.018 ( -0.799 -1.878 -11.875) 12.049 23.096 ( -0.542 3.330 -10.391) 10.925 23.443 ( -5.523 -0.675 -3.879) 6.782 23.808 ( -20.708 0.137 7.923) 22.172 24.293 ( -12.036 2.929 13.380) 18.234 25.645 ( -2.282 -4.029 0.812) 4.701 25.709 ( 2.704 -0.701 -0.041) 2.793 26.450 ( 4.801 0.346 -18.585) 19.198 27.394 ( -3.950 0.571 -3.335) 5.201 27.595 ( 5.668 -0.055 18.662) 19.504 28.247 ( 7.928 -0.604 4.345) 9.061 28.920 ( 8.076 0.419 -5.423) 9.737 29.593 ( -6.685 -1.031 8.671) 10.998 30.457 ( 3.727 -1.322 5.036) 6.403 30.508 ( 0.084 -0.066 5.236) 5.237 33.474 ( 15.066 0.270 -2.966) 15.357 34.547 ( -7.801 -0.095 -6.239) 9.990 35.895 ( -3.986 -0.182 -1.014) 4.117 44.666 ( 0.377 0.050 3.396) 3.417 ======================= Grid point 390 (144/186) ======================= q-point: ( 0.45 -0.60 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.601 ( 11.800 2.419 -21.791) 24.898 7.824 ( -2.627 0.218 -5.858) 6.424 8.176 ( 1.681 1.544 -7.809) 8.136 9.671 ( 7.633 0.046 -21.719) 23.021 9.976 ( -6.367 4.968 1.494) 8.212 10.420 ( 7.447 3.723 -4.393) 9.414 12.354 ( 13.870 -2.343 9.023) 16.712 12.638 ( -0.330 -19.636 9.570) 21.846 13.068 ( 7.618 11.917 4.243) 14.766 13.559 ( -5.404 -0.049 7.859) 9.538 14.376 ( -3.757 -7.104 -4.178) 9.058 15.236 ( 27.197 -1.105 -19.196) 33.307 15.392 ( 2.835 8.278 5.710) 10.449 15.844 ( -24.504 -0.779 -25.563) 35.419 16.926 ( 0.071 1.439 -3.647) 3.921 17.069 ( 10.000 -0.466 -8.461) 13.107 18.152 ( -5.604 -20.019 -7.635) 22.146 18.534 ( 5.497 -1.231 7.030) 9.009 18.632 ( -1.915 -0.669 -7.584) 7.851 18.752 ( -13.277 7.152 -1.849) 15.194 19.125 ( -4.394 -10.544 1.874) 11.575 19.613 ( -0.544 10.715 9.925) 14.615 19.795 ( -5.326 -18.584 -9.323) 21.463 19.980 ( -2.385 3.238 -9.304) 10.136 20.521 ( -0.962 21.767 -10.373) 24.132 20.821 ( -1.290 4.797 -1.572) 5.210 21.869 ( 11.018 -0.761 19.862) 22.726 22.165 ( -1.721 -5.080 34.750) 35.161 22.313 ( -2.705 4.765 12.909) 14.024 23.029 ( 2.925 3.094 -8.708) 9.693 23.139 ( 2.981 0.066 -14.735) 15.034 23.340 ( -4.873 -1.161 -1.777) 5.315 23.456 ( -12.742 1.437 11.591) 17.285 24.122 ( -4.804 3.188 14.679) 15.771 25.545 ( -2.790 -0.169 -0.964) 2.957 25.827 ( 3.640 -4.869 1.589) 6.283 26.508 ( 1.432 0.483 -17.198) 17.264 27.339 ( -1.522 1.160 -3.642) 4.114 27.661 ( 1.518 -0.417 19.262) 19.326 28.326 ( 1.313 -0.834 3.190) 3.549 29.079 ( 5.895 0.732 -6.924) 9.123 29.498 ( -2.970 -1.095 9.063) 9.600 30.498 ( 0.379 -1.424 5.347) 5.546 30.525 ( 1.366 -0.063 6.091) 6.242 33.672 ( 5.212 0.223 -3.041) 6.038 34.431 ( -3.419 0.020 -8.011) 8.710 35.842 ( -1.376 -0.218 -0.151) 1.401 44.671 ( 0.140 0.041 3.969) 3.972 ======================= Grid point 396 (145/186) ======================= q-point: ( 0.00 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.924 ( 0.000 -0.408 16.222) 16.227 6.457 ( 0.000 -24.979 -43.549) 50.205 7.783 ( 0.000 6.069 -3.132) 6.830 8.101 ( 0.000 -13.514 -55.541) 57.161 8.268 ( 0.000 -4.280 -12.776) 13.474 9.369 ( 0.000 -1.891 -13.556) 13.687 10.125 ( 0.000 -11.145 -7.581) 13.479 11.370 ( 0.000 26.997 -25.348) 37.032 12.147 ( 0.000 -4.430 1.437) 4.657 13.212 ( 0.000 7.016 29.227) 30.057 14.107 ( 0.000 6.955 -2.911) 7.540 15.954 ( 0.000 -6.300 -14.760) 16.048 16.090 ( 0.000 -8.537 0.745) 8.569 16.587 ( 0.000 -3.273 27.373) 27.568 16.629 ( 0.000 -9.519 -2.360) 9.808 17.783 ( 0.000 -13.691 -7.364) 15.546 18.284 ( 0.000 -15.305 -16.456) 22.473 18.517 ( 0.000 -5.188 26.217) 26.726 19.011 ( 0.000 6.782 -1.523) 6.951 19.143 ( 0.000 -3.090 2.829) 4.189 19.520 ( 0.000 8.937 58.571) 59.249 19.652 ( 0.000 1.511 -3.184) 3.525 20.206 ( 0.000 35.301 -7.113) 36.010 20.752 ( 0.000 -4.123 -5.038) 6.510 20.970 ( 0.000 4.814 11.449) 12.420 21.009 ( 0.000 6.067 -3.041) 6.786 22.223 ( 0.000 5.679 -15.774) 16.765 22.237 ( 0.000 -2.822 -10.488) 10.861 22.755 ( 0.000 7.419 -9.026) 11.684 22.837 ( 0.000 -0.672 7.547) 7.577 23.768 ( 0.000 -4.786 8.436) 9.699 23.959 ( 0.000 1.007 -3.311) 3.461 24.424 ( 0.000 -11.951 -8.126) 14.452 24.730 ( 0.000 1.948 -17.131) 17.241 24.978 ( 0.000 0.336 1.100) 1.151 25.150 ( 0.000 4.550 5.457) 7.105 26.852 ( 0.000 0.530 4.836) 4.865 26.983 ( 0.000 -5.400 5.144) 7.458 27.744 ( 0.000 3.709 0.408) 3.731 28.070 ( 0.000 -3.719 14.978) 15.433 28.639 ( 0.000 -0.906 -2.076) 2.265 30.210 ( 0.000 -1.562 0.007) 1.562 30.626 ( 0.000 -1.928 5.464) 5.794 31.137 ( 0.000 1.456 -1.532) 2.113 31.369 ( 0.000 -0.928 5.105) 5.188 34.981 ( 0.000 -0.822 -0.175) 0.840 36.122 ( 0.000 -0.124 -5.607) 5.609 44.647 ( 0.000 0.254 0.415) 0.486 ======================= Grid point 397 (146/186) ======================= q-point: ( 0.09 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.053 ( 13.193 -0.839 15.030) 20.017 6.831 ( 33.334 -22.841 -32.949) 52.139 7.804 ( 2.259 5.559 -2.655) 6.562 8.070 ( 2.791 -8.247 -28.951) 30.232 8.648 ( 32.016 -13.415 -35.703) 49.796 9.380 ( 3.553 5.168 -14.672) 15.957 10.117 ( 0.405 -3.744 -11.845) 12.429 11.567 ( 18.239 18.318 -21.289) 33.487 12.152 ( 0.753 -4.718 0.272) 4.786 13.156 ( -5.218 6.807 26.317) 27.679 14.095 ( -1.359 7.000 -2.447) 7.539 15.768 ( -15.683 -7.591 -6.846) 18.720 16.078 ( -3.298 -9.974 -2.724) 10.852 16.395 ( -11.636 -1.009 12.875) 17.383 16.810 ( 9.721 -8.020 8.365) 15.126 17.762 ( -2.061 -13.306 -8.727) 16.046 18.138 ( -11.792 -13.733 -11.045) 21.205 18.603 ( 4.672 -3.160 16.799) 17.720 18.854 ( -11.492 5.265 -1.866) 12.777 19.225 ( 2.251 -1.175 2.493) 3.558 19.381 ( -6.344 -4.465 21.653) 23.000 19.792 ( 8.501 11.565 23.878) 27.860 20.168 ( -4.735 25.401 -1.611) 25.889 20.679 ( -3.964 7.288 -12.782) 15.238 20.930 ( 2.606 3.460 20.251) 20.709 21.233 ( 13.175 2.418 -0.391) 13.400 21.895 ( -24.587 2.444 -16.820) 29.890 22.283 ( -0.707 2.502 -6.572) 7.068 22.696 ( -2.151 0.823 -1.607) 2.809 22.923 ( 4.372 5.206 3.928) 7.851 23.686 ( -7.937 -5.321 7.575) 12.193 23.821 ( -10.536 -0.193 -4.300) 11.382 24.607 ( 7.470 -5.465 -10.309) 13.854 24.671 ( 2.572 -5.261 -3.959) 7.069 25.108 ( -4.028 4.207 5.518) 8.023 25.217 ( 19.869 2.408 -10.875) 22.778 26.825 ( -12.262 -3.383 4.865) 13.619 26.991 ( 9.916 0.312 7.078) 12.187 27.678 ( -6.042 1.089 0.493) 6.160 28.014 ( -3.410 -1.379 9.870) 10.533 28.702 ( 4.645 -1.455 0.102) 4.869 30.233 ( 2.278 -1.619 0.518) 2.843 30.606 ( -7.090 -2.512 4.218) 8.624 30.676 ( -19.658 0.464 4.714) 20.220 31.914 ( 33.115 0.391 0.479) 33.121 34.938 ( -4.379 -0.797 -0.702) 4.506 36.096 ( -2.606 -0.148 -5.188) 5.807 44.655 ( 0.798 0.241 0.705) 1.091 ======================= Grid point 398 (147/186) ======================= q-point: ( 0.18 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.387 ( 19.292 0.591 10.914) 22.173 7.465 ( 25.286 -16.322 -16.874) 34.504 7.856 ( 2.752 5.568 -1.729) 6.448 8.302 ( 22.810 -13.538 -22.668) 34.891 9.179 ( 14.251 -10.424 -9.738) 20.164 9.764 ( 33.619 13.050 -32.581) 48.601 10.266 ( 25.939 2.386 -16.093) 30.619 11.979 ( 21.740 5.806 -14.609) 26.828 12.197 ( 4.880 -5.504 -3.929) 8.340 13.047 ( -4.638 5.971 14.952) 16.755 14.051 ( -3.227 6.910 -0.958) 7.686 15.415 ( -19.852 -8.858 -0.696) 21.749 15.963 ( -7.718 -10.441 -1.324) 13.051 16.150 ( -13.212 1.299 10.744) 17.078 16.971 ( 6.522 -4.975 5.430) 9.837 17.693 ( -6.916 -12.710 -14.072) 20.184 17.872 ( -14.174 -9.901 -14.143) 22.337 18.514 ( -13.646 4.541 -2.557) 14.607 18.744 ( 0.775 -2.224 8.109) 8.445 19.116 ( -8.307 -6.070 8.724) 13.489 19.403 ( 3.173 -5.586 0.840) 6.479 19.920 ( 3.800 10.601 13.281) 17.413 20.030 ( -7.481 11.995 10.308) 17.496 20.664 ( 1.335 18.629 -14.251) 23.493 21.020 ( 5.259 1.626 31.586) 32.062 21.380 ( -23.842 5.117 -12.610) 27.452 21.463 ( 7.663 1.869 4.610) 9.136 22.265 ( -0.050 2.691 -4.152) 4.948 22.682 ( 0.576 -1.371 1.181) 1.899 22.981 ( 1.713 6.664 6.222) 9.277 23.476 ( -13.631 -5.226 5.070) 15.453 23.615 ( -10.030 -0.546 -4.919) 11.185 24.481 ( -9.829 -1.239 -1.902) 10.088 24.926 ( 1.891 -1.378 3.442) 4.162 25.049 ( 8.219 -3.882 1.245) 9.174 25.616 ( 18.986 2.404 -20.009) 27.688 26.445 ( -24.134 -0.431 3.239) 24.354 27.302 ( 19.937 0.325 10.738) 22.647 27.558 ( -5.423 -0.995 -0.714) 5.559 27.991 ( 1.473 0.382 5.069) 5.293 28.767 ( 1.557 -1.586 0.328) 2.247 30.190 ( -16.275 -1.615 6.413) 17.567 30.325 ( 1.924 -1.827 1.450) 3.024 30.614 ( -0.878 -1.298 5.230) 5.460 32.534 ( 30.018 0.660 -1.180) 30.048 34.814 ( -8.212 -0.694 -2.225) 8.537 36.027 ( -4.209 -0.224 -4.025) 5.828 44.676 ( 1.345 0.206 1.485) 2.014 ======================= Grid point 399 (148/186) ======================= q-point: ( 0.27 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.745 ( 16.977 1.385 -0.582) 17.044 7.757 ( 6.845 -4.426 -4.510) 9.316 7.920 ( 4.262 4.189 -5.717) 8.270 8.846 ( 27.275 -16.105 -19.067) 36.971 9.427 ( 15.518 -1.642 -9.584) 18.313 10.090 ( 9.000 16.524 -9.377) 21.023 11.331 ( 61.809 -3.449 -6.546) 62.251 12.323 ( 15.491 0.971 -0.125) 15.522 12.410 ( 15.845 -7.249 -13.827) 22.244 13.065 ( 10.841 1.823 -15.562) 19.053 13.972 ( -4.597 6.954 1.443) 8.460 15.021 ( -20.205 -8.388 5.567) 22.574 15.813 ( -6.858 -8.910 2.372) 11.491 15.915 ( -10.034 0.936 7.375) 12.488 17.040 ( -1.310 -0.178 1.205) 1.789 17.334 ( -25.471 -4.194 -23.243) 34.736 17.749 ( -0.514 -12.363 -12.857) 17.844 18.271 ( -9.734 -2.951 -8.350) 13.160 18.738 ( -1.860 -1.289 5.357) 5.816 19.004 ( -2.674 -8.430 10.137) 13.453 19.381 ( -6.048 -2.483 -5.647) 8.639 19.906 ( -1.645 -0.993 0.775) 2.072 19.976 ( -1.347 12.700 13.413) 18.520 20.663 ( -3.021 16.256 -10.504) 19.589 20.922 ( -22.013 11.128 6.240) 25.443 21.073 ( -2.223 3.169 19.041) 19.431 21.623 ( 8.980 0.510 8.210) 12.177 22.299 ( 3.154 1.372 -1.906) 3.933 22.722 ( 3.330 -2.987 2.815) 5.285 22.992 ( -0.995 5.086 13.835) 14.774 23.175 ( -14.786 -0.015 -0.088) 14.787 23.454 ( -6.533 -0.913 -5.842) 8.812 24.267 ( -12.027 -0.845 6.703) 13.795 24.770 ( -10.979 4.126 8.961) 14.760 25.350 ( 15.736 -9.065 -1.103) 18.194 25.896 ( 3.995 1.268 -15.300) 15.864 26.011 ( -12.610 2.122 -5.943) 14.100 27.441 ( -4.528 -0.765 -1.101) 4.722 27.696 ( 15.278 0.582 13.553) 20.431 28.098 ( 10.278 0.024 2.372) 10.548 28.770 ( -0.352 -0.831 -2.668) 2.817 29.905 ( -11.686 -2.393 8.202) 14.477 30.417 ( 5.738 -2.218 3.101) 6.890 30.598 ( -0.740 -1.190 4.653) 4.859 33.055 ( 23.295 0.729 -2.223) 23.412 34.629 ( -10.554 -0.480 -4.467) 11.470 35.943 ( -4.239 -0.343 -2.469) 4.918 44.704 ( 1.467 0.161 2.507) 2.909 ======================= Grid point 400 (149/186) ======================= q-point: ( 0.36 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.041 ( 13.637 2.981 -12.688) 18.864 7.791 ( -2.106 0.573 -3.909) 4.477 8.013 ( 4.540 2.953 -7.069) 8.906 9.220 ( 11.614 -1.983 -11.415) 16.405 9.808 ( 21.259 -6.293 -14.697) 26.600 10.251 ( 7.153 15.925 1.985) 17.570 12.115 ( 21.477 -9.837 7.011) 24.641 12.554 ( 4.982 -4.082 0.923) 6.506 12.736 ( 15.384 -3.312 -7.844) 17.583 13.625 ( 28.981 -5.773 -21.075) 36.296 13.968 ( 17.118 9.427 -10.519) 22.193 14.671 ( -13.617 -6.175 10.660) 18.363 15.702 ( -5.638 -2.672 11.856) 13.397 15.804 ( -1.801 -3.673 -3.635) 5.472 16.705 ( -20.451 -1.134 -26.000) 33.099 17.116 ( -2.020 6.954 5.658) 9.190 17.778 ( 2.222 -16.081 -12.797) 20.672 18.132 ( -5.029 -11.374 -17.210) 21.233 18.706 ( -0.705 3.877 3.564) 5.313 18.988 ( -0.221 -8.082 10.352) 13.135 19.212 ( -10.301 -6.829 -3.677) 12.895 19.839 ( -11.856 -1.116 -5.112) 12.959 19.914 ( -2.415 6.867 7.270) 10.288 20.393 ( -25.533 6.554 14.410) 30.042 20.610 ( -5.679 18.646 -9.954) 21.886 20.969 ( -6.742 9.211 2.667) 11.722 21.846 ( 13.554 -1.299 10.662) 17.294 22.354 ( 1.499 -0.373 3.633) 3.948 22.724 ( -5.813 -1.747 -7.368) 9.546 22.909 ( -2.027 1.702 3.533) 4.415 23.116 ( 7.253 5.972 21.562) 23.520 23.354 ( -3.883 -0.571 -4.062) 5.649 24.017 ( -13.722 0.334 15.325) 20.573 24.555 ( -10.293 4.715 10.666) 15.554 25.598 ( 6.238 -7.701 0.229) 9.913 25.675 ( -6.656 -0.958 -2.344) 7.121 26.115 ( 6.654 2.567 -19.886) 21.126 27.359 ( -3.579 1.371 -1.892) 4.274 27.884 ( 5.665 -0.816 14.195) 15.305 28.310 ( 7.339 -0.970 4.080) 8.453 28.814 ( 6.226 0.902 -7.287) 9.627 29.730 ( -6.695 -2.848 8.561) 11.235 30.527 ( 4.978 -2.829 5.036) 7.625 30.588 ( 0.058 -0.941 4.178) 4.283 33.426 ( 14.713 0.692 -2.846) 15.002 34.425 ( -9.772 -0.180 -6.824) 11.920 35.872 ( -2.915 -0.463 -1.081) 3.143 44.730 ( 1.122 0.120 3.447) 3.627 ======================= Grid point 401 (150/186) ======================= q-point: ( 0.45 -0.50 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.259 ( 7.438 6.506 -20.894) 23.113 7.718 ( -3.798 -0.858 -5.287) 6.566 8.076 ( 1.684 3.325 -6.520) 7.510 9.353 ( 3.098 3.891 -14.427) 15.261 10.142 ( 11.083 1.329 3.767) 11.781 10.332 ( 0.739 8.517 -6.184) 10.551 12.408 ( 11.038 -10.063 4.403) 15.572 12.558 ( -4.032 -7.239 -1.787) 8.476 12.950 ( 6.116 -11.051 -17.085) 21.247 13.713 ( -1.682 2.129 8.152) 8.591 14.350 ( 0.097 -1.912 7.353) 7.599 14.804 ( 26.106 -0.098 -19.803) 32.767 15.477 ( -20.580 -4.169 -7.382) 22.258 15.712 ( -3.590 6.254 8.897) 11.452 16.837 ( 28.706 -5.132 -10.603) 31.029 17.098 ( 1.575 12.452 9.256) 15.595 17.693 ( -14.400 -22.646 -11.376) 29.148 18.156 ( 10.315 -10.671 -24.927) 29.011 18.602 ( -17.406 6.961 -7.519) 20.198 18.942 ( -3.494 -4.281 12.598) 13.756 19.030 ( -4.438 -15.490 3.862) 16.569 19.481 ( -13.242 -13.702 -4.220) 19.516 19.865 ( -2.547 11.713 3.292) 12.431 20.091 ( -5.358 12.149 8.810) 15.935 20.553 ( -0.915 19.075 -11.358) 22.219 20.865 ( -3.193 9.893 -3.843) 11.083 22.101 ( 10.901 -3.261 5.681) 12.718 22.329 ( -3.936 -1.152 13.246) 13.867 22.615 ( -3.317 4.175 -8.472) 10.010 22.908 ( 0.490 1.711 -10.444) 10.595 23.252 ( 0.366 -2.495 0.314) 2.541 23.377 ( 10.028 3.534 34.238) 35.851 23.747 ( -12.904 2.547 18.843) 22.979 24.406 ( -4.279 5.309 11.510) 13.378 25.519 ( -3.157 -0.264 -1.678) 3.585 25.760 ( 3.652 -9.047 -1.162) 9.825 26.201 ( 2.231 2.607 -18.303) 18.622 27.310 ( -1.341 2.516 -2.000) 3.482 27.956 ( 1.901 -1.327 14.925) 15.104 28.360 ( -0.032 -1.634 2.345) 2.858 28.958 ( 5.510 1.901 -8.069) 9.954 29.639 ( -2.580 -2.989 8.732) 9.583 30.568 ( 0.137 -1.912 4.360) 4.763 30.624 ( 2.155 -2.164 5.920) 6.662 33.620 ( 5.167 0.600 -3.070) 6.040 34.281 ( -4.284 0.090 -8.458) 9.481 35.834 ( -0.998 -0.534 -0.314) 1.175 44.745 ( 0.419 0.095 4.005) 4.028 ======================= Grid point 407 (151/186) ======================= q-point: ( 0.00 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.367 ( 0.000 -42.812 -32.287) 53.622 5.781 ( 0.000 -42.372 -11.640) 43.942 7.240 ( 0.000 -8.071 -23.408) 24.761 7.837 ( 0.000 9.151 -0.366) 9.159 8.100 ( 0.000 0.265 -5.141) 5.148 9.252 ( 0.000 6.158 0.773) 6.206 9.800 ( 0.000 -9.220 -12.673) 15.673 11.391 ( 0.000 36.360 -12.468) 38.438 12.099 ( 0.000 -8.827 1.174) 8.905 13.559 ( 0.000 9.810 2.124) 10.037 14.155 ( 0.000 5.537 -1.002) 5.627 15.872 ( 0.000 -6.792 10.387) 12.410 15.951 ( 0.000 -12.473 -1.683) 12.586 16.527 ( 0.000 -10.053 2.203) 10.292 17.000 ( 0.000 -12.126 25.510) 28.245 17.648 ( 0.000 -0.062 -0.297) 0.304 17.780 ( 0.000 -11.481 -20.238) 23.268 18.773 ( 0.000 -6.098 11.296) 12.837 18.942 ( 0.000 11.175 -14.916) 18.637 19.110 ( 0.000 -6.290 0.815) 6.343 19.631 ( 0.000 -3.551 3.690) 5.121 20.418 ( 0.000 24.632 1.596) 24.683 20.557 ( 0.000 -9.158 -4.904) 10.388 20.692 ( 0.000 16.148 43.029) 45.959 21.070 ( 0.000 11.227 0.530) 11.239 21.310 ( 0.000 -3.550 12.571) 13.063 21.987 ( 0.000 10.264 -21.540) 23.861 22.080 ( 0.000 5.130 -0.711) 5.179 22.617 ( 0.000 11.879 -16.723) 20.512 22.910 ( 0.000 -3.349 2.277) 4.050 23.862 ( 0.000 -4.601 6.553) 8.007 23.932 ( 0.000 1.384 -1.386) 1.958 24.181 ( 0.000 -9.423 -3.065) 9.909 24.470 ( 0.000 1.043 -13.533) 13.573 25.012 ( 0.000 0.548 1.681) 1.768 25.288 ( 0.000 5.780 3.236) 6.624 26.910 ( 0.000 -5.726 2.871) 6.405 26.980 ( 0.000 -3.681 2.189) 4.283 27.810 ( 0.000 5.484 0.854) 5.550 28.224 ( 0.000 -6.341 8.187) 10.355 28.592 ( 0.000 -1.504 -1.534) 2.148 30.189 ( 0.000 -2.351 0.096) 2.353 30.668 ( 0.000 -3.450 2.587) 4.312 31.143 ( 0.000 2.697 -0.495) 2.742 31.433 ( 0.000 -1.505 3.259) 3.590 34.963 ( 0.000 -1.505 -0.350) 1.545 36.035 ( 0.000 -0.134 -3.627) 3.630 44.657 ( 0.000 0.414 0.295) 0.508 ======================= Grid point 408 (152/186) ======================= q-point: ( 0.09 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.867 ( 39.524 -41.781 -13.701) 59.123 6.091 ( 32.983 -34.855 -12.811) 49.667 7.342 ( 13.444 -9.077 -29.009) 33.237 7.880 ( 3.288 9.310 -0.549) 9.889 8.212 ( 13.043 0.029 -8.741) 15.701 9.344 ( 9.720 3.757 3.270) 10.921 9.839 ( 5.020 1.705 -13.772) 14.757 11.518 ( 12.054 28.171 -12.218) 32.987 12.088 ( -0.915 -8.451 0.660) 8.526 13.471 ( -8.722 9.085 1.512) 12.685 14.154 ( -0.256 5.942 -0.618) 5.980 15.749 ( -11.367 -7.897 11.435) 17.954 15.915 ( -4.182 -12.623 -0.152) 13.299 16.460 ( -6.145 -9.398 3.414) 11.736 17.015 ( 0.631 -12.088 20.113) 23.474 17.601 ( -6.175 -0.306 -5.217) 8.089 17.711 ( -5.850 -6.829 -14.689) 17.223 18.727 ( -12.316 1.839 -8.858) 15.282 18.833 ( -1.352 0.263 3.819) 4.060 19.153 ( 2.283 -5.485 -1.089) 6.041 19.543 ( -7.151 -6.235 9.962) 13.756 20.205 ( -16.020 1.411 3.327) 16.422 20.569 ( 0.200 14.803 -10.984) 18.434 20.697 ( -1.595 19.950 26.058) 32.857 21.250 ( 12.639 6.994 0.738) 14.464 21.329 ( 0.326 -7.449 11.383) 13.608 21.762 ( -8.221 15.871 -1.720) 17.956 22.223 ( 3.687 6.045 -2.262) 7.433 22.633 ( 2.276 4.855 -8.203) 9.800 22.986 ( 6.648 1.296 -2.531) 7.231 23.686 ( -14.229 -3.824 -0.340) 14.738 23.795 ( -9.329 -2.721 1.278) 9.801 24.399 ( 12.170 -1.906 -5.893) 13.655 24.537 ( 7.412 -6.233 -3.665) 10.354 25.099 ( 8.805 2.284 -4.408) 10.108 25.256 ( -2.956 5.831 3.208) 7.282 26.826 ( -11.252 -7.594 2.096) 13.735 27.095 ( 13.482 0.526 3.982) 14.067 27.714 ( -9.166 2.502 1.006) 9.555 28.119 ( -6.105 -2.639 4.449) 8.002 28.684 ( 5.745 -2.880 0.426) 6.440 30.219 ( 2.978 -2.487 0.379) 3.898 30.623 ( -9.636 -3.683 1.871) 10.484 30.754 ( -15.662 0.336 3.136) 15.976 31.930 ( 31.711 0.633 0.591) 31.722 34.912 ( -5.156 -1.420 -0.704) 5.394 36.015 ( -1.971 -0.193 -3.325) 3.870 44.669 ( 1.209 0.391 0.473) 1.355 ======================= Grid point 409 (153/186) ======================= q-point: ( 0.18 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.469 ( 20.433 -20.317 7.648) 29.812 6.850 ( 37.756 -33.720 -16.381) 53.206 7.824 ( 22.475 -6.339 -11.446) 26.006 7.961 ( 11.757 7.626 -5.880) 15.197 8.694 ( 35.424 -6.348 -20.082) 41.213 9.709 ( 34.422 5.038 -1.217) 34.810 10.038 ( 16.772 12.320 -10.366) 23.249 11.799 ( 15.367 11.069 -11.826) 22.328 12.083 ( 1.256 -5.395 -1.487) 5.736 13.245 ( -13.819 7.379 -0.766) 15.685 14.141 ( -1.217 6.844 0.587) 6.976 15.486 ( -14.535 -9.186 15.683) 23.272 15.790 ( -8.401 -12.786 0.515) 15.308 16.313 ( -8.556 -6.025 7.049) 12.617 16.992 ( -4.336 -13.783 3.242) 14.808 17.350 ( -17.889 -0.050 -12.754) 21.970 17.626 ( -3.240 0.431 -5.205) 6.146 18.402 ( -17.455 2.676 -11.693) 21.179 18.829 ( -1.406 -3.808 5.254) 6.640 19.157 ( -2.522 -3.114 1.991) 4.475 19.438 ( -3.084 -10.545 13.181) 17.159 19.917 ( -12.056 -2.891 -4.931) 13.342 20.446 ( -11.667 1.136 1.422) 11.808 20.719 ( 2.909 28.899 0.504) 29.049 21.163 ( -9.634 9.624 -10.544) 17.222 21.561 ( 13.922 3.605 12.463) 19.030 21.727 ( -1.112 9.933 18.625) 21.138 22.223 ( -1.481 6.991 -6.053) 9.365 22.705 ( 3.925 -3.907 7.622) 9.422 23.130 ( 7.797 5.373 -1.755) 9.631 23.418 ( -13.362 -4.519 -1.247) 14.161 23.570 ( -12.498 -1.387 -1.674) 12.685 24.480 ( -0.731 -0.557 3.341) 3.465 24.800 ( 15.364 -10.071 -4.688) 18.959 25.148 ( -4.652 4.743 4.256) 7.890 25.360 ( 13.982 4.584 -12.487) 19.298 26.473 ( -23.712 -2.090 1.469) 23.849 27.457 ( 19.650 0.206 6.229) 20.615 27.542 ( -4.093 -0.768 -0.128) 4.166 28.054 ( -0.764 0.073 1.845) 1.998 28.747 ( 0.422 -3.000 0.216) 3.037 30.259 ( -12.093 -2.886 3.885) 13.025 30.320 ( -0.042 -2.892 0.843) 3.012 30.668 ( -1.419 -2.019 2.912) 3.817 32.529 ( 29.099 1.105 -0.520) 29.125 34.767 ( -9.602 -1.156 -1.699) 9.819 35.964 ( -3.146 -0.356 -2.524) 4.049 44.701 ( 2.037 0.331 0.949) 2.272 ======================= Grid point 410 (154/186) ======================= q-point: ( 0.27 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.712 ( 8.720 -7.256 -0.310) 11.348 7.505 ( 25.535 -16.091 -9.722) 31.709 7.899 ( -1.162 4.447 -3.048) 5.515 8.481 ( 32.179 -8.108 -5.018) 33.562 9.190 ( 14.949 -2.416 -10.969) 18.698 10.304 ( 17.086 29.757 0.979) 34.327 11.027 ( 78.953 -22.490 -13.765) 83.240 12.042 ( 8.619 -10.107 -5.144) 14.245 12.232 ( 19.362 8.482 -11.305) 23.972 12.971 ( -13.330 4.926 -5.259) 15.153 14.107 ( -2.133 8.329 2.345) 8.912 15.211 ( -13.842 -7.741 22.397) 27.444 15.622 ( -7.246 -13.012 -1.897) 15.014 16.138 ( -9.567 -3.294 10.089) 14.288 16.704 ( -25.104 -3.043 -28.529) 38.123 17.117 ( -3.792 -9.955 4.228) 11.461 17.570 ( -2.499 1.610 -7.715) 8.268 18.103 ( -13.152 2.174 -5.093) 14.270 18.783 ( -2.437 -3.676 3.378) 5.555 19.088 ( -3.494 -6.352 6.242) 9.566 19.334 ( -9.042 -5.707 5.281) 11.925 19.803 ( 0.093 -3.323 -5.558) 6.476 20.187 ( -14.228 -5.672 -0.592) 15.328 20.747 ( -0.869 25.012 -1.905) 25.100 20.995 ( -8.348 20.138 -6.152) 22.651 21.533 ( -19.790 4.582 15.527) 25.568 21.801 ( 10.513 2.471 10.079) 14.772 22.249 ( 4.805 4.831 -7.389) 10.051 22.707 ( -5.207 -7.456 5.121) 10.437 23.124 ( -12.283 -2.842 -0.848) 12.636 23.274 ( -0.559 3.073 -1.170) 3.335 23.452 ( 5.599 4.719 9.194) 11.754 24.434 ( -3.568 -1.700 13.143) 13.724 24.909 ( -6.084 0.510 0.133) 6.107 25.203 ( 12.086 -4.661 -3.307) 13.369 25.627 ( 12.436 3.741 -13.591) 18.798 26.004 ( -22.012 1.392 -0.298) 22.058 27.419 ( -4.177 -0.728 -0.466) 4.266 27.910 ( 16.990 0.602 9.766) 19.606 28.112 ( 10.022 0.169 -0.994) 10.072 28.710 ( -3.521 -2.036 -2.175) 4.612 29.989 ( -11.549 -4.067 4.917) 13.194 30.430 ( 6.860 -3.611 1.861) 7.972 30.644 ( -1.069 -1.990 2.540) 3.399 33.035 ( 22.626 1.201 -1.228) 22.691 34.552 ( -12.191 -0.729 -3.102) 12.600 35.901 ( -3.137 -0.567 -1.530) 3.536 44.744 ( 2.219 0.253 1.572) 2.731 ======================= Grid point 411 (155/186) ======================= q-point: ( 0.36 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.885 ( 9.473 2.031 -7.622) 12.328 7.725 ( -2.172 0.187 -3.451) 4.082 7.929 ( 5.925 1.894 -5.471) 8.284 9.074 ( 20.923 -3.263 -1.966) 21.267 9.495 ( 22.944 -2.023 -12.542) 26.226 10.527 ( 5.035 15.595 6.699) 17.704 11.947 ( 12.754 -31.015 -18.741) 38.416 12.249 ( 14.012 -2.572 2.349) 14.438 12.707 ( -6.143 3.614 -4.373) 8.362 13.224 ( 65.710 0.976 -12.899) 66.971 14.085 ( 2.344 11.249 2.733) 11.811 14.937 ( -14.090 -3.871 24.212) 28.279 15.553 ( -3.057 -12.238 -4.377) 13.352 15.921 ( -10.095 -5.180 -1.261) 11.416 16.299 ( -8.947 4.618 -13.766) 17.055 17.098 ( 0.450 -16.807 -1.296) 16.863 17.536 ( -0.639 -4.408 -14.439) 15.110 17.881 ( -10.060 9.227 2.550) 13.887 18.758 ( -0.513 -3.305 2.366) 4.097 19.012 ( -6.175 -12.433 4.336) 14.543 19.149 ( -7.927 -3.471 2.238) 8.939 19.718 ( -18.238 -2.536 -3.928) 18.828 19.989 ( 0.003 -2.944 -1.778) 3.439 20.652 ( -13.087 18.974 -4.000) 23.394 20.759 ( -14.492 16.003 9.071) 23.418 21.095 ( -17.123 9.829 -2.031) 19.848 21.986 ( 8.472 -0.433 6.650) 10.779 22.381 ( 7.691 1.749 -2.404) 8.245 22.561 ( -6.435 -2.048 -4.662) 8.205 22.942 ( -6.858 1.182 2.372) 7.352 23.205 ( -4.408 -0.059 -6.420) 7.788 23.682 ( 13.689 5.581 19.962) 24.840 24.347 ( -5.352 -1.648 21.353) 22.076 24.752 ( -8.119 4.626 4.152) 10.225 25.432 ( 9.874 -6.883 -8.143) 14.532 25.640 ( -11.881 0.598 -1.036) 11.941 25.857 ( 7.711 3.398 -12.014) 14.675 27.355 ( -2.523 2.029 -0.802) 3.336 28.069 ( 4.837 -1.430 7.536) 9.068 28.387 ( 7.863 -0.643 6.240) 10.059 28.684 ( 4.828 0.767 -8.416) 9.733 29.813 ( -6.814 -4.762 5.141) 9.775 30.560 ( 5.749 -4.432 2.957) 7.838 30.630 ( -0.024 -1.905 2.257) 2.954 33.395 ( 14.292 1.148 -1.683) 14.436 34.318 ( -11.149 -0.221 -4.523) 12.033 35.849 ( -2.151 -0.748 -0.702) 2.383 44.783 ( 1.695 0.181 2.142) 2.737 ======================= Grid point 412 (156/186) ======================= q-point: ( 0.45 -0.40 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.054 ( 6.217 11.248 -12.223) 17.736 7.626 ( -4.752 -2.104 -3.089) 6.046 8.019 ( 2.409 3.687 -4.276) 6.138 9.259 ( 2.988 8.864 -4.727) 10.481 10.010 ( 22.117 1.378 -10.693) 24.605 10.494 ( -7.094 -0.484 9.985) 12.257 12.039 ( 1.260 -37.588 -21.975) 43.558 12.461 ( 4.457 -1.003 0.342) 4.582 12.629 ( 0.602 4.746 -4.504) 6.570 13.873 ( 3.671 4.318 5.030) 7.577 14.482 ( 26.835 5.508 -1.422) 27.431 14.714 ( -6.969 -0.293 13.581) 15.268 15.274 ( -17.448 -0.357 -11.397) 20.844 15.931 ( 1.669 -1.953 8.140) 8.536 16.591 ( 36.344 -9.636 -4.949) 37.924 17.086 ( -4.131 -22.167 -5.384) 23.183 17.567 ( 4.903 -14.529 -22.152) 26.941 17.713 ( -7.266 22.243 11.025) 25.867 18.534 ( -29.988 5.411 -6.900) 31.244 18.864 ( -1.791 -19.606 2.070) 19.796 19.039 ( -3.699 -10.807 5.570) 12.708 19.348 ( -8.496 -6.512 0.392) 10.712 20.046 ( 1.525 13.489 0.990) 13.611 20.348 ( -7.339 3.116 6.564) 10.328 20.592 ( -5.762 16.808 -4.902) 18.432 20.919 ( -3.592 18.769 -6.195) 20.089 22.105 ( 3.101 -3.559 0.850) 4.797 22.458 ( -0.181 1.965 -7.542) 7.796 22.567 ( 5.738 0.629 9.154) 10.822 22.826 ( -4.958 4.157 -2.212) 6.837 23.130 ( -2.594 -2.687 -6.874) 7.823 23.912 ( 8.425 5.595 14.357) 17.562 24.237 ( -5.079 -2.011 32.032) 32.494 24.634 ( -3.405 6.512 5.760) 9.337 25.486 ( -3.822 -0.193 -1.572) 4.137 25.564 ( 3.481 -6.830 -9.254) 12.017 25.967 ( 3.036 2.504 -10.545) 11.256 27.321 ( -0.891 3.841 -0.809) 4.025 28.154 ( 3.354 -1.880 8.872) 9.669 28.378 ( -3.188 -2.335 2.364) 4.605 28.848 ( 6.440 2.923 -6.762) 9.784 29.722 ( -2.484 -4.995 5.221) 7.640 30.604 ( 0.067 -2.614 2.414) 3.559 30.673 ( 2.521 -4.302 3.380) 6.024 33.584 ( 5.042 1.041 -1.895) 5.486 34.153 ( -4.866 0.193 -5.485) 7.335 35.820 ( -0.738 -0.845 -0.262) 1.152 44.806 ( 0.632 0.138 2.479) 2.562 ======================= Grid point 418 (157/186) ======================= q-point: ( 0.00 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.498 ( 0.000 -55.082 -0.000) 55.082 4.973 ( 0.000 -61.385 -0.000) 61.385 6.818 ( 0.000 -37.680 -0.000) 37.680 7.937 ( 0.000 5.627 0.000) 5.627 8.089 ( 0.000 8.238 0.000) 8.238 9.133 ( 0.000 -32.033 -0.000) 32.033 9.947 ( 0.000 53.575 0.000) 53.575 11.717 ( 0.000 40.731 0.000) 40.731 11.996 ( 0.000 -9.643 -0.000) 9.643 13.669 ( 0.000 11.952 0.000) 11.952 14.195 ( 0.000 4.807 0.000) 4.807 15.797 ( 0.000 -12.135 -0.000) 12.135 15.923 ( 0.000 -9.872 -0.000) 9.872 16.432 ( 0.000 -11.797 -0.000) 11.797 17.066 ( 0.000 -23.153 -0.000) 23.153 17.480 ( 0.000 -2.285 -0.000) 2.285 17.662 ( 0.000 -2.605 -0.000) 2.605 18.807 ( 0.000 -3.817 -0.000) 3.817 18.908 ( 0.000 11.907 0.000) 11.907 19.059 ( 0.000 -4.648 -0.000) 4.648 19.653 ( 0.000 -2.122 -0.000) 2.122 20.387 ( 0.000 -12.261 -0.000) 12.261 20.677 ( 0.000 21.903 0.000) 21.903 21.117 ( 0.000 10.197 0.000) 10.197 21.250 ( 0.000 -14.160 -0.000) 14.160 21.495 ( 0.000 0.455 0.000) 0.455 21.798 ( 0.000 30.266 0.000) 30.266 22.348 ( 0.000 15.539 0.000) 15.539 22.511 ( 0.000 12.629 0.000) 12.629 22.875 ( 0.000 -2.455 -0.000) 2.455 23.868 ( 0.000 -5.640 -0.000) 5.640 23.937 ( 0.000 1.918 0.000) 1.918 24.090 ( 0.000 -10.407 -0.000) 10.407 24.334 ( 0.000 2.505 0.000) 2.505 25.036 ( 0.000 0.645 0.000) 0.645 25.389 ( 0.000 6.981 0.000) 6.981 26.816 ( 0.000 -12.905 -0.000) 12.905 26.993 ( 0.000 0.291 0.000) 0.291 27.884 ( 0.000 6.008 0.000) 6.008 28.213 ( 0.000 -8.398 -0.000) 8.398 28.558 ( 0.000 -1.927 -0.000) 1.927 30.161 ( 0.000 -2.836 -0.000) 2.836 30.646 ( 0.000 -4.317 -0.000) 4.317 31.174 ( 0.000 3.375 0.000) 3.375 31.444 ( 0.000 -1.818 -0.000) 1.818 34.939 ( 0.000 -1.995 -0.000) 1.995 36.000 ( 0.000 -0.132 -0.000) 0.132 44.665 ( 0.000 0.512 0.000) 0.512 ======================= Grid point 419 (158/186) ======================= q-point: ( 0.09 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.232 ( 59.108 -49.924 -0.000) 77.371 5.339 ( 40.366 -54.850 -0.000) 68.103 6.892 ( 11.107 -31.088 -0.000) 33.013 7.961 ( 1.816 4.283 0.000) 4.652 8.216 ( 12.487 12.508 0.000) 17.674 9.183 ( 5.803 -32.083 -0.000) 32.604 10.071 ( 12.211 51.352 0.000) 52.784 11.769 ( 4.647 33.442 0.000) 33.763 11.998 ( 0.675 -5.317 -0.000) 5.359 13.566 ( -10.205 10.724 0.000) 14.804 14.201 ( 0.526 5.189 0.000) 5.216 15.709 ( -9.546 -13.137 -0.000) 16.239 15.863 ( -4.967 -10.090 -0.000) 11.246 16.376 ( -4.035 -11.381 -0.000) 12.075 16.999 ( -7.481 -21.402 -0.000) 22.672 17.487 ( -1.341 1.452 0.000) 1.977 17.637 ( -3.014 -2.184 -0.000) 3.722 18.617 ( -17.777 -0.607 -0.000) 17.787 18.879 ( -0.028 1.946 0.000) 1.946 19.096 ( 1.976 -3.616 -0.000) 4.121 19.608 ( -4.153 -1.940 -0.000) 4.584 20.148 ( -19.840 -10.040 -0.000) 22.236 20.613 ( -8.786 9.084 0.000) 12.638 21.109 ( -5.395 5.168 0.000) 7.470 21.203 ( 3.273 12.418 0.000) 12.842 21.570 ( 6.546 4.587 0.000) 7.993 21.912 ( 8.125 20.621 0.000) 22.164 22.428 ( -5.462 10.396 0.000) 11.744 22.566 ( 17.086 9.611 0.000) 19.604 22.903 ( 2.102 -1.817 -0.000) 2.778 23.664 ( -14.972 -2.635 -0.000) 15.202 23.753 ( -11.139 -4.340 -0.000) 11.955 24.358 ( 14.788 -2.655 -0.000) 15.024 24.426 ( 8.030 -3.414 -0.000) 8.726 25.085 ( 5.614 1.920 0.000) 5.933 25.356 ( -3.250 6.837 0.000) 7.570 26.738 ( -8.778 -10.878 -0.000) 13.978 27.138 ( 14.711 0.633 0.000) 14.724 27.755 ( -12.428 2.350 0.000) 12.649 28.124 ( -4.768 -2.956 -0.000) 5.610 28.649 ( 5.583 -3.901 -0.000) 6.811 30.191 ( 3.058 -3.020 -0.000) 4.298 30.594 ( -8.930 -4.270 -0.000) 9.898 30.786 ( -16.609 0.099 0.000) 16.609 31.945 ( 31.567 0.872 0.000) 31.579 34.886 ( -5.348 -1.856 -0.000) 5.661 35.982 ( -1.772 -0.216 -0.000) 1.785 44.678 ( 1.342 0.483 0.000) 1.427 ======================= Grid point 420 (159/186) ======================= q-point: ( 0.18 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.169 ( 49.314 -42.134 -0.000) 64.863 6.274 ( 27.709 -39.387 -0.000) 48.157 7.550 ( 52.118 -13.023 -0.000) 53.721 8.009 ( 5.183 5.974 0.000) 7.909 8.570 ( 26.520 11.923 0.000) 29.077 9.429 ( 24.401 -35.337 -0.000) 42.943 10.376 ( 17.558 42.352 0.000) 45.848 11.866 ( 5.312 13.133 0.000) 14.167 12.055 ( 5.796 10.357 0.000) 11.869 13.299 ( -16.433 8.074 0.000) 18.309 14.211 ( 0.393 6.151 0.000) 6.163 15.475 ( -12.245 -15.522 -0.000) 19.770 15.750 ( -7.027 -8.605 -0.000) 11.109 16.312 ( -2.491 -7.293 -0.000) 7.707 16.738 ( -20.512 -14.630 -0.000) 25.195 17.380 ( -9.377 2.496 0.000) 9.703 17.525 ( -8.375 -4.337 -0.000) 9.431 18.282 ( -13.465 -4.375 -0.000) 14.158 18.866 ( -2.248 3.492 0.000) 4.153 19.138 ( 1.613 -3.872 -0.000) 4.195 19.528 ( -3.664 -5.838 -0.000) 6.893 19.754 ( -17.694 -7.632 -0.000) 19.270 20.354 ( -15.693 -7.015 -0.000) 17.190 21.055 ( -0.985 23.185 0.000) 23.206 21.239 ( -0.511 19.121 0.000) 19.127 21.742 ( 10.677 3.559 0.000) 11.254 22.017 ( -0.134 13.313 0.000) 13.314 22.253 ( -9.602 9.460 0.000) 13.479 22.887 ( -2.510 -4.739 -0.000) 5.362 22.948 ( 13.532 -0.522 -0.000) 13.542 23.444 ( -6.874 -0.858 -0.000) 6.927 23.510 ( -10.146 0.350 0.000) 10.152 24.536 ( 4.679 -2.030 -0.000) 5.100 24.634 ( 11.142 -6.925 -0.000) 13.119 25.266 ( 12.412 3.029 0.000) 12.776 25.276 ( -4.239 6.851 0.000) 8.056 26.451 ( -20.501 -4.064 -0.000) 20.900 27.516 ( -5.613 -1.676 -0.000) 5.858 27.534 ( 21.056 1.200 0.000) 21.090 28.068 ( -1.369 0.058 0.000) 1.370 28.708 ( 0.106 -4.201 -0.000) 4.202 30.257 ( -8.365 -3.596 -0.000) 9.105 30.290 ( -3.711 -3.576 -0.000) 5.153 30.669 ( -1.855 -2.453 -0.000) 3.075 32.539 ( 28.825 1.422 0.000) 28.860 34.736 ( -9.936 -1.464 -0.000) 10.044 35.936 ( -2.824 -0.434 -0.000) 2.858 44.714 ( 2.263 0.408 0.000) 2.299 ======================= Grid point 421 (160/186) ======================= q-point: ( 0.27 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.560 ( 12.121 -19.473 -0.000) 22.937 7.155 ( 44.321 -26.011 -0.000) 51.390 7.906 ( -1.548 2.407 0.000) 2.861 8.422 ( 26.719 1.799 0.000) 26.779 9.117 ( 20.015 8.946 0.000) 21.924 10.432 ( 69.476 -44.714 -0.000) 82.622 10.672 ( 11.618 22.858 0.000) 25.641 12.036 ( 15.065 6.478 0.000) 16.399 12.253 ( 18.091 19.269 0.000) 26.431 12.968 ( -16.459 5.295 0.000) 17.290 14.217 ( 0.354 8.315 0.000) 8.323 15.300 ( -4.795 -16.563 -0.000) 17.244 15.579 ( -10.679 -4.817 -0.000) 11.715 16.208 ( -31.405 -6.554 -0.000) 32.081 16.283 ( -1.190 -1.680 -0.000) 2.059 17.163 ( -11.919 -3.258 -0.000) 12.356 17.350 ( -8.721 -11.888 -0.000) 14.744 18.124 ( -3.890 -0.506 -0.000) 3.923 18.799 ( -4.038 2.494 0.000) 4.746 19.117 ( -3.292 -0.428 -0.000) 3.320 19.311 ( -15.962 -9.765 -0.000) 18.712 19.689 ( 7.740 -3.369 -0.000) 8.441 20.049 ( -15.954 -10.939 -0.000) 19.344 21.015 ( -4.497 24.596 0.000) 25.003 21.200 ( -2.810 22.901 0.000) 23.072 21.713 ( -28.639 3.741 0.000) 28.882 21.944 ( 8.431 1.953 0.000) 8.655 22.230 ( 5.053 8.931 0.000) 10.261 22.681 ( -13.843 -8.839 -0.000) 16.424 23.042 ( -3.138 -6.650 -0.000) 7.353 23.286 ( -6.736 4.639 0.000) 8.179 23.627 ( 15.693 6.214 0.000) 16.878 24.585 ( 0.999 -5.917 -0.000) 6.001 24.780 ( 2.402 -3.611 -0.000) 4.337 25.241 ( 2.222 7.523 0.000) 7.844 25.524 ( 13.012 1.570 0.000) 13.107 26.015 ( -21.928 1.100 0.000) 21.956 27.406 ( -2.977 -0.822 -0.000) 3.089 28.044 ( 21.526 1.037 0.000) 21.551 28.071 ( 6.623 0.154 0.000) 6.624 28.657 ( -5.016 -3.351 -0.000) 6.032 29.982 ( -11.983 -5.021 -0.000) 12.993 30.401 ( 6.831 -4.522 -0.000) 8.192 30.642 ( -1.153 -2.486 -0.000) 2.740 33.039 ( 22.344 1.512 0.000) 22.395 34.513 ( -12.558 -0.888 -0.000) 12.589 35.880 ( -2.817 -0.701 -0.000) 2.903 44.762 ( 2.463 0.309 0.000) 2.483 ======================= Grid point 422 (161/186) ======================= q-point: ( 0.36 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.817 ( 14.507 -2.978 -0.000) 14.810 7.689 ( 4.502 -0.516 -0.000) 4.532 7.879 ( 5.521 -0.284 -0.000) 5.528 9.011 ( 30.998 -7.153 -0.000) 31.812 9.419 ( 16.590 8.884 0.000) 18.819 10.740 ( -2.836 5.115 0.000) 5.848 11.252 ( 10.116 -42.458 -0.000) 43.646 12.382 ( 13.490 11.946 0.000) 18.019 12.708 ( -4.557 9.806 0.000) 10.813 13.150 ( 66.188 2.409 0.000) 66.231 14.242 ( 3.608 11.536 0.000) 12.087 15.266 ( -4.658 -12.656 -0.000) 13.486 15.353 ( -11.714 -0.686 -0.000) 11.734 15.654 ( -15.525 -7.982 -0.000) 17.456 16.302 ( 3.537 3.706 0.000) 5.123 16.948 ( -9.656 -11.422 -0.000) 14.957 17.203 ( -6.198 -16.731 -0.000) 17.842 18.090 ( -0.327 8.336 0.000) 8.342 18.723 ( -3.788 -5.456 -0.000) 6.642 18.999 ( -11.771 -1.962 -0.000) 11.933 19.078 ( -5.904 -6.334 -0.000) 8.659 19.645 ( -23.646 -5.116 -0.000) 24.193 19.921 ( 11.575 -2.116 -0.000) 11.766 20.802 ( -20.369 15.268 0.000) 25.456 21.085 ( -27.487 5.040 0.000) 27.945 21.147 ( -2.408 23.998 0.000) 24.119 22.048 ( 2.389 -0.899 -0.000) 2.553 22.357 ( 5.349 0.005 0.000) 5.349 22.516 ( 0.234 0.590 0.000) 0.635 22.955 ( -4.512 -5.609 -0.000) 7.198 23.163 ( -7.056 5.527 0.000) 8.963 23.923 ( 13.100 5.838 0.000) 14.342 24.589 ( -0.412 -7.059 -0.000) 7.071 24.743 ( -4.229 1.243 0.000) 4.408 25.347 ( 6.776 5.944 0.000) 9.014 25.643 ( -11.603 0.876 0.000) 11.636 25.762 ( 6.876 0.649 0.000) 6.907 27.374 ( -0.854 2.616 0.000) 2.752 28.114 ( 3.884 -2.216 -0.000) 4.472 28.516 ( 7.645 0.134 0.000) 7.646 28.540 ( 5.499 -0.075 -0.000) 5.499 29.799 ( -7.059 -5.952 -0.000) 9.233 30.530 ( 5.880 -5.577 -0.000) 8.104 30.626 ( -0.322 -2.423 -0.000) 2.445 33.394 ( 14.067 1.438 0.000) 14.140 34.273 ( -11.418 -0.242 -0.000) 11.420 35.833 ( -1.935 -0.918 -0.000) 2.142 44.805 ( 1.880 0.219 0.000) 1.893 ======================= Grid point 423 (162/186) ======================= q-point: ( 0.45 -0.30 0.30) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 305 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.088 ( 11.113 13.196 0.000) 17.252 7.571 ( -8.151 -1.870 -0.000) 8.362 8.011 ( 3.718 2.303 0.000) 4.374 9.332 ( 4.906 8.220 0.000) 9.572 9.937 ( 29.212 3.903 0.000) 29.471 10.556 ( -15.189 -7.787 -0.000) 17.069 11.258 ( -2.568 -49.427 -0.000) 49.494 12.429 ( -2.360 -4.510 -0.000) 5.090 12.815 ( 7.941 28.804 0.000) 29.879 13.968 ( 10.743 4.223 0.000) 11.544 14.504 ( 19.415 3.562 0.000) 19.739 14.997 ( -12.778 -1.705 -0.000) 12.891 15.120 ( -9.071 10.715 0.000) 14.039 15.839 ( 15.473 -21.120 -0.000) 26.181 16.530 ( 22.931 -1.799 -0.000) 23.001 16.804 ( -5.456 -17.259 -0.000) 18.100 17.124 ( -1.443 -18.862 -0.000) 18.917 18.090 ( -0.380 16.010 0.000) 16.015 18.532 ( -34.350 7.165 0.000) 35.090 18.661 ( -2.821 -19.159 -0.000) 19.366 18.976 ( -3.353 -6.384 -0.000) 7.210 19.284 ( -6.142 -5.617 -0.000) 8.324 20.167 ( 11.176 5.183 0.000) 12.320 20.424 ( -10.971 3.982 0.000) 11.671 20.722 ( -12.835 14.194 0.000) 19.137 21.114 ( -0.897 24.212 0.000) 24.228 22.066 ( 0.172 -4.369 -0.000) 4.372 22.395 ( 0.628 -1.312 -0.000) 1.455 22.671 ( 10.910 2.776 0.000) 11.258 22.869 ( -5.447 0.431 0.000) 5.464 23.017 ( -6.120 -0.135 -0.000) 6.122 24.104 ( 5.038 6.630 0.000) 8.327 24.577 ( -0.609 -8.245 -0.000) 8.267 24.674 ( -2.084 5.449 0.000) 5.834 25.447 ( 2.439 4.293 0.000) 4.938 25.475 ( -3.930 0.542 0.000) 3.967 25.876 ( 3.228 -0.529 -0.000) 3.271 27.364 ( -0.218 5.069 0.000) 5.074 28.209 ( 5.344 -2.721 -0.000) 5.997 28.379 ( -6.858 -2.992 -0.000) 7.482 28.815 ( 7.923 3.520 0.000) 8.670 29.705 ( -2.527 -6.315 -0.000) 6.802 30.591 ( 0.551 -3.824 -0.000) 3.864 30.648 ( 1.954 -4.955 -0.000) 5.327 33.580 ( 4.947 1.324 0.000) 5.121 34.105 ( -4.959 0.262 0.000) 4.966 35.807 ( -0.665 -1.031 -0.000) 1.227 44.831 ( 0.701 0.165 0.000) 0.720 ======================= Grid point 495 (163/186) ======================= q-point: ( 0.00 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.891 ( 0.000 -0.000 27.518) 27.518 6.746 ( 0.000 0.000 -37.737) 37.737 7.704 ( 0.000 0.000 -4.224) 4.224 8.296 ( 0.000 0.000 -58.521) 58.521 8.346 ( 0.000 0.000 -14.927) 14.927 9.286 ( 0.000 0.000 -36.188) 36.188 10.352 ( 0.000 -0.000 14.197) 14.197 11.037 ( 0.000 0.000 -27.556) 27.556 12.190 ( 0.000 -0.000 3.869) 3.869 13.133 ( 0.000 -0.000 29.211) 29.211 14.027 ( 0.000 0.000 -2.001) 2.001 16.027 ( 0.000 0.000 -19.531) 19.531 16.192 ( 0.000 -0.000 2.756) 2.756 16.620 ( 0.000 -0.000 33.177) 33.177 16.738 ( 0.000 0.000 -3.835) 3.835 18.006 ( 0.000 0.000 -19.286) 19.286 18.526 ( 0.000 0.000 -17.439) 17.439 18.602 ( 0.000 -0.000 29.935) 29.935 18.867 ( 0.000 0.000 -7.757) 7.757 19.184 ( 0.000 0.000 -2.397) 2.397 19.424 ( 0.000 -0.000 54.466) 54.466 19.638 ( 0.000 -0.000 4.819) 4.819 19.670 ( 0.000 -0.000 5.591) 5.591 20.845 ( 0.000 -0.000 16.853) 16.853 20.864 ( 0.000 0.000 -10.032) 10.032 20.962 ( 0.000 0.000 -2.667) 2.667 22.157 ( 0.000 0.000 -16.719) 16.719 22.284 ( 0.000 0.000 -8.135) 8.135 22.658 ( 0.000 0.000 -12.050) 12.050 22.849 ( 0.000 -0.000 9.161) 9.161 23.825 ( 0.000 -0.000 7.229) 7.229 23.946 ( 0.000 0.000 -3.639) 3.639 24.591 ( 0.000 0.000 -6.872) 6.872 24.675 ( 0.000 0.000 -21.260) 21.260 24.975 ( 0.000 -0.000 0.802) 0.802 25.096 ( 0.000 -0.000 6.065) 6.065 26.843 ( 0.000 -0.000 5.227) 5.227 27.048 ( 0.000 -0.000 6.639) 6.639 27.699 ( 0.000 0.000 -0.466) 0.466 28.112 ( 0.000 -0.000 15.530) 15.530 28.650 ( 0.000 0.000 -1.943) 1.943 30.228 ( 0.000 -0.000 0.134) 0.134 30.649 ( 0.000 -0.000 5.958) 5.958 31.120 ( 0.000 0.000 -1.955) 1.955 31.380 ( 0.000 -0.000 5.261) 5.261 34.990 ( 0.000 -0.000 0.028) 0.028 36.123 ( 0.000 0.000 -5.620) 5.620 44.644 ( 0.000 -0.000 0.375) 0.375 ======================= Grid point 497 (164/186) ======================= q-point: ( 0.09 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.027 ( 13.229 -0.000 24.975) 28.262 7.095 ( 31.195 0.000 -27.476) 41.570 7.725 ( 1.963 0.000 -3.427) 3.950 8.204 ( 4.355 0.000 -27.933) 28.270 8.860 ( 40.726 0.000 -44.477) 60.306 9.233 ( -4.774 0.000 -29.543) 29.926 10.156 ( -12.564 0.000 -4.046) 13.199 11.397 ( 28.660 0.000 -14.548) 32.141 12.196 ( 0.805 -0.000 2.887) 2.998 13.079 ( -4.968 -0.000 26.357) 26.821 14.014 ( -1.362 0.000 -1.746) 2.214 15.860 ( -14.231 0.000 -11.595) 18.356 16.202 ( -1.521 0.000 -3.559) 3.870 16.393 ( -15.128 -0.000 21.737) 26.483 16.896 ( 8.216 -0.000 6.908) 10.734 17.986 ( -1.738 0.000 -18.105) 18.188 18.352 ( -15.100 0.000 -13.855) 20.493 18.642 ( 1.496 -0.000 20.486) 20.540 18.778 ( -8.236 0.000 -11.211) 13.911 19.174 ( -1.408 0.000 -2.099) 2.527 19.475 ( 4.961 -0.000 46.551) 46.815 19.617 ( -0.565 -0.000 6.977) 7.000 19.781 ( 8.161 -0.000 7.000) 10.752 20.630 ( -12.155 0.000 -11.262) 16.571 20.892 ( 4.496 -0.000 22.839) 23.278 21.212 ( 13.940 0.000 -1.580) 14.029 21.871 ( -24.908 0.000 -17.350) 30.355 22.259 ( -2.088 0.000 -7.473) 7.759 22.685 ( 1.431 0.000 -4.525) 4.746 22.865 ( 1.410 -0.000 7.355) 7.489 23.752 ( -7.200 -0.000 7.813) 10.624 23.817 ( -10.413 0.000 -5.454) 11.755 24.641 ( -4.771 0.000 -11.848) 12.773 24.768 ( 14.873 0.000 -4.310) 15.485 25.059 ( -3.619 -0.000 6.194) 7.174 25.182 ( 19.196 0.000 -12.297) 22.797 26.858 ( -11.559 -0.000 5.832) 12.947 26.991 ( 7.204 -0.000 7.658) 10.514 27.663 ( -3.558 0.000 -0.626) 3.612 28.032 ( -5.314 -0.000 10.581) 11.841 28.719 ( 4.972 -0.000 0.512) 4.999 30.252 ( 2.345 -0.000 0.678) 2.441 30.643 ( -0.566 -0.000 5.807) 5.835 30.662 ( -25.601 -0.000 3.450) 25.832 31.909 ( 32.829 -0.000 0.451) 32.832 34.947 ( -4.415 0.000 -0.523) 4.445 36.098 ( -2.576 0.000 -5.187) 5.791 44.652 ( 0.813 -0.000 0.669) 1.052 ======================= Grid point 499 (165/186) ======================= q-point: ( 0.18 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.355 ( 19.111 -0.000 16.337) 25.142 7.643 ( 19.017 0.000 -12.237) 22.614 7.767 ( 2.010 0.000 -1.729) 2.651 8.562 ( 33.145 0.000 -22.201) 39.893 9.149 ( -2.627 0.000 -17.060) 17.261 9.925 ( 67.964 0.000 -38.176) 77.952 9.981 ( -5.287 0.000 -17.498) 18.279 11.980 ( 29.503 0.000 -7.685) 30.488 12.234 ( 3.514 -0.000 0.831) 3.611 12.980 ( -3.677 -0.000 14.563) 15.021 13.972 ( -3.091 0.000 -0.826) 3.200 15.528 ( -19.421 0.000 -4.979) 20.049 16.097 ( -14.672 -0.000 20.678) 25.355 16.112 ( -7.219 0.000 -5.778) 9.247 17.012 ( 3.619 -0.000 6.884) 7.777 17.955 ( -25.909 0.000 -22.277) 34.169 17.958 ( -0.501 0.000 -15.849) 15.857 18.592 ( -10.032 0.000 -16.684) 19.468 18.643 ( -1.603 -0.000 13.529) 13.624 19.136 ( -1.844 -0.000 0.576) 1.932 19.586 ( 5.572 -0.000 29.437) 29.960 19.593 ( -2.565 -0.000 8.359) 8.744 19.921 ( 4.656 -0.000 7.028) 8.430 20.468 ( -3.868 0.000 -12.669) 13.247 20.987 ( 3.521 -0.000 33.104) 33.290 21.349 ( -25.859 0.000 -12.766) 28.838 21.443 ( 9.735 -0.000 3.519) 10.352 22.233 ( 0.280 0.000 -6.728) 6.733 22.709 ( 1.646 -0.000 5.760) 5.991 22.894 ( 1.287 -0.000 3.478) 3.708 23.542 ( -14.879 -0.000 6.771) 16.347 23.617 ( -9.382 0.000 -6.797) 11.586 24.495 ( -9.757 0.000 -2.383) 10.044 24.906 ( -6.773 -0.000 7.171) 9.864 25.135 ( 16.578 0.000 -1.469) 16.643 25.580 ( 19.182 0.000 -22.783) 29.783 26.448 ( -25.714 -0.000 3.777) 25.990 27.298 ( 20.651 -0.000 10.956) 23.377 27.569 ( -5.835 0.000 -1.038) 5.926 27.986 ( 1.280 -0.000 5.402) 5.551 28.785 ( 1.360 -0.000 0.673) 1.518 30.209 ( -15.889 -0.000 6.841) 17.299 30.346 ( 2.199 -0.000 1.644) 2.745 30.628 ( -0.880 -0.000 5.403) 5.474 32.526 ( 29.931 0.000 -1.284) 29.958 34.822 ( -8.308 0.000 -2.108) 8.571 36.030 ( -4.148 0.000 -3.993) 5.758 44.674 ( 1.370 -0.000 1.456) 1.999 ======================= Grid point 501 (166/186) ======================= q-point: ( 0.27 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.714 ( 16.967 -0.000 1.787) 17.061 7.795 ( 0.689 0.000 -1.400) 1.561 7.871 ( 7.445 0.000 -7.867) 10.832 9.156 ( 3.201 0.000 -8.975) 9.529 9.304 ( 38.069 0.000 -18.417) 42.290 9.941 ( 0.968 0.000 -16.185) 16.214 11.336 ( 69.768 0.000 -9.913) 70.469 12.345 ( 7.725 -0.000 4.922) 9.160 12.490 ( 22.301 0.000 -4.541) 22.759 13.044 ( 15.352 0.000 -18.063) 23.706 13.892 ( -5.147 -0.000 1.057) 5.254 15.128 ( -21.168 -0.000 2.404) 21.304 15.847 ( -10.708 -0.000 19.492) 22.239 15.964 ( -6.663 0.000 -6.413) 9.248 17.036 ( -0.996 -0.000 7.239) 7.308 17.360 ( -34.265 0.000 -29.239) 45.045 17.997 ( 5.134 0.000 -13.113) 14.082 18.415 ( -7.682 0.000 -22.119) 23.415 18.576 ( -5.234 -0.000 5.474) 7.574 19.116 ( -0.398 -0.000 2.950) 2.977 19.510 ( -5.629 -0.000 8.876) 10.511 19.670 ( 2.937 -0.000 16.533) 16.792 19.944 ( -1.591 0.000 -2.617) 3.062 20.438 ( -1.765 0.000 -6.722) 6.950 20.828 ( -20.990 -0.000 8.688) 22.717 21.047 ( -6.263 -0.000 16.269) 17.433 21.619 ( 9.888 -0.000 8.673) 13.153 22.281 ( 4.154 0.000 -4.882) 6.410 22.777 ( 5.762 -0.000 18.086) 18.982 22.907 ( 0.025 0.000 -0.966) 0.967 23.183 ( -20.451 -0.000 3.190) 20.698 23.465 ( -6.380 0.000 -6.726) 9.271 24.277 ( -12.481 -0.000 6.637) 14.136 24.721 ( -11.142 -0.000 9.463) 14.618 25.464 ( 15.960 0.000 -0.356) 15.963 25.870 ( 6.684 0.000 -19.560) 20.671 25.989 ( -15.609 0.000 -4.288) 16.188 27.450 ( -6.137 0.000 -1.530) 6.325 27.690 ( 16.453 -0.000 14.098) 21.666 28.096 ( 10.553 -0.000 2.200) 10.780 28.780 ( -1.068 0.000 -2.358) 2.589 29.933 ( -11.294 -0.000 8.705) 14.259 30.443 ( 6.041 -0.000 3.400) 6.932 30.611 ( -0.857 -0.000 4.875) 4.950 33.047 ( 23.288 0.000 -2.335) 23.405 34.634 ( -10.714 0.000 -4.420) 11.590 35.947 ( -4.162 0.000 -2.409) 4.809 44.702 ( 1.494 -0.000 2.487) 2.902 ======================= Grid point 503 (167/186) ======================= q-point: ( 0.36 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.000 ( 12.383 0.000 -12.677) 17.721 7.783 ( -2.076 0.000 -3.634) 4.185 7.982 ( 4.266 0.000 -6.762) 7.995 9.242 ( 4.604 0.000 -10.691) 11.640 9.924 ( 24.451 0.000 -15.190) 28.785 10.005 ( 4.936 0.000 -1.397) 5.130 12.271 ( 22.951 -0.000 3.831) 23.269 12.534 ( 14.267 -0.000 7.925) 16.320 12.830 ( 12.673 0.000 -3.077) 13.041 13.759 ( 52.049 0.000 -37.577) 64.195 13.781 ( -5.861 -0.000 3.948) 7.067 14.749 ( -15.824 -0.000 8.369) 17.901 15.687 ( -5.825 -0.000 18.179) 19.090 15.884 ( -4.058 0.000 -6.804) 7.922 16.742 ( -21.894 0.000 -28.893) 36.251 16.989 ( -3.180 -0.000 7.362) 8.020 18.154 ( 9.667 0.000 -8.945) 13.171 18.308 ( -2.574 0.000 -27.832) 27.951 18.442 ( -8.989 0.000 -1.380) 9.094 19.097 ( -2.715 -0.000 7.047) 7.552 19.395 ( -5.726 -0.000 7.300) 9.277 19.702 ( 0.585 -0.000 10.019) 10.037 19.878 ( -4.981 0.000 -7.560) 9.053 20.334 ( -30.721 -0.000 9.263) 32.087 20.353 ( -6.173 0.000 -4.575) 7.684 20.883 ( -8.770 -0.000 4.706) 9.953 21.860 ( 14.560 -0.000 10.438) 17.915 22.356 ( 2.502 -0.000 0.607) 2.575 22.746 ( -13.318 0.000 -3.210) 13.700 22.899 ( -0.629 0.000 -6.165) 6.197 23.034 ( 11.376 -0.000 31.380) 33.378 23.363 ( -4.371 0.000 -5.806) 7.268 24.014 ( -14.659 -0.000 15.647) 21.441 24.503 ( -10.474 -0.000 11.172) 15.314 25.652 ( -10.778 0.000 -1.043) 10.829 25.729 ( 10.933 -0.000 0.482) 10.943 26.077 ( 6.507 0.000 -22.970) 23.874 27.343 ( -4.556 0.000 -1.907) 4.939 27.893 ( 6.145 -0.000 14.300) 15.564 28.320 ( 8.137 -0.000 3.739) 8.955 28.803 ( 5.123 0.000 -7.204) 8.840 29.763 ( -6.554 -0.000 9.073) 11.193 30.562 ( 5.849 -0.000 5.469) 8.007 30.597 ( -0.586 -0.000 4.392) 4.431 33.418 ( 14.759 0.000 -2.958) 15.053 34.427 ( -9.960 0.000 -6.830) 12.077 35.877 ( -2.854 0.000 -1.010) 3.027 44.728 ( 1.143 -0.000 3.435) 3.621 ======================= Grid point 505 (168/186) ======================= q-point: ( 0.45 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 7.183 ( 5.678 0.000 -22.037) 22.756 7.729 ( -2.421 0.000 -4.516) 5.124 8.038 ( 1.509 0.000 -6.600) 6.770 9.307 ( 1.796 0.000 -17.123) 17.217 10.093 ( 2.976 -0.000 13.262) 13.592 10.235 ( 7.765 0.000 -13.689) 15.738 12.459 ( 3.270 -0.000 3.776) 4.996 12.832 ( 10.282 0.000 -7.375) 12.653 12.990 ( 4.061 0.000 -3.274) 5.216 13.690 ( -2.820 -0.000 6.934) 7.486 14.366 ( 1.263 -0.000 0.334) 1.306 14.807 ( 26.283 0.000 -18.248) 31.997 15.547 ( -26.500 0.000 -13.061) 29.544 15.614 ( -1.822 -0.000 17.214) 17.310 16.898 ( 29.411 0.000 -10.081) 31.090 16.938 ( -1.598 -0.000 7.380) 7.551 18.168 ( -19.706 0.000 -9.652) 21.943 18.221 ( -0.599 0.000 -22.944) 22.952 18.399 ( 7.022 0.000 -14.212) 15.852 18.974 ( -7.927 -0.000 16.896) 18.663 19.303 ( -3.123 -0.000 5.529) 6.350 19.693 ( -2.254 0.000 -1.333) 2.619 19.775 ( -4.107 0.000 -7.943) 8.942 19.816 ( -13.889 -0.000 7.714) 15.888 20.255 ( -2.891 0.000 -5.407) 6.131 20.769 ( -2.812 0.000 -2.899) 4.039 22.136 ( 12.114 -0.000 5.759) 13.413 22.343 ( -4.186 -0.000 11.053) 11.819 22.558 ( -4.889 0.000 -8.285) 9.620 22.893 ( 0.046 0.000 -11.638) 11.638 23.295 ( -2.208 0.000 -4.429) 4.949 23.324 ( 15.475 -0.000 40.837) 43.671 23.717 ( -14.993 -0.000 19.825) 24.855 24.350 ( -4.415 -0.000 12.050) 12.833 25.522 ( -3.079 0.000 -1.718) 3.526 25.875 ( 3.889 -0.000 0.788) 3.968 26.160 ( 2.124 0.000 -21.542) 21.647 27.282 ( -1.677 0.000 -2.077) 2.670 27.970 ( 2.014 -0.000 14.895) 15.031 28.378 ( 0.074 -0.000 2.286) 2.287 28.936 ( 5.307 0.000 -8.335) 9.881 29.673 ( -2.543 -0.000 9.235) 9.579 30.589 ( -0.204 -0.000 4.105) 4.110 30.649 ( 2.604 -0.000 6.898) 7.373 33.613 ( 5.214 0.000 -3.186) 6.111 34.280 ( -4.391 0.000 -8.491) 9.560 35.840 ( -0.976 0.000 -0.243) 1.006 44.744 ( 0.426 -0.000 3.999) 4.022 ======================= Grid point 517 (169/186) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 300 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.060 ( 0.000 -16.972 -26.255) 31.263 6.422 ( 0.000 -13.400 29.287) 32.207 7.356 ( 0.000 -6.210 -35.727) 36.262 7.664 ( 0.000 4.597 -2.680) 5.321 8.154 ( 0.000 -2.983 -5.502) 6.259 8.639 ( 0.000 22.141 -39.880) 45.614 10.475 ( 0.000 -21.714 8.980) 23.498 10.755 ( 0.000 17.074 -14.440) 22.361 12.241 ( 0.000 -3.146 2.921) 4.293 13.411 ( 0.000 3.379 2.901) 4.453 14.068 ( 0.000 2.150 2.957) 3.656 15.972 ( 0.000 -2.198 10.384) 10.614 16.193 ( 0.000 -7.345 0.837) 7.393 16.670 ( 0.000 -2.556 -1.181) 2.815 17.167 ( 0.000 -3.314 28.716) 28.906 17.681 ( 0.000 -3.245 -10.904) 11.376 18.062 ( 0.000 -10.923 -22.737) 25.225 18.687 ( 0.000 9.735 -17.430) 19.964 18.870 ( 0.000 -0.569 6.464) 6.489 19.181 ( 0.000 -0.262 3.466) 3.476 19.692 ( 0.000 -1.539 2.404) 2.854 19.840 ( 0.000 16.459 0.665) 16.472 20.486 ( 0.000 4.437 53.161) 53.346 20.741 ( 0.000 -5.975 -1.030) 6.064 20.938 ( 0.000 2.080 -0.953) 2.287 21.284 ( 0.000 3.573 26.217) 26.460 21.840 ( 0.000 3.301 -21.637) 21.887 22.098 ( 0.000 -5.056 -9.727) 10.963 22.369 ( 0.000 9.315 -21.726) 23.639 22.984 ( 0.000 -2.163 6.080) 6.453 23.902 ( 0.000 0.412 -1.380) 1.440 23.943 ( 0.000 -1.619 5.610) 5.839 24.299 ( 0.000 -1.667 -15.432) 15.522 24.472 ( 0.000 -0.845 -6.880) 6.931 25.003 ( 0.000 0.212 1.690) 1.703 25.197 ( 0.000 2.163 3.533) 4.142 26.931 ( 0.000 0.162 3.955) 3.958 27.111 ( 0.000 -3.986 2.789) 4.865 27.711 ( 0.000 2.736 0.148) 2.740 28.321 ( 0.000 -2.253 8.780) 9.065 28.616 ( 0.000 -0.556 -1.390) 1.497 30.227 ( 0.000 -0.907 0.235) 0.937 30.724 ( 0.000 -1.373 3.172) 3.457 31.098 ( 0.000 1.107 -1.068) 1.538 31.457 ( 0.000 -0.601 3.435) 3.487 34.987 ( 0.000 -0.588 -0.057) 0.591 36.037 ( 0.000 -0.052 -3.661) 3.661 44.650 ( 0.000 0.158 0.255) 0.300 ======================= Grid point 518 (170/186) ======================= q-point: ( 0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.510 ( 12.664 -11.329 24.494) 29.810 6.605 ( 43.023 -13.743 -12.993) 46.996 7.546 ( 20.055 -10.371 -34.952) 41.610 7.699 ( 3.200 4.976 -2.624) 6.472 8.321 ( 19.994 -6.454 -12.666) 24.532 8.723 ( 9.187 24.052 -32.016) 41.084 10.099 ( -20.303 -0.158 -2.948) 20.517 11.234 ( 30.927 -1.954 -5.582) 31.487 12.230 ( -0.947 -3.193 2.206) 3.995 13.333 ( -7.712 3.144 2.589) 8.722 14.060 ( -0.799 2.269 3.217) 4.017 15.865 ( -9.995 -2.566 11.609) 15.533 16.161 ( -3.853 -7.475 0.990) 8.468 16.598 ( -7.466 -2.581 4.728) 9.206 17.158 ( -0.410 -1.981 20.430) 20.530 17.655 ( -2.808 -4.374 -11.363) 12.495 17.903 ( -15.766 -7.418 -23.847) 29.534 18.573 ( -9.975 5.633 -13.851) 17.975 18.863 ( -1.655 2.965 3.193) 4.661 19.200 ( 1.295 0.048 3.977) 4.183 19.679 ( -0.814 -4.102 4.464) 6.117 19.939 ( 8.286 11.798 2.405) 14.616 20.336 ( -11.572 3.099 33.695) 35.762 20.502 ( -13.983 2.969 1.328) 14.356 21.204 ( 15.650 -1.832 1.623) 15.841 21.424 ( 9.882 3.946 26.417) 28.480 21.522 ( -21.296 1.305 -19.348) 28.802 22.128 ( -0.824 2.293 -6.455) 6.900 22.537 ( 13.213 2.811 -12.095) 18.132 22.993 ( 0.804 -0.715 5.536) 5.639 23.728 ( -13.044 -0.609 -3.730) 13.580 23.850 ( -8.902 -1.581 2.754) 9.452 24.400 ( 6.981 0.357 -12.129) 13.999 24.674 ( 16.686 -4.020 -2.933) 17.412 25.051 ( 5.625 1.575 -3.976) 7.066 25.163 ( -3.384 2.244 3.660) 5.466 26.936 ( -13.559 -2.291 3.689) 14.238 27.093 ( 11.341 -0.180 3.803) 11.963 27.666 ( -4.489 1.375 0.047) 4.695 28.163 ( -9.657 -1.089 4.814) 10.845 28.730 ( 6.414 -1.091 1.102) 6.599 30.259 ( 3.203 -0.959 0.554) 3.389 30.693 ( -13.241 -2.497 2.334) 13.675 30.737 ( -10.559 1.238 2.957) 11.035 31.921 ( 30.948 0.200 0.590) 30.954 34.935 ( -5.305 -0.552 -0.461) 5.354 36.019 ( -1.872 -0.076 -3.334) 3.824 44.663 ( 1.245 0.149 0.436) 1.328 ======================= Grid point 519 (171/186) ======================= q-point: ( 0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.677 ( 6.306 -2.200 17.388) 18.626 7.388 ( 26.934 -12.168 -9.263) 30.973 7.759 ( 2.692 4.709 -1.888) 5.743 8.124 ( 35.694 -15.474 -15.526) 41.887 8.948 ( 21.310 12.276 -15.433) 29.035 9.180 ( 55.413 -8.879 -22.992) 60.647 9.880 ( 7.794 19.328 -11.681) 23.890 11.819 ( 28.150 -7.756 -6.074) 29.824 12.217 ( 0.169 -3.126 -0.357) 3.151 13.133 ( -12.193 2.559 0.959) 12.495 14.034 ( -2.011 2.501 3.934) 5.077 15.624 ( -14.066 -3.216 15.615) 21.260 16.034 ( -8.856 -7.040 0.169) 11.314 16.400 ( -11.965 -1.538 12.648) 17.478 17.163 ( 0.055 -2.271 8.290) 8.596 17.437 ( -25.787 -4.711 -24.929) 36.175 17.623 ( -4.796 -1.956 -15.184) 16.043 18.357 ( -11.416 -0.028 -9.158) 14.635 18.788 ( -5.882 7.877 -1.224) 9.907 19.217 ( 0.481 -2.368 6.829) 7.244 19.653 ( -2.471 -7.117 7.633) 10.725 19.994 ( -6.729 -3.682 4.359) 8.822 20.202 ( -2.920 13.340 20.251) 24.425 20.315 ( -0.699 7.101 -5.827) 9.212 21.042 ( -20.949 2.105 -20.390) 29.309 21.529 ( 12.338 -0.021 9.964) 15.859 21.583 ( 3.388 3.261 21.206) 21.721 22.103 ( -0.151 3.193 -8.291) 8.886 22.796 ( 12.201 -3.342 8.467) 15.223 23.016 ( 2.216 3.874 5.204) 6.856 23.489 ( -11.070 -1.507 -5.898) 12.633 23.602 ( -16.474 -1.097 -0.822) 16.531 24.485 ( 1.180 -0.063 1.672) 2.048 24.980 ( 6.510 -3.750 -0.422) 7.525 25.095 ( 4.274 -1.935 0.025) 4.692 25.245 ( 13.121 5.423 -14.383) 20.210 26.498 ( -27.736 -0.421 2.001) 27.812 27.451 ( 22.802 0.178 5.950) 23.566 27.556 ( -6.128 -0.361 -0.292) 6.145 28.053 ( -1.489 -0.015 2.196) 2.653 28.793 ( -0.086 -1.045 0.667) 1.243 30.306 ( -11.235 -1.170 4.400) 12.123 30.366 ( 0.562 -1.101 1.115) 1.665 30.700 ( -1.243 -0.747 2.975) 3.310 32.511 ( 28.901 0.410 -0.632) 28.910 34.786 ( -9.898 -0.445 -1.563) 10.030 35.970 ( -2.979 -0.141 -2.486) 3.883 44.696 ( 2.097 0.126 0.922) 2.294 ======================= Grid point 520 (172/186) ======================= q-point: ( 0.27 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.760 ( 3.007 0.293 1.940) 3.590 7.714 ( 8.882 -4.345 -5.171) 11.158 7.789 ( 1.347 3.973 -3.033) 5.177 8.826 ( 33.080 -19.836 -7.294) 39.255 9.224 ( 8.934 7.716 -5.645) 13.085 9.726 ( 18.788 13.213 -11.464) 25.671 11.162 ( 93.858 4.158 -9.633) 94.443 12.243 ( 11.271 -6.565 -7.534) 15.063 12.324 ( 16.911 -7.512 -7.694) 20.041 12.899 ( -10.634 1.585 -3.806) 11.405 13.978 ( -3.761 2.903 4.682) 6.671 15.333 ( -15.928 -3.033 20.971) 26.508 15.860 ( -7.428 -6.299 -2.202) 9.985 16.173 ( -10.613 -0.132 15.491) 18.778 16.778 ( -34.244 -3.467 -30.283) 45.844 17.224 ( 0.143 3.700 7.819) 8.652 17.595 ( 2.197 -9.358 -17.283) 19.777 18.143 ( -10.566 -2.867 -8.154) 13.651 18.653 ( -7.408 12.057 -3.467) 14.569 19.225 ( 0.423 -4.529 8.339) 9.499 19.557 ( -7.401 -11.779 8.504) 16.305 19.853 ( -5.597 -1.070 -5.715) 8.071 20.090 ( -6.116 12.615 15.564) 20.947 20.388 ( 1.559 5.873 -3.866) 7.202 20.691 ( -15.214 5.399 -14.135) 21.457 21.453 ( -15.823 2.081 16.024) 22.616 21.768 ( 11.065 0.681 7.952) 13.643 22.170 ( 7.052 2.011 -8.124) 10.944 22.881 ( -5.346 -8.036 6.652) 11.722 23.056 ( -8.808 7.032 4.875) 12.280 23.294 ( -1.881 -3.363 0.163) 3.857 23.369 ( -1.253 3.252 2.925) 4.550 24.462 ( -3.020 -0.699 14.517) 14.844 24.864 ( -9.676 1.773 4.995) 11.033 25.362 ( 14.223 -7.794 -13.136) 20.871 25.520 ( 14.073 5.898 -12.017) 19.423 25.981 ( -23.210 0.588 0.017) 23.217 27.430 ( -6.202 -0.281 -0.552) 6.232 27.900 ( 18.791 0.271 9.334) 20.983 28.108 ( 9.107 0.131 -0.992) 9.162 28.740 ( -4.573 -0.681 -1.546) 4.875 30.055 ( -10.757 -1.608 5.473) 12.176 30.488 ( 7.568 -1.386 2.253) 8.017 30.676 ( -1.207 -0.727 2.691) 3.038 33.016 ( 22.618 0.457 -1.353) 22.663 34.563 ( -12.591 -0.280 -3.063) 12.961 35.910 ( -2.964 -0.223 -1.460) 3.312 44.740 ( 2.284 0.096 1.555) 2.765 ======================= Grid point 521 (173/186) ======================= q-point: ( 0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.819 ( 3.233 2.263 -8.394) 9.275 7.726 ( -3.164 0.065 -2.507) 4.037 7.885 ( 5.102 1.226 -4.473) 6.895 9.107 ( 0.968 -0.575 -3.971) 4.127 9.615 ( 26.596 -6.438 -12.792) 30.207 10.126 ( 18.823 14.600 3.825) 24.127 12.273 ( 16.926 -5.601 1.234) 17.872 12.596 ( 7.399 -11.373 -6.486) 15.039 12.653 ( 3.347 -0.632 -2.724) 4.362 13.219 ( 71.466 -0.347 -20.190) 74.264 13.898 ( -3.596 4.616 4.453) 7.353 15.006 ( -17.295 -1.870 20.993) 27.264 15.749 ( -12.067 -4.628 -6.945) 14.672 15.997 ( -6.863 -1.232 13.260) 14.981 16.247 ( -7.056 0.312 -22.376) 23.464 17.210 ( -1.265 6.657 10.447) 12.452 17.704 ( 7.600 -19.127 -17.033) 26.715 17.952 ( -9.011 -6.317 -11.319) 15.787 18.517 ( -6.909 19.396 -4.772) 21.136 19.232 ( 0.029 -4.995 8.209) 9.609 19.401 ( -7.762 -14.296 5.119) 17.053 19.748 ( -6.994 -1.135 -5.020) 8.683 19.966 ( -7.848 7.040 7.854) 13.147 20.330 ( -6.539 6.661 -3.334) 9.912 20.403 ( -16.345 10.729 -2.277) 19.684 20.999 ( -25.664 1.304 4.975) 26.174 21.988 ( 11.105 0.057 4.753) 12.079 22.345 ( 10.274 1.036 -2.583) 10.644 22.595 ( -16.197 -0.758 -7.019) 17.669 22.900 ( -5.666 1.420 4.675) 7.482 23.233 ( -3.434 -1.346 -7.495) 8.353 23.582 ( 14.369 2.796 20.508) 25.196 24.381 ( -5.056 -1.040 25.572) 26.087 24.671 ( -9.421 2.140 6.168) 11.462 25.588 ( 8.424 -5.670 -19.325) 21.831 25.635 ( -10.956 -0.433 -1.086) 11.018 25.767 ( 9.728 4.336 -6.338) 12.394 27.324 ( -4.500 0.680 -0.771) 4.616 28.089 ( 5.539 -0.412 7.627) 9.435 28.391 ( 10.781 0.056 4.614) 11.727 28.674 ( 1.122 0.180 -7.268) 7.356 29.889 ( -6.530 -1.829 5.681) 8.847 30.633 ( 6.209 -1.977 3.403) 7.351 30.657 ( 0.115 -0.418 2.523) 2.560 33.376 ( 14.368 0.441 -1.815) 14.489 34.321 ( -11.561 -0.087 -4.547) 12.423 35.861 ( -2.033 -0.293 -0.624) 2.146 44.780 ( 1.745 0.068 2.135) 2.758 ======================= Grid point 522 (174/186) ======================= q-point: ( 0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 550 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.875 ( 1.955 4.201 -13.804) 14.561 7.665 ( -2.167 -1.056 -2.163) 3.239 7.951 ( 1.692 1.807 -4.042) 4.740 9.102 ( -0.427 4.011 -8.061) 9.014 9.985 ( 9.823 0.376 -12.163) 15.638 10.385 ( 7.163 5.795 13.142) 16.050 12.493 ( 3.808 -2.412 0.544) 4.540 12.601 ( 2.677 -8.681 -7.226) 11.608 12.770 ( 4.283 -11.222 -13.983) 18.433 13.803 ( -1.568 1.641 4.478) 5.020 14.369 ( 33.040 3.211 -2.197) 33.268 14.728 ( -7.927 -0.520 8.766) 11.830 15.295 ( -23.043 -0.895 -14.783) 27.392 15.922 ( -2.014 0.885 14.610) 14.774 16.731 ( 41.677 -2.893 -6.044) 42.212 17.196 ( 0.352 8.922 13.747) 16.392 17.752 ( -11.100 -15.881 -12.932) 23.295 17.839 ( 2.350 -14.462 -16.080) 21.754 18.309 ( -15.425 15.445 -10.251) 24.116 19.202 ( -3.082 -4.556 9.679) 11.133 19.287 ( -3.055 -13.821 3.426) 14.563 19.545 ( -10.679 -9.810 -3.140) 14.837 19.746 ( -9.426 9.758 -1.406) 13.640 20.134 ( -4.738 14.262 11.561) 18.960 20.246 ( -3.055 10.800 -3.637) 11.798 20.692 ( -6.243 2.557 -7.222) 9.883 22.150 ( 4.504 -0.846 -0.484) 4.608 22.389 ( -4.753 2.638 -8.757) 10.308 22.554 ( 9.967 0.320 7.191) 12.295 22.776 ( -7.195 0.699 0.198) 7.231 23.182 ( -1.530 -1.530 -6.915) 7.245 23.811 ( 7.616 2.735 12.637) 15.006 24.283 ( -3.986 -1.527 38.390) 38.626 24.532 ( -4.068 2.485 7.031) 8.495 25.490 ( -3.432 -0.128 -1.559) 3.772 25.707 ( 3.069 -4.895 -21.054) 21.832 25.903 ( 3.694 2.799 -3.718) 5.942 27.263 ( -1.636 1.302 -0.853) 2.258 28.179 ( 3.310 -0.502 8.565) 9.196 28.412 ( -2.778 -0.745 2.171) 3.604 28.801 ( 5.996 1.146 -6.914) 9.223 29.801 ( -2.415 -1.884 5.749) 6.514 30.642 ( -0.288 -0.870 2.316) 2.490 30.744 ( 3.150 -1.740 4.296) 5.604 33.567 ( 5.115 0.401 -2.050) 5.525 34.150 ( -5.083 0.072 -5.533) 7.514 35.834 ( -0.698 -0.329 -0.186) 0.794 44.804 ( 0.650 0.052 2.478) 2.562 ======================= Grid point 528 (175/186) ======================= q-point: ( 0.00 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 186 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.520 ( 0.000 -34.243 -0.000) 34.243 6.201 ( 0.000 -48.330 -0.000) 48.330 7.127 ( 0.000 -0.661 -0.000) 0.661 7.719 ( 0.000 9.139 0.000) 9.139 8.073 ( 0.000 -2.828 -0.000) 2.828 8.680 ( 0.000 49.504 0.000) 49.504 10.183 ( 0.000 -41.645 -0.000) 41.645 10.898 ( 0.000 30.168 0.000) 30.168 12.209 ( 0.000 -7.191 -0.000) 7.191 13.464 ( 0.000 6.285 0.000) 6.285 14.119 ( 0.000 2.058 0.000) 2.058 16.074 ( 0.000 -12.320 -0.000) 12.320 16.084 ( 0.000 -4.649 -0.000) 4.649 16.632 ( 0.000 -5.011 -0.000) 5.011 17.467 ( 0.000 -5.615 -0.000) 5.615 17.598 ( 0.000 3.357 0.000) 3.357 17.614 ( 0.000 -15.917 -0.000) 15.917 18.620 ( 0.000 13.534 0.000) 13.534 18.920 ( 0.000 -1.935 -0.000) 1.935 19.186 ( 0.000 -5.148 -0.000) 5.148 19.698 ( 0.000 -1.715 -0.000) 1.715 20.070 ( 0.000 26.074 0.000) 26.074 20.647 ( 0.000 -10.213 -0.000) 10.213 20.954 ( 0.000 4.056 0.000) 4.056 21.285 ( 0.000 14.140 0.000) 14.140 21.480 ( 0.000 1.722 0.000) 1.722 21.552 ( 0.000 -12.414 -0.000) 12.414 22.014 ( 0.000 13.004 0.000) 13.004 22.240 ( 0.000 11.316 0.000) 11.316 22.989 ( 0.000 -5.552 -0.000) 5.552 23.899 ( 0.000 1.252 0.000) 1.252 23.969 ( 0.000 -3.191 -0.000) 3.191 24.167 ( 0.000 2.118 0.000) 2.118 24.368 ( 0.000 -4.555 -0.000) 4.555 25.024 ( 0.000 0.393 0.000) 0.393 25.263 ( 0.000 4.007 0.000) 4.007 26.969 ( 0.000 -0.279 -0.000) 0.279 27.067 ( 0.000 -7.328 -0.000) 7.328 27.758 ( 0.000 4.871 0.000) 4.871 28.361 ( 0.000 -4.643 -0.000) 4.643 28.593 ( 0.000 -1.129 -0.000) 1.129 30.214 ( 0.000 -1.776 -0.000) 1.776 30.728 ( 0.000 -2.813 -0.000) 2.813 31.109 ( 0.000 2.291 0.000) 2.291 31.479 ( 0.000 -1.198 -0.000) 1.198 34.976 ( 0.000 -1.234 -0.000) 1.234 36.003 ( 0.000 -0.082 -0.000) 0.082 44.656 ( 0.000 0.317 0.000) 0.317 ======================= Grid point 529 (176/186) ======================= q-point: ( 0.09 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.174 ( 57.000 -32.264 -0.000) 65.498 6.450 ( 23.979 -42.883 -0.000) 49.132 7.143 ( 5.592 -1.471 -0.000) 5.782 7.761 ( 3.517 9.533 0.000) 10.161 8.160 ( 10.362 -4.022 -0.000) 11.115 8.856 ( 17.599 47.368 0.000) 50.532 9.999 ( -12.150 -17.877 -0.000) 21.615 11.187 ( 23.326 9.126 0.000) 25.047 12.192 ( -1.658 -7.185 -0.000) 7.374 13.380 ( -8.323 5.701 0.000) 10.088 14.116 ( -0.313 2.367 0.000) 2.387 15.958 ( -9.202 -7.346 -0.000) 11.775 16.075 ( -3.178 -10.256 -0.000) 10.737 16.588 ( -4.438 -6.427 -0.000) 7.810 17.377 ( -9.382 -5.736 -0.000) 10.996 17.504 ( -10.625 -8.576 -0.000) 13.654 17.578 ( -2.372 2.700 0.000) 3.594 18.491 ( -11.203 8.424 0.000) 14.016 18.916 ( -1.215 0.661 0.000) 1.383 19.211 ( 1.719 -4.743 -0.000) 5.045 19.681 ( -0.864 -3.907 -0.000) 4.001 20.144 ( 6.425 21.632 0.000) 22.566 20.368 ( -20.190 -6.685 -0.000) 21.268 21.000 ( -11.955 4.861 0.000) 12.905 21.028 ( -13.161 3.420 0.000) 13.598 21.400 ( 6.221 9.585 0.000) 11.427 21.717 ( 9.036 -1.689 -0.000) 9.193 22.194 ( -4.570 10.122 0.000) 11.106 22.402 ( 28.608 4.867 0.000) 29.019 23.001 ( 0.952 -4.833 -0.000) 4.926 23.690 ( -14.788 -0.322 -0.000) 14.791 23.835 ( -11.331 -2.478 -0.000) 11.599 24.312 ( 10.576 2.533 0.000) 10.875 24.588 ( 16.378 -6.550 -0.000) 17.639 25.040 ( 2.436 1.955 0.000) 3.124 25.231 ( -3.251 4.067 0.000) 5.207 26.923 ( -13.759 -5.649 -0.000) 14.873 27.127 ( 14.046 0.265 0.000) 14.049 27.691 ( -6.573 2.693 0.000) 7.103 28.185 ( -10.034 -2.147 -0.000) 10.261 28.722 ( 6.599 -2.381 -0.000) 7.015 30.248 ( 3.416 -1.890 -0.000) 3.904 30.681 ( -11.444 -3.349 -0.000) 11.924 30.776 ( -11.929 0.829 0.000) 11.958 31.930 ( 30.464 0.406 0.000) 30.467 34.921 ( -5.614 -1.145 -0.000) 5.730 35.986 ( -1.610 -0.138 -0.000) 1.616 44.669 ( 1.397 0.299 0.000) 1.428 ======================= Grid point 530 (177/186) ======================= q-point: ( 0.18 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.789 ( 2.195 -11.414 -0.000) 11.623 7.045 ( 34.065 -29.336 -0.000) 44.956 7.774 ( 31.222 -7.061 -0.000) 32.010 7.841 ( 19.188 2.911 0.000) 19.408 8.622 ( 40.534 -16.529 -0.000) 43.775 9.329 ( 30.501 41.101 0.000) 51.182 9.936 ( 14.888 5.332 0.000) 15.814 11.655 ( 23.149 -5.865 -0.000) 23.881 12.157 ( -1.497 -6.892 -0.000) 7.053 13.160 ( -13.677 4.269 0.000) 14.328 14.103 ( -1.231 3.144 0.000) 3.377 15.755 ( -10.621 -7.920 -0.000) 13.249 15.958 ( -8.991 -10.088 -0.000) 13.513 16.469 ( -7.429 -6.147 -0.000) 9.643 17.008 ( -28.752 -9.459 -0.000) 30.268 17.331 ( -5.523 2.528 0.000) 6.074 17.509 ( -4.349 3.344 0.000) 5.486 18.259 ( -11.863 0.971 0.000) 11.902 18.855 ( -4.859 5.355 0.000) 7.231 19.228 ( -0.131 -5.837 -0.000) 5.838 19.683 ( 0.492 -5.580 -0.000) 5.601 19.951 ( -19.301 -8.996 -0.000) 21.295 20.307 ( 6.457 11.636 0.000) 13.308 20.655 ( -16.085 6.009 0.000) 17.171 20.829 ( -9.312 16.339 0.000) 18.806 21.646 ( 14.412 3.988 0.000) 14.954 21.821 ( 0.439 4.167 0.000) 4.190 22.076 ( -6.049 6.596 0.000) 8.950 22.942 ( 24.320 0.166 0.000) 24.321 23.009 ( -0.630 -4.484 -0.000) 4.528 23.436 ( -9.860 0.657 0.000) 9.881 23.544 ( -18.563 -1.714 -0.000) 18.641 24.524 ( 10.261 0.909 0.000) 10.302 24.840 ( 7.836 -9.260 -0.000) 12.131 25.136 ( -3.011 5.230 0.000) 6.035 25.190 ( 11.100 3.884 0.000) 11.760 26.507 ( -27.000 -1.274 -0.000) 27.030 27.511 ( 24.091 0.722 0.000) 24.102 27.546 ( -7.161 -0.870 -0.000) 7.214 28.070 ( -2.172 -0.161 -0.000) 2.178 28.781 ( -0.563 -2.244 -0.000) 2.313 30.327 ( -6.621 -2.380 -0.000) 7.036 30.357 ( -3.413 -2.227 -0.000) 4.075 30.714 ( -1.466 -1.455 -0.000) 2.066 32.513 ( 28.556 0.833 0.000) 28.568 34.763 ( -10.418 -0.900 -0.000) 10.457 35.944 ( -2.569 -0.281 -0.000) 2.584 44.707 ( 2.352 0.251 0.000) 2.365 ======================= Grid point 531 (178/186) ======================= q-point: ( 0.27 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.768 ( -1.240 -2.260 -0.000) 2.578 7.573 ( 18.101 -10.951 -0.000) 21.156 7.816 ( -1.078 5.198 0.000) 5.309 8.573 ( 37.720 -14.698 -0.000) 40.482 9.128 ( 8.059 -6.979 -0.000) 10.661 9.928 ( 28.290 33.523 0.000) 43.865 11.094 ( 92.828 -4.877 -0.000) 92.956 12.041 ( 16.291 -9.190 -0.000) 18.704 12.168 ( 4.665 -7.728 -0.000) 9.027 12.884 ( -13.807 2.383 0.000) 14.011 14.064 ( -2.788 4.592 0.000) 5.372 15.578 ( -8.029 -6.221 -0.000) 10.157 15.742 ( -11.479 -9.750 -0.000) 15.061 16.315 ( -12.970 -2.707 -0.000) 13.250 16.362 ( -30.158 -5.029 -0.000) 30.575 17.281 ( 0.076 -6.337 -0.000) 6.337 17.427 ( -3.592 4.689 0.000) 5.906 18.034 ( -11.496 -0.808 -0.000) 11.524 18.754 ( -4.756 9.982 0.000) 11.057 19.215 ( -0.995 -9.054 -0.000) 9.108 19.559 ( -14.244 -11.156 -0.000) 18.093 19.753 ( -0.311 -1.540 -0.000) 1.571 20.244 ( -12.797 -5.876 -0.000) 14.082 20.510 ( -0.699 16.119 0.000) 16.134 20.683 ( -5.765 21.989 0.000) 22.732 21.622 ( -21.346 3.759 0.000) 21.675 21.885 ( 9.509 2.399 0.000) 9.807 22.096 ( 8.659 3.611 0.000) 9.382 22.873 ( -15.988 -8.235 -0.000) 17.985 23.157 ( -2.928 -1.221 -0.000) 3.173 23.195 ( -12.976 1.675 0.000) 13.084 23.499 ( 16.623 4.994 0.000) 17.357 24.668 ( 4.173 -2.123 -0.000) 4.682 24.880 ( -4.802 -3.381 -0.000) 5.872 25.118 ( 5.394 2.645 0.000) 6.008 25.482 ( 15.331 2.017 0.000) 15.463 25.990 ( -23.728 0.991 0.000) 23.748 27.422 ( -5.631 -0.503 -0.000) 5.654 28.013 ( 26.065 1.216 0.000) 26.093 28.077 ( 2.464 -0.315 -0.000) 2.484 28.713 ( -5.918 -1.641 -0.000) 6.142 30.078 ( -10.827 -3.250 -0.000) 11.304 30.485 ( 7.884 -2.796 -0.000) 8.365 30.687 ( -1.294 -1.466 -0.000) 1.955 33.011 ( 22.345 0.922 0.000) 22.364 34.530 ( -13.165 -0.546 -0.000) 13.176 35.893 ( -2.570 -0.450 -0.000) 2.609 44.756 ( 2.560 0.190 0.000) 2.567 ======================= Grid point 532 (179/186) ======================= q-point: ( 0.36 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.776 ( 1.976 3.795 0.000) 4.279 7.699 ( -3.044 -0.592 -0.000) 3.101 7.862 ( 5.918 1.840 0.000) 6.197 9.085 ( 5.214 0.649 0.000) 5.254 9.402 ( 29.930 -7.056 -0.000) 30.750 10.383 ( 17.255 21.103 0.000) 27.259 12.141 ( 10.005 -26.628 -0.000) 28.446 12.303 ( 10.431 -9.359 -0.000) 14.014 12.656 ( -8.850 0.202 0.000) 8.852 13.071 ( 82.935 3.448 0.000) 83.007 14.008 ( -1.730 7.827 0.000) 8.016 15.327 ( -17.586 -0.401 -0.000) 17.590 15.515 ( -25.110 -6.554 -0.000) 25.952 15.881 ( 5.151 -9.839 -0.000) 11.106 16.232 ( -1.005 3.170 0.000) 3.326 17.312 ( 2.320 -21.096 -0.000) 21.223 17.390 ( 0.292 5.004 0.000) 5.013 17.812 ( -11.235 2.599 0.000) 11.532 18.677 ( -4.696 15.379 0.000) 16.080 19.183 ( -3.150 -13.930 -0.000) 14.282 19.321 ( -8.653 -11.909 -0.000) 14.721 19.691 ( -10.726 -0.597 -0.000) 10.743 20.011 ( -7.985 -4.007 -0.000) 8.934 20.422 ( -9.057 13.591 0.000) 16.332 20.596 ( -3.613 23.781 0.000) 24.053 21.050 ( -33.117 0.594 0.000) 33.123 22.041 ( 6.855 0.928 0.000) 6.918 22.325 ( 13.111 1.613 0.000) 13.210 22.525 ( -14.108 -0.492 -0.000) 14.117 23.012 ( -7.824 1.730 0.000) 8.013 23.103 ( -2.462 -1.704 -0.000) 2.994 23.799 ( 12.499 4.692 0.000) 13.351 24.695 ( -2.695 -1.953 -0.000) 3.328 24.747 ( -4.764 -1.360 -0.000) 4.954 25.272 ( 8.143 0.973 0.000) 8.201 25.630 ( -11.983 0.347 0.000) 11.988 25.745 ( 9.919 0.764 0.000) 9.948 27.329 ( -3.811 1.346 0.000) 4.041 28.149 ( 4.731 -0.949 -0.000) 4.825 28.472 ( 19.715 1.786 0.000) 19.796 28.574 ( -7.602 -1.228 -0.000) 7.701 29.910 ( -6.597 -3.693 -0.000) 7.560 30.633 ( 5.964 -3.483 -0.000) 6.907 30.670 ( 0.525 -1.385 -0.000) 1.481 33.367 ( 14.167 0.892 0.000) 14.195 34.278 ( -12.016 -0.151 -0.000) 12.017 35.850 ( -1.773 -0.584 -0.000) 1.866 44.801 ( 1.954 0.133 0.000) 1.958 ======================= Grid point 533 (180/186) ======================= q-point: ( 0.45 -0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 306 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.822 ( 1.866 8.788 0.000) 8.984 7.627 ( -2.688 -2.214 -0.000) 3.483 7.942 ( 2.078 3.116 0.000) 3.745 9.108 ( 0.024 8.878 0.000) 8.878 9.874 ( 13.799 1.217 0.000) 13.853 10.589 ( 4.780 5.593 0.000) 7.358 12.254 ( 2.509 -33.659 -0.000) 33.752 12.482 ( 5.122 -3.443 -0.000) 6.172 12.553 ( -0.596 -0.953 -0.000) 1.124 13.873 ( 1.508 3.402 0.000) 3.721 14.394 ( 36.783 5.255 0.000) 37.157 14.952 ( -20.238 4.130 0.000) 20.655 15.044 ( -15.722 -2.180 -0.000) 15.872 16.059 ( 1.166 -2.338 -0.000) 2.612 16.640 ( 41.849 -4.678 -0.000) 42.110 17.344 ( 0.763 -27.452 -0.000) 27.462 17.451 ( 5.886 -4.011 -0.000) 7.123 17.616 ( -8.088 11.274 0.000) 13.875 18.350 ( -32.321 10.914 0.000) 34.114 19.108 ( -1.034 -19.123 -0.000) 19.151 19.224 ( -3.863 -10.452 -0.000) 11.143 19.427 ( -7.280 -7.338 -0.000) 10.337 19.883 ( -6.891 15.214 0.000) 16.702 20.300 ( 1.091 10.077 0.000) 10.135 20.493 ( -9.401 14.316 0.000) 17.127 20.624 ( -6.696 9.703 0.000) 11.789 22.130 ( 1.911 -1.559 -0.000) 2.466 22.352 ( -2.978 4.174 0.000) 5.127 22.600 ( 12.664 2.186 0.000) 12.851 22.848 ( -9.428 0.677 0.000) 9.452 23.065 ( -1.219 -2.756 -0.000) 3.014 23.965 ( 4.355 5.226 0.000) 6.802 24.594 ( -3.650 1.782 0.000) 4.062 24.729 ( 0.003 -4.678 -0.000) 4.678 25.390 ( 3.582 0.837 0.000) 3.678 25.476 ( -4.009 -0.149 -0.000) 4.012 25.885 ( 3.753 -0.204 -0.000) 3.759 27.278 ( -1.357 2.604 0.000) 2.936 28.249 ( 4.954 -1.002 -0.000) 5.054 28.428 ( -6.201 -1.397 -0.000) 6.356 28.749 ( 7.524 2.219 0.000) 7.844 29.822 ( -2.398 -3.816 -0.000) 4.507 30.649 ( -0.277 -1.694 -0.000) 1.716 30.752 ( 3.210 -3.633 -0.000) 4.848 33.555 ( 5.031 0.826 0.000) 5.099 34.100 ( -5.261 0.159 0.000) 5.264 35.827 ( -0.611 -0.652 -0.000) 0.894 44.828 ( 0.728 0.100 0.000) 0.735 ======================= Grid point 638 (181/186) ======================= q-point: ( 0.00 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.921 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 -0.000 -0.000) 0.000 7.611 ( 0.000 0.000 0.000) 0.000 7.936 ( 0.000 0.000 0.000) 0.000 8.123 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 0.000) 0.000 12.288 ( 0.000 0.000 0.000) 0.000 13.393 ( 0.000 0.000 0.000) 0.000 14.097 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.254 ( 0.000 -0.000 -0.000) 0.000 16.661 ( 0.000 0.000 0.000) 0.000 17.502 ( 0.000 0.000 0.000) 0.000 17.581 ( 0.000 0.000 0.000) 0.000 17.887 ( 0.000 0.000 0.000) 0.000 18.403 ( 0.000 0.000 0.000) 0.000 18.880 ( 0.000 0.000 0.000) 0.000 19.247 ( 0.000 0.000 0.000) 0.000 19.719 ( 0.000 0.000 0.000) 0.000 19.776 ( 0.000 -0.000 -0.000) 0.000 20.779 ( 0.000 0.000 0.000) 0.000 20.916 ( 0.000 0.000 0.000) 0.000 21.126 ( 0.000 0.000 0.000) 0.000 21.457 ( 0.000 0.000 0.000) 0.000 21.731 ( 0.000 0.000 0.000) 0.000 21.853 ( 0.000 0.000 0.000) 0.000 22.070 ( 0.000 0.000 0.000) 0.000 23.060 ( 0.000 0.000 0.000) 0.000 23.885 ( 0.000 0.000 0.000) 0.000 24.006 ( 0.000 0.000 0.000) 0.000 24.130 ( 0.000 0.000 0.000) 0.000 24.426 ( 0.000 0.000 0.000) 0.000 25.019 ( 0.000 0.000 0.000) 0.000 25.218 ( 0.000 0.000 0.000) 0.000 26.968 ( 0.000 0.000 0.000) 0.000 27.159 ( 0.000 0.000 0.000) 0.000 27.696 ( 0.000 0.000 0.000) 0.000 28.414 ( 0.000 0.000 0.000) 0.000 28.606 ( 0.000 0.000 0.000) 0.000 30.235 ( 0.000 0.000 0.000) 0.000 30.761 ( 0.000 0.000 0.000) 0.000 31.081 ( 0.000 0.000 0.000) 0.000 31.493 ( 0.000 0.000 0.000) 0.000 34.990 ( 0.000 0.000 0.000) 0.000 36.004 ( 0.000 0.000 0.000) 0.000 44.652 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 640 (182/186) ======================= q-point: ( 0.09 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.556 ( 56.142 0.000 0.000) 56.142 6.967 ( -2.842 0.000 0.000) 2.842 7.273 ( 24.961 -0.000 -0.000) 24.961 7.646 ( 3.217 0.000 0.000) 3.217 8.117 ( 18.600 0.000 0.000) 18.600 8.265 ( 16.991 0.000 0.000) 16.991 10.039 ( -25.915 0.000 0.000) 25.915 11.238 ( 31.864 0.000 0.000) 31.864 12.271 ( -1.665 0.000 0.000) 1.665 13.316 ( -7.693 0.000 0.000) 7.693 14.091 ( -0.622 0.000 0.000) 0.622 16.030 ( -8.960 0.000 0.000) 8.960 16.237 ( -3.346 0.000 0.000) 3.346 16.645 ( -2.194 0.000 0.000) 2.194 17.384 ( -9.053 -0.000 -0.000) 9.053 17.565 ( -2.725 0.000 0.000) 2.725 17.683 ( -20.259 0.000 0.000) 20.259 18.370 ( -3.508 0.000 0.000) 3.508 18.837 ( -4.415 0.000 0.000) 4.415 19.274 ( 2.346 -0.000 -0.000) 2.346 19.721 ( 0.147 0.000 0.000) 0.147 19.906 ( 12.043 -0.000 -0.000) 12.043 20.451 ( -19.298 0.000 0.000) 19.298 20.938 ( -16.511 0.000 0.000) 16.511 21.022 ( -25.235 0.000 0.000) 25.235 21.244 ( 19.244 0.000 0.000) 19.244 21.795 ( 3.254 0.000 0.000) 3.254 22.041 ( -2.721 -0.000 -0.000) 2.721 22.348 ( 32.281 -0.000 -0.000) 32.281 23.062 ( 0.194 0.000 0.000) 0.194 23.692 ( -14.350 0.000 0.000) 14.350 23.860 ( -11.322 0.000 0.000) 11.322 24.282 ( 11.184 0.000 0.000) 11.184 24.667 ( 19.113 0.000 0.000) 19.113 25.013 ( -0.362 -0.000 -0.000) 0.362 25.184 ( -3.356 0.000 0.000) 3.356 26.986 ( -15.471 0.000 0.000) 15.471 27.125 ( 12.898 0.000 0.000) 12.898 27.657 ( -3.846 -0.000 -0.000) 3.846 28.210 ( -11.596 0.000 0.000) 11.596 28.749 ( 6.805 0.000 0.000) 6.805 30.270 ( 3.553 0.000 0.000) 3.553 30.733 ( -21.606 0.000 0.000) 21.606 30.753 ( -0.838 0.000 0.000) 0.838 31.926 ( 29.978 0.000 0.000) 29.978 34.934 ( -5.718 0.000 0.000) 5.718 35.988 ( -1.545 0.000 0.000) 1.545 44.666 ( 1.418 0.000 0.000) 1.418 ======================= Grid point 642 (183/186) ======================= q-point: ( 0.18 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.880 ( -5.610 0.000 0.000) 5.610 7.387 ( 23.656 0.000 0.000) 23.656 7.712 ( 2.876 0.000 0.000) 2.876 8.099 ( 47.258 -0.000 -0.000) 47.258 8.627 ( 32.150 -0.000 -0.000) 32.150 9.092 ( 78.886 0.000 0.000) 78.886 9.609 ( -17.701 0.000 0.000) 17.701 11.827 ( 27.974 0.000 0.000) 27.974 12.232 ( -1.940 0.000 0.000) 1.940 13.112 ( -12.673 0.000 0.000) 12.673 14.070 ( -1.747 0.000 0.000) 1.747 15.835 ( -10.357 0.000 0.000) 10.357 16.101 ( -10.471 0.000 0.000) 10.471 16.546 ( -8.407 0.000 0.000) 8.407 17.146 ( -33.760 -0.000 -0.000) 33.760 17.252 ( -2.826 -0.000 -0.000) 2.826 17.489 ( -4.008 0.000 0.000) 4.008 18.264 ( -7.447 0.000 0.000) 7.447 18.714 ( -7.992 0.000 0.000) 7.992 19.318 ( 1.917 -0.000 -0.000) 1.917 19.721 ( -0.284 0.000 0.000) 0.284 20.082 ( -14.202 0.000 0.000) 14.202 20.182 ( 10.200 0.000 0.000) 10.200 20.572 ( -17.605 0.000 0.000) 17.605 20.640 ( -15.781 -0.000 -0.000) 15.781 21.597 ( 16.605 0.000 0.000) 16.605 21.789 ( -4.781 0.000 0.000) 4.781 21.989 ( -1.415 0.000 0.000) 1.415 22.938 ( 27.321 -0.000 -0.000) 27.321 23.065 ( -0.068 0.000 0.000) 0.068 23.428 ( -12.075 0.000 0.000) 12.075 23.563 ( -20.018 0.000 0.000) 20.018 24.514 ( 11.757 0.000 0.000) 11.757 25.015 ( 6.691 -0.000 -0.000) 6.691 25.022 ( 1.881 0.000 0.000) 1.881 25.131 ( 6.837 0.000 0.000) 6.837 26.519 ( -29.191 0.000 0.000) 29.191 27.503 ( 23.906 0.000 0.000) 23.906 27.556 ( -6.294 -0.000 -0.000) 6.294 28.072 ( -2.627 0.000 0.000) 2.627 28.806 ( -0.884 0.000 0.000) 0.884 30.355 ( -5.483 0.000 0.000) 5.483 30.383 ( -3.732 0.000 0.000) 3.732 30.731 ( -1.338 0.000 0.000) 1.338 32.503 ( 28.433 0.000 0.000) 28.433 34.774 ( -10.602 0.000 0.000) 10.602 35.948 ( -2.469 0.000 0.000) 2.469 44.704 ( 2.386 0.000 0.000) 2.386 ======================= Grid point 644 (184/186) ======================= q-point: ( 0.27 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.778 ( -4.327 0.000 0.000) 4.327 7.691 ( 10.329 0.000 0.000) 10.329 7.738 ( -0.312 0.000 0.000) 0.312 8.900 ( 38.032 0.000 0.000) 38.032 9.150 ( 6.191 -0.000 -0.000) 6.191 9.496 ( 19.515 0.000 0.000) 19.515 11.029 ( 108.628 -0.000 -0.000) 108.628 12.217 ( 1.251 -0.000 -0.000) 1.251 12.295 ( 19.776 0.000 0.000) 19.776 12.858 ( -12.595 0.000 0.000) 12.595 14.016 ( -3.906 0.000 0.000) 3.906 15.638 ( -11.157 0.000 0.000) 11.157 15.873 ( -10.321 0.000 0.000) 10.321 16.348 ( -10.599 0.000 0.000) 10.599 16.431 ( -38.156 -0.000 -0.000) 38.156 17.251 ( 0.170 -0.000 -0.000) 0.170 17.482 ( 5.760 0.000 0.000) 5.760 18.084 ( -10.900 0.000 0.000) 10.900 18.538 ( -9.945 0.000 0.000) 9.945 19.343 ( 0.652 -0.000 -0.000) 0.652 19.689 ( -4.659 0.000 0.000) 4.659 19.813 ( -9.858 0.000 0.000) 9.858 20.291 ( -12.014 0.000 0.000) 12.014 20.338 ( 2.465 -0.000 -0.000) 2.465 20.391 ( -9.861 -0.000 -0.000) 9.861 21.575 ( -18.606 0.000 0.000) 18.606 21.857 ( 9.804 0.000 0.000) 9.804 22.057 ( 9.649 -0.000 -0.000) 9.649 23.037 ( -28.032 0.000 0.000) 28.032 23.051 ( -1.739 0.000 0.000) 1.739 23.236 ( -7.598 0.000 0.000) 7.598 23.432 ( 18.755 -0.000 -0.000) 18.755 24.694 ( 6.078 0.000 0.000) 6.078 24.901 ( -9.340 0.000 0.000) 9.340 25.110 ( 7.267 0.000 0.000) 7.267 25.454 ( 17.097 -0.000 -0.000) 17.097 25.978 ( -24.127 0.000 0.000) 24.127 27.427 ( -6.579 0.000 0.000) 6.579 27.998 ( 25.792 0.000 0.000) 25.792 28.081 ( 2.750 0.000 0.000) 2.750 28.731 ( -6.255 0.000 0.000) 6.255 30.116 ( -10.435 0.000 0.000) 10.435 30.517 ( 8.295 0.000 0.000) 8.295 30.704 ( -1.355 0.000 0.000) 1.355 33.001 ( 22.336 0.000 0.000) 22.336 34.536 ( -13.395 0.000 0.000) 13.395 35.898 ( -2.475 0.000 0.000) 2.475 44.754 ( 2.597 0.000 0.000) 2.597 ======================= Grid point 646 (185/186) ======================= q-point: ( 0.36 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.725 ( -1.097 0.000 0.000) 1.097 7.704 ( -2.797 0.000 0.000) 2.797 7.837 ( 5.226 0.000 0.000) 5.226 9.072 ( -5.281 0.000 0.000) 5.281 9.539 ( 25.856 -0.000 -0.000) 25.856 10.076 ( 29.075 0.000 0.000) 29.075 12.307 ( 9.250 0.000 0.000) 9.250 12.588 ( 10.668 0.000 0.000) 10.668 12.652 ( -7.846 0.000 0.000) 7.846 13.028 ( 90.054 0.000 0.000) 90.054 13.922 ( -5.415 0.000 0.000) 5.415 15.333 ( -19.595 0.000 0.000) 19.595 15.593 ( -30.934 0.000 0.000) 30.934 16.016 ( 13.062 0.000 0.000) 13.062 16.171 ( -7.226 0.000 0.000) 7.226 17.247 ( 0.640 0.000 0.000) 0.640 17.699 ( 12.687 0.000 0.000) 12.687 17.866 ( -9.312 0.000 0.000) 9.312 18.325 ( -12.774 0.000 0.000) 12.774 19.347 ( -0.147 -0.000 -0.000) 0.147 19.528 ( -8.982 0.000 0.000) 8.982 19.716 ( -3.242 0.000 0.000) 3.242 20.049 ( -16.148 0.000 0.000) 16.148 20.242 ( -5.862 -0.000 -0.000) 5.862 20.278 ( -6.840 0.000 0.000) 6.840 21.043 ( -32.999 0.000 0.000) 32.999 22.028 ( 8.230 0.000 0.000) 8.230 22.306 ( 14.434 0.000 0.000) 14.434 22.529 ( -20.092 0.000 0.000) 20.092 22.981 ( -5.603 0.000 0.000) 5.603 23.137 ( -2.965 0.000 0.000) 2.965 23.741 ( 12.264 -0.000 -0.000) 12.264 24.714 ( -9.198 0.000 0.000) 9.198 24.762 ( 1.718 0.000 0.000) 1.718 25.270 ( 8.000 0.000 0.000) 8.000 25.626 ( -12.251 0.000 0.000) 12.251 25.735 ( 11.455 0.000 0.000) 11.455 27.314 ( -4.820 0.000 0.000) 4.820 28.159 ( 4.929 0.000 0.000) 4.929 28.451 ( 19.551 0.000 0.000) 19.551 28.588 ( -7.823 0.000 0.000) 7.823 29.953 ( -6.472 0.000 0.000) 6.472 30.678 ( 7.805 0.000 0.000) 7.805 30.681 ( -0.966 -0.000 -0.000) 0.966 33.357 ( 14.201 0.000 0.000) 14.201 34.279 ( -12.244 0.000 0.000) 12.244 35.857 ( -1.711 0.000 0.000) 1.711 44.799 ( 1.982 0.000 0.000) 1.982 ======================= Grid point 648 (186/186) ======================= q-point: ( 0.45 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 7.39e-05 7.39e-05 Number of triplets: 173 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 6.722 ( 0.268 0.000 0.000) 0.268 7.654 ( -1.712 0.000 0.000) 1.712 7.903 ( 1.682 0.000 0.000) 1.682 9.004 ( -1.758 0.000 0.000) 1.758 9.865 ( 7.917 0.000 0.000) 7.917 10.487 ( 11.538 -0.000 -0.000) 11.538 12.505 ( 6.056 0.000 0.000) 6.056 12.560 ( 0.130 0.000 0.000) 0.130 12.720 ( 3.235 0.000 0.000) 3.235 13.834 ( -2.778 0.000 0.000) 2.778 14.326 ( 42.958 0.000 0.000) 42.958 14.911 ( -23.351 0.000 0.000) 23.351 15.073 ( -17.012 0.000 0.000) 17.012 16.075 ( -2.604 0.000 0.000) 2.604 16.691 ( 46.379 0.000 0.000) 46.379 17.287 ( 2.630 0.000 0.000) 2.630 17.641 ( -6.735 0.000 0.000) 6.735 17.961 ( -26.480 0.000 0.000) 26.480 17.992 ( 8.961 -0.000 -0.000) 8.961 19.331 ( -2.182 -0.000 -0.000) 2.182 19.390 ( -4.436 0.000 0.000) 4.436 19.594 ( -21.652 -0.000 -0.000) 21.652 19.653 ( -2.498 0.000 0.000) 2.498 20.159 ( -3.778 0.000 0.000) 3.778 20.166 ( -1.914 -0.000 -0.000) 1.914 20.599 ( -9.500 0.000 0.000) 9.500 22.147 ( 3.384 0.000 0.000) 3.384 22.288 ( -5.642 0.000 0.000) 5.642 22.580 ( 12.466 0.000 0.000) 12.466 22.841 ( -8.338 0.000 0.000) 8.338 23.101 ( -0.932 0.000 0.000) 0.932 23.901 ( 4.129 -0.000 -0.000) 4.129 24.577 ( -4.038 0.000 0.000) 4.038 24.780 ( 0.373 0.000 0.000) 0.373 25.386 ( 3.503 0.000 0.000) 3.503 25.478 ( -3.745 0.000 0.000) 3.745 25.887 ( 4.012 0.000 0.000) 4.012 27.249 ( -1.750 0.000 0.000) 1.750 28.259 ( 4.753 0.000 0.000) 4.753 28.443 ( -5.947 0.000 0.000) 5.947 28.723 ( 7.387 0.000 0.000) 7.387 29.865 ( -2.374 0.000 0.000) 2.374 30.668 ( -0.345 0.000 0.000) 0.345 30.794 ( 3.435 0.000 0.000) 3.435 33.546 ( 5.063 0.000 0.000) 5.063 34.099 ( -5.377 0.000 0.000) 5.377 35.834 ( -0.591 0.000 0.000) 0.591 44.826 ( 0.739 0.000 0.000) 0.739 =================== 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 3/52800 10.0 267.311 178.134 48.185 0.000 -0.000 0.000 3/52800 20.0 2662.086 2734.891 1343.919 0.000 -0.000 0.000 3/52800 30.0 3698.092 4319.064 2984.559 0.000 -0.000 0.000 3/52800 40.0 2455.311 2677.632 2886.570 0.000 -0.000 0.000 3/52800 50.0 1597.045 1455.784 1984.938 0.000 0.000 0.000 3/52800 60.0 1108.307 888.714 1327.829 0.000 0.000 0.000 3/52800 70.0 798.579 587.733 923.402 0.000 0.000 0.000 3/52800 80.0 593.348 411.547 669.698 0.000 0.000 0.000 3/52800 90.0 454.188 301.646 504.070 0.000 0.000 0.000 3/52800 100.0 357.557 229.692 391.728 -0.000 0.000 0.000 3/52800 110.0 288.658 180.639 312.891 -0.000 0.000 0.000 3/52800 120.0 238.213 146.003 255.882 -0.000 0.000 0.000 3/52800 130.0 200.355 120.784 213.554 -0.000 0.000 0.000 3/52800 140.0 171.301 101.919 181.387 -0.000 0.000 0.000 3/52800 150.0 148.556 87.468 156.433 -0.000 0.000 0.000 3/52800 160.0 130.435 76.166 136.720 -0.000 0.000 0.000 3/52800 170.0 115.772 67.162 120.891 -0.000 0.000 0.000 3/52800 180.0 103.743 59.873 107.995 -0.000 0.000 0.000 3/52800 190.0 93.752 53.886 97.351 -0.000 0.000 0.000 3/52800 200.0 85.363 48.905 88.461 -0.000 0.000 0.000 3/52800 210.0 78.249 44.712 80.958 -0.000 0.000 0.000 3/52800 220.0 72.160 41.147 74.562 -0.000 0.000 0.000 3/52800 230.0 66.907 38.086 69.062 -0.000 0.000 0.000 3/52800 240.0 62.340 35.436 64.294 -0.000 0.000 0.000 3/52800 250.0 58.341 33.124 60.129 -0.000 0.000 0.000 3/52800 260.0 54.818 31.093 56.467 -0.000 0.000 0.000 3/52800 270.0 51.695 29.296 53.225 -0.000 0.000 0.000 3/52800 280.0 48.912 27.697 50.339 -0.000 0.000 0.000 3/52800 290.0 46.418 26.266 47.756 -0.000 0.000 0.000 3/52800 300.0 44.173 24.979 45.432 -0.000 0.000 0.000 3/52800 310.0 42.143 23.816 43.331 -0.000 0.000 0.000 3/52800 320.0 40.299 22.761 41.423 -0.000 0.000 0.000 3/52800 330.0 38.618 21.799 39.685 -0.000 0.000 0.000 3/52800 340.0 37.079 20.918 38.094 -0.000 0.000 0.000 3/52800 350.0 35.666 20.110 36.632 -0.000 0.000 0.000 3/52800 360.0 34.364 19.365 35.286 -0.000 0.000 0.000 3/52800 370.0 33.161 18.677 34.042 -0.000 0.000 0.000 3/52800 380.0 32.046 18.039 32.888 -0.000 0.000 0.000 3/52800 390.0 31.009 17.446 31.815 -0.000 0.000 0.000 3/52800 400.0 30.043 16.894 30.815 -0.000 0.000 0.000 3/52800 410.0 29.141 16.377 29.881 -0.000 0.000 0.000 3/52800 420.0 28.296 15.894 29.007 -0.000 0.000 0.000 3/52800 430.0 27.503 15.440 28.186 -0.000 0.000 0.000 3/52800 440.0 26.758 15.014 27.414 -0.000 0.000 0.000 3/52800 450.0 26.055 14.612 26.686 -0.000 0.000 0.000 3/52800 460.0 25.393 14.233 26.000 -0.000 0.000 0.000 3/52800 470.0 24.766 13.874 25.350 -0.000 0.000 0.000 3/52800 480.0 24.172 13.535 24.735 -0.000 0.000 0.000 3/52800 490.0 23.609 13.213 24.152 -0.000 0.000 0.000 3/52800 500.0 23.075 12.907 23.598 -0.000 0.000 0.000 3/52800 510.0 22.566 12.616 23.070 -0.000 0.000 0.000 3/52800 520.0 22.081 12.338 22.568 -0.000 0.000 0.000 3/52800 530.0 21.619 12.074 22.089 -0.000 0.000 0.000 3/52800 540.0 21.177 11.822 21.631 -0.000 0.000 0.000 3/52800 550.0 20.755 11.580 21.194 -0.000 0.000 0.000 3/52800 560.0 20.351 11.349 20.775 -0.000 0.000 0.000 3/52800 570.0 19.964 11.128 20.374 -0.000 0.000 0.000 3/52800 580.0 19.592 10.916 19.989 -0.000 0.000 0.000 3/52800 590.0 19.236 10.712 19.619 -0.000 0.000 0.000 3/52800 600.0 18.893 10.517 19.264 -0.000 0.000 0.000 3/52800 610.0 18.563 10.329 18.923 -0.000 0.000 0.000 3/52800 620.0 18.246 10.148 18.594 -0.000 0.000 0.000 3/52800 630.0 17.940 9.973 18.278 -0.000 0.000 0.000 3/52800 640.0 17.645 9.805 17.972 -0.000 0.000 0.000 3/52800 650.0 17.361 9.643 17.678 -0.000 0.000 0.000 3/52800 660.0 17.086 9.486 17.394 -0.000 0.000 0.000 3/52800 670.0 16.820 9.335 17.119 -0.000 0.000 0.000 3/52800 680.0 16.564 9.189 16.853 -0.000 0.000 0.000 3/52800 690.0 16.315 9.048 16.596 -0.000 0.000 0.000 3/52800 700.0 16.075 8.911 16.348 -0.000 0.000 0.000 3/52800 710.0 15.842 8.778 16.107 -0.000 0.000 0.000 3/52800 720.0 15.616 8.650 15.873 -0.000 0.000 0.000 3/52800 730.0 15.397 8.525 15.647 -0.000 0.000 0.000 3/52800 740.0 15.184 8.405 15.427 -0.000 0.000 0.000 3/52800 750.0 14.978 8.288 15.214 -0.000 0.000 0.000 3/52800 760.0 14.777 8.174 15.007 -0.000 0.000 0.000 3/52800 770.0 14.582 8.063 14.806 -0.000 0.000 0.000 3/52800 780.0 14.393 7.956 14.611 -0.000 0.000 0.000 3/52800 790.0 14.209 7.851 14.421 -0.000 0.000 0.000 3/52800 800.0 14.029 7.750 14.236 -0.000 0.000 0.000 3/52800 810.0 13.855 7.651 14.056 -0.000 0.000 0.000 3/52800 820.0 13.685 7.555 13.880 -0.000 0.000 0.000 3/52800 830.0 13.519 7.461 13.710 -0.000 0.000 0.000 3/52800 840.0 13.358 7.370 13.543 -0.000 0.000 0.000 3/52800 850.0 13.200 7.281 13.381 -0.000 0.000 0.000 3/52800 860.0 13.047 7.194 13.223 -0.000 0.000 0.000 3/52800 870.0 12.897 7.109 13.069 -0.000 0.000 0.000 3/52800 880.0 12.750 7.026 12.918 -0.000 0.000 0.000 3/52800 890.0 12.608 6.946 12.771 -0.000 0.000 0.000 3/52800 900.0 12.468 6.867 12.628 -0.000 0.000 0.000 3/52800 910.0 12.332 6.790 12.488 -0.000 0.000 0.000 3/52800 920.0 12.199 6.715 12.351 -0.000 0.000 0.000 3/52800 930.0 12.068 6.642 12.217 -0.000 0.000 0.000 3/52800 940.0 11.941 6.570 12.086 -0.000 0.000 0.000 3/52800 950.0 11.817 6.500 11.958 -0.000 0.000 0.000 3/52800 960.0 11.695 6.431 11.833 -0.000 0.000 0.000 3/52800 970.0 11.576 6.364 11.711 -0.000 0.000 0.000 3/52800 980.0 11.459 6.299 11.591 -0.000 0.000 0.000 3/52800 990.0 11.344 6.234 11.474 -0.000 0.000 0.000 3/52800 1000.0 11.233 6.171 11.359 -0.000 0.000 0.000 3/52800 Thermal conductivity related properties were written into "kappa-m111010.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:41:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|