----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 23:12:49]------------------------- 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 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.771362150006617 0.000000000000000 0.000000000000000 b 0.000000000000000 3.842797270000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): *1 S 0.88869376217918 0.75000000000000 0.53636970069162 32.065 2 S 0.11130623782082 0.25000000000000 0.46363029930838 32.065 *3 S 0.19062157482099 0.75000000000000 0.24925046797917 32.065 4 S 0.80937842517901 0.25000000000000 0.75074953202083 32.065 *5 S 0.51961547325048 0.75000000000000 0.38537996565703 32.065 6 S 0.48038452674951 0.25000000000000 0.61462003434297 32.065 *7 S 0.08259515305468 0.75000000000000 0.90008191534051 32.065 8 S 0.91740484694532 0.25000000000000 0.09991808465949 32.065 *9 S 0.74740371953588 0.25000000000000 0.27762759466333 32.065 10 S 0.25259628046412 0.75000000000000 0.72237240533667 32.065 *11 S 0.39760505254530 0.25000000000000 0.06290940177882 32.065 12 S 0.60239494745470 0.75000000000000 0.93709059822118 32.065 *13 Er 0.83966539170313 0.75000000000000 0.91735386978319 167.259 14 Er 0.16033460829687 0.25000000000000 0.08264613021681 167.259 *15 Er 0.95561522170485 0.75000000000000 0.30861484471300 167.259 16 Er 0.04438477829515 0.25000000000000 0.69138515528700 167.259 *17 Er 0.31760653166548 0.75000000000000 0.49664931823954 167.259 18 Er 0.68239346833452 0.25000000000000 0.50335068176046 167.259 *19 Er 0.56831802136267 0.75000000000000 0.16861847863875 167.259 20 Er 0.43168197863733 0.25000000000000 0.83138152136125 167.259 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.771362150006617 0.000000000000000 0.000000000000000 b 0.000000000000000 3.842797270000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): *1 S 0.88869376217918 0.75000000000000 0.53636970069162 32.065 > 1 2 S 0.11130623782082 0.25000000000000 0.46363029930838 32.065 > 2 *3 S 0.19062157482099 0.75000000000000 0.24925046797917 32.065 > 3 4 S 0.80937842517901 0.25000000000000 0.75074953202083 32.065 > 4 *5 S 0.51961547325048 0.75000000000000 0.38537996565703 32.065 > 5 6 S 0.48038452674951 0.25000000000000 0.61462003434297 32.065 > 6 *7 S 0.08259515305468 0.75000000000000 0.90008191534051 32.065 > 7 8 S 0.91740484694532 0.25000000000000 0.09991808465949 32.065 > 8 *9 S 0.74740371953588 0.25000000000000 0.27762759466333 32.065 > 9 10 S 0.25259628046412 0.75000000000000 0.72237240533667 32.065 > 10 *11 S 0.39760505254530 0.25000000000000 0.06290940177882 32.065 > 11 12 S 0.60239494745470 0.75000000000000 0.93709059822118 32.065 > 12 *13 Er 0.83966539170313 0.75000000000000 0.91735386978319 167.259 > 13 14 Er 0.16033460829687 0.25000000000000 0.08264613021681 167.259 > 14 *15 Er 0.95561522170485 0.75000000000000 0.30861484471300 167.259 > 15 16 Er 0.04438477829515 0.25000000000000 0.69138515528700 167.259 > 16 *17 Er 0.31760653166548 0.75000000000000 0.49664931823954 167.259 > 17 18 Er 0.68239346833452 0.25000000000000 0.50335068176046 167.259 > 18 *19 Er 0.56831802136267 0.75000000000000 0.16861847863875 167.259 > 19 20 Er 0.43168197863733 0.25000000000000 0.83138152136125 167.259 > 20 -------------------------------- super cell -------------------------------- Lattice vectors: a 21.542724300013234 0.000000000000000 0.000000000000000 b 0.000000000000000 11.528391810000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): *1 S 0.44434688108959 0.25000000000000 0.53636970069162 32.065 > 1 2 S 0.94434688108959 0.25000000000000 0.53636970069162 32.065 > 1 3 S 0.44434688108959 0.58333333333333 0.53636970069162 32.065 > 1 4 S 0.94434688108959 0.58333333333333 0.53636970069162 32.065 > 1 5 S 0.44434688108959 0.91666666666667 0.53636970069162 32.065 > 1 6 S 0.94434688108959 0.91666666666667 0.53636970069162 32.065 > 1 7 S 0.05565311891041 0.08333333333333 0.46363029930838 32.065 > 2 8 S 0.55565311891041 0.08333333333333 0.46363029930838 32.065 > 2 9 S 0.05565311891041 0.41666666666667 0.46363029930838 32.065 > 2 10 S 0.55565311891041 0.41666666666667 0.46363029930838 32.065 > 2 11 S 0.05565311891041 0.75000000000000 0.46363029930838 32.065 > 2 12 S 0.55565311891041 0.75000000000000 0.46363029930838 32.065 > 2 *13 S 0.09531078741050 0.25000000000000 0.24925046797917 32.065 > 3 14 S 0.59531078741050 0.25000000000000 0.24925046797917 32.065 > 3 15 S 0.09531078741050 0.58333333333333 0.24925046797917 32.065 > 3 16 S 0.59531078741050 0.58333333333333 0.24925046797917 32.065 > 3 17 S 0.09531078741050 0.91666666666667 0.24925046797917 32.065 > 3 18 S 0.59531078741050 0.91666666666667 0.24925046797917 32.065 > 3 19 S 0.40468921258950 0.08333333333333 0.75074953202083 32.065 > 4 20 S 0.90468921258950 0.08333333333333 0.75074953202083 32.065 > 4 21 S 0.40468921258950 0.41666666666667 0.75074953202083 32.065 > 4 22 S 0.90468921258950 0.41666666666667 0.75074953202083 32.065 > 4 23 S 0.40468921258950 0.75000000000000 0.75074953202083 32.065 > 4 24 S 0.90468921258950 0.75000000000000 0.75074953202083 32.065 > 4 *25 S 0.25980773662524 0.25000000000000 0.38537996565703 32.065 > 5 26 S 0.75980773662524 0.25000000000000 0.38537996565703 32.065 > 5 27 S 0.25980773662524 0.58333333333333 0.38537996565703 32.065 > 5 28 S 0.75980773662524 0.58333333333333 0.38537996565703 32.065 > 5 29 S 0.25980773662524 0.91666666666667 0.38537996565703 32.065 > 5 30 S 0.75980773662524 0.91666666666667 0.38537996565703 32.065 > 5 31 S 0.24019226337476 0.08333333333333 0.61462003434297 32.065 > 6 32 S 0.74019226337476 0.08333333333333 0.61462003434297 32.065 > 6 33 S 0.24019226337476 0.41666666666667 0.61462003434297 32.065 > 6 34 S 0.74019226337476 0.41666666666667 0.61462003434297 32.065 > 6 35 S 0.24019226337476 0.75000000000000 0.61462003434297 32.065 > 6 36 S 0.74019226337476 0.75000000000000 0.61462003434297 32.065 > 6 *37 S 0.04129757652734 0.25000000000000 0.90008191534051 32.065 > 7 38 S 0.54129757652734 0.25000000000000 0.90008191534051 32.065 > 7 39 S 0.04129757652734 0.58333333333333 0.90008191534051 32.065 > 7 40 S 0.54129757652734 0.58333333333333 0.90008191534051 32.065 > 7 41 S 0.04129757652734 0.91666666666667 0.90008191534051 32.065 > 7 42 S 0.54129757652734 0.91666666666667 0.90008191534051 32.065 > 7 43 S 0.45870242347266 0.08333333333333 0.09991808465949 32.065 > 8 44 S 0.95870242347266 0.08333333333333 0.09991808465949 32.065 > 8 45 S 0.45870242347266 0.41666666666667 0.09991808465949 32.065 > 8 46 S 0.95870242347266 0.41666666666667 0.09991808465949 32.065 > 8 47 S 0.45870242347266 0.75000000000000 0.09991808465949 32.065 > 8 48 S 0.95870242347266 0.75000000000000 0.09991808465949 32.065 > 8 *49 S 0.37370185976794 0.08333333333333 0.27762759466333 32.065 > 9 50 S 0.87370185976794 0.08333333333333 0.27762759466333 32.065 > 9 51 S 0.37370185976794 0.41666666666667 0.27762759466333 32.065 > 9 52 S 0.87370185976794 0.41666666666667 0.27762759466333 32.065 > 9 53 S 0.37370185976794 0.75000000000000 0.27762759466333 32.065 > 9 54 S 0.87370185976794 0.75000000000000 0.27762759466333 32.065 > 9 55 S 0.12629814023206 0.25000000000000 0.72237240533667 32.065 > 10 56 S 0.62629814023206 0.25000000000000 0.72237240533667 32.065 > 10 57 S 0.12629814023206 0.58333333333333 0.72237240533667 32.065 > 10 58 S 0.62629814023206 0.58333333333333 0.72237240533667 32.065 > 10 59 S 0.12629814023206 0.91666666666667 0.72237240533667 32.065 > 10 60 S 0.62629814023206 0.91666666666667 0.72237240533667 32.065 > 10 *61 S 0.19880252627265 0.08333333333333 0.06290940177882 32.065 > 11 62 S 0.69880252627265 0.08333333333333 0.06290940177882 32.065 > 11 63 S 0.19880252627265 0.41666666666667 0.06290940177882 32.065 > 11 64 S 0.69880252627265 0.41666666666667 0.06290940177882 32.065 > 11 65 S 0.19880252627265 0.75000000000000 0.06290940177882 32.065 > 11 66 S 0.69880252627265 0.75000000000000 0.06290940177882 32.065 > 11 67 S 0.30119747372735 0.25000000000000 0.93709059822118 32.065 > 12 68 S 0.80119747372735 0.25000000000000 0.93709059822118 32.065 > 12 69 S 0.30119747372735 0.58333333333333 0.93709059822118 32.065 > 12 70 S 0.80119747372735 0.58333333333333 0.93709059822118 32.065 > 12 71 S 0.30119747372735 0.91666666666667 0.93709059822118 32.065 > 12 72 S 0.80119747372735 0.91666666666667 0.93709059822118 32.065 > 12 *73 Er 0.41983269585157 0.25000000000000 0.91735386978319 167.259 > 13 74 Er 0.91983269585157 0.25000000000000 0.91735386978319 167.259 > 13 75 Er 0.41983269585157 0.58333333333333 0.91735386978319 167.259 > 13 76 Er 0.91983269585157 0.58333333333333 0.91735386978319 167.259 > 13 77 Er 0.41983269585157 0.91666666666667 0.91735386978319 167.259 > 13 78 Er 0.91983269585157 0.91666666666667 0.91735386978319 167.259 > 13 79 Er 0.08016730414843 0.08333333333333 0.08264613021681 167.259 > 14 80 Er 0.58016730414843 0.08333333333333 0.08264613021681 167.259 > 14 81 Er 0.08016730414843 0.41666666666667 0.08264613021681 167.259 > 14 82 Er 0.58016730414843 0.41666666666667 0.08264613021681 167.259 > 14 83 Er 0.08016730414843 0.75000000000000 0.08264613021681 167.259 > 14 84 Er 0.58016730414843 0.75000000000000 0.08264613021681 167.259 > 14 *85 Er 0.47780761085242 0.25000000000000 0.30861484471300 167.259 > 15 86 Er 0.97780761085242 0.25000000000000 0.30861484471300 167.259 > 15 87 Er 0.47780761085242 0.58333333333333 0.30861484471300 167.259 > 15 88 Er 0.97780761085242 0.58333333333333 0.30861484471300 167.259 > 15 89 Er 0.47780761085242 0.91666666666667 0.30861484471300 167.259 > 15 90 Er 0.97780761085242 0.91666666666667 0.30861484471300 167.259 > 15 91 Er 0.02219238914758 0.08333333333333 0.69138515528700 167.259 > 16 92 Er 0.52219238914758 0.08333333333333 0.69138515528700 167.259 > 16 93 Er 0.02219238914758 0.41666666666667 0.69138515528700 167.259 > 16 94 Er 0.52219238914758 0.41666666666667 0.69138515528700 167.259 > 16 95 Er 0.02219238914758 0.75000000000000 0.69138515528700 167.259 > 16 96 Er 0.52219238914758 0.75000000000000 0.69138515528700 167.259 > 16 *97 Er 0.15880326583274 0.25000000000000 0.49664931823954 167.259 > 17 98 Er 0.65880326583274 0.25000000000000 0.49664931823954 167.259 > 17 99 Er 0.15880326583274 0.58333333333333 0.49664931823954 167.259 > 17 100 Er 0.65880326583274 0.58333333333333 0.49664931823954 167.259 > 17 101 Er 0.15880326583274 0.91666666666667 0.49664931823954 167.259 > 17 102 Er 0.65880326583274 0.91666666666667 0.49664931823954 167.259 > 17 103 Er 0.34119673416726 0.08333333333333 0.50335068176046 167.259 > 18 104 Er 0.84119673416726 0.08333333333333 0.50335068176046 167.259 > 18 105 Er 0.34119673416726 0.41666666666667 0.50335068176046 167.259 > 18 106 Er 0.84119673416726 0.41666666666667 0.50335068176046 167.259 > 18 107 Er 0.34119673416726 0.75000000000000 0.50335068176046 167.259 > 18 108 Er 0.84119673416726 0.75000000000000 0.50335068176046 167.259 > 18 *109 Er 0.28415901068134 0.25000000000000 0.16861847863875 167.259 > 19 110 Er 0.78415901068134 0.25000000000000 0.16861847863875 167.259 > 19 111 Er 0.28415901068134 0.58333333333333 0.16861847863875 167.259 > 19 112 Er 0.78415901068134 0.58333333333333 0.16861847863875 167.259 > 19 113 Er 0.28415901068134 0.91666666666667 0.16861847863875 167.259 > 19 114 Er 0.78415901068134 0.91666666666667 0.16861847863875 167.259 > 19 115 Er 0.21584098931866 0.08333333333333 0.83138152136125 167.259 > 20 116 Er 0.71584098931866 0.08333333333333 0.83138152136125 167.259 > 20 117 Er 0.21584098931866 0.41666666666667 0.83138152136125 167.259 > 20 118 Er 0.71584098931866 0.41666666666667 0.83138152136125 167.259 > 20 119 Er 0.21584098931866 0.75000000000000 0.83138152136125 167.259 > 20 120 Er 0.71584098931866 0.75000000000000 0.83138152136125 167.259 > 20 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3522350 0.0000000 -0.1091335 0.0000000 7.7369833 0.0000000 -0.1090579 0.0000000 7.6346013 -------------------------- Born effective charges -------------------------- 1 S -2.2145963 0.0000000 -0.3494314 0.0000000 -2.9208046 0.0000000 -0.3772235 0.0000000 -2.2298101 2 S -2.2145963 0.0000000 -0.3494314 0.0000000 -2.9208046 0.0000000 -0.3772235 0.0000000 -2.2298101 3 S -1.8222823 0.0000000 0.1693639 0.0000000 -2.5898936 0.0000000 0.2501649 0.0000000 -3.3527129 4 S -1.8222823 0.0000000 0.1693639 0.0000000 -2.5898936 0.0000000 0.2501649 0.0000000 -3.3527129 5 S -2.5967926 0.0000000 0.4553040 0.0000000 -2.2020577 0.0000000 0.2961598 0.0000000 -2.6061256 6 S -2.5967926 0.0000000 0.4553040 0.0000000 -2.2020577 0.0000000 0.2961598 0.0000000 -2.6061256 7 S -1.8876100 0.0000000 0.2307566 0.0000000 -3.0659580 0.0000000 -0.1103815 0.0000000 -3.0077535 8 S -1.8876100 0.0000000 0.2307566 0.0000000 -3.0659580 0.0000000 -0.1103815 0.0000000 -3.0077535 9 S -2.7122902 0.0000000 -0.4559036 0.0000000 -3.1221804 0.0000000 -0.1619002 0.0000000 -2.0223804 10 S -2.7122902 0.0000000 -0.4559036 0.0000000 -3.1221804 0.0000000 -0.1619002 0.0000000 -2.0223804 11 S -3.3015753 0.0000000 -0.1039609 0.0000000 -2.4658425 0.0000000 -0.1162227 0.0000000 -2.5203979 12 S -3.3015753 0.0000000 -0.1039609 0.0000000 -2.4658425 0.0000000 -0.1162227 0.0000000 -2.5203979 13 Er 3.9756508 0.0000000 -0.2756105 0.0000000 4.4721408 0.0000000 -0.0651552 0.0000000 3.5924906 14 Er 3.9756508 0.0000000 -0.2756105 0.0000000 4.4721408 0.0000000 -0.0651552 0.0000000 3.5924906 15 Er 3.5454233 0.0000000 -0.2124765 0.0000000 4.0412673 0.0000000 -0.3585987 0.0000000 3.7074247 16 Er 3.5454233 0.0000000 -0.2124765 0.0000000 4.0412673 0.0000000 -0.3585987 0.0000000 3.7074247 17 Er 3.8853037 0.0000000 0.1454503 0.0000000 3.5255892 0.0000000 0.5255938 0.0000000 3.7583700 18 Er 3.8853037 0.0000000 0.1454503 0.0000000 3.5255892 0.0000000 0.5255938 0.0000000 3.7583700 19 Er 3.1287687 0.0000000 0.3965082 0.0000000 4.3277395 0.0000000 0.1175634 0.0000000 4.6808952 20 Er 3.1287687 0.0000000 0.3965082 0.0000000 4.3277395 0.0000000 0.1175634 0.0000000 4.6808952 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 640 - Time: 0.761 Solver_block: 200 / 640 - Time: 0.671 Solver_block: 300 / 640 - Time: 0.667 Solver_block: 400 / 640 - Time: 0.673 Solver_block: 500 / 640 - Time: 0.673 Solver_block: 600 / 640 - Time: 0.676 Solver_block: 640 / 640 - Time: 0.356 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.595 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 11220/11220 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2920 Number of blocks in projector: 2920 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 800 / 800 (1) 283 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 17 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (2920, 2871), data: False |-- (400, 400), data: True |-- (400, 400), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 781), data: False |-- (800, 17), data: (800, 36) @ (36, 17) |-- (300, 283), data: True |-- (500, 481), data: False |-- (500, 19), data: (500, 38) @ (38, 19) |-- (250, 231), data: True |-- (250, 231), 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 2026-01-07 23:13:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:23]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.771362150006617 0.000000000000000 0.000000000000000 b 0.000000000000000 3.842797270000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): 1 S 0.88869376217918 0.75000000000000 0.53636970069162 32.065 2 S 0.11130623782082 0.25000000000000 0.46363029930838 32.065 3 S 0.19062157482099 0.75000000000000 0.24925046797917 32.065 4 S 0.80937842517901 0.25000000000000 0.75074953202083 32.065 5 S 0.51961547325048 0.75000000000000 0.38537996565703 32.065 6 S 0.48038452674951 0.25000000000000 0.61462003434297 32.065 7 S 0.08259515305468 0.75000000000000 0.90008191534051 32.065 8 S 0.91740484694532 0.25000000000000 0.09991808465949 32.065 9 S 0.74740371953588 0.25000000000000 0.27762759466333 32.065 10 S 0.25259628046412 0.75000000000000 0.72237240533667 32.065 11 S 0.39760505254530 0.25000000000000 0.06290940177882 32.065 12 S 0.60239494745470 0.75000000000000 0.93709059822118 32.065 13 Er 0.83966539170313 0.75000000000000 0.91735386978319 167.259 14 Er 0.16033460829687 0.25000000000000 0.08264613021681 167.259 15 Er 0.95561522170485 0.75000000000000 0.30861484471300 167.259 16 Er 0.04438477829515 0.25000000000000 0.69138515528700 167.259 17 Er 0.31760653166548 0.75000000000000 0.49664931823954 167.259 18 Er 0.68239346833452 0.25000000000000 0.50335068176046 167.259 19 Er 0.56831802136267 0.75000000000000 0.16861847863875 167.259 20 Er 0.43168197863733 0.25000000000000 0.83138152136125 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.542724300013234 0.000000000000000 0.000000000000000 b 0.000000000000000 11.528391810000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): 1 S 0.44434688108959 0.25000000000000 0.53636970069162 32.065 > 1 2 S 0.94434688108959 0.25000000000000 0.53636970069162 32.065 > 1 3 S 0.44434688108959 0.58333333333333 0.53636970069162 32.065 > 1 4 S 0.94434688108959 0.58333333333333 0.53636970069162 32.065 > 1 5 S 0.44434688108959 0.91666666666667 0.53636970069162 32.065 > 1 6 S 0.94434688108959 0.91666666666667 0.53636970069162 32.065 > 1 7 S 0.05565311891041 0.08333333333333 0.46363029930838 32.065 > 7 8 S 0.55565311891041 0.08333333333333 0.46363029930838 32.065 > 7 9 S 0.05565311891041 0.41666666666667 0.46363029930838 32.065 > 7 10 S 0.55565311891041 0.41666666666667 0.46363029930838 32.065 > 7 11 S 0.05565311891041 0.75000000000000 0.46363029930838 32.065 > 7 12 S 0.55565311891041 0.75000000000000 0.46363029930838 32.065 > 7 13 S 0.09531078741050 0.25000000000000 0.24925046797917 32.065 > 13 14 S 0.59531078741050 0.25000000000000 0.24925046797917 32.065 > 13 15 S 0.09531078741050 0.58333333333333 0.24925046797917 32.065 > 13 16 S 0.59531078741050 0.58333333333333 0.24925046797917 32.065 > 13 17 S 0.09531078741050 0.91666666666667 0.24925046797917 32.065 > 13 18 S 0.59531078741050 0.91666666666667 0.24925046797917 32.065 > 13 19 S 0.40468921258950 0.08333333333333 0.75074953202083 32.065 > 19 20 S 0.90468921258950 0.08333333333333 0.75074953202083 32.065 > 19 21 S 0.40468921258950 0.41666666666667 0.75074953202083 32.065 > 19 22 S 0.90468921258950 0.41666666666667 0.75074953202083 32.065 > 19 23 S 0.40468921258950 0.75000000000000 0.75074953202083 32.065 > 19 24 S 0.90468921258950 0.75000000000000 0.75074953202083 32.065 > 19 25 S 0.25980773662524 0.25000000000000 0.38537996565703 32.065 > 25 26 S 0.75980773662524 0.25000000000000 0.38537996565703 32.065 > 25 27 S 0.25980773662524 0.58333333333333 0.38537996565703 32.065 > 25 28 S 0.75980773662524 0.58333333333333 0.38537996565703 32.065 > 25 29 S 0.25980773662524 0.91666666666667 0.38537996565703 32.065 > 25 30 S 0.75980773662524 0.91666666666667 0.38537996565703 32.065 > 25 31 S 0.24019226337476 0.08333333333333 0.61462003434297 32.065 > 31 32 S 0.74019226337476 0.08333333333333 0.61462003434297 32.065 > 31 33 S 0.24019226337476 0.41666666666667 0.61462003434297 32.065 > 31 34 S 0.74019226337476 0.41666666666667 0.61462003434297 32.065 > 31 35 S 0.24019226337476 0.75000000000000 0.61462003434297 32.065 > 31 36 S 0.74019226337476 0.75000000000000 0.61462003434297 32.065 > 31 37 S 0.04129757652734 0.25000000000000 0.90008191534051 32.065 > 37 38 S 0.54129757652734 0.25000000000000 0.90008191534051 32.065 > 37 39 S 0.04129757652734 0.58333333333333 0.90008191534051 32.065 > 37 40 S 0.54129757652734 0.58333333333333 0.90008191534051 32.065 > 37 41 S 0.04129757652734 0.91666666666667 0.90008191534051 32.065 > 37 42 S 0.54129757652734 0.91666666666667 0.90008191534051 32.065 > 37 43 S 0.45870242347266 0.08333333333333 0.09991808465949 32.065 > 43 44 S 0.95870242347266 0.08333333333333 0.09991808465949 32.065 > 43 45 S 0.45870242347266 0.41666666666667 0.09991808465949 32.065 > 43 46 S 0.95870242347266 0.41666666666667 0.09991808465949 32.065 > 43 47 S 0.45870242347266 0.75000000000000 0.09991808465949 32.065 > 43 48 S 0.95870242347266 0.75000000000000 0.09991808465949 32.065 > 43 49 S 0.37370185976794 0.08333333333333 0.27762759466333 32.065 > 49 50 S 0.87370185976794 0.08333333333333 0.27762759466333 32.065 > 49 51 S 0.37370185976794 0.41666666666667 0.27762759466333 32.065 > 49 52 S 0.87370185976794 0.41666666666667 0.27762759466333 32.065 > 49 53 S 0.37370185976794 0.75000000000000 0.27762759466333 32.065 > 49 54 S 0.87370185976794 0.75000000000000 0.27762759466333 32.065 > 49 55 S 0.12629814023206 0.25000000000000 0.72237240533667 32.065 > 55 56 S 0.62629814023206 0.25000000000000 0.72237240533667 32.065 > 55 57 S 0.12629814023206 0.58333333333333 0.72237240533667 32.065 > 55 58 S 0.62629814023206 0.58333333333333 0.72237240533667 32.065 > 55 59 S 0.12629814023206 0.91666666666667 0.72237240533667 32.065 > 55 60 S 0.62629814023206 0.91666666666667 0.72237240533667 32.065 > 55 61 S 0.19880252627265 0.08333333333333 0.06290940177882 32.065 > 61 62 S 0.69880252627265 0.08333333333333 0.06290940177882 32.065 > 61 63 S 0.19880252627265 0.41666666666667 0.06290940177882 32.065 > 61 64 S 0.69880252627265 0.41666666666667 0.06290940177882 32.065 > 61 65 S 0.19880252627265 0.75000000000000 0.06290940177882 32.065 > 61 66 S 0.69880252627265 0.75000000000000 0.06290940177882 32.065 > 61 67 S 0.30119747372735 0.25000000000000 0.93709059822118 32.065 > 67 68 S 0.80119747372735 0.25000000000000 0.93709059822118 32.065 > 67 69 S 0.30119747372735 0.58333333333333 0.93709059822118 32.065 > 67 70 S 0.80119747372735 0.58333333333333 0.93709059822118 32.065 > 67 71 S 0.30119747372735 0.91666666666667 0.93709059822118 32.065 > 67 72 S 0.80119747372735 0.91666666666667 0.93709059822118 32.065 > 67 73 Er 0.41983269585157 0.25000000000000 0.91735386978319 167.259 > 73 74 Er 0.91983269585157 0.25000000000000 0.91735386978319 167.259 > 73 75 Er 0.41983269585157 0.58333333333333 0.91735386978319 167.259 > 73 76 Er 0.91983269585157 0.58333333333333 0.91735386978319 167.259 > 73 77 Er 0.41983269585157 0.91666666666667 0.91735386978319 167.259 > 73 78 Er 0.91983269585157 0.91666666666667 0.91735386978319 167.259 > 73 79 Er 0.08016730414843 0.08333333333333 0.08264613021681 167.259 > 79 80 Er 0.58016730414843 0.08333333333333 0.08264613021681 167.259 > 79 81 Er 0.08016730414843 0.41666666666667 0.08264613021681 167.259 > 79 82 Er 0.58016730414843 0.41666666666667 0.08264613021681 167.259 > 79 83 Er 0.08016730414843 0.75000000000000 0.08264613021681 167.259 > 79 84 Er 0.58016730414843 0.75000000000000 0.08264613021681 167.259 > 79 85 Er 0.47780761085242 0.25000000000000 0.30861484471300 167.259 > 85 86 Er 0.97780761085242 0.25000000000000 0.30861484471300 167.259 > 85 87 Er 0.47780761085242 0.58333333333333 0.30861484471300 167.259 > 85 88 Er 0.97780761085242 0.58333333333333 0.30861484471300 167.259 > 85 89 Er 0.47780761085242 0.91666666666667 0.30861484471300 167.259 > 85 90 Er 0.97780761085242 0.91666666666667 0.30861484471300 167.259 > 85 91 Er 0.02219238914758 0.08333333333333 0.69138515528700 167.259 > 91 92 Er 0.52219238914758 0.08333333333333 0.69138515528700 167.259 > 91 93 Er 0.02219238914758 0.41666666666667 0.69138515528700 167.259 > 91 94 Er 0.52219238914758 0.41666666666667 0.69138515528700 167.259 > 91 95 Er 0.02219238914758 0.75000000000000 0.69138515528700 167.259 > 91 96 Er 0.52219238914758 0.75000000000000 0.69138515528700 167.259 > 91 97 Er 0.15880326583274 0.25000000000000 0.49664931823954 167.259 > 97 98 Er 0.65880326583274 0.25000000000000 0.49664931823954 167.259 > 97 99 Er 0.15880326583274 0.58333333333333 0.49664931823954 167.259 > 97 100 Er 0.65880326583274 0.58333333333333 0.49664931823954 167.259 > 97 101 Er 0.15880326583274 0.91666666666667 0.49664931823954 167.259 > 97 102 Er 0.65880326583274 0.91666666666667 0.49664931823954 167.259 > 97 103 Er 0.34119673416726 0.08333333333333 0.50335068176046 167.259 > 103 104 Er 0.84119673416726 0.08333333333333 0.50335068176046 167.259 > 103 105 Er 0.34119673416726 0.41666666666667 0.50335068176046 167.259 > 103 106 Er 0.84119673416726 0.41666666666667 0.50335068176046 167.259 > 103 107 Er 0.34119673416726 0.75000000000000 0.50335068176046 167.259 > 103 108 Er 0.84119673416726 0.75000000000000 0.50335068176046 167.259 > 103 109 Er 0.28415901068134 0.25000000000000 0.16861847863875 167.259 > 109 110 Er 0.78415901068134 0.25000000000000 0.16861847863875 167.259 > 109 111 Er 0.28415901068134 0.58333333333333 0.16861847863875 167.259 > 109 112 Er 0.78415901068134 0.58333333333333 0.16861847863875 167.259 > 109 113 Er 0.28415901068134 0.91666666666667 0.16861847863875 167.259 > 109 114 Er 0.78415901068134 0.91666666666667 0.16861847863875 167.259 > 109 115 Er 0.21584098931866 0.08333333333333 0.83138152136125 167.259 > 115 116 Er 0.71584098931866 0.08333333333333 0.83138152136125 167.259 > 115 117 Er 0.21584098931866 0.41666666666667 0.83138152136125 167.259 > 115 118 Er 0.71584098931866 0.41666666666667 0.83138152136125 167.259 > 115 119 Er 0.21584098931866 0.75000000000000 0.83138152136125 167.259 > 115 120 Er 0.71584098931866 0.75000000000000 0.83138152136125 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.3522350 0.0000000 -0.1091335 0.0000000 7.7369833 0.0000000 -0.1090579 0.0000000 7.6346013 -------------------------- Born effective charges -------------------------- 1 S -2.2145963 0.0000000 -0.3494314 0.0000000 -2.9208046 0.0000000 -0.3772235 0.0000000 -2.2298101 2 S -2.2145963 0.0000000 -0.3494314 0.0000000 -2.9208046 0.0000000 -0.3772235 0.0000000 -2.2298101 3 S -1.8222823 0.0000000 0.1693639 0.0000000 -2.5898936 0.0000000 0.2501649 0.0000000 -3.3527129 4 S -1.8222823 0.0000000 0.1693639 0.0000000 -2.5898936 0.0000000 0.2501649 0.0000000 -3.3527129 5 S -2.5967926 0.0000000 0.4553040 0.0000000 -2.2020577 0.0000000 0.2961598 0.0000000 -2.6061256 6 S -2.5967926 0.0000000 0.4553040 0.0000000 -2.2020577 0.0000000 0.2961598 0.0000000 -2.6061256 7 S -1.8876100 0.0000000 0.2307566 0.0000000 -3.0659580 0.0000000 -0.1103815 0.0000000 -3.0077535 8 S -1.8876100 0.0000000 0.2307566 0.0000000 -3.0659580 0.0000000 -0.1103815 0.0000000 -3.0077535 9 S -2.7122902 0.0000000 -0.4559036 0.0000000 -3.1221804 0.0000000 -0.1619002 0.0000000 -2.0223804 10 S -2.7122902 0.0000000 -0.4559036 0.0000000 -3.1221804 0.0000000 -0.1619002 0.0000000 -2.0223804 11 S -3.3015753 0.0000000 -0.1039609 0.0000000 -2.4658425 0.0000000 -0.1162227 0.0000000 -2.5203979 12 S -3.3015753 0.0000000 -0.1039609 0.0000000 -2.4658425 0.0000000 -0.1162227 0.0000000 -2.5203979 13 Er 3.9756508 0.0000000 -0.2756105 0.0000000 4.4721408 0.0000000 -0.0651552 0.0000000 3.5924906 14 Er 3.9756508 0.0000000 -0.2756105 0.0000000 4.4721408 0.0000000 -0.0651552 0.0000000 3.5924906 15 Er 3.5454233 0.0000000 -0.2124765 0.0000000 4.0412673 0.0000000 -0.3585987 0.0000000 3.7074247 16 Er 3.5454233 0.0000000 -0.2124765 0.0000000 4.0412673 0.0000000 -0.3585987 0.0000000 3.7074247 17 Er 3.8853037 0.0000000 0.1454503 0.0000000 3.5255892 0.0000000 0.5255938 0.0000000 3.7583700 18 Er 3.8853037 0.0000000 0.1454503 0.0000000 3.5255892 0.0000000 0.5255938 0.0000000 3.7583700 19 Er 3.1287687 0.0000000 0.3965082 0.0000000 4.3277395 0.0000000 0.1175634 0.0000000 4.6808952 20 Er 3.1287687 0.0000000 0.3965082 0.0000000 4.3277395 0.0000000 0.1175634 0.0000000 4.6808952 ---------------------------------------------------------------------------- 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 13, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 85, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 97, 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] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Computing fc3[ 109, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0032 0.0000 0.0095] [ 0.0032 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:13:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 23:13:58]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/m (11) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.771362150006617 0.000000000000000 0.000000000000000 b 0.000000000000000 3.842797270000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): 1 S 0.88869376217918 0.75000000000000 0.53636970069162 32.065 2 S 0.11130623782082 0.25000000000000 0.46363029930838 32.065 3 S 0.19062157482099 0.75000000000000 0.24925046797917 32.065 4 S 0.80937842517901 0.25000000000000 0.75074953202083 32.065 5 S 0.51961547325048 0.75000000000000 0.38537996565703 32.065 6 S 0.48038452674951 0.25000000000000 0.61462003434297 32.065 7 S 0.08259515305468 0.75000000000000 0.90008191534051 32.065 8 S 0.91740484694532 0.25000000000000 0.09991808465949 32.065 9 S 0.74740371953588 0.25000000000000 0.27762759466333 32.065 10 S 0.25259628046412 0.75000000000000 0.72237240533667 32.065 11 S 0.39760505254530 0.25000000000000 0.06290940177882 32.065 12 S 0.60239494745470 0.75000000000000 0.93709059822118 32.065 13 Er 0.83966539170313 0.75000000000000 0.91735386978319 167.259 14 Er 0.16033460829687 0.25000000000000 0.08264613021681 167.259 15 Er 0.95561522170485 0.75000000000000 0.30861484471300 167.259 16 Er 0.04438477829515 0.25000000000000 0.69138515528700 167.259 17 Er 0.31760653166548 0.75000000000000 0.49664931823954 167.259 18 Er 0.68239346833452 0.25000000000000 0.50335068176046 167.259 19 Er 0.56831802136267 0.75000000000000 0.16861847863875 167.259 20 Er 0.43168197863733 0.25000000000000 0.83138152136125 167.259 -------------------------------- supercell --------------------------------- Lattice vectors: a 21.542724300013234 0.000000000000000 0.000000000000000 b 0.000000000000000 11.528391810000000 0.000000000000000 c -3.575428532112231 0.000000000000000 10.466543456662139 Atomic positions (fractional): 1 S 0.44434688108959 0.25000000000000 0.53636970069162 32.065 > 1 2 S 0.94434688108959 0.25000000000000 0.53636970069162 32.065 > 1 3 S 0.44434688108959 0.58333333333333 0.53636970069162 32.065 > 1 4 S 0.94434688108959 0.58333333333333 0.53636970069162 32.065 > 1 5 S 0.44434688108959 0.91666666666667 0.53636970069162 32.065 > 1 6 S 0.94434688108959 0.91666666666667 0.53636970069162 32.065 > 1 7 S 0.05565311891041 0.08333333333333 0.46363029930838 32.065 > 7 8 S 0.55565311891041 0.08333333333333 0.46363029930838 32.065 > 7 9 S 0.05565311891041 0.41666666666667 0.46363029930838 32.065 > 7 10 S 0.55565311891041 0.41666666666667 0.46363029930838 32.065 > 7 11 S 0.05565311891041 0.75000000000000 0.46363029930838 32.065 > 7 12 S 0.55565311891041 0.75000000000000 0.46363029930838 32.065 > 7 13 S 0.09531078741050 0.25000000000000 0.24925046797917 32.065 > 13 14 S 0.59531078741050 0.25000000000000 0.24925046797917 32.065 > 13 15 S 0.09531078741050 0.58333333333333 0.24925046797917 32.065 > 13 16 S 0.59531078741050 0.58333333333333 0.24925046797917 32.065 > 13 17 S 0.09531078741050 0.91666666666667 0.24925046797917 32.065 > 13 18 S 0.59531078741050 0.91666666666667 0.24925046797917 32.065 > 13 19 S 0.40468921258950 0.08333333333333 0.75074953202083 32.065 > 19 20 S 0.90468921258950 0.08333333333333 0.75074953202083 32.065 > 19 21 S 0.40468921258950 0.41666666666667 0.75074953202083 32.065 > 19 22 S 0.90468921258950 0.41666666666667 0.75074953202083 32.065 > 19 23 S 0.40468921258950 0.75000000000000 0.75074953202083 32.065 > 19 24 S 0.90468921258950 0.75000000000000 0.75074953202083 32.065 > 19 25 S 0.25980773662524 0.25000000000000 0.38537996565703 32.065 > 25 26 S 0.75980773662524 0.25000000000000 0.38537996565703 32.065 > 25 27 S 0.25980773662524 0.58333333333333 0.38537996565703 32.065 > 25 28 S 0.75980773662524 0.58333333333333 0.38537996565703 32.065 > 25 29 S 0.25980773662524 0.91666666666667 0.38537996565703 32.065 > 25 30 S 0.75980773662524 0.91666666666667 0.38537996565703 32.065 > 25 31 S 0.24019226337476 0.08333333333333 0.61462003434297 32.065 > 31 32 S 0.74019226337476 0.08333333333333 0.61462003434297 32.065 > 31 33 S 0.24019226337476 0.41666666666667 0.61462003434297 32.065 > 31 34 S 0.74019226337476 0.41666666666667 0.61462003434297 32.065 > 31 35 S 0.24019226337476 0.75000000000000 0.61462003434297 32.065 > 31 36 S 0.74019226337476 0.75000000000000 0.61462003434297 32.065 > 31 37 S 0.04129757652734 0.25000000000000 0.90008191534051 32.065 > 37 38 S 0.54129757652734 0.25000000000000 0.90008191534051 32.065 > 37 39 S 0.04129757652734 0.58333333333333 0.90008191534051 32.065 > 37 40 S 0.54129757652734 0.58333333333333 0.90008191534051 32.065 > 37 41 S 0.04129757652734 0.91666666666667 0.90008191534051 32.065 > 37 42 S 0.54129757652734 0.91666666666667 0.90008191534051 32.065 > 37 43 S 0.45870242347266 0.08333333333333 0.09991808465949 32.065 > 43 44 S 0.95870242347266 0.08333333333333 0.09991808465949 32.065 > 43 45 S 0.45870242347266 0.41666666666667 0.09991808465949 32.065 > 43 46 S 0.95870242347266 0.41666666666667 0.09991808465949 32.065 > 43 47 S 0.45870242347266 0.75000000000000 0.09991808465949 32.065 > 43 48 S 0.95870242347266 0.75000000000000 0.09991808465949 32.065 > 43 49 S 0.37370185976794 0.08333333333333 0.27762759466333 32.065 > 49 50 S 0.87370185976794 0.08333333333333 0.27762759466333 32.065 > 49 51 S 0.37370185976794 0.41666666666667 0.27762759466333 32.065 > 49 52 S 0.87370185976794 0.41666666666667 0.27762759466333 32.065 > 49 53 S 0.37370185976794 0.75000000000000 0.27762759466333 32.065 > 49 54 S 0.87370185976794 0.75000000000000 0.27762759466333 32.065 > 49 55 S 0.12629814023206 0.25000000000000 0.72237240533667 32.065 > 55 56 S 0.62629814023206 0.25000000000000 0.72237240533667 32.065 > 55 57 S 0.12629814023206 0.58333333333333 0.72237240533667 32.065 > 55 58 S 0.62629814023206 0.58333333333333 0.72237240533667 32.065 > 55 59 S 0.12629814023206 0.91666666666667 0.72237240533667 32.065 > 55 60 S 0.62629814023206 0.91666666666667 0.72237240533667 32.065 > 55 61 S 0.19880252627265 0.08333333333333 0.06290940177882 32.065 > 61 62 S 0.69880252627265 0.08333333333333 0.06290940177882 32.065 > 61 63 S 0.19880252627265 0.41666666666667 0.06290940177882 32.065 > 61 64 S 0.69880252627265 0.41666666666667 0.06290940177882 32.065 > 61 65 S 0.19880252627265 0.75000000000000 0.06290940177882 32.065 > 61 66 S 0.69880252627265 0.75000000000000 0.06290940177882 32.065 > 61 67 S 0.30119747372735 0.25000000000000 0.93709059822118 32.065 > 67 68 S 0.80119747372735 0.25000000000000 0.93709059822118 32.065 > 67 69 S 0.30119747372735 0.58333333333333 0.93709059822118 32.065 > 67 70 S 0.80119747372735 0.58333333333333 0.93709059822118 32.065 > 67 71 S 0.30119747372735 0.91666666666667 0.93709059822118 32.065 > 67 72 S 0.80119747372735 0.91666666666667 0.93709059822118 32.065 > 67 73 Er 0.41983269585157 0.25000000000000 0.91735386978319 167.259 > 73 74 Er 0.91983269585157 0.25000000000000 0.91735386978319 167.259 > 73 75 Er 0.41983269585157 0.58333333333333 0.91735386978319 167.259 > 73 76 Er 0.91983269585157 0.58333333333333 0.91735386978319 167.259 > 73 77 Er 0.41983269585157 0.91666666666667 0.91735386978319 167.259 > 73 78 Er 0.91983269585157 0.91666666666667 0.91735386978319 167.259 > 73 79 Er 0.08016730414843 0.08333333333333 0.08264613021681 167.259 > 79 80 Er 0.58016730414843 0.08333333333333 0.08264613021681 167.259 > 79 81 Er 0.08016730414843 0.41666666666667 0.08264613021681 167.259 > 79 82 Er 0.58016730414843 0.41666666666667 0.08264613021681 167.259 > 79 83 Er 0.08016730414843 0.75000000000000 0.08264613021681 167.259 > 79 84 Er 0.58016730414843 0.75000000000000 0.08264613021681 167.259 > 79 85 Er 0.47780761085242 0.25000000000000 0.30861484471300 167.259 > 85 86 Er 0.97780761085242 0.25000000000000 0.30861484471300 167.259 > 85 87 Er 0.47780761085242 0.58333333333333 0.30861484471300 167.259 > 85 88 Er 0.97780761085242 0.58333333333333 0.30861484471300 167.259 > 85 89 Er 0.47780761085242 0.91666666666667 0.30861484471300 167.259 > 85 90 Er 0.97780761085242 0.91666666666667 0.30861484471300 167.259 > 85 91 Er 0.02219238914758 0.08333333333333 0.69138515528700 167.259 > 91 92 Er 0.52219238914758 0.08333333333333 0.69138515528700 167.259 > 91 93 Er 0.02219238914758 0.41666666666667 0.69138515528700 167.259 > 91 94 Er 0.52219238914758 0.41666666666667 0.69138515528700 167.259 > 91 95 Er 0.02219238914758 0.75000000000000 0.69138515528700 167.259 > 91 96 Er 0.52219238914758 0.75000000000000 0.69138515528700 167.259 > 91 97 Er 0.15880326583274 0.25000000000000 0.49664931823954 167.259 > 97 98 Er 0.65880326583274 0.25000000000000 0.49664931823954 167.259 > 97 99 Er 0.15880326583274 0.58333333333333 0.49664931823954 167.259 > 97 100 Er 0.65880326583274 0.58333333333333 0.49664931823954 167.259 > 97 101 Er 0.15880326583274 0.91666666666667 0.49664931823954 167.259 > 97 102 Er 0.65880326583274 0.91666666666667 0.49664931823954 167.259 > 97 103 Er 0.34119673416726 0.08333333333333 0.50335068176046 167.259 > 103 104 Er 0.84119673416726 0.08333333333333 0.50335068176046 167.259 > 103 105 Er 0.34119673416726 0.41666666666667 0.50335068176046 167.259 > 103 106 Er 0.84119673416726 0.41666666666667 0.50335068176046 167.259 > 103 107 Er 0.34119673416726 0.75000000000000 0.50335068176046 167.259 > 103 108 Er 0.84119673416726 0.75000000000000 0.50335068176046 167.259 > 103 109 Er 0.28415901068134 0.25000000000000 0.16861847863875 167.259 > 109 110 Er 0.78415901068134 0.25000000000000 0.16861847863875 167.259 > 109 111 Er 0.28415901068134 0.58333333333333 0.16861847863875 167.259 > 109 112 Er 0.78415901068134 0.58333333333333 0.16861847863875 167.259 > 109 113 Er 0.28415901068134 0.91666666666667 0.16861847863875 167.259 > 109 114 Er 0.78415901068134 0.91666666666667 0.16861847863875 167.259 > 109 115 Er 0.21584098931866 0.08333333333333 0.83138152136125 167.259 > 115 116 Er 0.71584098931866 0.08333333333333 0.83138152136125 167.259 > 115 117 Er 0.21584098931866 0.41666666666667 0.83138152136125 167.259 > 115 118 Er 0.71584098931866 0.41666666666667 0.83138152136125 167.259 > 115 119 Er 0.21584098931866 0.75000000000000 0.83138152136125 167.259 > 115 120 Er 0.71584098931866 0.75000000000000 0.83138152136125 167.259 > 115 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.3522350 0.0000000 -0.1091335 0.0000000 7.7369833 0.0000000 -0.1090579 0.0000000 7.6346013 -------------------------- Born effective charges -------------------------- 1 S -2.2145963 0.0000000 -0.3494314 0.0000000 -2.9208046 0.0000000 -0.3772235 0.0000000 -2.2298101 2 S -2.2145963 0.0000000 -0.3494314 0.0000000 -2.9208046 0.0000000 -0.3772235 0.0000000 -2.2298101 3 S -1.8222823 0.0000000 0.1693639 0.0000000 -2.5898936 0.0000000 0.2501649 0.0000000 -3.3527129 4 S -1.8222823 0.0000000 0.1693639 0.0000000 -2.5898936 0.0000000 0.2501649 0.0000000 -3.3527129 5 S -2.5967926 0.0000000 0.4553040 0.0000000 -2.2020577 0.0000000 0.2961598 0.0000000 -2.6061256 6 S -2.5967926 0.0000000 0.4553040 0.0000000 -2.2020577 0.0000000 0.2961598 0.0000000 -2.6061256 7 S -1.8876100 0.0000000 0.2307566 0.0000000 -3.0659580 0.0000000 -0.1103815 0.0000000 -3.0077535 8 S -1.8876100 0.0000000 0.2307566 0.0000000 -3.0659580 0.0000000 -0.1103815 0.0000000 -3.0077535 9 S -2.7122902 0.0000000 -0.4559036 0.0000000 -3.1221804 0.0000000 -0.1619002 0.0000000 -2.0223804 10 S -2.7122902 0.0000000 -0.4559036 0.0000000 -3.1221804 0.0000000 -0.1619002 0.0000000 -2.0223804 11 S -3.3015753 0.0000000 -0.1039609 0.0000000 -2.4658425 0.0000000 -0.1162227 0.0000000 -2.5203979 12 S -3.3015753 0.0000000 -0.1039609 0.0000000 -2.4658425 0.0000000 -0.1162227 0.0000000 -2.5203979 13 Er 3.9756508 0.0000000 -0.2756105 0.0000000 4.4721408 0.0000000 -0.0651552 0.0000000 3.5924906 14 Er 3.9756508 0.0000000 -0.2756105 0.0000000 4.4721408 0.0000000 -0.0651552 0.0000000 3.5924906 15 Er 3.5454233 0.0000000 -0.2124765 0.0000000 4.0412673 0.0000000 -0.3585987 0.0000000 3.7074247 16 Er 3.5454233 0.0000000 -0.2124765 0.0000000 4.0412673 0.0000000 -0.3585987 0.0000000 3.7074247 17 Er 3.8853037 0.0000000 0.1454503 0.0000000 3.5255892 0.0000000 0.5255938 0.0000000 3.7583700 18 Er 3.8853037 0.0000000 0.1454503 0.0000000 3.5255892 0.0000000 0.5255938 0.0000000 3.7583700 19 Er 3.1287687 0.0000000 0.3965082 0.0000000 4.3277395 0.0000000 0.1175634 0.0000000 4.6808952 20 Er 3.1287687 0.0000000 0.3965082 0.0000000 4.3277395 0.0000000 0.1175634 0.0000000 4.6808952 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (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 ... [ 5 13 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 293, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.767 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.037 ( 0.000 0.000 0.000) 0.000 2.044 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.921 ( 0.000 0.000 0.000) 0.000 3.388 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.474 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.781 ( 0.000 0.000 0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.556 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.429 ( 0.000 0.000 0.000) 0.000 5.475 ( 0.000 0.000 0.000) 0.000 5.652 ( 0.000 0.000 0.000) 0.000 5.705 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.099 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.169 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.401 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.655 ( 0.000 0.000 0.000) 0.000 6.677 ( 0.000 0.000 0.000) 0.000 6.814 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 6.945 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 7.068 ( 0.000 0.000 0.000) 0.000 7.177 ( 0.000 0.000 0.000) 0.000 7.293 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.465 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.820 ( 0.000 0.000 0.000) 0.000 7.957 ( 0.000 0.000 0.000) 0.000 8.505 ( 0.000 0.000 0.000) 0.000 8.600 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 0.000) 0.000 9.399 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 0.000) 0.000 10.323 ( 0.000 0.000 0.000) 0.000 10.638 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 15.001 0.000 9.706) 17.867 0.445 ( 20.541 0.000 8.721) 22.315 0.882 ( 41.761 0.000 13.200) 43.797 1.018 ( -0.013 0.000 -1.646) 1.646 1.613 ( -6.657 0.000 -12.798) 14.426 1.651 ( -3.293 0.000 -6.501) 7.288 1.688 ( -8.296 0.000 -9.048) 12.276 1.697 ( -2.780 0.000 3.666) 4.601 1.983 ( 2.047 0.000 2.191) 2.999 2.032 ( 0.445 0.000 0.098) 0.455 2.081 ( 2.495 0.000 0.082) 2.496 2.123 ( 3.925 0.000 8.790) 9.627 2.201 ( -1.597 0.000 -0.856) 1.812 2.212 ( -8.854 0.000 12.362) 15.206 2.382 ( 4.197 0.000 3.547) 5.495 2.620 ( -5.210 0.000 -3.789) 6.442 2.943 ( -5.948 0.000 -12.354) 13.711 3.162 ( -12.790 0.000 -11.741) 17.362 3.470 ( 1.723 0.000 7.538) 7.733 3.554 ( 3.847 0.000 3.032) 4.899 3.800 ( 7.299 0.000 0.975) 7.364 3.875 ( 5.055 0.000 3.834) 6.345 4.005 ( 0.525 0.000 3.459) 3.498 4.515 ( -3.237 0.000 -4.303) 5.385 5.253 ( -0.162 0.000 1.281) 1.292 5.468 ( -0.326 0.000 -10.545) 10.550 5.471 ( -0.481 0.000 0.143) 0.502 5.727 ( 1.783 0.000 1.561) 2.370 5.919 ( -2.995 0.000 10.152) 10.585 5.978 ( -2.815 0.000 -4.145) 5.011 6.076 ( -0.538 0.000 -2.822) 2.873 6.132 ( -1.335 0.000 -2.949) 3.237 6.207 ( 2.449 0.000 2.027) 3.179 6.400 ( 0.252 0.000 3.021) 3.031 6.607 ( -2.160 0.000 -3.022) 3.714 6.642 ( -2.164 0.000 4.551) 5.039 6.718 ( 2.599 0.000 -0.645) 2.678 6.723 ( -4.922 0.000 6.477) 8.135 6.818 ( -0.238 0.000 1.834) 1.849 6.951 ( -0.551 0.000 -0.850) 1.013 7.033 ( 3.878 0.000 6.180) 7.296 7.062 ( -1.807 0.000 3.863) 4.265 7.145 ( 4.390 0.000 -4.307) 6.150 7.296 ( 0.156 0.000 0.261) 0.304 7.380 ( -0.063 0.000 -0.184) 0.194 7.424 ( -5.543 0.000 -2.949) 6.278 7.467 ( 0.196 0.000 0.011) 0.196 7.749 ( 2.091 0.000 -5.193) 5.598 7.799 ( -1.150 0.000 -1.258) 1.705 8.018 ( 5.035 0.000 5.041) 7.125 8.338 ( 1.396 0.000 3.799) 4.047 8.534 ( -6.467 0.000 -1.295) 6.596 8.656 ( -0.606 0.000 3.625) 3.676 9.025 ( 0.144 0.000 -2.781) 2.784 9.093 ( -1.146 0.000 9.670) 9.737 9.350 ( 0.692 0.000 -2.578) 2.669 9.786 ( 9.290 0.000 -27.892) 29.399 10.170 ( 0.183 0.000 0.482) 0.516 10.459 ( -7.016 0.000 20.216) 21.398 10.627 ( -1.217 0.000 0.424) 1.289 ======================= Grid point 2 (3/91) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 7.321 0.000 5.239) 9.003 0.857 ( 16.454 0.000 8.856) 18.686 1.001 ( -0.436 0.000 -1.861) 1.912 1.319 ( -12.740 0.000 -11.496) 17.160 1.549 ( -3.054 0.000 -2.507) 3.952 1.594 ( 15.726 0.000 -2.169) 15.875 1.674 ( -0.975 0.000 0.672) 1.184 1.767 ( 28.039 0.000 10.416) 29.911 1.920 ( -16.923 0.000 2.018) 17.043 2.019 ( 0.529 0.000 0.353) 0.636 2.065 ( 1.872 0.000 2.418) 3.058 2.119 ( 1.941 0.000 -1.595) 2.512 2.155 ( -2.639 0.000 -0.424) 2.673 2.219 ( 1.021 0.000 3.657) 3.797 2.422 ( -21.090 0.000 -5.825) 21.879 2.576 ( -2.213 0.000 -2.198) 3.119 2.692 ( 2.549 0.000 12.655) 12.909 2.906 ( -5.942 0.000 -19.228) 20.125 3.547 ( 1.399 0.000 5.058) 5.248 3.632 ( 2.198 0.000 -0.815) 2.344 3.897 ( 2.835 0.000 -0.570) 2.892 3.936 ( 0.942 0.000 -1.591) 1.849 4.139 ( 7.206 0.000 13.381) 15.198 4.371 ( -7.281 0.000 -9.347) 11.848 5.286 ( 2.148 0.000 3.788) 4.354 5.374 ( -3.379 0.000 -6.347) 7.190 5.463 ( -0.288 0.000 0.073) 0.297 5.786 ( 2.714 0.000 2.664) 3.803 5.892 ( -3.143 0.000 -3.761) 4.901 5.921 ( -1.078 0.000 2.813) 3.013 6.066 ( 0.951 0.000 -1.984) 2.200 6.088 ( -1.750 0.000 -0.324) 1.780 6.257 ( 1.443 0.000 0.530) 1.537 6.429 ( 0.358 0.000 3.350) 3.369 6.552 ( -1.291 0.000 -2.930) 3.202 6.636 ( -1.047 0.000 3.138) 3.308 6.683 ( -1.203 0.000 -0.628) 1.357 6.752 ( 1.379 0.000 -0.901) 1.647 6.826 ( -0.196 0.000 1.696) 1.707 6.933 ( -0.460 0.000 -0.769) 0.896 7.043 ( -1.140 0.000 1.191) 1.649 7.106 ( 1.390 0.000 0.981) 1.701 7.222 ( 2.265 0.000 1.833) 2.914 7.300 ( 0.100 0.000 0.171) 0.198 7.340 ( -1.248 0.000 -1.004) 1.602 7.378 ( -0.043 0.000 -0.124) 0.132 7.471 ( 0.122 0.000 0.007) 0.122 7.740 ( -1.392 0.000 -2.836) 3.160 7.763 ( 0.271 0.000 -0.555) 0.618 8.171 ( 7.402 0.000 3.579) 8.222 8.366 ( -4.603 0.000 -1.693) 4.904 8.394 ( -2.047 0.000 -0.240) 2.061 8.672 ( 0.409 0.000 0.920) 1.007 9.003 ( -0.717 0.000 -0.662) 0.976 9.131 ( 0.012 0.000 3.652) 3.652 9.346 ( 0.427 0.000 -1.767) 1.818 9.783 ( 2.082 0.000 -6.399) 6.729 10.176 ( 0.119 0.000 0.299) 0.322 10.458 ( -1.619 0.000 4.704) 4.974 10.607 ( -0.819 0.000 0.263) 0.860 ======================= Grid point 5 (4/91) ======================= q-point: ( 0.00 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( 0.000 19.145 0.000) 19.145 0.443 ( 0.000 22.377 0.000) 22.377 0.877 ( 0.000 43.031 0.000) 43.031 1.241 ( 0.000 19.236 0.000) 19.236 1.729 ( 0.000 1.260 0.000) 1.260 1.769 ( 0.000 1.229 0.000) 1.229 1.836 ( 0.000 6.638 0.000) 6.638 1.845 ( 0.000 4.402 0.000) 4.402 2.051 ( 0.000 4.474 0.000) 4.474 2.076 ( 0.000 3.492 0.000) 3.492 2.120 ( 0.000 10.570 0.000) 10.570 2.134 ( 0.000 5.373 0.000) 5.373 2.230 ( 0.000 17.177 0.000) 17.177 2.299 ( 0.000 7.786 0.000) 7.786 2.385 ( 0.000 -0.116 0.000) 0.116 2.803 ( 0.000 -1.276 0.000) 1.276 2.916 ( 0.000 -0.487 0.000) 0.487 3.361 ( 0.000 -2.498 0.000) 2.498 3.426 ( 0.000 0.015 0.000) 0.015 3.478 ( 0.000 0.483 0.000) 0.483 3.682 ( 0.000 -1.980 0.000) 1.980 3.786 ( 0.000 0.528 0.000) 0.528 3.963 ( 0.000 -1.923 0.000) 1.923 4.504 ( 0.000 -5.066 0.000) 5.066 5.247 ( 0.000 -0.620 0.000) 0.620 5.381 ( 0.000 -3.763 0.000) 3.763 5.664 ( 0.000 1.227 0.000) 1.227 5.671 ( 0.000 11.719 0.000) 11.719 6.029 ( 0.000 -3.901 0.000) 3.901 6.060 ( 0.000 0.900 0.000) 0.900 6.169 ( 0.000 3.137 0.000) 3.137 6.248 ( 0.000 4.934 0.000) 4.934 6.407 ( 0.000 2.036 0.000) 2.036 6.471 ( 0.000 6.021 0.000) 6.021 6.593 ( 0.000 -1.731 0.000) 1.731 6.663 ( 0.000 1.193 0.000) 1.193 6.676 ( 0.000 -0.098 0.000) 0.098 6.851 ( 0.000 3.546 0.000) 3.546 6.916 ( 0.000 -2.763 0.000) 2.763 6.940 ( 0.000 -0.189 0.000) 0.189 6.959 ( 0.000 1.596 0.000) 1.596 7.054 ( 0.000 -0.538 0.000) 0.538 7.236 ( 0.000 5.178 0.000) 5.178 7.308 ( 0.000 1.135 0.000) 1.135 7.321 ( 0.000 2.471 0.000) 2.471 7.489 ( 0.000 2.585 0.000) 2.585 7.564 ( 0.000 5.309 0.000) 5.309 7.762 ( 0.000 0.587 0.000) 0.587 7.876 ( 0.000 5.427 0.000) 5.427 7.933 ( 0.000 -2.239 0.000) 2.239 8.504 ( 0.000 -1.446 0.000) 1.446 8.613 ( 0.000 2.518 0.000) 2.518 8.985 ( 0.000 -3.363 0.000) 3.363 8.993 ( 0.000 -2.981 0.000) 2.981 9.036 ( 0.000 -0.822 0.000) 0.822 9.336 ( 0.000 -1.496 0.000) 1.496 9.367 ( 0.000 -3.033 0.000) 3.033 10.128 ( 0.000 -3.697 0.000) 3.697 10.289 ( 0.000 -3.334 0.000) 3.334 10.580 ( 0.000 -5.643 0.000) 5.643 ======================= Grid point 6 (5/91) ======================= q-point: ( 0.20 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.607 ( 14.124 15.159 3.201) 20.965 0.711 ( 18.710 15.739 4.650) 24.888 1.121 ( 20.730 27.819 9.014) 35.845 1.241 ( 2.414 18.944 0.381) 19.101 1.604 ( -6.012 0.122 -11.901) 13.334 1.660 ( -4.466 1.756 -7.544) 8.940 1.789 ( -5.565 9.891 5.046) 12.420 1.843 ( -1.453 11.546 -7.550) 13.872 2.026 ( 1.236 2.453 5.809) 6.426 2.108 ( -3.253 2.313 2.655) 4.794 2.146 ( 2.249 5.834 -0.503) 6.273 2.198 ( 1.163 7.870 7.789) 11.133 2.247 ( -2.639 10.897 -0.063) 11.212 2.319 ( -3.160 8.267 2.799) 9.282 2.403 ( 6.143 2.882 5.624) 8.813 2.633 ( -5.478 1.456 -2.796) 6.320 2.937 ( -3.494 -0.560 -13.004) 13.477 3.151 ( -13.296 -0.837 -9.494) 16.359 3.463 ( 1.579 -0.654 7.861) 8.044 3.535 ( 3.787 -1.161 1.680) 4.303 3.769 ( 6.978 -2.599 -0.599) 7.470 3.863 ( 4.310 -0.980 4.310) 6.174 3.982 ( 1.087 -1.797 3.736) 4.286 4.465 ( -3.019 -4.863 -4.136) 7.062 5.234 ( -0.762 -0.799 1.034) 1.513 5.378 ( -0.610 -4.703 -3.046) 5.636 5.659 ( -0.448 12.579 -0.666) 12.605 5.709 ( 2.624 0.280 3.677) 4.526 5.977 ( -3.144 -1.019 -2.688) 4.260 6.044 ( -2.766 -0.371 0.652) 2.866 6.164 ( -0.166 4.504 -1.895) 4.889 6.252 ( -5.559 10.810 -3.849) 12.751 6.272 ( -1.193 6.695 -0.811) 6.848 6.455 ( -0.286 4.662 2.184) 5.156 6.577 ( -1.962 -1.496 1.301) 2.789 6.678 ( 0.114 2.255 -0.134) 2.262 6.711 ( 2.659 -0.433 0.232) 2.704 6.790 ( -7.539 4.257 1.815) 8.846 6.857 ( -0.831 3.706 0.149) 3.801 6.927 ( -0.256 -0.939 0.947) 1.358 7.026 ( 3.409 -1.781 3.203) 5.006 7.048 ( -0.512 0.302 3.085) 3.142 7.213 ( 0.063 6.076 -0.753) 6.123 7.297 ( -0.255 1.328 -0.167) 1.362 7.311 ( -1.291 -2.113 -1.373) 2.831 7.489 ( 0.047 2.634 0.032) 2.635 7.562 ( -1.040 8.859 -2.312) 9.215 7.758 ( 2.451 0.798 -5.796) 6.343 7.801 ( -3.315 -0.159 -0.589) 3.371 8.041 ( 5.986 2.006 3.612) 7.273 8.477 ( -1.304 5.363 -0.711) 5.564 8.542 ( -5.339 1.075 -2.269) 5.900 8.702 ( -10.050 5.080 4.746) 12.220 8.992 ( -0.288 -3.201 -2.349) 3.980 9.058 ( 0.001 -3.377 8.325) 8.984 9.332 ( 0.800 -1.695 -2.936) 3.484 9.641 ( 13.290 -10.404 -14.211) 22.064 10.127 ( -0.233 -3.927 1.152) 4.099 10.358 ( 0.092 -6.495 11.814) 13.482 10.562 ( -1.304 -5.857 -0.852) 6.061 ======================= Grid point 7 (6/91) ======================= q-point: ( 0.40 0.08 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( 13.946 10.707 3.904) 18.010 0.999 ( 7.976 21.322 8.120) 24.170 1.164 ( -2.399 15.107 -3.784) 15.758 1.350 ( -10.218 3.865 -10.749) 15.326 1.637 ( 7.079 2.979 -4.029) 8.673 1.697 ( -3.150 12.038 -1.525) 12.536 1.758 ( 19.984 6.293 7.459) 22.240 1.822 ( 5.731 10.496 2.425) 12.202 1.912 ( -13.539 2.328 2.878) 14.036 2.102 ( 1.298 3.883 3.787) 5.577 2.172 ( 0.891 5.516 -1.528) 5.792 2.216 ( 1.628 9.776 -0.578) 9.928 2.246 ( -0.840 7.934 1.790) 8.177 2.271 ( -1.261 9.006 2.097) 9.333 2.507 ( -11.043 8.048 -4.138) 14.277 2.576 ( -6.807 1.208 -3.099) 7.577 2.697 ( 2.524 0.744 11.499) 11.797 2.900 ( -5.716 -0.335 -17.724) 18.626 3.542 ( 1.164 -0.487 6.527) 6.648 3.600 ( 2.192 -2.994 -2.425) 4.433 3.855 ( 2.605 -3.673 -0.758) 4.567 3.922 ( 0.954 -1.283 -1.274) 2.044 4.112 ( 6.611 -2.510 12.421) 14.293 4.332 ( -6.592 -3.815 -8.793) 11.632 5.252 ( 1.430 -2.053 2.688) 3.672 5.318 ( -2.682 -3.692 -3.876) 5.987 5.648 ( -0.282 13.473 -0.270) 13.478 5.790 ( 3.159 -1.042 3.012) 4.487 5.896 ( -3.453 2.008 -2.226) 4.573 5.998 ( -1.593 1.413 0.211) 2.140 6.141 ( -0.965 6.282 -0.336) 6.365 6.146 ( -1.267 9.960 -2.765) 10.414 6.307 ( 1.088 3.231 0.999) 3.553 6.473 ( 0.265 3.602 2.649) 4.479 6.553 ( -0.718 0.662 -0.718) 1.212 6.668 ( -0.754 1.255 0.745) 1.642 6.701 ( -2.328 4.158 -0.825) 4.836 6.758 ( 1.930 0.526 -0.196) 2.010 6.841 ( -1.160 1.601 0.728) 2.106 6.939 ( 1.245 0.647 -1.381) 1.969 7.009 ( -2.315 -2.693 2.618) 4.412 7.142 ( 3.607 2.708 1.042) 4.630 7.232 ( 0.943 1.673 1.571) 2.482 7.263 ( -2.040 -2.593 0.276) 3.311 7.298 ( 0.057 0.592 -1.284) 1.415 7.489 ( -0.011 3.016 0.006) 3.016 7.535 ( -0.276 9.377 -1.023) 9.437 7.730 ( -1.614 -0.805 -2.083) 2.755 7.784 ( 0.947 1.930 -1.220) 2.472 8.183 ( 6.267 0.954 2.924) 6.981 8.402 ( -6.713 3.004 -2.200) 7.676 8.476 ( 0.556 6.639 -0.211) 6.666 8.637 ( -1.434 -2.965 1.604) 3.663 8.972 ( -0.578 -3.075 -0.556) 3.178 9.101 ( 0.266 -2.916 3.126) 4.283 9.328 ( 0.401 -1.684 -1.631) 2.378 9.712 ( 2.882 -6.448 -4.874) 8.582 10.132 ( -0.021 -4.172 0.587) 4.213 10.406 ( -0.313 -4.812 4.476) 6.579 10.534 ( -0.831 -6.736 -0.684) 6.821 ======================= Grid point 10 (7/91) ======================= q-point: ( 0.00 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 0.000 20.044 0.000) 20.044 0.892 ( 0.000 22.223 0.000) 22.223 1.643 ( 0.000 26.318 0.000) 26.318 1.713 ( 0.000 20.094 0.000) 20.094 1.778 ( 0.000 1.143 0.000) 1.143 1.792 ( 0.000 16.511 0.000) 16.511 1.951 ( 0.000 4.066 0.000) 4.066 1.977 ( 0.000 7.077 0.000) 7.077 2.191 ( 0.000 9.557 0.000) 9.557 2.212 ( 0.000 10.145 0.000) 10.145 2.267 ( 0.000 7.230 0.000) 7.230 2.353 ( 0.000 10.874 0.000) 10.874 2.383 ( 0.000 0.102 0.000) 0.102 2.511 ( 0.000 11.431 0.000) 11.431 2.672 ( 0.000 25.138 0.000) 25.138 2.777 ( 0.000 -0.058 0.000) 0.058 2.902 ( 0.000 -1.025 0.000) 1.025 3.301 ( 0.000 -2.988 0.000) 2.988 3.431 ( 0.000 0.620 0.000) 0.620 3.491 ( 0.000 0.474 0.000) 0.474 3.637 ( 0.000 -1.790 0.000) 1.790 3.809 ( 0.000 2.052 0.000) 2.052 3.923 ( 0.000 -1.349 0.000) 1.349 4.360 ( 0.000 -9.010 0.000) 9.010 5.238 ( 0.000 -0.182 0.000) 0.182 5.314 ( 0.000 -2.505 0.000) 2.505 5.701 ( 0.000 2.427 0.000) 2.427 5.887 ( 0.000 3.520 0.000) 3.520 6.020 ( 0.000 7.567 0.000) 7.567 6.034 ( 0.000 -2.414 0.000) 2.414 6.258 ( 0.000 4.137 0.000) 4.137 6.339 ( 0.000 4.215 0.000) 4.215 6.469 ( 0.000 3.409 0.000) 3.409 6.553 ( 0.000 -2.036 0.000) 2.036 6.560 ( 0.000 0.790 0.000) 0.790 6.702 ( 0.000 3.134 0.000) 3.134 6.705 ( 0.000 4.394 0.000) 4.394 6.879 ( 0.000 -1.360 0.000) 1.360 6.881 ( 0.000 0.257 0.000) 0.257 6.985 ( 0.000 4.401 0.000) 4.401 7.021 ( 0.000 4.303 0.000) 4.303 7.073 ( 0.000 2.801 0.000) 2.801 7.315 ( 0.000 -0.436 0.000) 0.436 7.355 ( 0.000 6.308 0.000) 6.308 7.381 ( 0.000 3.266 0.000) 3.266 7.583 ( 0.000 7.115 0.000) 7.115 7.694 ( 0.000 6.300 0.000) 6.300 7.779 ( 0.000 0.235 0.000) 0.235 7.892 ( 0.000 0.015 0.000) 0.015 8.021 ( 0.000 8.459 0.000) 8.459 8.431 ( 0.000 -5.296 0.000) 5.296 8.709 ( 0.000 6.372 0.000) 6.372 8.891 ( 0.000 -5.777 0.000) 5.777 8.910 ( 0.000 -5.239 0.000) 5.239 9.008 ( 0.000 -1.945 0.000) 1.945 9.291 ( 0.000 -4.228 0.000) 4.228 9.297 ( 0.000 -2.286 0.000) 2.286 10.027 ( 0.000 -6.061 0.000) 6.061 10.196 ( 0.000 -5.732 0.000) 5.732 10.426 ( 0.000 -9.302 0.000) 9.302 ======================= Grid point 11 (8/91) ======================= q-point: ( 0.20 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 11.432 17.463 -0.452) 20.877 1.006 ( 15.079 16.423 4.878) 22.823 1.606 ( -4.501 5.225 -9.390) 11.651 1.663 ( -1.812 18.666 -1.220) 18.793 1.726 ( -0.480 8.565 -5.148) 10.004 1.830 ( 4.843 30.442 3.232) 30.994 2.007 ( -2.548 9.353 9.169) 13.343 2.033 ( 4.498 3.869 2.353) 6.383 2.129 ( -1.099 10.205 -3.939) 10.994 2.153 ( -9.063 5.879 5.347) 12.053 2.292 ( 1.120 7.653 0.643) 7.761 2.361 ( 0.877 8.064 -2.026) 8.361 2.409 ( 2.696 2.804 1.020) 4.022 2.532 ( 1.138 12.220 2.435) 12.512 2.664 ( -2.396 19.207 1.415) 19.408 2.699 ( -3.004 7.685 1.947) 8.478 2.921 ( 2.249 -0.984 -13.213) 13.439 3.148 ( -12.502 1.470 -3.213) 12.992 3.447 ( 0.379 -1.023 5.637) 5.742 3.520 ( 2.476 -0.235 -0.357) 2.513 3.705 ( 5.407 -3.277 -1.370) 6.469 3.850 ( 2.139 0.120 4.508) 4.992 3.947 ( 1.841 -1.145 2.534) 3.335 4.328 ( -2.303 -8.491 -3.637) 9.520 5.225 ( -1.142 -0.174 0.540) 1.275 5.298 ( -1.372 -2.894 -1.382) 3.488 5.727 ( 1.575 1.573 2.453) 3.312 5.870 ( -1.112 3.171 -1.158) 3.554 6.013 ( -2.326 -0.253 2.212) 3.220 6.019 ( 0.776 7.592 -3.489) 8.391 6.269 ( 0.868 4.439 -0.287) 4.532 6.336 ( -1.069 2.535 1.670) 3.218 6.441 ( -2.350 6.553 -2.187) 7.297 6.506 ( -2.225 -0.264 2.533) 3.382 6.587 ( 1.631 1.858 -0.782) 2.593 6.708 ( 1.141 1.288 -0.460) 1.781 6.750 ( 1.728 4.613 1.463) 5.138 6.825 ( -1.787 1.029 -1.703) 2.675 6.907 ( 0.227 0.052 -2.178) 2.190 6.982 ( -1.029 4.542 -0.747) 4.716 7.020 ( -0.627 2.971 4.333) 5.292 7.073 ( 0.598 2.225 2.369) 3.304 7.280 ( -2.735 -0.469 -0.541) 2.828 7.354 ( -1.295 6.562 1.010) 6.764 7.363 ( -0.559 4.609 -0.637) 4.687 7.577 ( -0.559 6.054 0.075) 6.081 7.731 ( 2.316 5.111 -2.597) 6.183 7.787 ( 2.519 1.081 -1.750) 3.252 7.805 ( -4.190 4.574 -2.866) 6.833 8.109 ( 5.215 4.898 2.411) 7.550 8.436 ( 0.780 -5.481 -0.638) 5.573 8.640 ( -4.635 6.158 -3.011) 8.274 8.793 ( -11.445 2.721 3.260) 12.207 8.901 ( -1.998 -5.603 -0.514) 5.971 8.970 ( 1.896 -4.972 5.337) 7.536 9.287 ( 1.186 -2.659 -4.083) 5.015 9.454 ( 10.241 -7.919 -3.801) 13.492 10.024 ( -0.502 -6.141 0.896) 6.226 10.228 ( 1.318 -6.736 4.568) 8.245 10.407 ( -1.564 -9.209 -0.910) 9.385 ======================= Grid point 12 (9/91) ======================= q-point: ( 0.40 0.15 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 9.218 13.988 4.181) 17.266 1.351 ( 14.040 13.098 1.505) 19.260 1.435 ( -7.048 8.729 -5.980) 12.714 1.597 ( -2.984 17.497 -3.225) 18.040 1.711 ( 1.296 7.336 -3.343) 8.166 1.874 ( -6.659 3.986 1.328) 7.874 1.988 ( -2.960 14.248 3.465) 14.959 2.056 ( 2.025 9.597 -0.197) 9.811 2.116 ( 2.941 14.975 1.567) 15.341 2.186 ( 6.019 8.522 5.331) 11.716 2.294 ( -1.912 6.699 0.553) 6.988 2.389 ( 4.740 10.844 -1.862) 11.981 2.448 ( 0.701 5.048 0.579) 5.129 2.531 ( -5.825 15.493 2.148) 16.691 2.611 ( -1.493 8.480 0.223) 8.613 2.729 ( -2.565 3.568 2.360) 4.988 2.799 ( -0.965 13.394 -3.437) 13.862 2.926 ( -5.554 6.307 -8.761) 12.140 3.497 ( 0.435 -4.937 4.915) 6.980 3.556 ( 1.811 -0.114 -2.170) 2.829 3.771 ( 2.010 -4.312 -0.518) 4.786 3.895 ( 0.736 -0.973 -0.012) 1.220 4.049 ( 4.711 -3.302 8.626) 10.368 4.227 ( -4.555 -6.281 -6.815) 10.327 5.219 ( 0.200 -1.262 1.233) 1.776 5.252 ( -1.869 -2.283 -1.844) 3.480 5.771 ( 1.146 -0.253 1.842) 2.184 5.844 ( -0.689 3.177 -1.094) 3.430 5.985 ( -0.890 -1.229 0.126) 1.523 6.015 ( 0.132 11.784 -0.717) 11.807 6.276 ( 0.147 5.522 -0.093) 5.525 6.317 ( -1.430 -0.723 0.583) 1.705 6.380 ( -1.552 9.741 -1.299) 9.949 6.538 ( 2.012 2.597 3.707) 4.953 6.601 ( 0.166 2.957 -0.874) 3.088 6.701 ( -0.730 1.530 -2.673) 3.165 6.769 ( -0.188 3.127 2.569) 4.051 6.800 ( -0.473 2.842 -1.476) 3.238 6.900 ( 1.008 1.159 -2.088) 2.592 6.954 ( -0.572 3.761 -0.607) 3.852 7.004 ( -2.703 3.427 3.681) 5.710 7.162 ( 4.828 -1.037 1.126) 5.065 7.246 ( 0.381 1.283 -0.214) 1.356 7.312 ( -4.242 4.924 0.587) 6.526 7.346 ( -0.360 4.277 -0.819) 4.370 7.570 ( -0.177 5.315 0.136) 5.320 7.723 ( -0.872 0.983 -0.595) 1.443 7.744 ( -0.633 10.022 -1.545) 10.160 7.841 ( 2.636 4.273 -1.817) 5.339 8.205 ( 2.939 1.245 2.009) 3.771 8.440 ( -0.340 -2.291 -1.231) 2.623 8.561 ( -0.567 3.195 -2.216) 3.929 8.639 ( -6.359 4.131 2.979) 8.147 8.883 ( -0.271 -5.647 -0.345) 5.664 9.020 ( 0.716 -4.869 2.100) 5.351 9.284 ( 0.375 -2.627 -1.480) 3.039 9.558 ( 3.277 -8.150 -2.289) 9.078 10.023 ( -0.208 -6.381 0.638) 6.417 10.282 ( 1.291 -7.170 3.392) 8.036 10.366 ( -1.593 -9.465 -1.554) 9.724 ======================= Grid point 15 (10/91) ======================= q-point: ( 0.00 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.146 ( 0.000 18.382 0.000) 18.382 1.319 ( 0.000 20.032 0.000) 20.032 1.800 ( 0.000 3.151 0.000) 3.151 1.825 ( 0.000 3.479 0.000) 3.479 2.022 ( 0.000 3.496 0.000) 3.496 2.061 ( 0.000 5.382 0.000) 5.382 2.074 ( 0.000 16.345 0.000) 16.345 2.274 ( 0.000 5.389 0.000) 5.389 2.365 ( 0.000 6.148 0.000) 6.148 2.407 ( 0.000 7.248 0.000) 7.248 2.413 ( 0.000 4.072 0.000) 4.072 2.521 ( 0.000 3.947 0.000) 3.947 2.593 ( 0.000 30.292 0.000) 30.292 2.623 ( 0.000 2.382 0.000) 2.382 2.862 ( 0.000 -2.849 0.000) 2.849 2.891 ( 0.000 9.466 0.000) 9.466 3.169 ( 0.000 21.776 0.000) 21.776 3.278 ( 0.000 1.849 0.000) 1.849 3.442 ( 0.000 -0.015 0.000) 0.015 3.484 ( 0.000 0.601 0.000) 0.601 3.641 ( 0.000 2.167 0.000) 2.167 3.877 ( 0.000 4.677 0.000) 4.677 3.951 ( 0.000 5.147 0.000) 5.147 4.165 ( 0.000 -9.283 0.000) 9.283 5.241 ( 0.000 0.528 0.000) 0.528 5.289 ( 0.000 0.035 0.000) 0.035 5.756 ( 0.000 2.788 0.000) 2.788 5.878 ( 0.000 -1.038 0.000) 1.038 5.990 ( 0.000 -1.463 0.000) 1.463 6.208 ( 0.000 7.669 0.000) 7.669 6.326 ( 0.000 3.038 0.000) 3.038 6.417 ( 0.000 3.251 0.000) 3.251 6.465 ( 0.000 -3.213 0.000) 3.213 6.519 ( 0.000 -1.290 0.000) 1.290 6.597 ( 0.000 3.610 0.000) 3.610 6.785 ( 0.000 2.560 0.000) 2.560 6.800 ( 0.000 5.862 0.000) 5.862 6.844 ( 0.000 -1.041 0.000) 1.041 6.948 ( 0.000 5.698 0.000) 5.698 7.042 ( 0.000 1.045 0.000) 1.045 7.106 ( 0.000 3.577 0.000) 3.577 7.154 ( 0.000 3.497 0.000) 3.497 7.304 ( 0.000 0.183 0.000) 0.183 7.432 ( 0.000 2.210 0.000) 2.210 7.499 ( 0.000 7.568 0.000) 7.568 7.724 ( 0.000 -4.553 0.000) 4.553 7.759 ( 0.000 9.511 0.000) 9.511 7.790 ( 0.000 4.020 0.000) 4.020 8.001 ( 0.000 8.873 0.000) 8.873 8.191 ( 0.000 7.530 0.000) 7.530 8.309 ( 0.000 -6.112 0.000) 6.112 8.755 ( 0.000 -5.686 0.000) 5.686 8.790 ( 0.000 -6.643 0.000) 6.643 8.864 ( 0.000 7.126 0.000) 7.126 8.959 ( 0.000 -2.947 0.000) 2.947 9.215 ( 0.000 -2.972 0.000) 2.972 9.250 ( 0.000 -2.298 0.000) 2.298 9.896 ( 0.000 -6.856 0.000) 6.856 10.070 ( 0.000 -6.581 0.000) 6.581 10.227 ( 0.000 -10.132 0.000) 10.132 ======================= Grid point 16 (11/91) ======================= q-point: ( 0.20 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 12.419 15.508 -0.922) 19.890 1.364 ( 4.429 17.917 3.244) 18.740 1.697 ( -2.692 5.190 -7.693) 9.663 1.826 ( -2.225 5.821 -3.228) 7.018 2.046 ( 1.668 6.742 3.157) 7.629 2.066 ( -1.507 9.974 0.383) 10.094 2.133 ( -4.299 3.098 8.370) 9.906 2.187 ( -1.909 6.218 1.477) 6.670 2.327 ( -2.353 7.439 -3.624) 8.603 2.403 ( 0.164 3.537 1.114) 3.712 2.423 ( 2.033 4.187 -4.447) 6.437 2.534 ( -1.477 11.309 -1.244) 11.473 2.584 ( 3.658 15.251 0.970) 15.713 2.698 ( 3.539 11.669 4.815) 13.110 2.859 ( 0.318 5.092 -6.877) 8.563 2.909 ( 2.411 4.304 1.817) 5.257 3.067 ( -9.276 14.598 1.951) 17.406 3.274 ( -1.567 10.894 0.572) 11.021 3.415 ( -1.772 -0.420 -0.693) 1.948 3.525 ( 3.164 0.563 -0.709) 3.291 3.670 ( 2.275 0.628 0.699) 2.461 3.888 ( -0.051 3.955 3.540) 5.308 3.970 ( 2.018 4.380 -0.426) 4.841 4.150 ( -0.855 -8.078 -2.304) 8.443 5.226 ( -1.328 0.321 -0.307) 1.400 5.269 ( -1.751 0.019 -0.364) 1.788 5.766 ( 0.531 2.244 1.261) 2.628 5.876 ( 0.216 -0.204 -1.049) 1.091 5.983 ( -0.643 -0.702 -0.051) 0.953 6.213 ( 0.711 7.207 -0.386) 7.252 6.329 ( -0.987 2.216 0.510) 2.479 6.382 ( -2.392 2.239 1.286) 3.519 6.480 ( 2.481 -0.389 0.661) 2.597 6.549 ( 0.377 1.224 0.961) 1.601 6.603 ( 1.454 2.252 -0.167) 2.686 6.749 ( -1.616 2.110 -2.137) 3.411 6.833 ( 1.224 3.066 -0.322) 3.317 6.849 ( 0.174 0.218 2.321) 2.338 6.964 ( 1.236 6.986 -3.693) 7.998 7.017 ( -0.334 -0.232 -1.299) 1.361 7.107 ( -1.096 3.782 3.233) 5.095 7.144 ( -0.369 3.942 0.731) 4.026 7.271 ( -2.126 -0.127 -0.832) 2.286 7.448 ( -0.207 3.322 1.515) 3.657 7.489 ( -1.892 6.309 0.441) 6.602 7.695 ( -1.864 3.183 1.470) 3.971 7.767 ( 0.948 3.484 0.212) 3.617 7.833 ( 4.887 4.222 -4.906) 8.110 7.985 ( -0.116 10.123 -1.819) 10.285 8.221 ( 0.985 4.315 2.337) 5.005 8.315 ( 1.329 -4.685 -0.702) 4.920 8.732 ( -3.432 0.174 -1.462) 3.735 8.759 ( 0.394 -5.640 -2.524) 6.192 8.829 ( -9.807 -1.064 4.338) 10.776 8.904 ( 0.636 0.953 2.678) 2.913 9.233 ( 1.893 -2.580 -5.454) 6.324 9.324 ( 5.802 -5.073 1.360) 7.826 9.892 ( -0.453 -6.891 0.327) 6.913 10.088 ( 1.122 -7.029 1.980) 7.389 10.212 ( -1.297 -9.828 -0.597) 9.931 ======================= Grid point 17 (12/91) ======================= q-point: ( 0.40 0.23 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.442 ( 5.451 14.489 2.960) 15.761 1.559 ( 5.081 8.978 -4.750) 11.357 1.641 ( 6.457 10.788 0.966) 12.610 1.802 ( 2.486 7.272 -1.265) 7.788 1.923 ( -10.685 7.598 -1.276) 13.173 1.960 ( -8.207 5.734 -1.227) 10.086 2.140 ( 1.079 3.601 3.582) 5.193 2.255 ( 0.566 9.521 4.136) 10.396 2.298 ( 1.325 5.421 2.025) 5.937 2.374 ( -1.419 3.082 -4.856) 5.924 2.456 ( 3.299 4.369 -3.814) 6.672 2.494 ( -2.587 6.785 1.941) 7.517 2.691 ( 6.789 12.394 -0.568) 14.144 2.787 ( 2.202 10.840 4.388) 11.900 2.819 ( -1.273 8.427 -1.244) 8.613 2.893 ( -8.130 15.529 -1.454) 17.589 2.961 ( 1.419 8.557 0.171) 8.675 3.243 ( -1.312 16.719 -0.093) 16.771 3.383 ( -0.970 -4.859 -0.307) 4.964 3.564 ( 1.114 0.380 -0.238) 1.201 3.711 ( 1.312 -0.491 0.238) 1.421 3.909 ( -0.049 3.051 2.112) 3.711 4.017 ( 2.253 1.475 1.612) 3.139 4.108 ( -1.514 -4.497 -3.032) 5.631 5.200 ( -0.845 -0.310 -0.343) 0.963 5.236 ( -1.129 0.386 -0.137) 1.201 5.783 ( 0.297 1.318 0.784) 1.562 5.875 ( 0.328 1.236 -0.747) 1.481 5.971 ( -0.484 0.183 0.122) 0.532 6.231 ( 1.348 7.172 -0.292) 7.303 6.285 ( -2.571 -0.017 0.203) 2.579 6.375 ( -0.040 4.579 0.525) 4.610 6.531 ( -0.025 3.844 0.174) 3.848 6.570 ( 3.230 1.260 3.961) 5.264 6.631 ( 0.873 1.051 -1.968) 2.396 6.707 ( -1.294 -0.268 -1.843) 2.268 6.796 ( -3.099 -0.040 -0.701) 3.177 6.883 ( 1.222 0.510 1.380) 1.913 6.951 ( 0.195 8.753 -2.108) 9.005 7.035 ( 2.014 0.822 -1.108) 2.441 7.102 ( -1.458 5.170 2.647) 5.989 7.148 ( -0.773 0.973 0.313) 1.282 7.276 ( 4.484 1.231 -0.392) 4.666 7.389 ( -6.253 2.226 0.345) 6.646 7.459 ( -0.808 6.388 0.087) 6.440 7.703 ( 0.855 7.748 1.268) 7.897 7.775 ( 0.012 4.239 -0.434) 4.261 7.878 ( 1.668 3.816 -1.900) 4.577 7.997 ( 2.099 9.724 -1.809) 10.112 8.231 ( -0.833 0.716 1.717) 2.039 8.345 ( 1.357 -3.967 -0.500) 4.222 8.657 ( -2.685 3.900 -0.027) 4.735 8.707 ( -3.917 1.626 0.407) 4.261 8.757 ( 0.110 -6.333 -0.464) 6.351 8.930 ( 0.331 -2.680 1.400) 3.042 9.231 ( 0.412 -2.401 -1.457) 2.839 9.409 ( 2.565 -6.321 -0.448) 6.836 9.887 ( -0.243 -7.034 0.308) 7.045 10.129 ( 1.715 -7.875 2.093) 8.327 10.175 ( -1.861 -9.127 -1.333) 9.410 ======================= Grid point 20 (13/91) ======================= q-point: ( 0.00 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 14.977 0.000) 14.977 1.678 ( 0.000 15.392 0.000) 15.392 1.863 ( 0.000 2.927 0.000) 2.927 1.917 ( 0.000 5.782 0.000) 5.782 2.097 ( 0.000 3.979 0.000) 3.979 2.132 ( 0.000 2.002 0.000) 2.002 2.278 ( 0.000 -0.846 0.000) 0.846 2.317 ( 0.000 6.104 0.000) 6.104 2.381 ( 0.000 -4.243 0.000) 4.243 2.473 ( 0.000 2.358 0.000) 2.358 2.532 ( 0.000 0.433 0.000) 0.433 2.553 ( 0.000 5.902 0.000) 5.902 2.719 ( 0.000 4.779 0.000) 4.779 2.736 ( 0.000 -5.932 0.000) 5.932 2.987 ( 0.000 -1.150 0.000) 1.150 3.146 ( 0.000 14.565 0.000) 14.565 3.370 ( 0.000 1.925 0.000) 1.925 3.387 ( 0.000 1.309 0.000) 1.309 3.449 ( 0.000 11.225 0.000) 11.225 3.654 ( 0.000 9.698 0.000) 9.698 3.780 ( 0.000 15.056 0.000) 15.056 3.919 ( 0.000 -1.619 0.000) 1.619 4.117 ( 0.000 6.822 0.000) 6.822 4.125 ( 0.000 11.007 0.000) 11.007 5.258 ( 0.000 1.104 0.000) 1.104 5.308 ( 0.000 1.553 0.000) 1.553 5.799 ( 0.000 1.284 0.000) 1.284 5.873 ( 0.000 0.575 0.000) 0.575 5.997 ( 0.000 2.671 0.000) 2.671 6.334 ( 0.000 5.719 0.000) 5.719 6.374 ( 0.000 0.512 0.000) 0.512 6.430 ( 0.000 1.767 0.000) 1.767 6.461 ( 0.000 1.387 0.000) 1.387 6.502 ( 0.000 -0.330 0.000) 0.330 6.651 ( 0.000 1.345 0.000) 1.345 6.795 ( 0.000 -2.371 0.000) 2.371 6.836 ( 0.000 2.890 0.000) 2.890 6.926 ( 0.000 2.040 0.000) 2.040 7.047 ( 0.000 1.061 0.000) 1.061 7.057 ( 0.000 4.796 0.000) 4.796 7.147 ( 0.000 0.142 0.000) 0.142 7.165 ( 0.000 -1.130 0.000) 1.130 7.349 ( 0.000 3.305 0.000) 3.305 7.466 ( 0.000 1.137 0.000) 1.137 7.633 ( 0.000 -4.059 0.000) 4.059 7.652 ( 0.000 7.419 0.000) 7.419 7.874 ( 0.000 4.280 0.000) 4.280 7.926 ( 0.000 6.166 0.000) 6.166 8.136 ( 0.000 -7.348 0.000) 7.348 8.183 ( 0.000 8.640 0.000) 8.640 8.371 ( 0.000 7.237 0.000) 7.237 8.650 ( 0.000 -7.162 0.000) 7.162 8.654 ( 0.000 -3.690 0.000) 3.690 8.893 ( 0.000 -3.561 0.000) 3.561 9.011 ( 0.000 6.849 0.000) 6.849 9.183 ( 0.000 0.114 0.000) 0.114 9.208 ( 0.000 -1.876 0.000) 1.876 9.758 ( 0.000 -6.855 0.000) 6.855 9.944 ( 0.000 -5.720 0.000) 5.720 10.037 ( 0.000 -8.414 0.000) 8.414 ======================= Grid point 21 (14/91) ======================= q-point: ( 0.20 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( 8.484 12.788 -0.908) 15.374 1.689 ( 0.736 14.032 1.911) 14.181 1.809 ( -1.108 5.619 -4.326) 7.178 1.939 ( 0.472 5.589 -1.821) 5.897 2.094 ( -0.823 2.595 1.937) 3.341 2.161 ( -2.929 0.913 4.846) 5.736 2.249 ( -0.599 0.659 1.075) 1.396 2.282 ( -3.237 5.918 -1.301) 6.869 2.373 ( 0.987 -1.312 -2.815) 3.259 2.459 ( -2.340 2.372 5.074) 6.070 2.484 ( 0.030 0.422 -8.024) 8.035 2.623 ( 4.780 1.590 0.173) 5.041 2.696 ( -2.974 4.270 3.921) 6.516 2.809 ( 5.797 -3.938 -0.459) 7.023 3.010 ( 1.643 3.670 2.123) 4.547 3.143 ( 0.070 6.145 -2.755) 6.734 3.246 ( -5.698 6.322 0.060) 8.511 3.355 ( -6.519 8.829 -0.910) 11.013 3.519 ( 3.878 -1.008 3.489) 5.313 3.632 ( -2.802 12.491 -1.119) 12.850 3.778 ( 2.186 10.684 -3.084) 11.333 3.970 ( 1.497 4.279 6.987) 8.329 4.116 ( 0.914 6.923 -2.621) 7.459 4.130 ( 1.023 10.618 -1.449) 10.765 5.241 ( -1.278 1.220 -0.866) 1.968 5.288 ( -1.960 1.482 0.241) 2.469 5.805 ( 0.529 1.419 0.144) 1.521 5.883 ( 0.992 0.951 -0.082) 1.377 6.001 ( 0.329 2.875 -0.027) 2.894 6.307 ( -2.173 3.250 0.988) 4.032 6.390 ( -1.575 3.819 0.682) 4.187 6.419 ( 1.830 1.967 0.897) 2.832 6.483 ( 2.091 0.690 -0.570) 2.275 6.537 ( 2.647 -0.884 -0.173) 2.796 6.661 ( 0.515 1.783 1.737) 2.542 6.777 ( -3.344 -0.631 1.566) 3.746 6.826 ( 0.715 0.982 -2.948) 3.189 6.901 ( -1.985 -0.542 -2.263) 3.059 7.019 ( 0.285 2.005 -1.116) 2.313 7.092 ( 1.154 5.052 -1.691) 5.451 7.146 ( -1.074 -0.081 3.047) 3.231 7.187 ( 3.282 0.510 -0.257) 3.331 7.300 ( -3.437 2.929 -0.761) 4.580 7.485 ( -1.414 0.555 2.332) 2.783 7.574 ( -2.109 1.412 0.155) 2.543 7.738 ( 5.018 3.700 2.377) 6.672 7.857 ( -1.409 3.271 0.672) 3.624 7.955 ( 3.612 6.965 -5.083) 9.348 8.140 ( 0.412 -5.934 0.820) 6.004 8.179 ( 0.796 8.215 -2.167) 8.533 8.387 ( -0.026 6.298 2.510) 6.780 8.638 ( -1.055 -5.203 -0.434) 5.326 8.654 ( 0.587 -6.085 -2.187) 6.492 8.808 ( -7.844 -1.550 4.102) 8.987 9.005 ( -0.829 6.804 -1.473) 7.010 9.194 ( 1.410 -1.004 -3.453) 3.863 9.249 ( 3.229 -2.536 2.415) 4.764 9.752 ( -0.484 -6.991 -0.100) 7.008 9.956 ( 0.787 -5.971 0.960) 6.099 10.030 ( -0.621 -8.013 -0.347) 8.044 ======================= Grid point 22 (15/91) ======================= q-point: ( 0.40 0.31 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 3.452 10.810 0.983) 11.391 1.733 ( 2.084 8.559 -2.682) 9.209 1.825 ( 6.500 6.954 1.624) 9.656 1.939 ( 1.687 6.747 -1.195) 7.056 2.023 ( -5.444 4.384 -0.259) 6.994 2.063 ( -8.217 4.140 -1.194) 9.278 2.228 ( -0.993 4.150 1.121) 4.412 2.292 ( 0.972 -2.446 4.327) 5.065 2.381 ( 0.598 0.869 0.183) 1.071 2.415 ( -1.489 1.324 -5.104) 5.479 2.501 ( 2.841 2.298 0.405) 3.676 2.639 ( -1.711 5.012 -1.658) 5.550 2.720 ( 1.939 -1.873 2.933) 3.984 2.912 ( 3.970 0.459 0.778) 4.072 3.031 ( -0.852 3.751 0.240) 3.854 3.142 ( 2.412 1.736 0.274) 2.984 3.181 ( -2.199 10.626 -0.848) 10.885 3.228 ( -5.316 2.380 -0.601) 5.855 3.546 ( -2.362 5.916 1.289) 6.499 3.596 ( 0.984 5.501 -1.184) 5.712 3.811 ( 1.669 10.992 -0.346) 11.124 4.021 ( -0.062 7.905 3.796) 8.770 4.121 ( 0.759 7.197 -0.710) 7.271 4.139 ( 0.933 9.993 -2.118) 10.257 5.213 ( -0.827 1.516 -0.619) 1.835 5.256 ( -1.163 1.364 0.204) 1.804 5.815 ( 0.277 1.660 0.134) 1.689 5.902 ( 0.815 1.311 -0.180) 1.554 6.005 ( 0.018 3.387 0.061) 3.387 6.281 ( -1.062 2.393 0.702) 2.710 6.364 ( -0.804 4.568 -0.021) 4.638 6.457 ( 0.848 3.261 0.370) 3.389 6.534 ( 2.696 -1.056 0.856) 3.020 6.581 ( 2.402 -0.702 0.331) 2.524 6.681 ( -1.508 -0.506 1.315) 2.064 6.702 ( -2.482 2.876 -0.907) 3.906 6.803 ( -1.159 1.069 -2.594) 3.035 6.867 ( -0.140 -3.338 0.044) 3.341 7.044 ( 2.282 1.931 -1.377) 3.292 7.084 ( -0.765 3.883 -0.013) 3.958 7.148 ( -0.329 -0.260 1.549) 1.604 7.219 ( -1.497 4.688 -0.304) 4.931 7.297 ( 5.399 1.215 -0.643) 5.571 7.410 ( -6.222 0.395 1.102) 6.331 7.571 ( 0.083 3.946 0.756) 4.019 7.839 ( 0.519 -0.669 0.443) 0.956 7.846 ( 2.780 6.008 2.125) 6.953 7.957 ( -0.325 6.014 -3.682) 7.059 8.151 ( 0.011 4.065 0.164) 4.068 8.224 ( 5.497 1.969 -2.565) 6.378 8.365 ( -4.368 4.231 2.907) 6.740 8.614 ( -0.885 -6.377 -0.373) 6.449 8.643 ( -0.401 -4.713 -0.961) 4.826 8.729 ( -2.033 -0.202 1.492) 2.530 8.975 ( -1.126 6.207 -0.368) 6.319 9.196 ( 0.306 -0.931 -0.805) 1.268 9.312 ( 1.879 -3.470 0.287) 3.957 9.743 ( -0.319 -7.293 -0.004) 7.300 9.979 ( 0.802 -6.814 0.844) 6.913 10.013 ( -0.721 -6.905 -0.506) 6.961 ======================= Grid point 25 (16/91) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.736 ( 0.000 10.158 0.000) 10.158 1.906 ( 0.000 6.989 0.000) 6.989 1.906 ( 0.000 1.203 0.000) 1.203 2.064 ( 0.000 8.475 0.000) 8.475 2.123 ( 0.000 -2.780 0.000) 2.780 2.182 ( 0.000 4.412 0.000) 4.412 2.265 ( 0.000 0.189 0.000) 0.189 2.283 ( 0.000 -3.738 0.000) 3.738 2.362 ( 0.000 -0.804 0.000) 0.804 2.482 ( 0.000 -2.873 0.000) 2.873 2.539 ( 0.000 0.407 0.000) 0.407 2.606 ( 0.000 -0.503 0.000) 0.503 2.683 ( 0.000 2.009 0.000) 2.009 2.782 ( 0.000 1.510 0.000) 1.510 2.899 ( 0.000 -5.602 0.000) 5.602 3.146 ( 0.000 -9.283 0.000) 9.283 3.368 ( 0.000 0.441 0.000) 0.441 3.388 ( 0.000 0.298 0.000) 0.298 3.786 ( 0.000 11.731 0.000) 11.731 3.816 ( 0.000 7.149 0.000) 7.149 3.986 ( 0.000 10.611 0.000) 10.611 4.093 ( 0.000 13.082 0.000) 13.082 4.302 ( 0.000 9.493 0.000) 9.493 4.340 ( 0.000 9.434 0.000) 9.434 5.284 ( 0.000 1.482 0.000) 1.482 5.337 ( 0.000 0.999 0.000) 0.999 5.819 ( 0.000 1.243 0.000) 1.243 5.892 ( 0.000 0.855 0.000) 0.855 6.094 ( 0.000 6.513 0.000) 6.513 6.384 ( 0.000 1.698 0.000) 1.698 6.442 ( 0.000 3.602 0.000) 3.602 6.474 ( 0.000 0.403 0.000) 0.403 6.507 ( 0.000 4.601 0.000) 4.601 6.514 ( 0.000 1.769 0.000) 1.769 6.655 ( 0.000 -0.713 0.000) 0.713 6.742 ( 0.000 -2.440 0.000) 2.440 6.853 ( 0.000 -6.697 0.000) 6.697 6.886 ( 0.000 1.456 0.000) 1.456 7.074 ( 0.000 -0.635 0.000) 0.635 7.108 ( 0.000 -3.651 0.000) 3.651 7.145 ( 0.000 3.989 0.000) 3.989 7.185 ( 0.000 3.481 0.000) 3.481 7.401 ( 0.000 1.736 0.000) 1.736 7.474 ( 0.000 -0.278 0.000) 0.278 7.576 ( 0.000 -1.295 0.000) 1.295 7.774 ( 0.000 3.041 0.000) 3.041 7.916 ( 0.000 -4.797 0.000) 4.797 7.948 ( 0.000 2.703 0.000) 2.703 8.106 ( 0.000 4.285 0.000) 4.285 8.329 ( 0.000 5.408 0.000) 5.408 8.490 ( 0.000 3.774 0.000) 3.774 8.510 ( 0.000 -6.454 0.000) 6.454 8.617 ( 0.000 0.318 0.000) 0.318 8.820 ( 0.000 -3.685 0.000) 3.685 9.108 ( 0.000 2.495 0.000) 2.495 9.175 ( 0.000 -1.335 0.000) 1.335 9.237 ( 0.000 5.250 0.000) 5.250 9.622 ( 0.000 -6.711 0.000) 6.711 9.850 ( 0.000 -3.493 0.000) 3.493 9.899 ( 0.000 -5.320 0.000) 5.320 ======================= Grid point 26 (17/91) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 4.375 8.333 -0.748) 9.441 1.892 ( -0.934 3.976 0.878) 4.177 1.906 ( 0.257 5.554 -1.264) 5.702 2.057 ( 0.842 5.188 -2.869) 5.988 2.157 ( 1.139 -0.328 1.465) 1.885 2.160 ( -1.831 3.545 0.979) 4.108 2.236 ( -2.686 -0.967 0.973) 3.016 2.325 ( 3.126 -0.591 -2.222) 3.880 2.348 ( -1.654 0.225 0.717) 1.817 2.443 ( -1.485 -2.707 -1.049) 3.261 2.496 ( -1.903 0.270 0.366) 1.956 2.663 ( 0.396 1.387 4.750) 4.964 2.707 ( 1.043 -2.691 4.668) 5.488 2.777 ( 1.797 1.433 -4.115) 4.714 2.952 ( 4.379 -6.821 -0.469) 8.120 3.077 ( -3.489 -6.778 -5.701) 9.519 3.324 ( -3.958 2.073 2.076) 4.927 3.455 ( 1.566 -2.057 7.398) 7.836 3.645 ( -5.489 11.998 -6.104) 14.538 3.818 ( -2.314 5.555 -6.055) 8.537 4.026 ( 2.500 13.869 3.678) 14.564 4.151 ( 1.581 10.731 8.775) 13.951 4.307 ( 1.497 9.923 -2.919) 10.451 4.347 ( 1.729 9.656 -3.142) 10.301 5.272 ( -0.899 1.709 -0.692) 2.051 5.317 ( -1.961 1.151 0.256) 2.289 5.830 ( 1.151 1.465 -0.250) 1.880 5.904 ( 0.978 0.755 0.274) 1.265 6.097 ( 0.292 6.366 0.153) 6.374 6.374 ( -1.129 3.707 1.224) 4.064 6.455 ( -0.023 3.036 0.793) 3.138 6.482 ( 0.458 1.595 0.951) 1.912 6.498 ( 1.235 1.294 -0.642) 1.900 6.533 ( 1.092 1.197 -1.180) 2.004 6.655 ( -0.696 -2.268 1.520) 2.818 6.749 ( -0.284 -0.687 2.362) 2.477 6.818 ( -2.070 -5.211 -2.554) 6.162 6.872 ( -0.442 1.488 -3.171) 3.531 7.053 ( -0.174 -0.182 -0.791) 0.830 7.108 ( -0.445 -3.380 0.728) 3.486 7.178 ( -0.534 3.798 -0.221) 3.841 7.211 ( 5.224 2.460 0.027) 5.774 7.356 ( -2.946 2.339 -0.740) 3.834 7.484 ( -1.915 -0.367 2.492) 3.164 7.568 ( 0.300 -0.917 0.393) 1.042 7.790 ( -0.627 -2.529 0.713) 2.701 7.894 ( 1.554 3.181 0.721) 3.613 8.044 ( 7.660 0.310 -1.162) 7.754 8.104 ( 0.095 4.666 -1.016) 4.777 8.322 ( 0.235 5.374 -2.309) 5.853 8.470 ( -3.518 -0.981 4.683) 5.939 8.530 ( 2.525 -3.055 -4.543) 6.029 8.586 ( -2.609 0.042 0.017) 2.609 8.766 ( -5.503 -2.506 3.260) 6.869 9.122 ( 1.879 3.817 -4.173) 5.960 9.190 ( 0.008 -0.263 3.172) 3.183 9.236 ( 0.717 2.605 -0.376) 2.728 9.612 ( -0.847 -6.974 -0.257) 7.030 9.858 ( 0.529 -3.637 0.456) 3.703 9.899 ( 0.101 -5.019 -0.246) 5.026 ======================= Grid point 27 (18/91) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( 2.322 4.682 -0.968) 5.315 1.892 ( -0.205 5.244 1.081) 5.358 1.916 ( 1.865 3.324 -0.137) 3.814 2.064 ( 1.487 4.219 -2.048) 4.920 2.113 ( -2.038 4.641 -0.592) 5.103 2.157 ( -2.369 4.831 -0.011) 5.380 2.223 ( 0.613 -2.067 2.546) 3.336 2.281 ( -2.137 0.942 -1.947) 3.040 2.371 ( 0.573 -1.480 1.141) 1.954 2.421 ( -0.946 -0.050 -1.827) 2.058 2.519 ( 2.462 -0.597 2.806) 3.780 2.679 ( 0.199 0.308 -1.550) 1.593 2.704 ( -2.348 -0.941 3.354) 4.201 2.856 ( 5.141 -4.422 1.708) 6.993 2.966 ( -1.489 -8.223 -0.083) 8.357 3.010 ( -1.113 -6.626 -6.106) 9.079 3.280 ( -1.619 5.484 3.768) 6.848 3.482 ( -1.123 7.120 -0.634) 7.236 3.577 ( -0.493 3.393 2.122) 4.033 3.727 ( -1.894 5.145 -5.256) 7.595 4.082 ( 0.968 13.676 2.319) 13.905 4.209 ( -0.188 9.180 3.982) 10.008 4.326 ( 1.507 10.767 -0.623) 10.890 4.357 ( 1.170 10.218 -2.973) 10.706 5.253 ( -0.458 2.160 -0.550) 2.276 5.284 ( -1.271 1.289 0.267) 1.829 5.849 ( 0.695 1.868 -0.127) 1.997 5.922 ( 0.592 0.539 0.125) 0.810 6.104 ( 0.208 6.232 0.104) 6.236 6.365 ( -0.526 5.690 0.804) 5.771 6.445 ( -0.739 3.287 0.270) 3.380 6.506 ( 0.519 1.376 0.227) 1.488 6.522 ( 1.738 0.036 -0.494) 1.808 6.554 ( 1.449 -2.353 0.083) 2.764 6.632 ( -2.532 -2.810 1.088) 3.936 6.747 ( -0.191 -3.417 -1.223) 3.635 6.783 ( -1.333 0.866 2.524) 2.983 6.845 ( 0.334 2.033 -3.665) 4.205 7.063 ( 1.413 -1.620 -0.845) 2.310 7.100 ( -0.989 -2.272 0.729) 2.583 7.169 ( -0.288 3.851 0.212) 3.868 7.285 ( 0.752 1.649 -0.671) 1.932 7.336 ( 3.609 2.705 -0.590) 4.548 7.423 ( -5.210 1.237 1.808) 5.652 7.597 ( 1.451 -1.072 0.636) 1.913 7.754 ( -1.911 -6.071 -0.240) 6.369 7.963 ( 2.867 5.998 1.551) 6.826 8.094 ( -0.288 6.256 -1.453) 6.429 8.191 ( 7.755 1.490 -0.203) 7.899 8.305 ( -0.937 4.053 -2.961) 5.106 8.417 ( -4.217 -1.607 3.175) 5.517 8.502 ( -2.002 -4.657 -1.043) 5.176 8.566 ( 0.053 -0.247 -0.786) 0.826 8.710 ( -1.749 -1.602 1.807) 2.982 9.116 ( 0.033 7.006 -1.776) 7.227 9.195 ( -0.503 0.811 1.204) 1.537 9.266 ( 1.514 -1.144 -0.054) 1.898 9.595 ( -0.617 -7.502 -0.148) 7.529 9.869 ( 0.266 -3.959 0.276) 3.978 9.900 ( 0.097 -4.449 -0.163) 4.453 ======================= Grid point 30 (19/91) ======================= q-point: ( 0.00 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 0.000 3.819 0.000) 3.819 1.911 ( 0.000 -0.517 0.000) 0.517 1.988 ( 0.000 2.688 0.000) 2.688 2.053 ( 0.000 -3.645 0.000) 3.645 2.212 ( 0.000 6.088 0.000) 6.088 2.260 ( 0.000 3.824 0.000) 3.824 2.275 ( 0.000 0.230 0.000) 0.230 2.276 ( 0.000 1.836 0.000) 1.836 2.316 ( 0.000 -3.266 0.000) 3.266 2.373 ( 0.000 -6.542 0.000) 6.542 2.573 ( 0.000 3.037 0.000) 3.037 2.610 ( 0.000 -0.020 0.000) 0.020 2.725 ( 0.000 1.793 0.000) 1.793 2.768 ( 0.000 -2.641 0.000) 2.641 2.839 ( 0.000 0.907 0.000) 0.907 2.940 ( 0.000 -9.092 0.000) 9.092 3.379 ( 0.000 0.581 0.000) 0.581 3.388 ( 0.000 -0.240 0.000) 0.240 3.912 ( 0.000 2.967 0.000) 2.967 3.917 ( 0.000 2.531 0.000) 2.531 4.212 ( 0.000 8.054 0.000) 8.054 4.261 ( 0.000 3.234 0.000) 3.234 4.450 ( 0.000 4.594 0.000) 4.594 4.469 ( 0.000 2.906 0.000) 2.906 5.315 ( 0.000 1.544 0.000) 1.544 5.340 ( 0.000 -0.693 0.000) 0.693 5.856 ( 0.000 2.248 0.000) 2.248 5.892 ( 0.000 -0.988 0.000) 0.988 6.242 ( 0.000 7.870 0.000) 7.870 6.388 ( 0.000 -6.051 0.000) 6.051 6.447 ( 0.000 4.158 0.000) 4.158 6.511 ( 0.000 -0.921 0.000) 0.921 6.566 ( 0.000 3.315 0.000) 3.315 6.595 ( 0.000 3.873 0.000) 3.873 6.627 ( 0.000 -1.831 0.000) 1.831 6.693 ( 0.000 -5.109 0.000) 5.109 6.772 ( 0.000 2.863 0.000) 2.863 6.867 ( 0.000 -3.922 0.000) 3.922 7.041 ( 0.000 -1.611 0.000) 1.611 7.047 ( 0.000 -1.383 0.000) 1.383 7.214 ( 0.000 2.721 0.000) 2.721 7.238 ( 0.000 0.804 0.000) 0.804 7.429 ( 0.000 1.438 0.000) 1.438 7.458 ( 0.000 -1.267 0.000) 1.267 7.592 ( 0.000 3.114 0.000) 3.114 7.697 ( 0.000 -6.758 0.000) 6.758 7.932 ( 0.000 3.239 0.000) 3.239 7.972 ( 0.000 -0.428 0.000) 0.428 8.210 ( 0.000 5.789 0.000) 5.789 8.330 ( 0.000 -5.481 0.000) 5.481 8.464 ( 0.000 2.253 0.000) 2.253 8.506 ( 0.000 -1.327 0.000) 1.327 8.669 ( 0.000 3.849 0.000) 3.849 8.746 ( 0.000 -3.748 0.000) 3.748 9.137 ( 0.000 0.919 0.000) 0.919 9.154 ( 0.000 -0.887 0.000) 0.887 9.360 ( 0.000 6.464 0.000) 6.464 9.490 ( 0.000 -6.516 0.000) 6.516 9.808 ( 0.000 -0.661 0.000) 0.661 9.824 ( 0.000 -2.228 0.000) 2.228 ======================= Grid point 31 (20/91) ======================= q-point: ( 0.20 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 1.500 3.064 -0.491) 3.447 1.918 ( 0.780 -0.027 -0.492) 0.923 1.987 ( -0.085 2.784 0.006) 2.785 2.051 ( 0.071 -3.498 -0.464) 3.530 2.196 ( -0.481 3.460 -1.190) 3.690 2.236 ( -2.041 -0.134 -0.949) 2.255 2.256 ( -0.031 4.867 -0.325) 4.878 2.323 ( 1.314 -0.368 1.194) 1.813 2.347 ( 2.081 -0.320 2.229) 3.066 2.377 ( 1.369 -3.669 -1.180) 4.090 2.515 ( -4.436 3.390 3.044) 6.359 2.612 ( -2.729 -4.718 6.168) 8.231 2.726 ( 0.403 2.740 -2.484) 3.720 2.793 ( 2.628 -2.163 -4.802) 5.886 2.842 ( 0.501 -0.458 -0.178) 0.701 2.926 ( 0.130 -6.858 -4.013) 7.947 3.370 ( -1.706 2.361 4.205) 5.115 3.414 ( 0.459 -2.015 6.040) 6.384 3.824 ( -4.210 5.736 -6.236) 9.461 3.877 ( -2.851 0.353 -6.204) 6.836 4.254 ( 0.925 7.347 6.180) 9.645 4.298 ( 0.493 2.962 7.105) 7.713 4.462 ( 2.424 4.760 -3.535) 6.406 4.480 ( 2.409 3.098 -3.604) 5.328 5.305 ( -0.866 1.484 -0.261) 1.738 5.325 ( -1.407 -0.373 0.076) 1.458 5.869 ( 1.242 2.165 -0.167) 2.501 5.903 ( 0.947 -0.948 0.085) 1.342 6.243 ( 0.044 7.956 0.439) 7.968 6.399 ( 0.847 -6.798 0.429) 6.864 6.456 ( 0.808 3.850 0.604) 3.980 6.503 ( -0.642 0.325 0.069) 0.722 6.557 ( -0.738 2.339 -0.325) 2.474 6.578 ( -1.745 2.130 -0.523) 2.803 6.614 ( -0.994 -0.354 0.789) 1.318 6.686 ( -0.817 -5.384 -0.886) 5.517 6.794 ( 1.530 3.282 1.654) 3.981 6.869 ( 0.368 -2.595 -0.774) 2.733 7.027 ( -0.853 -0.936 -0.156) 1.276 7.044 ( 0.203 -2.225 -1.075) 2.479 7.240 ( 1.547 2.200 -1.075) 2.896 7.256 ( 2.555 0.932 -0.708) 2.811 7.403 ( -1.878 2.718 0.337) 3.321 7.459 ( -0.737 -2.399 1.798) 3.087 7.580 ( -1.172 2.811 0.328) 3.063 7.676 ( -2.065 -6.296 0.171) 6.629 7.983 ( 4.666 4.114 1.068) 6.312 8.037 ( 6.074 -1.296 0.541) 6.234 8.213 ( 0.761 5.678 -1.449) 5.909 8.329 ( 0.088 -5.313 -0.507) 5.338 8.444 ( -1.761 2.299 -1.704) 3.360 8.493 ( -1.202 -2.136 -2.329) 3.381 8.642 ( -2.804 3.698 1.909) 5.018 8.710 ( -3.945 -3.082 2.686) 5.681 9.161 ( 2.715 0.986 -1.900) 3.458 9.177 ( 1.979 -0.736 1.136) 2.398 9.341 ( -1.878 6.460 0.064) 6.728 9.474 ( -1.435 -6.785 -0.197) 6.938 9.814 ( 0.467 -0.728 0.095) 0.870 9.828 ( 0.435 -2.115 -0.140) 2.164 ======================= Grid point 32 (21/91) ======================= q-point: ( 0.40 0.46 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 0.565 1.981 -0.234) 2.073 1.930 ( 0.660 0.278 -0.268) 0.765 1.986 ( -0.038 2.799 0.014) 2.800 2.051 ( 0.135 -3.628 -0.345) 3.647 2.180 ( -0.496 2.744 -0.815) 2.906 2.210 ( -0.323 0.015 -0.159) 0.360 2.267 ( 1.286 3.120 -0.335) 3.391 2.320 ( -1.677 -1.633 0.546) 2.404 2.356 ( 0.223 5.584 -1.275) 5.732 2.427 ( 1.140 0.032 0.302) 1.179 2.503 ( 1.017 0.284 3.556) 3.709 2.600 ( -2.306 -8.028 5.499) 10.000 2.704 ( -0.580 2.254 -2.464) 3.389 2.780 ( -0.104 -4.611 -4.230) 6.259 2.854 ( 0.588 -0.271 0.578) 0.868 2.903 ( -0.238 -4.075 -2.776) 4.937 3.385 ( 0.072 4.731 3.779) 6.055 3.467 ( 0.861 -3.432 4.237) 5.520 3.723 ( -2.299 6.092 -3.730) 7.504 3.782 ( -2.215 0.099 -4.485) 5.003 4.294 ( 0.040 6.658 3.152) 7.366 4.334 ( -0.329 2.555 3.349) 4.225 4.490 ( 1.775 4.796 -1.367) 5.293 4.502 ( 1.607 3.629 -2.492) 4.686 5.289 ( -0.429 1.290 -0.239) 1.380 5.300 ( -0.972 0.197 0.103) 0.997 5.890 ( 0.791 2.017 -0.106) 2.169 5.920 ( 0.565 -0.813 0.057) 0.991 6.248 ( 0.114 8.090 0.309) 8.097 6.415 ( 0.476 -7.761 0.193) 7.778 6.477 ( 0.517 3.924 0.892) 4.058 6.498 ( 0.359 1.169 -0.147) 1.232 6.540 ( -0.632 0.592 -0.651) 1.083 6.540 ( -1.533 0.706 0.054) 1.688 6.604 ( -0.395 0.626 0.196) 0.766 6.661 ( -0.859 -3.888 -0.447) 4.007 6.829 ( 0.543 2.527 1.803) 3.152 6.870 ( 0.436 -0.533 -1.357) 1.522 7.015 ( -0.229 -0.939 -0.303) 1.013 7.046 ( 0.380 -2.853 -0.433) 2.910 7.247 ( 0.148 3.292 -0.387) 3.318 7.291 ( 0.888 -0.998 -0.663) 1.492 7.398 ( 1.511 3.368 -0.065) 3.692 7.446 ( -1.861 -0.252 1.282) 2.274 7.570 ( 0.177 0.176 0.155) 0.294 7.634 ( -2.004 -5.319 0.172) 5.686 8.083 ( 3.759 5.596 1.447) 6.895 8.160 ( 4.121 -1.062 0.981) 4.368 8.234 ( 4.274 3.797 -1.885) 6.020 8.326 ( -1.326 -5.274 0.165) 5.440 8.371 ( -3.530 2.739 -1.945) 4.873 8.427 ( -3.488 -3.051 -1.497) 4.870 8.613 ( -1.208 3.122 1.214) 3.561 8.669 ( -1.524 -2.407 1.638) 3.286 9.201 ( 2.473 1.476 -1.464) 3.231 9.218 ( 0.842 -0.037 1.090) 1.378 9.304 ( -1.582 6.059 0.043) 6.263 9.445 ( -1.153 -7.416 -0.139) 7.507 9.822 ( 0.244 -0.776 0.044) 0.814 9.835 ( 0.277 -1.997 -0.075) 2.018 ======================= Grid point 65 (22/91) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.985 0.000 21.955) 21.977 0.455 ( 4.204 0.000 22.811) 23.195 0.872 ( -2.995 0.000 44.642) 44.742 1.014 ( -0.808 0.000 -0.857) 1.178 1.531 ( 0.326 0.000 -10.806) 10.811 1.534 ( -6.216 0.000 -17.953) 18.999 1.685 ( -4.951 0.000 -11.113) 12.166 1.846 ( -2.969 0.000 5.482) 6.235 1.924 ( 3.554 0.000 -1.619) 3.905 2.032 ( -0.560 0.000 -0.390) 0.682 2.064 ( 0.704 0.000 1.161) 1.357 2.104 ( 6.878 0.000 5.246) 8.650 2.215 ( -0.701 0.000 -0.361) 0.788 2.281 ( 12.750 0.000 9.243) 15.748 2.355 ( 1.509 0.000 -2.430) 2.860 2.706 ( -3.748 0.000 -9.092) 9.834 2.858 ( -12.039 0.000 -5.455) 13.217 3.157 ( 3.252 0.000 -24.675) 24.889 3.457 ( 0.175 0.000 3.320) 3.325 3.504 ( 0.449 0.000 0.719) 0.848 3.771 ( 0.986 0.000 6.483) 6.557 3.864 ( 6.069 0.000 10.863) 12.443 4.107 ( -2.363 0.000 5.844) 6.303 4.510 ( -2.343 0.000 -4.602) 5.164 5.273 ( 0.257 0.000 1.826) 1.844 5.443 ( -4.587 0.000 -0.905) 4.675 5.470 ( 0.312 0.000 -0.449) 0.547 5.723 ( 0.883 0.000 1.732) 1.944 5.980 ( 1.330 0.000 1.447) 1.965 5.991 ( -3.437 0.000 -3.113) 4.637 6.087 ( 2.736 0.000 -0.721) 2.829 6.192 ( 1.861 0.000 1.948) 2.695 6.277 ( -11.885 0.000 2.382) 12.121 6.405 ( 2.503 0.000 1.803) 3.085 6.596 ( 7.016 0.000 -3.972) 8.063 6.625 ( -3.696 0.000 -2.862) 4.675 6.677 ( 1.201 0.000 -0.102) 1.205 6.746 ( 17.182 0.000 2.500) 17.363 6.832 ( 0.934 0.000 1.767) 1.999 6.947 ( 1.654 0.000 -6.249) 6.464 6.956 ( -0.770 0.000 -0.360) 0.850 6.989 ( -3.115 0.000 3.955) 5.034 7.188 ( -0.995 0.000 3.557) 3.694 7.286 ( 0.462 0.000 -0.643) 0.792 7.385 ( -0.257 0.000 0.292) 0.389 7.465 ( 0.003 0.000 0.024) 0.024 7.512 ( -2.258 0.000 0.450) 2.302 7.639 ( -2.407 0.000 -7.472) 7.850 7.907 ( -6.182 0.000 5.486) 8.265 7.977 ( 5.524 0.000 2.201) 5.947 8.461 ( -1.868 0.000 -0.474) 1.927 8.555 ( 8.613 0.000 1.085) 8.681 8.611 ( 2.428 0.000 -2.817) 3.719 8.945 ( 2.959 0.000 -3.005) 4.217 9.120 ( 1.599 0.000 0.199) 1.611 9.187 ( -2.874 0.000 -6.299) 6.923 9.647 ( -10.577 0.000 10.249) 14.728 10.161 ( 1.734 0.000 -0.650) 1.852 10.640 ( -1.315 0.000 0.413) 1.378 10.827 ( 1.358 0.000 -2.298) 2.669 ======================= Grid point 66 (23/91) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 5.756 0.000 15.751) 16.770 0.744 ( 12.157 0.000 19.002) 22.558 1.006 ( 0.247 0.000 1.250) 1.274 1.281 ( 3.199 0.000 3.117) 4.466 1.371 ( 5.779 0.000 1.865) 6.072 1.442 ( -1.088 0.000 -12.748) 12.795 1.589 ( 7.101 0.000 6.489) 9.619 1.799 ( -4.406 0.000 4.063) 5.993 1.988 ( 2.824 0.000 -0.381) 2.849 2.041 ( 1.940 0.000 0.157) 1.946 2.085 ( 0.490 0.000 -0.188) 0.525 2.155 ( -2.682 0.000 -5.037) 5.707 2.192 ( -1.396 0.000 0.158) 1.405 2.253 ( -11.712 0.000 -3.094) 12.114 2.516 ( 1.292 0.000 0.747) 1.492 2.628 ( 9.425 0.000 4.711) 10.537 2.690 ( -2.625 0.000 -9.316) 9.679 2.985 ( -16.278 0.000 -9.837) 19.019 3.283 ( 2.335 0.000 -15.272) 15.449 3.684 ( 5.531 0.000 7.343) 9.193 3.847 ( 2.725 0.000 4.005) 4.844 3.994 ( 0.715 0.000 8.458) 8.488 4.170 ( 4.158 0.000 7.085) 8.215 4.392 ( -6.167 0.000 -7.592) 9.781 5.295 ( 1.205 0.000 2.935) 3.173 5.379 ( -3.347 0.000 -1.776) 3.789 5.466 ( -0.360 0.000 -0.559) 0.665 5.769 ( 2.446 0.000 2.324) 3.374 5.911 ( -2.939 0.000 -2.356) 3.767 5.983 ( -1.081 0.000 0.116) 1.087 6.093 ( -3.626 0.000 0.866) 3.728 6.126 ( -3.388 0.000 3.255) 4.698 6.235 ( 1.771 0.000 1.034) 2.050 6.455 ( 0.245 0.000 1.495) 1.515 6.547 ( -1.679 0.000 -2.153) 2.730 6.655 ( 2.620 0.000 -1.355) 2.950 6.703 ( 1.935 0.000 -0.710) 2.061 6.783 ( -8.679 0.000 0.430) 8.690 6.856 ( 0.060 0.000 1.826) 1.827 6.912 ( 3.966 0.000 -7.875) 8.817 6.937 ( -0.763 0.000 -0.494) 0.909 7.095 ( 6.687 0.000 1.203) 6.794 7.229 ( -0.300 0.000 2.890) 2.905 7.290 ( 0.383 0.000 -0.778) 0.867 7.383 ( -0.173 0.000 0.387) 0.424 7.419 ( -6.247 0.000 1.522) 6.430 7.467 ( 0.189 0.000 0.021) 0.191 7.617 ( 4.327 0.000 -6.083) 7.465 7.824 ( -4.463 0.000 2.080) 4.924 8.117 ( 6.257 0.000 4.973) 7.992 8.411 ( -2.159 0.000 2.629) 3.402 8.511 ( -6.384 0.000 -0.887) 6.446 8.683 ( 1.269 0.000 -0.762) 1.481 8.971 ( 1.400 0.000 -3.181) 3.476 9.110 ( 2.723 0.000 -9.193) 9.588 9.266 ( 5.912 0.000 -0.259) 5.918 9.645 ( 1.805 0.000 7.259) 7.480 10.182 ( 0.853 0.000 -0.254) 0.890 10.577 ( -5.570 0.000 0.365) 5.582 10.725 ( -6.368 0.000 3.370) 7.204 ======================= Grid point 67 (24/91) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( -3.356 0.000 5.630) 6.554 1.051 ( 0.589 0.000 7.011) 7.035 1.060 ( -6.779 0.000 4.733) 8.268 1.149 ( 10.743 0.000 2.523) 11.036 1.373 ( 4.013 0.000 -12.275) 12.915 1.510 ( 13.303 0.000 -6.463) 14.790 1.759 ( -2.509 0.000 4.488) 5.142 1.894 ( -12.395 0.000 -2.842) 12.717 2.005 ( 0.080 0.000 -1.873) 1.875 2.067 ( -1.289 0.000 -1.713) 2.144 2.088 ( 5.648 0.000 -1.795) 5.926 2.101 ( 3.245 0.000 0.184) 3.250 2.171 ( 14.716 0.000 17.199) 22.635 2.175 ( -1.096 0.000 1.793) 2.101 2.363 ( -24.523 0.000 -1.073) 24.547 2.514 ( -8.674 0.000 -13.776) 16.279 2.659 ( 0.798 0.000 1.737) 1.911 2.927 ( 11.775 0.000 7.108) 13.754 3.298 ( 6.621 0.000 -16.743) 18.004 3.742 ( -3.162 0.000 5.728) 6.543 3.925 ( 2.667 0.000 2.788) 3.859 4.035 ( -0.983 0.000 6.198) 6.276 4.120 ( -9.392 0.000 -13.948) 16.815 4.371 ( 5.294 0.000 8.997) 10.439 5.290 ( -3.036 0.000 -2.912) 4.207 5.381 ( 4.177 0.000 5.950) 7.270 5.455 ( -0.169 0.000 -0.755) 0.773 5.794 ( -1.244 0.000 -2.172) 2.503 5.897 ( 2.004 0.000 4.557) 4.978 5.922 ( -4.341 0.000 -2.140) 4.840 6.060 ( 0.604 0.000 0.294) 0.672 6.131 ( -0.392 0.000 5.164) 5.179 6.267 ( 0.738 0.000 0.595) 0.948 6.396 ( -3.017 0.000 -5.684) 6.435 6.569 ( 1.599 0.000 3.619) 3.956 6.654 ( -4.440 0.000 -1.121) 4.579 6.680 ( -0.474 0.000 0.206) 0.517 6.738 ( 2.179 0.000 -0.584) 2.256 6.842 ( -2.171 0.000 -0.113) 2.174 6.899 ( 2.274 0.000 -9.268) 9.543 6.936 ( 0.511 0.000 1.071) 1.186 7.172 ( -4.261 0.000 -2.036) 4.722 7.196 ( 1.914 0.000 -2.127) 2.861 7.289 ( 0.197 0.000 -1.100) 1.118 7.367 ( -0.356 0.000 4.592) 4.606 7.384 ( -0.058 0.000 0.582) 0.585 7.471 ( 0.108 0.000 0.011) 0.109 7.694 ( 5.167 0.000 -1.203) 5.305 7.775 ( -1.655 0.000 1.374) 2.151 8.257 ( 4.245 0.000 4.369) 6.091 8.362 ( -6.569 0.000 1.915) 6.843 8.415 ( -0.882 0.000 1.223) 1.508 8.687 ( -0.716 0.000 0.537) 0.895 8.958 ( 0.775 0.000 -5.803) 5.854 9.103 ( 0.288 0.000 -2.321) 2.339 9.333 ( 2.244 0.000 -0.912) 2.422 9.750 ( 5.594 0.000 2.785) 6.249 10.187 ( 0.062 0.000 -1.028) 1.030 10.474 ( -5.365 0.000 0.817) 5.427 10.659 ( -3.252 0.000 2.515) 4.111 ======================= Grid point 68 (25/91) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -12.312 0.000 4.908) 13.254 0.775 ( -18.075 0.000 1.202) 18.115 1.064 ( -1.937 0.000 2.683) 3.309 1.450 ( 8.979 0.000 -7.483) 11.689 1.499 ( 11.873 0.000 7.838) 14.227 1.686 ( -28.073 0.000 8.099) 29.218 1.721 ( -2.658 0.000 2.212) 3.458 1.768 ( -0.075 0.000 5.849) 5.849 1.801 ( 9.469 0.000 -9.874) 13.681 1.965 ( -1.766 0.000 -4.554) 4.884 2.036 ( -1.846 0.000 -10.769) 10.926 2.043 ( -0.563 0.000 0.070) 0.568 2.124 ( -1.168 0.000 -0.432) 1.245 2.186 ( 1.255 0.000 1.761) 2.162 2.312 ( -0.719 0.000 -11.610) 11.632 2.684 ( 0.168 0.000 5.745) 5.747 2.776 ( 20.082 0.000 16.091) 25.734 3.163 ( 9.111 0.000 -1.475) 9.229 3.305 ( 4.523 0.000 -6.273) 7.733 3.649 ( -9.460 0.000 2.329) 9.743 3.802 ( -9.779 0.000 -19.490) 21.806 3.955 ( -2.384 0.000 3.608) 4.325 4.083 ( 0.323 0.000 7.092) 7.100 4.511 ( 3.487 0.000 5.207) 6.267 5.237 ( -0.711 0.000 -1.364) 1.538 5.453 ( 0.493 0.000 -0.795) 0.936 5.534 ( 6.635 0.000 9.675) 11.732 5.745 ( -1.958 0.000 -1.371) 2.390 5.813 ( -3.881 0.000 -7.791) 8.704 5.989 ( 3.165 0.000 6.076) 6.850 6.090 ( 1.540 0.000 -0.166) 1.549 6.178 ( 1.408 0.000 8.491) 8.607 6.235 ( -3.817 0.000 -2.443) 4.532 6.341 ( 1.296 0.000 -4.252) 4.445 6.570 ( -3.319 0.000 -2.559) 4.191 6.618 ( 1.188 0.000 3.196) 3.409 6.667 ( -0.377 0.000 -3.068) 3.091 6.772 ( 1.020 0.000 0.896) 1.358 6.786 ( -2.544 0.000 -1.978) 3.222 6.902 ( 3.746 0.000 -7.849) 8.697 6.956 ( 0.487 0.000 1.243) 1.335 7.032 ( -5.762 0.000 -6.168) 8.441 7.208 ( 0.729 0.000 -0.241) 0.768 7.285 ( 0.177 0.000 -1.144) 1.158 7.387 ( -0.084 0.000 0.586) 0.592 7.437 ( 2.369 0.000 7.069) 7.455 7.471 ( -0.132 0.000 0.007) 0.132 7.757 ( 1.463 0.000 -0.013) 1.464 7.787 ( 2.286 0.000 0.216) 2.296 8.164 ( -10.428 0.000 3.130) 10.888 8.399 ( -1.505 0.000 1.536) 2.151 8.440 ( 6.072 0.000 3.246) 6.885 8.658 ( -2.436 0.000 -0.188) 2.443 8.938 ( 1.818 0.000 -7.997) 8.201 9.093 ( -1.299 0.000 2.645) 2.947 9.348 ( 0.604 0.000 -2.669) 2.736 9.877 ( 6.111 0.000 1.060) 6.202 10.168 ( -0.723 0.000 -4.112) 4.175 10.407 ( -2.832 0.000 5.946) 6.586 10.635 ( -0.712 0.000 1.459) 1.624 ======================= Grid point 69 (26/91) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -12.501 0.000 14.372) 19.048 0.459 ( -17.470 0.000 11.036) 20.664 1.039 ( -1.394 0.000 -0.136) 1.401 1.049 ( -35.620 0.000 26.142) 44.184 1.542 ( 5.252 0.000 -8.036) 9.600 1.730 ( 0.406 0.000 -16.014) 16.019 1.758 ( 2.861 0.000 1.183) 3.096 1.820 ( 0.791 0.000 6.788) 6.834 1.912 ( -0.300 0.000 -4.068) 4.079 1.962 ( 11.270 0.000 2.930) 11.645 1.988 ( 4.557 0.000 -4.632) 6.498 2.040 ( -0.103 0.000 0.487) 0.498 2.081 ( -2.557 0.000 -0.231) 2.567 2.215 ( 0.730 0.000 0.469) 0.868 2.329 ( 5.623 0.000 -4.586) 7.256 2.714 ( 0.505 0.000 4.616) 4.643 3.075 ( -0.392 0.000 0.185) 0.433 3.215 ( 5.994 0.000 -12.857) 14.186 3.384 ( 1.871 0.000 -9.359) 9.544 3.494 ( -5.091 0.000 10.333) 11.519 3.647 ( 5.755 0.000 -2.720) 6.365 3.877 ( -8.065 0.000 3.574) 8.821 4.124 ( -1.330 0.000 6.030) 6.175 4.551 ( -0.374 0.000 -0.395) 0.544 5.245 ( 1.355 0.000 0.602) 1.482 5.462 ( 0.813 0.000 -0.631) 1.029 5.622 ( -6.413 0.000 -9.387) 11.369 5.715 ( -0.784 0.000 0.357) 0.862 5.793 ( 9.482 0.000 11.068) 14.574 6.053 ( -1.060 0.000 2.500) 2.715 6.090 ( -0.743 0.000 -2.627) 2.730 6.161 ( -0.453 0.000 -1.768) 1.825 6.313 ( 7.186 0.000 12.901) 14.767 6.359 ( 2.096 0.000 -1.094) 2.365 6.470 ( -6.279 0.000 -4.153) 7.529 6.628 ( -0.231 0.000 -3.562) 3.570 6.652 ( 0.844 0.000 1.636) 1.841 6.711 ( -3.651 0.000 -1.793) 4.068 6.804 ( 1.268 0.000 0.777) 1.487 6.909 ( 2.183 0.000 -6.875) 7.213 6.965 ( -0.138 0.000 0.485) 0.504 6.975 ( 2.126 0.000 1.223) 2.452 7.225 ( -0.144 0.000 0.984) 0.995 7.283 ( 0.331 0.000 -0.873) 0.934 7.387 ( -0.201 0.000 0.418) 0.464 7.467 ( -0.195 0.000 0.015) 0.196 7.513 ( 1.406 0.000 2.963) 3.279 7.736 ( -2.369 0.000 -4.121) 4.753 7.855 ( 4.669 0.000 0.772) 4.732 8.006 ( -8.359 0.000 5.479) 9.995 8.370 ( -1.609 0.000 4.624) 4.896 8.546 ( 1.726 0.000 0.327) 1.757 8.608 ( -1.406 0.000 -0.527) 1.502 8.925 ( 2.221 0.000 -6.876) 7.226 9.096 ( -0.846 0.000 4.563) 4.641 9.314 ( -1.545 0.000 -7.111) 7.277 9.883 ( -7.089 0.000 -9.000) 11.457 10.133 ( 1.299 0.000 -2.197) 2.552 10.543 ( 11.646 0.000 16.999) 20.606 10.643 ( 0.500 0.000 1.450) 1.533 ======================= Grid point 70 (27/91) ======================= q-point: ( 0.00 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.561 ( 5.677 11.996 16.187) 20.932 0.634 ( -3.763 14.362 17.474) 22.930 1.208 ( -1.208 28.134 27.165) 39.127 1.237 ( -0.686 19.668 -0.379) 19.683 1.534 ( -5.961 1.101 -15.338) 16.493 1.602 ( -0.587 5.170 -8.971) 10.371 1.753 ( -2.554 7.506 -10.789) 13.389 1.930 ( -0.879 6.636 4.363) 7.990 2.012 ( 2.806 7.329 -0.700) 7.879 2.071 ( 3.508 2.115 1.261) 4.285 2.160 ( 0.249 8.622 1.415) 8.741 2.223 ( 3.180 11.298 4.152) 12.450 2.271 ( 0.047 6.373 -0.161) 6.375 2.330 ( 5.039 4.568 1.706) 7.012 2.359 ( 5.534 2.801 1.557) 6.394 2.695 ( -2.492 -0.913 -8.018) 8.446 2.867 ( -12.255 1.229 -4.432) 13.089 3.171 ( 3.144 1.361 -21.639) 21.909 3.459 ( -0.859 0.243 3.525) 3.636 3.478 ( 1.898 -1.551 0.604) 2.525 3.737 ( -0.566 -2.951 5.459) 6.231 3.845 ( 5.700 -1.231 9.556) 11.195 4.075 ( -1.320 -3.019 5.542) 6.447 4.465 ( -2.493 -4.422 -3.948) 6.430 5.260 ( 0.253 -0.960 1.403) 1.718 5.385 ( -2.229 -4.302 -0.221) 4.850 5.649 ( 0.622 11.889 -0.645) 11.922 5.707 ( 1.769 1.522 2.827) 3.666 5.969 ( -1.437 -1.515 -4.303) 4.782 6.056 ( 0.922 2.116 -1.883) 2.978 6.193 ( -2.684 4.286 2.411) 5.602 6.269 ( 1.598 4.878 2.079) 5.538 6.334 ( -6.819 6.041 -4.494) 10.158 6.467 ( 1.471 5.461 1.069) 5.755 6.582 ( 4.008 -0.860 -2.784) 4.955 6.634 ( -1.909 0.375 -3.003) 3.578 6.686 ( 1.943 1.754 1.440) 2.988 6.832 ( 3.923 2.471 -4.491) 6.455 6.851 ( 4.572 3.205 -0.650) 5.621 6.916 ( -1.416 1.251 -0.663) 2.003 6.962 ( 1.831 -2.205 1.177) 3.098 7.033 ( 1.643 2.448 -0.130) 2.951 7.236 ( 0.805 3.843 -0.020) 3.927 7.293 ( -1.766 2.334 0.325) 2.945 7.384 ( -1.432 0.825 2.591) 3.073 7.490 ( -0.032 2.691 0.106) 2.694 7.566 ( -2.284 5.108 0.242) 5.600 7.668 ( -2.316 2.746 -7.018) 7.884 7.917 ( -6.966 -0.254 2.409) 7.375 7.980 ( 5.502 1.666 4.327) 7.195 8.514 ( -2.444 -0.505 0.564) 2.558 8.571 ( 0.427 2.467 -3.453) 4.266 8.717 ( 10.910 8.138 -11.385) 17.745 8.915 ( 2.818 -2.856 -2.834) 4.912 9.098 ( 2.593 -2.692 4.046) 5.508 9.159 ( -4.530 -2.061 -9.207) 10.466 9.605 ( -8.284 -3.700 11.053) 14.300 10.120 ( 1.604 -3.927 -0.880) 4.332 10.551 ( -0.025 -13.581 8.190) 15.860 10.589 ( -0.168 -8.041 3.271) 8.682 ======================= Grid point 71 (28/91) ======================= q-point: ( 0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 8.846 10.400 15.230) 20.454 0.896 ( 13.948 11.639 12.848) 22.251 1.212 ( -2.531 19.812 0.941) 19.995 1.310 ( -3.328 2.694 -11.000) 11.804 1.444 ( 3.238 8.244 -3.221) 9.424 1.621 ( -2.880 10.989 -11.451) 16.130 1.646 ( 11.098 11.536 18.296) 24.311 1.912 ( -2.916 9.906 4.508) 11.267 2.068 ( 3.480 5.217 -0.653) 6.305 2.114 ( 0.379 4.541 -1.783) 4.893 2.143 ( -3.759 4.887 0.057) 6.166 2.220 ( -3.507 6.476 -1.476) 7.511 2.256 ( -0.285 8.892 -1.330) 8.995 2.319 ( -4.149 7.308 -0.817) 8.443 2.522 ( 0.291 0.935 -1.599) 1.875 2.648 ( 10.274 2.188 4.337) 11.365 2.697 ( -3.946 1.430 -6.270) 7.545 3.007 ( -15.565 2.346 -8.716) 17.993 3.303 ( 2.362 2.037 -14.377) 14.712 3.648 ( 4.671 -3.365 6.975) 9.044 3.804 ( 2.991 -3.705 3.463) 5.887 3.965 ( 1.010 -2.669 7.217) 7.760 4.142 ( 3.888 -2.652 6.718) 8.203 4.354 ( -5.731 -3.681 -6.365) 9.323 5.271 ( 0.205 -1.482 2.563) 2.968 5.336 ( -2.885 -3.534 -1.502) 4.803 5.643 ( -0.406 13.509 -0.869) 13.543 5.774 ( 2.897 -0.111 3.263) 4.365 5.902 ( -2.435 -0.089 -4.362) 4.996 6.061 ( 0.671 1.809 -0.964) 2.157 6.130 ( -5.543 3.210 1.005) 6.484 6.198 ( -3.926 11.082 -0.160) 11.758 6.314 ( 1.470 5.074 2.542) 5.862 6.495 ( -0.708 3.149 0.571) 3.277 6.552 ( -1.165 0.659 -1.384) 1.925 6.658 ( 3.080 0.368 -1.958) 3.669 6.721 ( 1.545 1.835 0.648) 2.485 6.776 ( -4.480 -1.001 -2.632) 5.292 6.875 ( -1.376 1.760 1.524) 2.704 6.884 ( -0.457 1.211 -3.999) 4.204 7.038 ( 0.197 5.385 -1.023) 5.485 7.062 ( 5.779 -2.793 0.767) 6.464 7.250 ( -0.507 1.942 -0.303) 2.030 7.279 ( -0.464 1.070 1.329) 1.768 7.351 ( -3.257 -0.008 3.057) 4.467 7.490 ( -0.000 2.811 0.123) 2.813 7.544 ( -1.398 8.635 0.391) 8.756 7.628 ( 4.048 1.144 -5.781) 7.150 7.819 ( -4.497 -0.477 1.643) 4.812 8.126 ( 6.466 1.048 4.536) 7.968 8.470 ( -1.711 3.666 -0.036) 4.045 8.515 ( -4.965 -0.103 -0.570) 4.999 8.713 ( -2.640 3.211 -2.657) 4.933 8.943 ( 1.517 -2.665 -2.650) 4.053 9.085 ( 1.588 -2.492 -7.884) 8.419 9.223 ( 6.508 -3.834 -0.880) 7.605 9.616 ( 1.372 -2.721 7.818) 8.391 10.137 ( 0.692 -4.310 -0.556) 4.401 10.512 ( -4.746 -6.365 1.504) 8.081 10.599 ( -2.453 -9.952 4.668) 11.263 ======================= Grid point 72 (29/91) ======================= q-point: ( 0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 1.398 15.476 3.948) 16.033 1.134 ( -9.715 10.521 -0.724) 14.338 1.185 ( 0.978 10.109 1.632) 10.286 1.215 ( 13.305 9.865 10.552) 19.639 1.508 ( 7.505 9.518 -12.334) 17.293 1.549 ( 6.470 6.269 -6.627) 11.184 1.843 ( -3.761 3.541 1.478) 5.372 1.929 ( -8.151 6.857 -0.566) 10.666 2.028 ( 2.854 5.695 7.921) 10.164 2.102 ( -0.905 1.591 -8.554) 8.748 2.145 ( -1.438 7.690 -0.120) 7.824 2.201 ( 4.307 6.888 3.695) 8.925 2.241 ( -1.146 8.833 0.141) 8.908 2.338 ( 4.812 10.250 7.730) 13.710 2.421 ( -6.537 6.220 -2.555) 9.378 2.555 ( -14.524 5.858 -6.675) 17.024 2.672 ( -0.938 1.906 0.873) 2.297 2.921 ( 11.408 -0.313 7.068) 13.423 3.313 ( 5.957 1.606 -15.825) 16.985 3.699 ( -2.790 -4.180 5.056) 7.129 3.881 ( 2.565 -3.952 2.647) 5.404 4.002 ( -1.090 -3.268 4.077) 5.337 4.096 ( -8.168 -2.138 -11.571) 14.324 4.340 ( 4.651 -2.967 8.722) 10.320 5.259 ( -2.575 -2.035 -1.999) 3.843 5.326 ( 2.314 -3.875 4.557) 6.414 5.634 ( 0.240 13.265 -1.049) 13.308 5.818 ( -3.459 -0.941 -2.532) 4.389 5.846 ( 2.525 1.030 0.162) 2.732 6.041 ( -3.342 3.385 3.267) 5.770 6.090 ( 2.572 5.777 -1.745) 6.560 6.176 ( -0.180 7.437 2.818) 7.955 6.340 ( -0.930 3.714 2.153) 4.393 6.437 ( -1.714 3.716 -5.339) 6.727 6.554 ( -0.941 -0.650 0.754) 1.370 6.666 ( -0.522 1.002 0.574) 1.268 6.722 ( -0.288 4.423 1.024) 4.549 6.766 ( 1.943 1.769 0.687) 2.716 6.839 ( -1.760 0.418 -2.530) 3.110 6.863 ( 1.279 -0.698 -3.956) 4.216 7.013 ( -1.962 4.003 -0.517) 4.487 7.159 ( 2.594 -1.054 -0.050) 2.800 7.214 ( -1.209 2.460 -3.400) 4.367 7.240 ( -2.434 -2.099 -2.032) 3.802 7.343 ( -0.328 0.837 4.374) 4.466 7.490 ( -0.054 3.061 0.046) 3.062 7.541 ( 0.709 8.903 1.451) 9.048 7.708 ( 4.750 1.234 0.145) 4.909 7.774 ( -0.945 0.196 0.558) 1.115 8.258 ( 3.072 0.081 4.010) 5.053 8.397 ( -5.247 3.149 1.753) 6.365 8.459 ( 0.256 3.151 -1.484) 3.492 8.663 ( -2.402 -1.734 0.834) 3.078 8.937 ( 0.734 -2.093 -4.869) 5.351 9.072 ( 0.238 -3.021 -2.434) 3.887 9.299 ( 2.937 -3.224 -1.776) 4.709 9.713 ( 4.411 -3.538 4.062) 6.962 10.136 ( -0.287 -4.814 -1.286) 4.992 10.428 ( -4.670 -4.373 0.670) 6.433 10.576 ( -2.088 -7.665 2.757) 8.409 ======================= Grid point 73 (30/91) ======================= q-point: (-0.40 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.840 ( -13.505 9.806 -2.346) 16.854 0.960 ( -11.145 21.788 3.885) 24.779 1.249 ( 0.573 16.367 3.370) 16.721 1.534 ( 12.825 3.505 6.782) 14.925 1.565 ( 8.082 10.139 -7.083) 14.774 1.700 ( -7.234 0.439 2.220) 7.580 1.768 ( -23.748 8.903 8.544) 26.763 1.778 ( 10.339 0.632 -9.890) 14.321 1.906 ( 0.706 10.852 3.521) 11.431 2.018 ( -1.890 0.609 -6.780) 7.065 2.082 ( -0.335 8.682 -5.545) 10.307 2.219 ( -2.368 8.134 0.588) 8.493 2.220 ( 0.240 12.665 0.034) 12.667 2.265 ( 1.914 8.387 0.127) 8.603 2.353 ( -2.711 5.293 -11.730) 13.151 2.682 ( -0.200 0.159 5.776) 5.782 2.812 ( 17.764 3.786 14.656) 23.338 3.151 ( 8.592 -1.011 0.865) 8.695 3.313 ( 3.907 1.044 -6.868) 7.970 3.613 ( -8.503 -3.369 1.444) 9.260 3.795 ( -8.630 -0.514 -17.497) 19.516 3.913 ( -2.020 -3.769 3.631) 5.610 4.053 ( 0.028 -2.813 5.753) 6.404 4.468 ( 2.988 -4.164 5.209) 7.307 5.218 ( -0.439 -1.101 -0.874) 1.473 5.412 ( 2.335 -6.717 5.505) 8.993 5.641 ( 1.134 12.271 -1.112) 12.374 5.719 ( -3.986 0.825 -3.898) 5.636 5.902 ( 3.829 0.790 -0.989) 4.032 6.035 ( 0.168 4.707 2.863) 5.512 6.149 ( 3.770 4.925 0.707) 6.242 6.224 ( 2.607 6.455 4.522) 8.301 6.295 ( -2.605 4.824 -1.276) 5.629 6.410 ( 1.213 4.326 -2.168) 4.988 6.514 ( -1.813 -2.268 -2.886) 4.094 6.681 ( 0.262 3.682 1.531) 3.996 6.729 ( 0.070 6.113 1.226) 6.235 6.767 ( -2.810 -1.273 -0.097) 3.086 6.818 ( 1.631 4.008 -1.404) 4.549 6.877 ( 3.210 -1.317 -6.318) 7.208 6.965 ( -2.332 0.669 -0.833) 2.565 7.091 ( -4.694 4.155 -2.729) 6.837 7.214 ( 0.977 1.167 -0.734) 1.689 7.234 ( 2.156 -2.470 -1.832) 3.756 7.368 ( -0.093 0.724 3.835) 3.904 7.490 ( -0.035 2.637 0.025) 2.638 7.580 ( 1.571 8.809 2.987) 9.434 7.771 ( 1.315 0.798 2.134) 2.631 7.794 ( 2.415 1.281 -0.352) 2.757 8.181 ( -9.320 1.423 2.911) 9.867 8.455 ( 1.031 3.584 -1.803) 4.142 8.463 ( 5.983 3.341 2.695) 7.364 8.621 ( -2.568 -3.284 0.357) 4.185 8.918 ( 1.433 -1.961 -7.260) 7.656 9.062 ( -1.203 -3.083 2.285) 4.022 9.319 ( 1.012 -2.714 -3.179) 4.300 9.813 ( 2.880 -5.973 2.979) 7.270 10.110 ( -0.884 -5.045 -3.098) 5.986 10.364 ( -3.009 -4.090 4.018) 6.475 10.567 ( -0.215 -6.389 1.515) 6.569 ======================= Grid point 74 (31/91) ======================= q-point: (-0.20 0.08 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( -12.531 14.603 3.503) 19.559 0.756 ( -14.592 17.329 8.513) 24.201 1.252 ( -1.631 18.486 0.314) 18.560 1.269 ( -22.666 23.457 21.481) 39.057 1.622 ( 4.168 5.797 -10.039) 12.320 1.725 ( -1.558 1.756 -9.426) 9.714 1.765 ( 5.349 2.128 2.431) 6.249 1.883 ( 3.211 2.242 1.498) 4.193 1.968 ( 4.339 7.220 -0.937) 8.475 1.991 ( 4.088 0.914 -5.748) 7.113 2.085 ( 3.565 10.480 2.139) 11.275 2.186 ( -1.564 10.043 1.611) 10.291 2.214 ( -0.141 15.745 -1.604) 15.827 2.283 ( 1.273 6.669 -0.660) 6.821 2.333 ( 3.559 1.105 -4.125) 5.559 2.709 ( 0.135 -0.385 3.992) 4.013 3.072 ( -0.888 -0.160 0.228) 0.931 3.209 ( 5.055 -0.318 -10.827) 11.954 3.390 ( 2.952 0.577 -6.271) 6.955 3.468 ( -4.491 -2.137 7.348) 8.873 3.660 ( 4.807 1.491 -2.960) 5.839 3.846 ( -7.298 -2.881 3.465) 8.577 4.079 ( -1.600 -3.788 5.472) 6.845 4.504 ( -0.491 -4.502 0.075) 4.529 5.231 ( 1.595 -0.773 0.619) 1.877 5.436 ( -2.672 -7.514 1.770) 8.169 5.640 ( 0.400 6.793 -2.452) 7.233 5.675 ( 0.496 6.832 1.144) 6.944 5.973 ( 3.681 -1.481 -2.071) 4.476 6.054 ( 0.262 3.682 0.033) 3.691 6.209 ( -0.614 4.937 1.684) 5.253 6.227 ( 1.742 4.443 -0.170) 4.775 6.410 ( 9.872 7.851 5.952) 13.947 6.429 ( 0.329 4.523 0.273) 4.543 6.461 ( 0.678 0.324 -7.742) 7.779 6.665 ( -1.496 3.159 -1.342) 3.744 6.704 ( -3.102 -0.731 -1.109) 3.375 6.747 ( 2.274 8.748 -0.580) 9.057 6.832 ( 0.730 1.821 -1.852) 2.698 6.886 ( 2.154 1.192 -2.758) 3.697 6.971 ( 3.245 -0.021 -0.479) 3.280 7.009 ( -3.613 0.998 0.680) 3.810 7.228 ( 0.687 1.988 -0.716) 2.222 7.279 ( 3.173 0.150 -0.531) 3.220 7.382 ( -0.725 0.713 2.974) 3.143 7.489 ( -0.015 2.502 0.071) 2.503 7.613 ( -0.815 7.744 1.614) 7.953 7.754 ( -2.831 1.585 -3.028) 4.437 7.864 ( 4.529 -0.141 1.283) 4.710 8.039 ( -8.006 2.842 4.475) 9.602 8.479 ( 4.675 6.152 -2.084) 8.003 8.576 ( -0.415 1.381 -1.613) 2.163 8.590 ( 4.594 1.117 -0.085) 4.729 8.901 ( 1.720 -2.455 -6.478) 7.138 9.063 ( -0.815 -3.203 4.471) 5.560 9.289 ( -1.388 -2.314 -7.131) 7.625 9.776 ( -9.165 -8.595 -0.013) 12.565 10.094 ( 1.599 -3.697 -1.885) 4.447 10.413 ( 2.904 -8.679 13.312) 16.154 10.580 ( 0.487 -5.941 0.892) 6.027 ======================= Grid point 75 (32/91) ======================= q-point: ( 0.00 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( -0.274 17.071 9.643) 19.608 0.968 ( -0.021 18.445 9.164) 20.596 1.543 ( -4.929 4.189 -13.590) 15.051 1.667 ( 0.031 19.441 -1.176) 19.477 1.704 ( -2.960 8.518 -5.825) 10.735 1.849 ( 1.319 19.663 2.927) 19.923 1.980 ( -0.482 18.938 3.096) 19.196 2.046 ( 5.067 6.432 1.039) 8.254 2.122 ( 2.400 4.742 3.609) 6.425 2.218 ( 4.142 9.791 -1.319) 10.713 2.309 ( -0.579 7.308 3.690) 8.207 2.330 ( -0.337 0.501 -3.381) 3.434 2.412 ( -0.487 9.200 1.863) 9.399 2.519 ( 1.897 12.711 0.818) 12.878 2.663 ( 1.374 15.002 -3.661) 15.503 2.679 ( 0.034 6.742 -2.905) 7.342 2.923 ( -9.460 4.918 0.306) 10.666 3.207 ( 2.652 2.006 -12.380) 12.819 3.444 ( -2.431 -1.012 0.547) 2.689 3.479 ( 3.868 0.610 1.388) 4.154 3.672 ( -1.918 -2.616 2.832) 4.306 3.827 ( 4.091 -0.150 4.417) 6.022 3.999 ( 0.222 -3.921 4.535) 5.999 4.342 ( -2.723 -7.457 -1.810) 8.142 5.243 ( 0.363 -0.735 0.552) 0.989 5.309 ( -1.134 -2.637 -0.524) 2.918 5.717 ( 2.138 1.789 1.666) 3.248 5.877 ( -1.118 2.393 -1.185) 2.895 5.967 ( 0.472 4.803 -2.422) 5.400 6.095 ( -1.744 2.841 2.780) 4.341 6.274 ( -1.626 4.441 1.657) 5.011 6.354 ( 1.299 3.878 1.892) 4.506 6.452 ( -0.696 5.184 -2.117) 5.642 6.527 ( 4.105 -0.727 -0.042) 4.169 6.595 ( -4.041 0.086 1.107) 4.191 6.647 ( 0.795 3.711 -3.948) 5.477 6.746 ( 1.516 3.919 2.351) 4.814 6.840 ( 0.275 0.498 -2.753) 2.812 6.884 ( -2.780 -2.198 -0.313) 3.558 6.938 ( 2.554 4.152 -3.638) 6.082 7.026 ( 0.447 6.233 0.199) 6.252 7.069 ( 3.836 2.275 0.307) 4.471 7.311 ( -0.656 2.488 -0.468) 2.615 7.360 ( 1.726 4.449 0.101) 4.773 7.422 ( -1.337 2.384 3.656) 4.564 7.583 ( 0.033 6.798 0.046) 6.798 7.684 ( -4.710 5.257 -1.970) 7.328 7.753 ( 0.239 5.315 -1.804) 5.618 7.879 ( -2.747 -1.548 0.093) 3.155 8.077 ( 0.492 7.109 4.373) 8.361 8.440 ( -0.808 -5.577 0.786) 5.690 8.654 ( -0.376 4.304 -5.713) 7.163 8.824 ( 8.268 2.435 -11.793) 14.607 8.839 ( 2.321 -4.025 -0.685) 4.696 9.002 ( 1.858 -6.199 4.055) 7.637 9.133 ( -4.221 -0.589 -7.271) 8.428 9.515 ( -5.209 -5.044 10.874) 13.070 10.014 ( 1.300 -6.397 -1.440) 6.684 10.306 ( 0.386 -10.247 7.802) 12.884 10.425 ( -0.667 -9.477 0.055) 9.501 ======================= Grid point 76 (33/91) ======================= q-point: ( 0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 9.012 13.520 9.278) 18.710 1.147 ( 11.587 13.998 9.550) 20.528 1.393 ( -1.991 6.146 -11.116) 12.857 1.603 ( -1.881 8.213 -5.001) 9.798 1.668 ( -0.969 21.822 -0.958) 21.864 1.853 ( 1.637 11.514 -11.861) 16.611 1.992 ( -2.692 13.719 3.940) 14.525 2.119 ( 0.194 4.330 -0.288) 4.344 2.163 ( 2.547 15.195 9.319) 18.006 2.231 ( -4.569 3.855 -3.097) 6.732 2.303 ( 1.063 11.862 5.746) 13.223 2.322 ( -0.672 6.126 0.448) 6.179 2.438 ( 2.186 5.234 -0.445) 5.690 2.572 ( 0.473 9.382 -2.610) 9.750 2.603 ( 0.905 11.374 -3.290) 11.875 2.720 ( 2.105 8.001 0.880) 8.320 2.818 ( -1.556 11.699 3.004) 12.178 3.091 ( -11.404 6.263 -4.581) 13.793 3.364 ( 2.477 3.973 -11.175) 12.116 3.558 ( 1.349 -5.595 5.121) 7.703 3.725 ( 3.565 -3.378 1.896) 5.265 3.898 ( 1.208 -3.693 2.499) 4.620 4.073 ( 3.049 -3.851 5.612) 7.458 4.256 ( -4.432 -5.632 -2.583) 7.618 5.243 ( -0.628 -1.528 1.322) 2.115 5.272 ( -2.157 -1.936 -1.188) 3.132 5.773 ( 1.882 0.466 2.329) 3.030 5.834 ( -1.568 1.652 -2.668) 3.508 5.952 ( -0.238 5.721 -2.250) 6.152 6.085 ( -1.529 3.862 3.906) 5.702 6.252 ( -0.629 6.576 -1.478) 6.770 6.377 ( -1.278 1.701 2.933) 3.623 6.422 ( -1.625 9.350 0.168) 9.492 6.534 ( -1.116 0.867 -0.779) 1.614 6.585 ( 0.948 1.732 1.139) 2.279 6.667 ( 3.236 0.841 -3.508) 4.846 6.752 ( -2.808 0.036 -4.576) 5.370 6.786 ( 1.300 4.232 2.020) 4.867 6.898 ( -1.215 0.015 1.016) 1.584 6.944 ( 0.995 2.772 -2.698) 3.994 7.051 ( 3.305 3.261 -0.902) 4.730 7.114 ( 0.176 2.826 1.653) 3.279 7.274 ( -2.760 0.658 -0.024) 2.837 7.366 ( -1.151 5.737 -0.681) 5.891 7.403 ( -2.963 5.111 4.458) 7.401 7.578 ( -0.522 5.791 -0.041) 5.815 7.662 ( 3.726 2.794 -3.738) 5.971 7.742 ( -0.204 9.574 -0.543) 9.592 7.809 ( -3.131 0.053 1.288) 3.386 8.170 ( 5.239 3.787 3.322) 7.268 8.429 ( -0.629 -5.488 -0.288) 5.531 8.585 ( -3.453 4.833 -2.101) 6.300 8.783 ( -5.112 2.861 -5.026) 7.719 8.870 ( 1.225 -4.413 -0.659) 4.627 9.006 ( -0.132 -5.340 -3.874) 6.599 9.145 ( 6.415 -3.050 -3.405) 7.877 9.543 ( 0.695 -4.424 8.482) 9.592 10.022 ( 0.473 -6.850 -1.275) 6.984 10.341 ( -1.184 -9.739 4.631) 10.849 10.399 ( -2.011 -9.874 0.706) 10.102 ======================= Grid point 77 (34/91) ======================= q-point: ( 0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( -4.118 10.744 -2.072) 11.691 1.297 ( 11.709 8.699 3.589) 15.021 1.461 ( 7.306 13.992 5.519) 16.722 1.593 ( -1.111 18.291 2.705) 18.524 1.634 ( 4.610 8.698 -5.789) 11.420 1.803 ( 2.042 12.843 -12.322) 17.915 1.883 ( -6.915 2.542 -0.680) 7.398 2.112 ( -0.900 1.912 -5.482) 5.875 2.124 ( -1.953 9.411 -2.808) 10.013 2.256 ( -2.023 12.311 5.190) 13.513 2.313 ( -0.883 7.156 2.818) 7.741 2.398 ( 4.467 13.563 3.911) 14.806 2.463 ( 1.818 8.915 -0.285) 9.103 2.484 ( -4.702 8.754 -8.447) 13.042 2.620 ( -4.297 14.256 4.702) 15.615 2.727 ( 0.304 7.137 5.713) 9.147 2.843 ( -7.102 16.368 -0.527) 17.850 2.944 ( 8.063 4.273 6.649) 11.291 3.366 ( 3.935 3.550 -12.140) 13.247 3.586 ( -1.193 -6.478 2.877) 7.188 3.788 ( 1.713 -4.824 1.659) 5.381 3.910 ( -1.073 -5.514 -1.322) 5.771 4.051 ( -4.886 -1.872 -5.413) 7.529 4.257 ( 2.862 -5.105 7.794) 9.747 5.222 ( -1.626 -1.646 -1.086) 2.556 5.256 ( 0.605 -2.457 2.320) 3.433 5.774 ( -1.769 0.847 -1.922) 2.746 5.826 ( 1.569 0.478 -0.231) 1.656 5.937 ( 0.205 5.927 -2.129) 6.301 6.090 ( -1.102 5.988 5.351) 8.106 6.241 ( 0.983 7.129 -2.228) 7.534 6.342 ( -2.955 0.202 1.952) 3.547 6.410 ( -0.315 9.420 2.622) 9.783 6.509 ( -1.286 2.971 -5.011) 5.966 6.585 ( -0.604 4.355 -2.120) 4.881 6.687 ( 2.356 0.417 1.872) 3.038 6.751 ( 2.466 -1.416 -4.267) 5.128 6.814 ( -0.075 2.390 1.746) 2.961 6.863 ( -0.453 2.299 -0.223) 2.354 6.938 ( -0.051 6.448 -0.706) 6.486 7.056 ( -3.778 2.023 1.120) 4.430 7.164 ( 3.918 0.691 -1.041) 4.112 7.235 ( 0.037 1.776 -0.599) 1.875 7.302 ( -4.378 5.506 -1.584) 7.210 7.394 ( -1.160 4.259 4.698) 6.446 7.568 ( -0.293 5.023 -0.336) 5.043 7.700 ( 1.451 3.928 -1.197) 4.355 7.766 ( 0.834 6.222 3.314) 7.099 7.808 ( 3.314 4.408 -0.914) 5.590 8.264 ( 0.567 0.674 3.403) 3.515 8.420 ( 1.337 -3.304 -1.409) 3.832 8.523 ( -1.432 4.704 -0.872) 4.994 8.662 ( -5.072 1.931 -0.488) 5.450 8.876 ( 0.314 -3.996 -1.778) 4.385 8.988 ( 0.298 -5.144 -3.248) 6.091 9.221 ( 3.908 -3.974 -3.276) 6.465 9.620 ( 1.893 -5.500 6.365) 8.622 10.013 ( -0.395 -7.047 -1.889) 7.306 10.310 ( -3.281 -7.089 0.333) 7.818 10.385 ( -0.572 -10.607 2.526) 10.918 ======================= Grid point 78 (35/91) ======================= q-point: (-0.40 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -7.999 14.254 -2.636) 16.556 1.347 ( -15.075 15.349 2.006) 21.607 1.557 ( 9.870 9.028 6.010) 14.665 1.677 ( 2.656 11.856 2.916) 12.495 1.756 ( 4.718 6.743 -12.398) 14.880 1.777 ( 3.736 7.939 3.127) 9.315 1.857 ( 7.333 7.915 -2.931) 11.181 2.032 ( -2.893 2.496 -8.910) 9.695 2.088 ( -4.744 13.053 -0.204) 13.890 2.123 ( -7.959 17.673 2.886) 19.596 2.316 ( -1.264 11.869 3.256) 12.373 2.358 ( -0.692 6.761 -6.029) 9.085 2.429 ( -0.516 8.077 -0.283) 8.099 2.515 ( 1.146 16.903 0.242) 16.944 2.593 ( 0.700 14.172 -1.149) 14.235 2.714 ( -2.516 4.071 3.825) 6.126 2.946 ( 9.147 10.194 7.680) 15.703 3.129 ( 5.536 -1.149 6.406) 8.544 3.354 ( 2.112 2.978 -6.232) 7.222 3.535 ( -4.663 -3.515 -1.227) 5.967 3.782 ( -3.252 -1.386 -8.791) 9.475 3.822 ( -2.593 -4.351 0.503) 5.090 3.991 ( -0.880 -2.495 1.916) 3.267 4.351 ( 1.739 -7.197 5.261) 9.083 5.203 ( 0.220 -0.324 -0.494) 0.630 5.295 ( 1.462 -4.355 2.359) 5.164 5.722 ( -1.818 1.663 -2.770) 3.708 5.855 ( 1.553 1.622 0.033) 2.246 5.939 ( 1.613 5.241 -2.200) 5.908 6.107 ( -1.206 5.990 6.068) 8.612 6.263 ( 2.073 5.614 -0.221) 5.989 6.313 ( -0.948 0.573 -0.258) 1.138 6.439 ( 0.570 4.578 1.811) 4.956 6.452 ( 0.155 3.509 -2.592) 4.365 6.568 ( 1.630 7.971 -4.185) 9.150 6.719 ( -2.040 -2.640 -1.499) 3.657 6.758 ( 1.359 3.346 1.921) 4.091 6.818 ( 0.371 0.423 -0.964) 1.116 6.891 ( 3.091 3.829 -1.268) 5.082 6.950 ( 0.709 6.912 -0.450) 6.963 6.980 ( -3.399 2.452 1.059) 4.323 7.133 ( -5.021 0.601 -1.599) 5.303 7.243 ( 0.381 2.326 -0.294) 2.375 7.288 ( 3.720 5.888 -1.646) 7.156 7.409 ( -0.595 3.345 4.429) 5.582 7.565 ( 0.298 4.822 -0.299) 4.840 7.724 ( 1.711 3.489 -0.333) 3.900 7.800 ( 1.514 3.933 2.344) 4.822 7.863 ( 0.415 6.002 1.709) 6.255 8.211 ( -6.131 1.457 2.605) 6.819 8.469 ( 1.078 -4.319 1.427) 4.674 8.527 ( 4.398 2.583 -6.225) 8.047 8.618 ( 1.060 5.084 1.899) 5.529 8.862 ( 0.396 -3.527 -4.786) 5.958 8.973 ( -0.957 -5.574 0.756) 5.706 9.252 ( 1.901 -3.600 -3.892) 5.632 9.668 ( -1.942 -7.848 6.113) 10.136 9.991 ( 0.080 -6.438 -2.528) 6.917 10.255 ( -2.694 -6.504 1.736) 7.250 10.400 ( 0.680 -9.771 1.350) 9.887 ======================= Grid point 79 (36/91) ======================= q-point: (-0.20 0.15 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( -6.706 19.117 -0.114) 20.260 1.057 ( -16.169 14.360 8.258) 23.148 1.668 ( -0.051 20.416 -0.123) 20.416 1.702 ( 0.315 3.681 -12.176) 12.724 1.736 ( 0.427 6.393 1.648) 6.615 1.868 ( -2.643 15.036 1.815) 15.374 1.923 ( 3.047 2.678 -1.155) 4.218 1.954 ( -0.686 21.544 9.705) 23.638 2.041 ( 6.459 7.506 -6.119) 11.641 2.146 ( 4.594 8.811 -3.194) 10.437 2.311 ( -1.665 11.081 3.522) 11.746 2.340 ( 2.165 1.639 -5.812) 6.415 2.411 ( -1.468 9.465 2.210) 9.830 2.510 ( -0.854 14.946 0.261) 14.973 2.622 ( 3.364 21.916 -2.638) 22.329 2.705 ( -1.144 0.885 1.818) 2.323 3.075 ( -2.965 0.607 1.043) 3.201 3.200 ( 3.142 -0.807 -2.432) 4.054 3.393 ( 3.196 -0.327 1.716) 3.642 3.450 ( -0.832 1.428 -3.620) 3.980 3.717 ( 1.929 4.406 -2.519) 5.429 3.769 ( -4.508 -4.407 2.825) 6.909 3.992 ( -1.052 -4.296 2.793) 5.230 4.378 ( -0.934 -7.829 1.369) 8.002 5.220 ( 1.477 -0.248 0.045) 1.498 5.321 ( 0.024 -3.917 0.770) 3.992 5.691 ( 0.096 2.445 -0.828) 2.583 5.880 ( 0.962 3.101 -0.078) 3.248 5.961 ( 1.807 3.769 -2.282) 4.762 6.110 ( -2.028 3.864 4.164) 6.032 6.287 ( -1.058 3.312 2.057) 4.040 6.315 ( 2.003 4.278 0.158) 4.727 6.450 ( 3.054 -0.264 -3.661) 4.775 6.478 ( 0.347 2.854 1.371) 3.185 6.608 ( 2.874 6.954 0.295) 7.530 6.669 ( -1.101 -0.164 -2.909) 3.115 6.747 ( -2.827 3.885 0.823) 4.875 6.823 ( 1.390 -0.355 -1.929) 2.404 6.915 ( 0.699 5.144 -3.349) 6.178 6.947 ( 1.476 0.964 -0.514) 1.836 7.003 ( 1.254 5.769 2.660) 6.475 7.031 ( -2.663 2.855 -1.911) 4.347 7.291 ( 3.411 0.784 0.487) 3.534 7.322 ( 1.560 6.381 -1.861) 6.828 7.420 ( -1.073 2.561 3.786) 4.695 7.575 ( 0.718 6.075 -0.055) 6.117 7.749 ( 1.227 2.749 -1.202) 3.241 7.810 ( -6.599 4.829 1.154) 8.258 7.857 ( 2.972 1.977 1.117) 3.740 8.119 ( -5.854 5.086 3.955) 8.705 8.455 ( -1.711 -5.487 1.282) 5.889 8.615 ( 9.383 2.632 -10.100) 14.035 8.705 ( 5.997 6.846 0.519) 9.116 8.831 ( 0.377 -4.154 -5.551) 6.944 8.969 ( -0.758 -6.044 3.721) 7.138 9.236 ( -0.649 -2.656 -6.344) 6.908 9.603 ( -8.744 -8.115 7.200) 13.934 9.995 ( 1.629 -5.921 -1.928) 6.436 10.252 ( -0.242 -7.700 6.224) 9.903 10.421 ( 0.767 -9.510 0.458) 9.552 ======================= Grid point 80 (37/91) ======================= q-point: ( 0.00 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -1.975 16.367 5.788) 17.472 1.344 ( 1.558 18.344 3.385) 18.718 1.645 ( -4.187 6.165 -9.987) 12.461 1.814 ( -0.894 5.545 -3.175) 6.452 1.999 ( 2.736 4.366 -4.949) 7.144 2.051 ( 1.344 12.895 -2.721) 13.247 2.156 ( 6.401 4.530 4.495) 9.038 2.223 ( 2.852 6.412 -4.120) 8.138 2.297 ( -4.516 3.558 -1.108) 5.855 2.320 ( 1.290 0.676 -4.126) 4.375 2.429 ( 0.972 6.561 -0.186) 6.635 2.577 ( 0.140 5.398 -2.831) 6.097 2.641 ( -1.992 2.843 6.446) 7.322 2.667 ( -1.955 26.214 7.379) 27.303 2.798 ( -0.956 11.883 -0.731) 11.944 2.990 ( -1.612 5.362 2.367) 6.079 3.163 ( 2.012 19.235 0.628) 19.350 3.264 ( 0.632 5.140 -2.048) 5.569 3.445 ( -0.304 -1.887 0.477) 1.970 3.458 ( -0.186 1.178 -2.242) 2.539 3.660 ( 0.413 0.579 1.961) 2.086 3.872 ( 0.583 5.977 -3.856) 7.136 3.960 ( 1.191 0.972 4.167) 4.441 4.190 ( -2.507 -6.618 1.746) 7.289 5.232 ( 0.052 -0.132 -0.759) 0.772 5.288 ( -0.371 0.346 -0.141) 0.526 5.759 ( 1.262 2.215 0.426) 2.585 5.874 ( -0.993 -0.043 -0.481) 1.104 5.994 ( -0.247 -0.624 0.405) 0.784 6.217 ( -0.591 6.402 0.636) 6.460 6.348 ( -0.098 2.949 2.060) 3.599 6.428 ( 1.367 2.066 1.324) 2.809 6.493 ( 1.608 -1.611 1.713) 2.849 6.499 ( -1.861 -0.476 -0.825) 2.091 6.605 ( 0.211 2.593 0.654) 2.683 6.749 ( -0.259 3.530 -3.258) 4.811 6.812 ( 1.144 2.755 0.768) 3.081 6.845 ( 0.830 1.789 -0.157) 1.979 6.928 ( -3.719 5.417 -1.754) 6.801 6.998 ( 1.077 1.487 -3.649) 4.085 7.097 ( 1.317 2.261 0.809) 2.739 7.180 ( 0.975 6.239 0.496) 6.334 7.333 ( -2.172 0.641 2.575) 3.429 7.456 ( 1.175 1.127 2.316) 2.831 7.481 ( 1.950 7.183 -1.656) 7.625 7.721 ( 0.451 5.548 -2.050) 5.932 7.735 ( 0.970 -4.410 0.779) 4.582 7.807 ( -4.662 7.372 -0.305) 8.728 7.995 ( -2.147 10.344 0.485) 10.575 8.220 ( 1.222 4.626 2.138) 5.241 8.316 ( -1.313 -4.780 1.073) 5.071 8.696 ( 0.102 -1.159 -6.035) 6.146 8.751 ( 3.385 -3.714 -4.258) 6.587 8.825 ( 3.459 -4.308 -4.708) 7.259 8.934 ( 1.406 2.558 1.680) 3.367 9.131 ( -2.995 0.474 -3.341) 4.512 9.412 ( -3.201 -5.021 9.550) 11.254 9.876 ( 0.955 -7.128 -2.033) 7.473 10.121 ( 0.181 -8.409 4.215) 9.408 10.225 ( -0.417 -10.086 -0.183) 10.097 ======================= Grid point 81 (38/91) ======================= q-point: ( 0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( 7.850 13.378 3.554) 15.913 1.444 ( 5.543 14.961 5.066) 16.739 1.551 ( 1.009 9.193 -5.498) 10.759 1.768 ( -0.880 8.096 -2.610) 8.552 1.995 ( 2.253 5.235 -11.304) 12.659 2.037 ( -2.679 11.366 -2.056) 11.857 2.142 ( -7.505 5.050 -3.431) 9.675 2.204 ( -0.081 3.947 -4.455) 5.953 2.297 ( 1.479 2.692 -1.949) 3.638 2.349 ( 2.273 1.921 3.938) 4.936 2.429 ( 0.131 4.276 3.346) 5.431 2.549 ( -0.427 6.923 -2.115) 7.252 2.677 ( 1.260 8.005 3.641) 8.884 2.694 ( 1.000 16.385 2.391) 16.589 2.824 ( 2.274 12.617 3.723) 13.350 2.995 ( 0.019 12.324 3.912) 12.929 3.113 ( -6.833 14.705 2.110) 16.351 3.257 ( -1.558 10.664 -1.684) 10.908 3.401 ( -1.357 -5.026 -1.389) 5.389 3.484 ( 2.822 3.249 -2.371) 4.913 3.700 ( 1.646 1.208 2.268) 3.051 3.856 ( 1.006 1.643 -5.916) 6.222 4.023 ( 1.975 0.052 4.658) 5.059 4.150 ( -2.664 -4.207 1.878) 5.322 5.215 ( -1.174 -0.674 -0.631) 1.493 5.265 ( -1.718 0.731 -0.052) 1.868 5.788 ( 1.097 0.971 0.884) 1.711 5.848 ( -0.805 1.189 -1.600) 2.150 5.986 ( -0.693 0.111 0.424) 0.820 6.223 ( 0.587 6.646 1.144) 6.770 6.346 ( -1.513 2.843 0.732) 3.303 6.418 ( -3.460 2.619 2.605) 5.061 6.495 ( 3.487 -0.692 0.740) 3.631 6.561 ( 2.048 -1.624 0.398) 2.644 6.607 ( 0.544 4.396 0.446) 4.452 6.700 ( -2.360 1.408 -2.702) 3.854 6.809 ( -0.895 3.666 -3.259) 4.986 6.875 ( 0.989 1.506 -2.252) 2.884 6.904 ( 1.434 4.446 1.902) 5.043 6.979 ( 0.465 1.589 -1.839) 2.475 7.134 ( 2.912 3.389 0.340) 4.481 7.188 ( -1.441 4.503 1.784) 5.053 7.280 ( -3.793 -0.054 1.736) 4.172 7.482 ( -1.850 5.198 -1.200) 5.646 7.501 ( 0.208 4.104 3.310) 5.276 7.709 ( 0.130 6.086 -2.579) 6.611 7.738 ( 0.482 4.558 -0.591) 4.621 7.785 ( 2.295 0.850 0.578) 2.515 7.963 ( -0.917 10.305 0.123) 10.347 8.270 ( 1.520 1.491 1.972) 2.902 8.306 ( 0.494 -2.078 -0.099) 2.138 8.652 ( -1.242 0.825 -3.832) 4.111 8.755 ( -0.394 -6.261 -2.969) 6.940 8.825 ( -2.398 -0.278 -1.857) 3.046 8.916 ( -1.049 -1.174 -1.668) 2.293 9.117 ( 3.063 0.321 -2.577) 4.016 9.448 ( 0.321 -4.835 8.201) 9.525 9.876 ( 0.433 -7.490 -2.004) 7.766 10.150 ( 0.209 -9.034 3.546) 9.708 10.202 ( -1.786 -9.592 -0.371) 9.764 ======================= Grid point 82 (39/91) ======================= q-point: ( 0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 1.338 10.256 -6.001) 11.957 1.515 ( 6.781 12.013 5.287) 14.773 1.713 ( 9.545 10.678 5.112) 15.208 1.782 ( 4.277 8.253 -1.397) 9.400 1.901 ( -9.229 9.834 -0.699) 13.505 1.926 ( -3.824 3.182 -3.666) 6.179 2.022 ( 0.016 7.248 -9.595) 12.025 2.173 ( 1.226 4.697 -7.733) 9.130 2.250 ( -2.157 3.191 -5.966) 7.101 2.399 ( 1.352 1.965 1.626) 2.887 2.482 ( 0.380 8.715 3.273) 9.317 2.548 ( 0.299 3.377 2.983) 4.516 2.717 ( 1.365 11.635 -1.234) 11.779 2.733 ( 1.959 14.374 3.188) 14.853 2.879 ( 0.337 10.286 2.946) 10.705 2.954 ( -9.325 15.820 5.507) 19.172 3.059 ( -0.011 7.923 6.652) 10.345 3.208 ( -0.484 14.860 -3.112) 15.190 3.381 ( -0.255 -4.498 -0.198) 4.510 3.523 ( 2.660 2.201 -3.377) 4.830 3.728 ( -0.018 1.105 1.058) 1.530 3.833 ( 0.815 0.178 -5.720) 5.781 4.044 ( -1.680 1.935 -0.510) 2.613 4.154 ( 0.735 -4.405 5.705) 7.245 5.197 ( -0.248 -0.505 -0.013) 0.563 5.238 ( -0.970 0.289 0.281) 1.050 5.794 ( -1.233 1.281 0.468) 1.839 5.841 ( 1.847 1.659 -2.486) 3.514 5.977 ( -0.624 0.666 0.434) 1.011 6.250 ( 1.164 6.665 2.098) 7.084 6.307 ( -2.699 0.251 1.469) 3.083 6.384 ( -1.544 5.042 0.944) 5.357 6.538 ( -0.343 3.466 -1.057) 3.640 6.554 ( -1.486 1.173 -2.162) 2.874 6.654 ( 2.933 0.397 2.385) 3.801 6.676 ( 1.595 -1.202 -1.388) 2.432 6.766 ( -0.337 2.037 -3.381) 3.962 6.850 ( -0.590 3.043 -2.792) 4.172 6.947 ( 1.338 4.838 2.173) 5.470 7.020 ( 3.294 2.816 -0.684) 4.388 7.135 ( -4.263 4.734 0.597) 6.398 7.183 ( -1.162 1.219 2.177) 2.752 7.276 ( 4.575 1.522 0.431) 4.840 7.397 ( -6.290 3.358 0.344) 7.139 7.501 ( -1.851 5.827 3.701) 7.147 7.696 ( -0.080 7.645 -2.359) 8.001 7.769 ( 1.536 4.171 0.050) 4.446 7.846 ( 3.794 2.542 -0.873) 4.649 7.974 ( 2.010 9.030 0.168) 9.252 8.274 ( -1.387 -2.331 1.681) 3.191 8.338 ( 1.465 -0.193 0.146) 1.485 8.607 ( -1.348 2.018 -2.917) 3.794 8.691 ( -1.955 -1.499 -2.874) 3.785 8.798 ( -1.070 -2.208 3.873) 4.585 8.894 ( 0.259 -2.542 -4.770) 5.411 9.162 ( 3.160 -1.593 -3.072) 4.686 9.505 ( -0.124 -5.723 7.370) 9.332 9.866 ( 0.123 -7.388 -2.375) 7.761 10.157 ( -2.393 -8.042 -0.207) 8.393 10.176 ( 0.410 -9.722 2.082) 9.951 ======================= Grid point 83 (40/91) ======================= q-point: (-0.40 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.381 ( -2.889 14.900 -3.156) 15.502 1.600 ( -15.292 10.445 1.623) 18.590 1.700 ( 6.452 6.929 4.838) 10.632 1.828 ( -0.763 5.693 0.126) 5.745 1.888 ( 7.456 6.559 -7.003) 12.151 1.970 ( 4.143 3.464 -3.248) 6.302 2.022 ( 4.750 11.667 0.930) 12.631 2.141 ( -0.287 7.469 -6.102) 9.649 2.202 ( 3.454 2.873 -5.956) 7.460 2.413 ( 0.538 5.030 -3.687) 6.260 2.459 ( -2.337 3.388 -2.007) 4.579 2.580 ( -0.946 6.804 6.456) 9.427 2.705 ( -2.606 22.094 0.692) 22.258 2.754 ( -4.239 5.854 3.593) 8.071 2.852 ( -1.757 14.038 4.105) 14.731 2.915 ( 2.973 14.240 0.532) 14.557 3.094 ( -2.184 -1.252 8.653) 9.012 3.206 ( 2.127 12.118 -3.655) 12.835 3.392 ( 1.127 -0.077 0.302) 1.169 3.527 ( 0.319 2.841 -3.629) 4.620 3.711 ( -1.727 -2.170 -0.517) 2.821 3.829 ( 1.682 5.089 -2.165) 5.781 3.996 ( -2.263 3.675 -1.402) 4.538 4.202 ( 0.163 -6.678 4.708) 8.172 5.205 ( 0.860 0.543 0.042) 1.018 5.243 ( 1.309 -0.878 0.556) 1.671 5.766 ( -1.292 2.517 -0.830) 2.948 5.867 ( 1.800 1.050 -1.369) 2.493 5.974 ( 0.222 0.393 0.465) 0.648 6.260 ( -2.126 4.715 2.352) 5.682 6.307 ( 1.720 1.210 2.287) 3.107 6.365 ( -0.838 4.518 -0.352) 4.609 6.491 ( -1.412 2.600 -3.243) 4.390 6.537 ( 0.011 3.330 0.599) 3.383 6.649 ( -2.416 -2.135 -0.058) 3.225 6.719 ( 2.185 1.546 -2.363) 3.570 6.795 ( 3.007 1.547 -0.992) 3.524 6.845 ( 1.575 3.424 -0.973) 3.892 6.973 ( 0.206 3.831 0.830) 3.925 7.055 ( -2.476 5.212 -1.389) 5.935 7.062 ( 0.540 3.422 0.979) 3.600 7.170 ( -1.370 3.096 1.811) 3.840 7.288 ( -3.942 1.858 0.784) 4.428 7.388 ( 5.535 2.990 0.158) 6.293 7.494 ( -1.483 4.711 3.202) 5.886 7.669 ( -0.758 5.392 -1.828) 5.743 7.782 ( -0.337 3.640 0.228) 3.663 7.892 ( 1.492 4.722 -0.807) 5.017 8.019 ( 1.464 7.955 0.775) 8.126 8.240 ( -3.314 1.556 2.492) 4.429 8.357 ( 0.100 -4.750 1.013) 4.858 8.579 ( 2.846 1.780 -6.228) 7.075 8.695 ( 2.637 -1.122 -1.240) 3.122 8.815 ( 0.251 -0.418 4.113) 4.141 8.862 ( -0.477 -2.585 -4.596) 5.295 9.191 ( 2.181 -2.144 -3.395) 4.569 9.517 ( -3.979 -6.952 7.349) 10.871 9.859 ( 0.887 -6.763 -2.406) 7.233 10.114 ( -2.037 -7.333 0.687) 7.641 10.199 ( 0.974 -9.715 0.982) 9.813 ======================= Grid point 84 (41/91) ======================= q-point: (-0.20 0.23 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( -6.361 17.259 -0.799) 18.411 1.351 ( -8.508 15.146 5.137) 18.115 1.788 ( -2.568 4.944 -10.035) 11.478 1.801 ( 2.293 3.506 2.439) 4.847 1.969 ( 4.676 4.618 0.358) 6.582 2.018 ( 3.367 4.894 -2.956) 6.635 2.055 ( 0.581 11.880 -2.499) 12.153 2.167 ( 5.536 9.447 -1.743) 11.087 2.289 ( 5.597 4.416 -2.766) 7.648 2.365 ( -0.548 2.165 -7.827) 8.139 2.414 ( -1.047 4.418 -0.319) 4.552 2.585 ( -1.393 5.452 2.630) 6.211 2.660 ( -3.618 27.260 5.860) 28.116 2.689 ( -4.914 6.579 6.192) 10.285 2.843 ( -1.667 12.176 -1.268) 12.355 2.991 ( 2.865 5.351 -0.740) 6.114 3.099 ( -0.511 6.825 6.302) 9.304 3.242 ( 3.192 7.352 -1.837) 8.223 3.415 ( 1.721 3.284 -1.087) 3.863 3.500 ( -0.990 2.338 -2.555) 3.602 3.671 ( -2.160 -3.493 0.626) 4.155 3.861 ( 1.786 9.253 0.479) 9.436 3.951 ( -1.325 1.558 -1.028) 2.289 4.213 ( -1.483 -7.517 3.062) 8.251 5.223 ( 1.136 0.581 -0.507) 1.373 5.277 ( 1.450 -0.616 0.265) 1.598 5.747 ( -0.047 3.000 -0.541) 3.049 5.883 ( 0.380 -0.040 -0.369) 0.531 5.988 ( 0.607 -0.222 0.422) 0.772 6.234 ( -1.781 5.344 1.346) 5.791 6.340 ( -0.360 2.305 1.707) 2.891 6.376 ( 2.762 1.269 0.759) 3.133 6.468 ( -0.012 2.396 -0.319) 2.417 6.541 ( -0.723 2.145 0.380) 2.295 6.606 ( -1.428 -0.996 0.034) 1.741 6.740 ( 2.582 0.965 -3.865) 4.747 6.822 ( 0.544 2.205 -1.234) 2.585 6.841 ( -2.031 5.306 1.384) 5.847 6.980 ( 1.729 2.758 -2.573) 4.149 7.023 ( -3.842 4.113 0.969) 5.711 7.061 ( 1.320 3.220 -1.005) 3.622 7.157 ( 0.470 6.010 1.392) 6.187 7.302 ( 2.635 0.513 1.830) 3.249 7.450 ( 0.635 3.222 0.514) 3.324 7.475 ( -1.325 5.317 0.169) 5.483 7.677 ( 2.490 1.251 -0.306) 2.803 7.760 ( -1.644 2.211 -0.491) 2.798 7.883 ( -2.368 5.043 -0.476) 5.591 8.022 ( -1.600 10.445 1.953) 10.746 8.210 ( -1.148 1.829 1.487) 2.622 8.341 ( -2.491 -3.895 2.395) 5.207 8.654 ( 9.816 1.300 -10.639) 14.534 8.723 ( 1.067 -4.746 -2.266) 5.366 8.823 ( -1.085 -5.754 -1.082) 5.954 8.870 ( 2.943 5.583 2.454) 6.772 9.192 ( 0.109 -1.549 -4.274) 4.547 9.457 ( -7.019 -6.508 8.531) 12.822 9.867 ( 1.347 -6.687 -2.142) 7.150 10.100 ( -0.629 -7.433 2.903) 8.004 10.220 ( 0.743 -10.018 0.232) 10.048 ======================= Grid point 85 (42/91) ======================= q-point: ( 0.00 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( -1.751 13.642 2.755) 14.027 1.677 ( 1.728 14.170 0.214) 14.277 1.782 ( -3.207 7.404 -5.785) 9.929 1.908 ( 0.776 3.911 -1.320) 4.200 2.076 ( 1.650 3.927 -2.742) 5.066 2.193 ( 3.376 1.132 0.572) 3.606 2.213 ( 4.299 2.145 -3.839) 6.150 2.278 ( -3.044 -0.696 -4.305) 5.318 2.323 ( 1.985 1.075 -5.602) 6.040 2.388 ( -2.371 3.676 -0.726) 4.434 2.525 ( 2.091 2.780 0.178) 3.483 2.605 ( 2.115 1.324 0.502) 2.545 2.712 ( -3.896 1.860 6.530) 7.828 2.881 ( -2.028 1.354 4.740) 5.331 2.998 ( 1.513 -3.345 2.558) 4.474 3.149 ( -2.351 8.644 -0.158) 8.959 3.373 ( -1.982 0.304 0.957) 2.222 3.425 ( -2.983 11.031 0.630) 11.444 3.451 ( 5.227 6.672 1.707) 8.645 3.597 ( -0.586 9.989 -7.865) 12.727 3.735 ( 2.915 9.390 2.616) 10.174 4.008 ( 1.571 5.738 2.289) 6.374 4.084 ( -2.017 11.761 0.462) 11.942 4.157 ( -1.727 4.909 1.620) 5.450 5.242 ( -0.209 1.062 -1.345) 1.726 5.311 ( 0.012 1.615 0.153) 1.622 5.798 ( 0.173 1.550 0.004) 1.560 5.882 ( -0.334 0.525 0.689) 0.928 6.013 ( -0.521 3.184 1.346) 3.496 6.333 ( 0.787 5.620 -0.047) 5.675 6.386 ( 1.219 -0.493 1.139) 1.739 6.426 ( 0.316 1.730 0.243) 1.776 6.488 ( 0.471 -0.472 -1.329) 1.487 6.499 ( -2.256 1.366 3.057) 4.038 6.655 ( 1.388 1.698 0.291) 2.212 6.759 ( 2.847 -1.202 -2.592) 4.033 6.845 ( -2.247 1.200 0.120) 2.550 6.908 ( -1.989 -0.006 -2.182) 2.952 7.016 ( -2.090 3.007 -1.839) 4.098 7.056 ( 0.640 5.985 0.467) 6.037 7.130 ( 1.167 1.014 0.668) 1.684 7.249 ( -0.401 0.046 3.911) 3.932 7.358 ( -3.591 1.911 1.593) 4.368 7.474 ( 4.303 0.921 0.495) 4.428 7.624 ( -2.844 1.878 -0.935) 3.534 7.649 ( 5.233 1.375 -0.248) 5.416 7.822 ( 0.375 4.908 -2.588) 5.561 7.946 ( -3.277 4.731 -0.664) 5.793 8.122 ( 1.068 -6.766 -1.412) 6.994 8.201 ( -3.005 8.720 2.708) 9.612 8.382 ( 1.604 4.926 0.861) 5.251 8.636 ( 0.208 -3.382 -1.502) 3.707 8.649 ( -2.078 -5.916 -0.539) 6.294 8.777 ( 7.431 -0.433 -8.961) 11.649 9.023 ( -1.876 4.614 0.277) 4.988 9.159 ( -1.136 2.671 -0.097) 2.904 9.319 ( -1.888 -4.167 7.504) 8.788 9.735 ( 0.651 -6.894 -2.328) 7.306 9.970 ( 0.126 -6.591 2.219) 6.955 10.037 ( -0.319 -8.282 -0.012) 8.288 ======================= Grid point 86 (43/91) ======================= q-point: ( 0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 5.129 11.606 0.174) 12.690 1.711 ( 0.932 10.623 -0.865) 10.698 1.748 ( 3.329 10.350 0.464) 10.882 1.904 ( 0.366 5.062 -1.491) 5.290 2.065 ( -0.142 3.544 -6.149) 7.099 2.159 ( -4.241 1.456 -3.297) 5.566 2.212 ( -1.576 2.168 -4.850) 5.541 2.261 ( 0.180 0.556 -6.815) 6.840 2.337 ( 3.770 1.445 0.815) 4.119 2.372 ( -0.839 1.849 1.727) 2.665 2.495 ( -0.814 2.691 1.199) 3.057 2.671 ( 0.596 4.220 -3.466) 5.494 2.733 ( 2.298 0.850 10.197) 10.487 2.897 ( 0.755 2.607 2.840) 3.928 3.053 ( 1.497 -0.037 3.456) 3.766 3.108 ( -1.218 0.147 -0.718) 1.421 3.306 ( -5.787 9.527 3.829) 11.786 3.350 ( -4.539 1.510 0.999) 4.887 3.496 ( -1.109 10.262 -8.741) 13.525 3.563 ( 2.438 4.166 0.347) 4.840 3.833 ( 3.266 12.990 6.727) 14.989 4.004 ( -0.505 11.456 -7.325) 13.607 4.104 ( 1.918 7.697 5.488) 9.646 4.137 ( -1.180 4.257 0.865) 4.501 5.221 ( -0.967 1.162 -0.982) 1.803 5.291 ( -1.919 1.620 0.061) 2.512 5.808 ( 0.763 1.008 0.220) 1.284 5.882 ( 0.109 1.689 -0.124) 1.698 6.014 ( -0.233 3.335 1.174) 3.543 6.332 ( -0.995 4.526 1.442) 4.854 6.405 ( -2.475 3.442 0.310) 4.251 6.441 ( 2.502 -0.230 1.121) 2.752 6.481 ( 1.676 0.373 0.396) 1.762 6.534 ( 2.487 -0.865 0.220) 2.643 6.685 ( 1.374 2.281 0.285) 2.678 6.728 ( -3.388 1.653 -3.661) 5.255 6.818 ( -3.042 -1.854 -1.795) 3.989 6.861 ( 0.802 -1.793 -0.190) 1.974 6.994 ( 0.841 3.245 -0.093) 3.354 7.077 ( 0.950 6.675 -0.041) 6.742 7.176 ( 2.873 0.957 1.174) 3.248 7.245 ( -2.319 -0.704 4.315) 4.950 7.293 ( -3.253 2.826 -0.272) 4.318 7.527 ( -2.774 0.625 1.426) 3.181 7.584 ( 0.728 1.899 0.840) 2.201 7.759 ( 6.839 2.046 -2.010) 7.416 7.828 ( 1.863 4.723 -1.809) 5.390 7.887 ( -2.037 5.354 -1.329) 5.881 8.130 ( 0.776 -0.425 -1.717) 1.932 8.173 ( -0.979 3.202 1.917) 3.858 8.424 ( 1.808 6.032 0.769) 6.344 8.604 ( -1.689 -6.234 -2.148) 6.806 8.623 ( -0.786 -4.215 -1.421) 4.517 8.806 ( 0.226 -0.860 -4.439) 4.527 8.970 ( -2.273 4.638 -0.600) 5.199 9.153 ( 0.291 3.080 -0.142) 3.097 9.356 ( 0.344 -4.268 6.846) 8.075 9.728 ( 0.315 -7.211 -2.359) 7.594 9.988 ( 0.237 -7.045 1.949) 7.314 10.026 ( -0.822 -7.732 -0.081) 7.776 ======================= Grid point 87 (44/91) ======================= q-point: ( 0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 3.890 9.503 -4.205) 11.096 1.740 ( 2.725 9.890 1.548) 10.375 1.864 ( 3.904 3.739 0.688) 5.449 1.935 ( 4.861 6.917 2.004) 8.688 1.996 ( -2.419 4.229 -3.169) 5.812 2.048 ( -5.883 6.315 -0.333) 8.637 2.131 ( -0.751 3.539 -8.033) 8.810 2.256 ( 2.592 1.944 -6.748) 7.485 2.299 ( -3.039 2.899 -4.462) 6.128 2.410 ( 2.675 0.238 1.790) 3.227 2.558 ( 2.540 -0.480 4.777) 5.432 2.625 ( -2.602 4.019 -4.331) 6.456 2.817 ( -1.779 -1.733 9.074) 9.408 2.934 ( 2.283 5.181 1.044) 5.758 3.052 ( -2.594 1.530 2.023) 3.628 3.121 ( 1.438 -0.302 0.183) 1.481 3.235 ( -3.322 4.068 2.424) 5.784 3.305 ( -2.874 7.239 7.866) 11.070 3.420 ( 0.594 5.720 -9.520) 11.122 3.598 ( 1.044 6.693 -0.137) 6.776 3.893 ( -2.076 12.795 1.250) 13.022 3.960 ( 1.211 10.032 -1.924) 10.286 4.120 ( -0.430 4.897 -0.228) 4.921 4.173 ( 1.641 9.119 2.898) 9.708 5.207 ( 0.152 1.478 0.047) 1.487 5.256 ( -1.390 1.394 -0.110) 1.972 5.820 ( 0.019 1.311 0.463) 1.390 5.887 ( 0.995 2.277 -1.245) 2.779 6.014 ( -0.472 3.680 0.769) 3.789 6.313 ( -2.398 2.106 2.414) 4.002 6.373 ( -0.771 4.577 0.657) 4.687 6.463 ( 0.118 2.803 0.207) 2.813 6.545 ( 1.353 -1.742 0.337) 2.232 6.570 ( 2.414 0.205 -1.766) 2.998 6.644 ( -2.049 -1.446 -2.570) 3.591 6.680 ( -0.957 2.075 -2.081) 3.091 6.793 ( 2.145 0.775 -0.159) 2.287 6.870 ( -0.366 -1.417 0.312) 1.497 7.026 ( 1.400 3.441 1.441) 3.985 7.106 ( 1.854 4.622 0.647) 5.022 7.181 ( -3.342 -0.873 1.874) 3.930 7.235 ( -2.164 4.156 1.769) 5.008 7.295 ( 5.068 0.918 0.449) 5.170 7.439 ( -6.428 1.148 1.544) 6.710 7.595 ( -1.288 2.800 1.455) 3.408 7.822 ( 1.668 -1.078 -3.647) 4.153 7.854 ( -0.967 6.570 -2.223) 7.003 7.896 ( 5.521 5.097 0.397) 7.524 8.128 ( 0.435 5.918 -1.600) 6.146 8.210 ( 4.074 -1.041 0.474) 4.232 8.421 ( -4.326 5.755 2.458) 7.608 8.562 ( 0.559 -6.544 -4.754) 8.108 8.601 ( -0.348 -4.473 -1.221) 4.650 8.774 ( -1.577 -0.958 0.924) 2.063 8.946 ( 0.303 6.036 -1.590) 6.249 9.160 ( 0.922 1.365 -1.230) 2.056 9.399 ( -0.779 -4.717 6.472) 8.046 9.719 ( 0.503 -7.313 -2.432) 7.723 9.993 ( -0.840 -7.440 0.402) 7.498 10.016 ( -0.058 -6.642 0.844) 6.695 ======================= Grid point 88 (45/91) ======================= q-point: (-0.40 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.731 11.894 -3.214) 12.342 1.766 ( -7.691 6.136 0.455) 9.849 1.828 ( 0.917 5.292 1.279) 5.521 1.955 ( -0.600 7.074 -0.308) 7.106 2.018 ( 4.014 6.363 -0.829) 7.569 2.037 ( 0.635 4.277 -5.351) 6.880 2.167 ( 7.483 0.586 0.773) 7.546 2.229 ( 0.209 4.410 -2.334) 4.994 2.291 ( 4.904 4.400 -6.635) 9.350 2.440 ( -0.401 -0.447 -1.090) 1.245 2.523 ( -3.493 2.456 -8.644) 9.641 2.608 ( -0.327 -2.640 5.013) 5.675 2.794 ( -4.314 -1.397 6.385) 7.831 2.954 ( -3.305 0.886 5.294) 6.303 3.022 ( -1.839 5.490 0.108) 5.791 3.151 ( 2.265 1.457 2.259) 3.516 3.257 ( 4.003 1.194 2.023) 4.641 3.284 ( -3.997 15.204 5.327) 16.598 3.436 ( 5.054 2.231 -5.604) 7.869 3.606 ( 0.173 8.081 -0.383) 8.092 3.818 ( -2.359 11.901 -6.577) 13.801 3.978 ( -1.761 4.901 5.366) 7.478 4.120 ( 0.465 9.429 -0.492) 9.453 4.195 ( -0.685 8.746 1.662) 8.929 5.227 ( 1.160 1.668 0.660) 2.136 5.249 ( 1.116 1.063 -0.472) 1.612 5.814 ( -0.684 2.150 0.109) 2.259 5.895 ( 0.254 1.356 -0.815) 1.602 6.011 ( -0.154 3.824 0.621) 3.878 6.290 ( -1.003 1.563 1.572) 2.433 6.378 ( 0.337 3.785 1.446) 4.066 6.445 ( -1.908 3.504 -0.969) 4.106 6.520 ( -1.345 0.646 -0.299) 1.521 6.577 ( -1.205 -0.427 0.177) 1.290 6.624 ( 0.561 0.602 -3.074) 3.182 6.687 ( 2.428 -2.546 -2.803) 4.498 6.848 ( 3.135 1.508 -0.225) 3.486 6.883 ( 1.407 0.113 2.073) 2.508 7.043 ( -0.861 4.021 0.671) 4.167 7.123 ( -0.971 1.378 -1.004) 1.962 7.135 ( -1.273 2.635 3.548) 4.600 7.245 ( 1.611 4.309 1.954) 4.998 7.316 ( -6.301 1.200 1.106) 6.509 7.406 ( 5.090 -0.454 0.848) 5.180 7.570 ( -1.665 2.187 0.577) 2.809 7.776 ( -3.260 4.093 -4.074) 6.632 7.842 ( 0.158 1.944 -0.007) 1.950 7.985 ( 3.561 4.607 -0.718) 5.867 8.125 ( 0.099 2.763 -1.857) 3.330 8.289 ( -0.228 2.790 2.472) 3.735 8.335 ( -1.884 2.951 0.927) 3.622 8.575 ( 4.169 -2.454 -5.384) 7.238 8.604 ( 1.599 -5.540 -1.123) 5.875 8.747 ( -2.293 -2.416 0.830) 3.433 8.966 ( 2.494 7.570 -0.477) 7.984 9.171 ( 1.141 0.074 -1.688) 2.039 9.396 ( -4.008 -5.070 6.400) 9.095 9.721 ( 1.273 -6.994 -2.212) 7.445 9.973 ( -1.200 -6.411 0.368) 6.533 10.027 ( 0.419 -7.302 0.716) 7.349 ======================= Grid point 89 (46/91) ======================= q-point: (-0.20 0.31 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( -8.460 11.920 1.830) 14.731 1.655 ( 0.753 13.721 -0.911) 13.772 1.865 ( 0.577 3.228 -0.020) 3.279 1.909 ( -2.266 6.747 -4.823) 8.598 2.048 ( 2.773 3.961 -1.586) 5.089 2.094 ( 4.509 3.203 0.036) 5.531 2.202 ( 1.863 2.460 -5.075) 5.939 2.306 ( 3.465 1.119 -0.765) 3.721 2.358 ( 1.232 5.585 -5.224) 7.745 2.399 ( -1.007 -1.958 0.285) 2.220 2.439 ( 3.788 2.665 -7.448) 8.771 2.617 ( -1.811 -0.292 3.454) 3.911 2.754 ( -4.511 -0.307 6.331) 7.780 2.918 ( -4.950 -1.627 6.106) 8.027 2.976 ( -0.734 1.788 0.320) 1.959 3.192 ( -2.008 8.540 1.161) 8.849 3.300 ( 4.856 7.489 4.074) 9.812 3.361 ( 5.064 7.632 -0.681) 9.184 3.466 ( -0.509 2.358 -0.102) 2.415 3.611 ( 1.487 10.884 -2.371) 11.238 3.740 ( -1.314 10.311 -6.208) 12.108 3.978 ( -1.428 2.001 5.902) 6.393 4.116 ( -0.932 12.771 -0.331) 12.809 4.180 ( -1.719 6.625 1.521) 7.011 5.243 ( 0.743 1.296 -0.768) 1.680 5.287 ( 2.173 1.332 0.210) 2.558 5.802 ( -0.507 2.278 -0.114) 2.337 5.888 ( -0.615 0.421 0.304) 0.806 6.014 ( -0.319 3.358 1.069) 3.539 6.302 ( 1.463 2.202 0.681) 2.730 6.387 ( -0.647 2.474 0.163) 2.563 6.413 ( -0.132 3.226 0.470) 3.263 6.499 ( -1.555 0.487 0.892) 1.858 6.540 ( -2.389 -0.596 0.285) 2.478 6.631 ( 1.432 2.052 -1.170) 2.762 6.715 ( 3.162 -2.276 -3.497) 5.235 6.875 ( -0.269 2.204 -0.273) 2.237 6.925 ( 0.959 -0.213 0.441) 1.077 7.021 ( -0.436 4.007 0.410) 4.052 7.107 ( -0.769 1.868 -0.805) 2.175 7.126 ( -3.261 4.702 1.709) 5.972 7.223 ( -0.649 0.000 2.454) 2.539 7.334 ( 3.709 2.933 2.450) 5.325 7.458 ( -0.782 -0.730 -0.051) 1.071 7.573 ( 2.801 0.995 -0.115) 2.974 7.689 ( -3.350 3.588 -2.475) 5.498 7.837 ( -0.411 3.704 -1.004) 3.860 8.002 ( -1.383 5.942 -0.997) 6.182 8.114 ( 0.511 -6.074 -1.645) 6.313 8.240 ( -3.758 8.719 4.172) 10.370 8.360 ( 0.784 2.689 0.313) 2.819 8.625 ( 2.139 -4.009 -2.081) 4.998 8.662 ( 6.557 -3.788 -4.448) 8.782 8.704 ( -0.895 -1.687 -2.383) 3.054 9.014 ( 2.220 7.117 -0.073) 7.456 9.177 ( 0.358 0.173 -1.464) 1.517 9.344 ( -5.449 -4.687 7.267) 10.221 9.732 ( 1.190 -6.781 -2.179) 7.221 9.961 ( -0.570 -6.182 1.418) 6.368 10.037 ( 0.252 -8.005 0.301) 8.015 ======================= Grid point 90 (47/91) ======================= q-point: ( 0.00 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -1.105 9.202 0.670) 9.293 1.866 ( 0.755 4.907 -2.174) 5.420 1.917 ( -0.537 3.832 -0.819) 3.955 2.004 ( -0.383 6.338 -4.169) 7.596 2.138 ( 1.289 -0.929 -0.231) 1.606 2.171 ( 1.503 2.502 -1.369) 3.224 2.241 ( 0.964 1.235 -1.848) 2.423 2.281 ( -1.413 0.874 -0.066) 1.663 2.341 ( 3.394 -0.015 -3.269) 4.713 2.407 ( -2.019 -1.141 -4.138) 4.744 2.541 ( 2.634 0.205 2.453) 3.605 2.656 ( -0.289 2.362 -0.185) 2.387 2.693 ( 1.413 -2.874 5.282) 6.177 2.862 ( -1.512 -3.710 2.521) 4.734 2.907 ( -1.160 -3.418 3.063) 4.734 3.077 ( -2.971 -8.609 -3.989) 9.943 3.404 ( 0.690 1.501 3.453) 3.827 3.487 ( 4.192 -0.966 5.097) 6.669 3.688 ( -6.349 10.685 -5.196) 13.471 3.759 ( -1.547 6.738 -7.027) 9.858 4.018 ( 5.251 15.590 5.211) 17.257 4.174 ( 4.290 9.161 4.342) 11.008 4.317 ( -3.499 10.229 0.049) 10.811 4.321 ( -2.587 9.061 -0.533) 9.438 5.272 ( -0.187 1.839 -1.037) 2.119 5.340 ( 0.053 0.963 0.182) 0.982 5.823 ( -0.425 1.247 0.560) 1.431 5.895 ( 0.202 0.657 0.092) 0.694 6.114 ( -0.534 6.428 2.009) 6.756 6.374 ( 1.517 0.784 -1.015) 1.986 6.445 ( 0.358 2.182 0.155) 2.216 6.467 ( 0.862 2.313 -0.341) 2.492 6.498 ( 0.675 2.796 -0.623) 2.943 6.545 ( -2.573 3.125 2.583) 4.802 6.666 ( 0.624 -0.518 1.014) 1.298 6.727 ( 3.474 -1.207 -1.557) 3.993 6.806 ( -1.813 -5.599 -2.768) 6.503 6.899 ( -2.526 0.697 0.015) 2.620 7.055 ( -1.086 0.183 -0.782) 1.351 7.132 ( -0.240 -1.678 0.983) 1.960 7.176 ( 0.064 4.103 2.676) 4.899 7.221 ( -1.625 0.236 3.846) 4.182 7.393 ( -2.081 1.339 -0.855) 2.618 7.486 ( 4.241 -0.067 0.901) 4.336 7.574 ( 0.231 -1.423 -0.193) 1.454 7.759 ( 1.725 2.600 -1.380) 3.412 7.901 ( 2.998 -0.986 -1.614) 3.545 7.921 ( -3.605 0.297 -1.281) 3.837 8.103 ( 0.086 3.513 -1.573) 3.850 8.342 ( -3.095 5.116 1.908) 6.276 8.404 ( 2.941 -3.408 -4.846) 6.614 8.560 ( -1.361 -3.318 0.608) 3.637 8.615 ( -0.173 2.597 0.729) 2.703 8.773 ( 4.546 -0.394 -4.047) 6.100 9.095 ( -2.235 2.682 -0.206) 3.497 9.243 ( -0.390 4.001 0.638) 4.070 9.247 ( -0.699 -1.791 5.299) 5.637 9.601 ( 0.408 -6.431 -2.059) 6.765 9.863 ( 0.095 -3.956 1.126) 4.114 9.901 ( -0.337 -5.254 0.183) 5.268 ======================= Grid point 91 (48/91) ======================= q-point: ( 0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 2.757 7.966 -1.110) 8.503 1.867 ( 1.297 4.759 -1.553) 5.172 1.905 ( -0.302 4.132 -0.514) 4.175 1.994 ( 1.793 4.664 -3.235) 5.952 2.138 ( -0.788 1.865 -2.067) 2.894 2.164 ( -0.760 1.631 -1.031) 2.074 2.238 ( -0.391 0.185 -1.931) 1.979 2.253 ( -1.112 1.183 -3.467) 3.828 2.372 ( 0.895 1.023 -0.705) 1.531 2.396 ( 2.799 0.338 -0.155) 2.823 2.540 ( -2.498 1.896 1.507) 3.479 2.676 ( 2.120 -2.421 0.210) 3.225 2.749 ( -0.645 0.045 2.682) 2.759 2.851 ( -0.340 -5.819 2.974) 6.544 2.944 ( 3.006 -6.561 0.821) 7.263 3.025 ( -1.624 -5.749 2.601) 6.515 3.379 ( -4.910 2.346 -0.478) 5.463 3.523 ( -1.906 3.253 0.133) 3.773 3.594 ( -2.227 6.809 -1.714) 7.366 3.698 ( 0.390 7.001 -0.844) 7.062 4.132 ( 1.422 14.246 6.099) 15.561 4.237 ( -2.251 10.367 -4.812) 11.649 4.271 ( 2.356 8.674 -1.058) 9.050 4.309 ( 2.133 9.717 4.310) 10.842 5.256 ( -0.696 2.142 -0.763) 2.378 5.321 ( -1.904 1.103 0.108) 2.203 5.831 ( 0.785 1.385 0.458) 1.656 5.907 ( 0.895 0.754 -0.175) 1.183 6.118 ( -0.391 6.561 1.893) 6.840 6.387 ( 0.188 1.108 -0.274) 1.157 6.468 ( 1.451 2.490 0.419) 2.912 6.477 ( 0.164 2.933 -1.111) 3.141 6.507 ( 0.200 1.893 -0.102) 1.907 6.523 ( -0.088 0.582 1.798) 1.892 6.684 ( -0.482 -2.134 0.935) 2.379 6.736 ( -1.993 -2.236 -3.633) 4.708 6.779 ( 2.067 -0.478 -1.341) 2.510 6.842 ( -2.772 0.608 0.971) 2.999 7.038 ( 0.320 0.743 0.087) 0.814 7.149 ( -0.355 -3.484 2.005) 4.035 7.194 ( -1.374 3.526 1.704) 4.150 7.226 ( 2.448 0.881 1.785) 3.155 7.353 ( -1.920 2.749 0.192) 3.359 7.529 ( -2.361 -0.109 1.729) 2.928 7.574 ( 1.567 -1.665 0.325) 2.310 7.774 ( -0.525 -3.234 -2.261) 3.981 7.907 ( 3.486 3.971 0.537) 5.311 7.969 ( 5.557 3.883 -4.559) 8.169 8.105 ( 1.384 1.457 -0.479) 2.065 8.298 ( -2.176 5.399 0.094) 5.821 8.420 ( 2.274 -6.197 -5.766) 8.765 8.527 ( -2.724 -3.004 0.747) 4.124 8.604 ( -1.798 3.949 1.921) 4.745 8.788 ( -0.869 -1.085 -1.491) 2.038 9.065 ( -0.159 4.513 -0.926) 4.610 9.234 ( -1.172 4.740 0.502) 4.909 9.279 ( 0.622 -3.336 4.963) 6.013 9.589 ( -0.210 -6.727 -2.093) 7.048 9.874 ( 0.140 -4.247 0.945) 4.353 9.899 ( 0.043 -4.874 0.253) 4.881 ======================= Grid point 92 (49/91) ======================= q-point: ( 0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( 3.108 6.109 -2.939) 7.458 1.892 ( -0.614 3.147 -1.247) 3.441 1.896 ( 2.054 2.626 -1.957) 3.865 2.038 ( 4.432 2.986 -0.437) 5.362 2.093 ( -1.459 4.381 -1.050) 4.735 2.156 ( -0.407 4.513 -0.183) 4.535 2.195 ( -0.071 3.861 -5.023) 6.335 2.242 ( 0.241 -1.575 -0.193) 1.605 2.360 ( -2.263 2.026 -1.460) 3.370 2.433 ( 2.560 1.474 -0.479) 2.993 2.526 ( -0.649 -2.031 0.474) 2.184 2.656 ( -3.234 -0.774 -4.582) 5.662 2.736 ( -1.603 -4.413 4.201) 6.300 2.911 ( 4.268 -5.877 3.568) 8.093 2.964 ( -2.778 -5.792 2.144) 6.772 3.073 ( 3.150 -5.095 7.972) 9.971 3.263 ( -5.025 4.342 -3.747) 7.625 3.461 ( -2.312 -0.200 -8.051) 8.378 3.574 ( 0.476 12.036 5.703) 13.327 3.746 ( 2.225 5.996 3.801) 7.440 4.127 ( -3.355 9.681 1.484) 10.353 4.155 ( -2.250 9.752 -6.702) 12.045 4.322 ( 2.859 12.061 1.056) 12.440 4.389 ( 2.026 10.363 3.510) 11.128 5.247 ( 0.305 2.238 -0.029) 2.259 5.286 ( -1.515 1.333 -0.040) 2.018 5.849 ( 0.618 1.654 0.336) 1.797 5.920 ( 0.561 0.926 -0.516) 1.200 6.121 ( -0.567 6.456 1.479) 6.647 6.374 ( -1.342 3.664 0.045) 3.902 6.454 ( -1.087 3.288 0.567) 3.509 6.509 ( 0.365 1.867 0.097) 1.905 6.511 ( 1.938 -1.332 -0.574) 2.421 6.553 ( 1.673 -1.520 0.191) 2.268 6.618 ( -3.615 -1.299 -1.756) 4.224 6.723 ( 0.543 0.644 -3.771) 3.863 6.767 ( -0.596 -1.146 0.293) 1.325 6.860 ( 1.993 0.501 2.362) 3.130 7.063 ( 1.174 -0.460 1.565) 2.009 7.138 ( -1.793 -3.081 2.329) 4.259 7.185 ( -0.666 3.699 1.429) 4.021 7.284 ( 1.831 0.999 0.283) 2.105 7.340 ( 1.206 3.098 1.236) 3.547 7.461 ( -5.488 1.549 1.748) 5.965 7.597 ( 0.269 -2.330 -0.815) 2.483 7.741 ( -0.693 -5.273 -1.012) 5.413 7.977 ( 0.194 5.984 -0.505) 6.009 8.023 ( 5.340 6.403 -4.567) 9.506 8.183 ( 6.784 0.639 -0.711) 6.851 8.261 ( -1.483 4.028 -1.559) 4.567 8.411 ( -0.220 -7.130 -3.736) 8.052 8.480 ( -1.331 -3.181 -0.350) 3.466 8.572 ( -2.712 4.011 1.913) 5.206 8.755 ( -2.156 -1.177 1.324) 2.791 9.075 ( 1.900 6.226 -1.431) 6.665 9.211 ( -1.384 3.605 0.439) 3.886 9.317 ( -0.240 -3.488 4.358) 5.587 9.574 ( 0.261 -7.195 -1.968) 7.464 9.876 ( -0.305 -4.163 0.372) 4.190 9.905 ( 0.148 -4.419 0.622) 4.465 ======================= Grid point 93 (50/91) ======================= q-point: (-0.40 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 1.469 5.054 -1.872) 5.586 1.857 ( -1.605 4.112 -2.433) 5.040 1.909 ( 0.826 3.036 -1.067) 3.322 2.096 ( 1.551 5.367 -0.100) 5.588 2.111 ( -0.731 3.174 -0.047) 3.257 2.134 ( 2.566 -0.354 -4.059) 4.815 2.168 ( -0.766 6.555 0.027) 6.599 2.287 ( 4.673 0.280 0.458) 4.703 2.321 ( 0.182 0.522 -3.390) 3.434 2.459 ( -0.663 1.692 -2.337) 2.961 2.509 ( -0.374 -4.549 -1.709) 4.874 2.551 ( -3.143 -1.434 -0.886) 3.566 2.734 ( -0.934 -2.837 1.407) 3.301 2.918 ( -3.833 -2.033 6.288) 7.639 3.018 ( 1.293 -9.095 3.300) 9.761 3.120 ( -3.299 -0.217 2.994) 4.460 3.232 ( 5.646 -0.103 1.518) 5.847 3.377 ( -0.825 -1.350 -8.006) 8.161 3.650 ( 2.867 12.784 6.697) 14.714 3.814 ( 2.591 8.682 1.880) 9.253 4.062 ( -3.329 8.184 -6.296) 10.848 4.072 ( -1.915 9.618 -1.043) 9.862 4.365 ( 0.174 11.987 2.621) 12.272 4.414 ( -1.101 10.549 1.914) 10.777 5.266 ( 0.543 1.900 0.595) 2.064 5.276 ( 1.394 1.438 -0.502) 2.065 5.852 ( -0.554 1.767 0.332) 1.881 5.918 ( -0.476 0.805 -0.435) 1.031 6.117 ( -0.722 6.202 1.299) 6.378 6.350 ( -0.650 4.344 -0.502) 4.421 6.448 ( -0.241 3.193 0.645) 3.266 6.497 ( -1.139 0.292 -0.628) 1.332 6.536 ( -1.255 0.892 0.986) 1.828 6.546 ( -0.082 -1.486 -0.469) 1.560 6.599 ( 2.123 -1.742 -1.563) 3.160 6.701 ( 0.465 3.235 -4.058) 5.210 6.792 ( 2.099 -5.041 1.212) 5.594 6.907 ( 1.279 0.648 1.732) 2.248 7.071 ( -1.255 -1.545 0.797) 2.145 7.137 ( -0.301 -2.216 3.639) 4.271 7.181 ( -0.443 4.765 1.573) 5.037 7.311 ( 0.767 1.707 1.510) 2.404 7.353 ( -5.679 2.249 0.961) 6.183 7.406 ( 3.473 1.257 0.362) 3.711 7.574 ( -1.318 -1.429 -1.773) 2.631 7.745 ( 1.433 -5.297 -1.140) 5.605 7.928 ( -3.037 5.850 -1.737) 6.816 8.085 ( 2.308 5.149 -1.862) 5.942 8.174 ( -5.455 1.782 -2.072) 6.101 8.316 ( 6.289 0.124 -2.486) 6.763 8.386 ( -0.522 -0.693 0.298) 0.917 8.502 ( 3.432 -4.060 -0.801) 5.376 8.552 ( 0.829 2.053 -0.509) 2.272 8.721 ( -2.456 -1.031 1.565) 3.090 9.111 ( 2.508 6.320 -1.369) 6.936 9.195 ( -0.471 2.646 0.879) 2.828 9.313 ( -3.009 -3.245 4.005) 5.969 9.579 ( 1.489 -7.131 -1.717) 7.485 9.869 ( -0.609 -3.759 0.324) 3.822 9.909 ( -0.194 -4.554 0.619) 4.600 ======================= Grid point 94 (51/91) ======================= q-point: (-0.20 0.38 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.788 ( -3.720 7.157 0.328) 8.073 1.858 ( 1.459 6.133 -2.070) 6.635 1.920 ( 0.766 2.271 -0.632) 2.479 2.059 ( -2.141 7.534 -3.858) 8.731 2.118 ( -0.058 -1.636 -0.293) 1.663 2.139 ( 2.538 4.828 -0.966) 5.540 2.214 ( 3.228 1.601 -1.474) 3.893 2.309 ( 1.248 -0.370 -4.624) 4.803 2.340 ( -2.271 -1.666 1.286) 3.096 2.441 ( 2.067 -1.805 -2.432) 3.666 2.466 ( 2.412 2.268 -4.919) 5.929 2.592 ( 1.851 -2.277 6.749) 7.360 2.712 ( -1.959 -0.829 0.517) 2.189 2.899 ( -3.669 -1.195 6.420) 7.491 2.938 ( -4.673 -4.649 -0.716) 6.631 3.143 ( -0.613 -7.319 -0.838) 7.392 3.336 ( 4.360 -1.054 -0.410) 4.505 3.378 ( 3.518 0.372 3.664) 5.093 3.750 ( 3.635 11.329 2.477) 12.153 3.821 ( -2.197 10.010 -3.718) 10.902 3.967 ( -1.419 11.368 -4.767) 12.408 4.081 ( 2.047 8.313 4.188) 9.531 4.360 ( -2.335 10.775 2.463) 11.297 4.382 ( -2.907 10.398 0.302) 10.801 5.273 ( 0.538 1.662 -0.618) 1.853 5.316 ( 2.116 1.207 0.207) 2.445 5.837 ( -1.168 1.460 0.491) 1.933 5.902 ( -0.793 0.751 -0.104) 1.097 6.113 ( -0.657 6.120 1.723) 6.392 6.352 ( 1.196 3.139 -0.923) 3.483 6.448 ( -0.029 3.472 0.151) 3.475 6.468 ( -1.304 -0.961 -0.529) 1.704 6.502 ( -0.924 2.556 -0.219) 2.727 6.562 ( -0.503 2.436 1.933) 3.151 6.637 ( 2.403 -2.071 -0.349) 3.191 6.694 ( 1.334 1.502 -2.908) 3.534 6.827 ( 1.060 -6.313 -1.440) 6.561 6.924 ( -0.597 0.499 1.362) 1.569 7.056 ( -0.188 -1.011 0.577) 1.179 7.148 ( -0.977 -1.766 3.233) 3.811 7.203 ( 1.039 3.114 2.189) 3.946 7.219 ( -6.455 3.728 1.199) 7.550 7.386 ( 3.574 1.708 2.100) 4.484 7.442 ( 0.097 -0.615 -1.668) 1.780 7.556 ( 1.000 -0.996 -0.855) 1.651 7.756 ( 0.580 -0.653 -2.240) 2.404 7.881 ( -0.530 2.118 -0.643) 2.276 8.028 ( -6.335 -0.895 -1.223) 6.513 8.112 ( 0.300 4.711 -2.026) 5.137 8.377 ( 2.541 -0.002 -3.305) 4.169 8.378 ( -1.640 2.591 2.360) 3.870 8.555 ( 2.721 -3.232 -2.030) 4.687 8.597 ( 2.046 0.313 0.739) 2.198 8.709 ( 2.401 0.193 -1.607) 2.896 9.126 ( -0.064 3.362 -1.737) 3.785 9.215 ( 1.133 3.777 2.413) 4.623 9.270 ( -3.754 -2.375 3.892) 5.906 9.597 ( 1.343 -6.674 -1.801) 7.042 9.861 ( -0.502 -3.666 0.700) 3.766 9.906 ( -0.385 -5.014 0.434) 5.047 ======================= Grid point 95 (52/91) ======================= q-point: ( 0.00 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( -0.346 3.434 -0.868) 3.559 1.903 ( -0.269 -0.442 -0.921) 1.056 1.970 ( 0.584 2.606 -1.616) 3.122 2.027 ( 0.318 -2.755 -2.322) 3.617 2.186 ( -0.429 5.387 -1.745) 5.679 2.250 ( -0.455 2.123 -0.759) 2.300 2.280 ( -1.328 2.137 1.168) 2.774 2.300 ( 1.298 0.950 -1.007) 1.898 2.318 ( 2.863 -1.116 0.383) 3.097 2.354 ( 0.426 -3.843 -1.345) 4.093 2.567 ( 2.250 2.398 0.448) 3.319 2.625 ( 4.047 -3.204 1.287) 5.320 2.695 ( -2.628 2.056 -2.309) 4.058 2.766 ( -2.021 -4.609 -0.405) 5.048 2.875 ( -2.520 -0.236 3.190) 4.072 2.922 ( -1.554 -5.491 0.362) 5.718 3.430 ( 1.850 1.284 3.604) 4.250 3.458 ( 2.855 -1.504 4.054) 5.182 3.837 ( -4.530 4.174 -4.763) 7.787 3.855 ( -2.859 2.235 -4.930) 6.122 4.260 ( 5.430 7.464 3.616) 9.913 4.304 ( 5.371 2.781 2.732) 6.636 4.459 ( -3.687 3.931 0.241) 5.395 4.462 ( -4.080 3.745 0.157) 5.541 5.311 ( -0.074 1.927 -0.372) 1.964 5.341 ( 0.003 -0.856 0.085) 0.861 5.857 ( -0.189 2.054 0.180) 2.071 5.893 ( 0.111 -1.130 -0.133) 1.143 6.251 ( 0.099 6.856 1.071) 6.940 6.371 ( 0.875 -4.272 -1.612) 4.649 6.445 ( 0.463 3.563 -0.182) 3.598 6.517 ( 0.010 -1.238 0.618) 1.384 6.570 ( -0.270 3.893 0.392) 3.922 6.603 ( -1.069 2.769 0.676) 3.044 6.635 ( 0.979 -2.397 0.803) 2.711 6.681 ( -0.679 -5.245 -1.204) 5.424 6.769 ( 1.385 5.428 0.111) 5.603 6.884 ( -1.176 -3.658 1.074) 3.989 7.037 ( 0.127 -1.033 -0.004) 1.041 7.056 ( -1.139 -3.048 0.519) 3.295 7.235 ( -1.807 2.519 2.120) 3.756 7.260 ( -2.002 0.622 2.149) 3.002 7.422 ( 0.416 2.034 -0.691) 2.188 7.466 ( 2.556 -1.861 0.655) 3.229 7.590 ( 0.425 3.068 -0.206) 3.104 7.687 ( 0.395 -6.144 -0.741) 6.201 7.924 ( 0.926 2.908 -0.749) 3.143 7.955 ( 0.367 0.173 -1.304) 1.366 8.187 ( -0.038 4.771 -2.769) 5.516 8.294 ( 0.862 -5.770 -3.904) 7.020 8.431 ( -1.210 3.524 -1.196) 3.913 8.496 ( -0.771 -3.155 -1.180) 3.456 8.691 ( 0.756 3.804 1.763) 4.260 8.750 ( 2.128 -2.026 0.143) 2.942 9.143 ( -1.262 2.291 1.026) 2.810 9.190 ( -0.881 -2.514 2.859) 3.908 9.358 ( 0.125 5.870 -0.166) 5.874 9.477 ( 0.219 -6.025 -1.261) 6.160 9.814 ( -0.065 -0.879 0.539) 1.033 9.827 ( -0.263 -2.158 0.290) 2.194 ======================= Grid point 96 (53/91) ======================= q-point: ( 0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 1.194 2.809 -1.908) 3.600 1.895 ( 0.442 -0.470 -1.777) 1.890 1.970 ( 0.474 2.794 -1.468) 3.192 2.023 ( 0.820 -1.949 -2.047) 2.943 2.171 ( -0.173 3.523 -1.181) 3.719 2.221 ( -1.508 -0.229 -0.613) 1.644 2.267 ( -0.956 4.093 1.390) 4.427 2.311 ( 0.611 3.710 -3.691) 5.269 2.351 ( -0.279 -2.984 1.013) 3.164 2.377 ( 3.230 -2.292 -0.886) 4.058 2.588 ( -1.572 3.516 3.507) 5.209 2.646 ( 0.375 -0.129 -3.654) 3.676 2.703 ( 3.222 -3.870 -0.544) 5.065 2.716 ( -3.169 -6.029 0.335) 6.819 2.876 ( 0.402 0.210 3.791) 3.818 2.924 ( -0.202 -4.006 4.108) 5.741 3.436 ( -2.452 3.031 -0.231) 3.906 3.494 ( -0.799 -2.675 -0.535) 2.843 3.748 ( -2.510 5.254 0.108) 5.824 3.786 ( -1.428 1.426 -0.548) 2.091 4.342 ( -1.152 6.100 0.156) 6.209 4.374 ( -2.437 2.775 -3.316) 4.964 4.423 ( 3.971 5.302 1.642) 6.825 4.447 ( 3.153 3.143 4.167) 6.097 5.299 ( -0.816 1.974 -0.286) 2.155 5.327 ( -1.403 -0.608 0.052) 1.530 5.867 ( 1.038 2.127 0.109) 2.369 5.904 ( 1.026 -1.188 -0.163) 1.578 6.259 ( -0.131 7.120 1.220) 7.226 6.381 ( 1.249 -3.753 -2.089) 4.473 6.465 ( 1.711 1.357 -0.021) 2.184 6.511 ( -1.079 -1.369 0.781) 1.910 6.559 ( -1.143 3.264 0.488) 3.492 6.580 ( -1.747 3.082 0.566) 3.587 6.629 ( -1.832 -2.070 0.402) 2.793 6.669 ( 0.000 -3.690 -0.522) 3.727 6.812 ( 2.733 3.254 -0.264) 4.257 6.858 ( -1.806 -0.208 0.147) 1.824 7.029 ( -0.459 -0.779 0.577) 1.073 7.056 ( 0.008 -4.043 1.765) 4.411 7.238 ( 0.445 1.706 0.932) 1.994 7.257 ( 0.935 0.390 0.778) 1.278 7.415 ( -1.153 3.809 0.808) 4.061 7.495 ( -0.297 -3.581 1.715) 3.981 7.581 ( -1.118 2.933 -0.170) 3.143 7.670 ( -1.521 -5.544 -0.665) 5.787 7.986 ( 5.995 3.215 -0.919) 6.865 8.019 ( 7.133 0.326 -2.430) 7.542 8.169 ( -0.039 4.815 -2.704) 5.522 8.284 ( 0.877 -6.350 -4.121) 7.621 8.391 ( -2.146 3.619 -1.769) 4.564 8.459 ( -2.526 -3.375 -0.876) 4.305 8.693 ( -1.889 3.965 2.426) 5.017 8.755 ( -1.802 -2.329 1.212) 3.184 9.146 ( 1.158 3.644 0.404) 3.845 9.213 ( 1.303 -3.151 2.459) 4.204 9.341 ( -1.709 5.643 -0.040) 5.896 9.459 ( -1.053 -6.177 -1.249) 6.389 9.821 ( 0.259 -1.044 0.490) 1.182 9.830 ( 0.361 -1.980 0.364) 2.046 ======================= Grid point 97 (54/91) ======================= q-point: ( 0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.879 ( 1.468 1.748 -2.875) 3.671 1.899 ( 1.516 -0.265 -2.924) 3.304 1.970 ( 0.454 3.146 -1.249) 3.415 2.033 ( 1.252 -2.750 -1.196) 3.250 2.164 ( 0.462 3.375 -0.829) 3.506 2.208 ( 0.379 -0.909 -0.591) 1.148 2.265 ( 0.007 3.704 0.893) 3.810 2.287 ( -0.166 4.301 -2.743) 5.104 2.352 ( -0.131 -1.070 0.486) 1.183 2.424 ( 3.102 -3.351 -1.761) 4.894 2.525 ( -5.038 2.640 -0.929) 5.764 2.605 ( -5.764 -4.499 -2.197) 7.635 2.694 ( 2.241 1.559 1.230) 2.994 2.777 ( 3.514 -6.137 2.613) 7.539 2.908 ( -0.623 0.509 5.170) 5.232 2.967 ( 0.970 -4.753 7.094) 8.594 3.356 ( -3.341 4.304 -5.271) 7.581 3.427 ( -2.829 -2.751 -6.826) 7.885 3.757 ( 1.152 5.979 5.897) 8.476 3.812 ( 1.903 0.384 5.508) 5.840 4.280 ( -2.881 4.791 -3.498) 6.595 4.296 ( -2.376 3.377 -5.498) 6.876 4.510 ( 2.544 5.706 3.048) 6.951 4.534 ( 2.226 3.332 3.547) 5.352 5.287 ( -0.148 1.493 -0.029) 1.501 5.301 ( -1.028 0.080 0.037) 1.032 5.887 ( 0.804 2.031 -0.028) 2.184 5.920 ( 0.607 -0.961 -0.210) 1.156 6.259 ( -0.649 7.130 0.858) 7.210 6.388 ( 1.017 -4.446 -2.442) 5.173 6.491 ( -0.655 1.000 -0.175) 1.208 6.497 ( 0.406 0.092 0.451) 0.613 6.542 ( -0.611 1.675 0.638) 1.894 6.557 ( -1.080 1.448 1.540) 2.374 6.598 ( -0.770 0.616 -0.749) 1.238 6.666 ( -0.245 -4.077 0.724) 4.148 6.818 ( -0.961 3.360 -2.002) 4.028 6.861 ( 1.496 -0.807 0.306) 1.727 7.036 ( -0.034 -0.613 2.248) 2.330 7.069 ( -0.044 -3.334 2.064) 3.922 7.253 ( 0.480 2.740 0.920) 2.930 7.289 ( 1.569 -0.750 0.269) 1.759 7.405 ( -0.205 3.709 0.741) 3.788 7.479 ( -2.601 -2.175 1.639) 3.765 7.559 ( -0.444 1.443 -0.990) 1.805 7.636 ( -1.561 -4.942 0.255) 5.189 8.093 ( 3.200 5.225 -0.712) 6.168 8.142 ( 4.998 5.334 -6.279) 9.636 8.171 ( 5.553 -1.801 -0.351) 5.848 8.263 ( -0.968 -6.029 -5.204) 8.023 8.343 ( -0.858 2.685 -0.575) 2.877 8.405 ( -1.789 -3.488 -0.479) 3.949 8.660 ( -3.150 3.844 2.768) 5.689 8.721 ( -2.773 -2.318 2.439) 4.360 9.181 ( 2.099 4.258 -0.378) 4.762 9.252 ( 0.646 -3.129 2.094) 3.820 9.306 ( -1.639 5.692 0.123) 5.925 9.433 ( -0.579 -6.817 -1.037) 6.919 9.827 ( 0.048 -0.794 0.403) 0.891 9.840 ( 0.216 -2.026 0.535) 2.107 ======================= Grid point 98 (55/91) ======================= q-point: (-0.40 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 1.161 1.715 -2.581) 3.309 1.908 ( 1.320 0.042 -2.676) 2.984 1.970 ( 0.376 3.389 -1.167) 3.604 2.045 ( 0.485 -4.104 -0.740) 4.199 2.182 ( 1.595 3.196 -1.081) 3.732 2.213 ( 0.965 1.046 -0.905) 1.687 2.261 ( -0.343 3.062 -0.050) 3.081 2.297 ( 1.671 0.153 -0.791) 1.855 2.353 ( -0.541 4.143 -1.360) 4.394 2.443 ( -1.224 -0.634 -1.124) 1.778 2.464 ( -6.271 -2.439 -0.401) 6.741 2.480 ( 3.151 -4.446 -1.391) 5.624 2.736 ( 1.096 3.083 0.782) 3.364 2.841 ( 1.153 -7.001 1.503) 7.253 2.923 ( -2.077 2.155 6.126) 6.818 3.017 ( -1.376 -6.467 6.354) 9.170 3.290 ( 0.918 3.470 -3.931) 5.323 3.345 ( -0.518 -2.022 -5.899) 6.257 3.839 ( 2.838 6.157 6.093) 9.115 3.898 ( 2.833 0.331 5.179) 5.913 4.205 ( -2.081 5.151 -4.789) 7.335 4.223 ( -1.189 3.585 -5.672) 6.815 4.544 ( -0.870 5.302 3.017) 6.162 4.563 ( -1.183 3.545 2.613) 4.560 5.294 ( 0.302 0.869 0.125) 0.929 5.298 ( 1.181 0.565 -0.038) 1.310 5.889 ( -0.576 1.905 -0.038) 1.991 5.919 ( -0.564 -0.803 -0.199) 1.002 6.249 ( -0.702 6.913 0.525) 6.969 6.385 ( 0.236 -5.554 -2.226) 5.989 6.468 ( -1.219 3.269 -0.182) 3.494 6.501 ( -0.063 1.165 0.162) 1.178 6.553 ( 1.265 0.623 0.939) 1.694 6.558 ( 0.011 0.840 0.843) 1.190 6.598 ( 0.740 1.544 -0.052) 1.713 6.676 ( 0.767 -5.559 0.598) 5.643 6.789 ( -0.833 4.827 -1.640) 5.166 6.880 ( 0.513 -3.483 0.158) 3.525 7.044 ( -0.760 -0.084 1.881) 2.030 7.077 ( -0.624 -2.959 2.149) 3.710 7.269 ( 0.359 3.501 1.725) 3.919 7.315 ( 0.486 -1.114 1.602) 2.011 7.397 ( -1.727 2.580 -0.335) 3.122 7.439 ( -1.266 -0.075 0.471) 1.353 7.553 ( 0.576 1.184 -1.288) 1.842 7.631 ( 1.070 -5.455 0.133) 5.560 8.047 ( -4.219 5.763 -2.077) 7.438 8.140 ( -5.819 -2.252 -0.990) 6.318 8.204 ( 1.914 3.336 -4.628) 6.018 8.276 ( 3.897 -3.405 -3.730) 6.379 8.384 ( 4.820 1.467 -0.701) 5.087 8.430 ( 4.589 -2.998 -0.893) 5.554 8.627 ( -1.615 3.866 2.444) 4.850 8.689 ( -2.109 -2.317 2.617) 4.083 9.197 ( -0.468 2.843 -0.463) 2.918 9.246 ( -2.371 -1.741 2.396) 3.794 9.304 ( 1.354 5.663 0.024) 5.822 9.437 ( 1.620 -7.002 -0.889) 7.242 9.826 ( -0.434 -0.591 0.409) 0.839 9.842 ( -0.395 -2.113 0.552) 2.219 ======================= Grid point 99 (56/91) ======================= q-point: (-0.20 0.46 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( -0.213 2.677 -1.348) 3.005 1.911 ( 0.276 -0.053 -1.297) 1.328 1.969 ( 0.508 2.956 -1.516) 3.361 2.039 ( -0.190 -4.018 -1.556) 4.313 2.193 ( 0.839 5.326 -1.586) 5.620 2.250 ( 2.601 3.579 -1.567) 4.693 2.259 ( 0.450 2.161 0.854) 2.367 2.305 ( -0.764 0.091 -1.251) 1.469 2.316 ( -2.106 -0.572 0.973) 2.389 2.360 ( -0.903 -5.119 -3.309) 6.162 2.497 ( 4.242 1.616 0.947) 4.637 2.546 ( 3.472 -2.445 0.908) 4.343 2.742 ( -0.668 3.166 -0.382) 3.258 2.826 ( -3.363 -4.949 -0.673) 6.021 2.896 ( -2.738 1.206 4.073) 5.054 2.983 ( -4.080 -7.138 0.684) 8.250 3.345 ( 4.561 1.154 1.107) 4.833 3.367 ( 3.863 -0.932 1.845) 4.381 3.901 ( 0.460 4.506 0.018) 4.529 3.931 ( -1.677 1.589 -1.557) 2.786 4.172 ( 1.817 6.969 -1.023) 7.274 4.211 ( 2.724 2.993 -0.202) 4.051 4.520 ( -3.345 4.625 2.233) 6.129 4.530 ( -3.485 3.726 1.474) 5.311 5.306 ( 0.744 1.470 -0.228) 1.663 5.325 ( 1.428 -0.342 0.104) 1.472 5.871 ( -1.186 1.906 0.099) 2.247 5.902 ( -0.880 -0.910 -0.169) 1.277 6.245 ( -0.123 6.787 0.733) 6.828 6.373 ( 0.096 -5.172 -1.801) 5.477 6.449 ( -0.628 4.232 -0.252) 4.286 6.507 ( 0.487 0.619 0.465) 0.915 6.565 ( 0.377 2.488 0.400) 2.548 6.596 ( 2.384 -1.055 0.566) 2.667 6.609 ( -0.069 1.845 0.852) 2.034 6.691 ( 0.499 -6.242 -0.623) 6.293 6.767 ( -0.608 5.677 -0.794) 5.765 6.888 ( -0.148 -4.837 1.177) 4.980 7.037 ( -0.513 0.154 0.529) 0.753 7.073 ( -1.022 -3.303 1.320) 3.701 7.280 ( -1.083 2.669 2.362) 3.725 7.285 ( -4.549 2.106 2.746) 5.716 7.404 ( 2.704 0.494 0.410) 2.779 7.424 ( 0.201 -1.345 -1.841) 2.289 7.570 ( 1.635 2.933 -0.536) 3.400 7.665 ( 2.235 -5.884 -0.762) 6.340 7.958 ( -3.504 4.147 -1.239) 5.569 8.017 ( -5.423 -1.472 -1.117) 5.729 8.202 ( 0.394 4.517 -2.867) 5.365 8.297 ( 1.521 -4.895 -3.717) 6.332 8.444 ( 1.080 2.670 -0.643) 2.951 8.496 ( 2.363 -2.705 -1.987) 4.105 8.648 ( 2.009 3.130 2.026) 4.235 8.696 ( 1.951 -1.549 1.279) 2.800 9.170 ( -1.856 1.856 0.275) 2.640 9.210 ( -2.943 -2.119 2.901) 4.644 9.339 ( 1.887 6.190 -0.161) 6.474 9.466 ( 1.666 -6.446 -1.053) 6.741 9.818 ( -0.592 -0.612 0.445) 0.961 9.834 ( -0.663 -2.213 0.443) 2.352 ======================= Grid point 130 (57/91) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.812 ( -0.661 0.000 15.855) 15.869 0.849 ( 3.425 0.000 17.641) 17.971 0.989 ( 1.358 0.000 -2.304) 2.675 1.183 ( -3.170 0.000 -14.984) 15.316 1.315 ( -1.034 0.000 -9.969) 10.023 1.506 ( -2.909 0.000 -5.978) 6.648 1.719 ( -1.729 0.000 40.171) 40.208 1.874 ( 0.171 0.000 -0.722) 0.742 1.960 ( 0.193 0.000 3.803) 3.808 2.015 ( -0.045 0.000 -1.729) 1.729 2.076 ( 0.568 0.000 0.137) 0.585 2.135 ( -1.702 0.000 -1.774) 2.459 2.210 ( -0.494 0.000 -0.176) 0.524 2.291 ( 4.856 0.000 -3.785) 6.157 2.403 ( 11.523 0.000 -2.358) 11.762 2.557 ( -6.916 0.000 -11.923) 13.783 2.600 ( 0.898 0.000 -16.208) 16.233 2.782 ( -4.409 0.000 -3.851) 5.854 3.513 ( 1.666 0.000 1.776) 2.435 3.522 ( -2.029 0.000 0.685) 2.141 3.924 ( -0.141 0.000 7.788) 7.789 4.049 ( 2.317 0.000 3.683) 4.351 4.169 ( 2.965 0.000 3.331) 4.459 4.397 ( -4.034 0.000 -6.161) 7.364 5.318 ( 0.632 0.000 2.264) 2.350 5.414 ( -1.654 0.000 -1.761) 2.416 5.462 ( 0.183 0.000 -0.267) 0.324 5.761 ( 0.979 0.000 1.746) 2.001 5.930 ( -2.111 0.000 -2.412) 3.205 6.002 ( -0.730 0.000 0.555) 0.917 6.082 ( 2.074 0.000 0.051) 2.075 6.225 ( 0.603 0.000 1.057) 1.217 6.328 ( -7.160 0.000 2.411) 7.555 6.450 ( 3.216 0.000 2.524) 4.089 6.523 ( 5.031 0.000 -3.040) 5.878 6.561 ( -3.409 0.000 -3.157) 4.646 6.675 ( 0.397 0.000 -0.096) 0.409 6.787 ( 4.400 0.000 1.432) 4.627 6.860 ( 1.091 0.000 -2.402) 2.638 6.870 ( 0.720 0.000 1.654) 1.804 6.943 ( -0.713 0.000 -0.826) 1.091 7.064 ( -2.367 0.000 2.585) 3.505 7.229 ( 2.574 0.000 1.443) 2.951 7.275 ( 0.264 0.000 -0.365) 0.450 7.390 ( -0.134 0.000 0.152) 0.202 7.466 ( 0.002 0.000 0.014) 0.014 7.505 ( -2.080 0.000 -4.694) 5.134 7.529 ( -1.076 0.000 0.198) 1.094 7.970 ( -3.706 0.000 1.336) 3.940 8.040 ( 3.333 0.000 3.021) 4.498 8.445 ( 1.091 0.000 -0.960) 1.453 8.558 ( 0.203 0.000 -1.503) 1.516 8.581 ( 0.460 0.000 0.829) 0.948 8.922 ( 5.156 0.000 0.719) 5.206 8.989 ( -5.127 0.000 -6.322) 8.140 9.212 ( 1.166 0.000 1.745) 2.099 9.799 ( -3.059 0.000 4.775) 5.671 10.142 ( 1.459 0.000 -1.017) 1.779 10.658 ( -1.195 0.000 1.216) 1.705 10.777 ( 0.681 0.000 -2.313) 2.411 ======================= Grid point 131 (58/91) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( -1.050 0.000 7.514) 7.587 1.048 ( 8.164 0.000 -0.181) 8.166 1.052 ( 7.194 0.000 -3.348) 7.935 1.090 ( 2.298 0.000 1.360) 2.670 1.226 ( -3.744 0.000 -2.573) 4.543 1.414 ( -4.652 0.000 3.769) 5.987 1.837 ( -2.555 0.000 0.298) 2.572 1.990 ( -0.244 0.000 -0.345) 0.423 1.993 ( -5.600 0.000 0.108) 5.601 2.037 ( 3.441 0.000 -0.161) 3.444 2.070 ( -0.720 0.000 -0.819) 1.090 2.106 ( 5.838 0.000 13.048) 14.295 2.205 ( -0.277 0.000 0.879) 0.922 2.227 ( -3.459 0.000 11.483) 11.993 2.342 ( -5.832 0.000 -13.340) 14.559 2.421 ( 9.963 0.000 -23.798) 25.799 2.744 ( 11.655 0.000 4.169) 12.378 2.856 ( -0.417 0.000 2.951) 2.980 3.159 ( -15.186 0.000 -0.383) 15.191 3.766 ( 8.213 0.000 0.591) 8.234 3.948 ( -0.981 0.000 4.903) 5.000 4.055 ( -1.869 0.000 -5.982) 6.267 4.143 ( -5.344 0.000 -4.761) 7.157 4.391 ( 3.957 0.000 6.785) 7.854 5.315 ( -2.330 0.000 -1.720) 2.896 5.394 ( 0.974 0.000 3.828) 3.951 5.455 ( -0.607 0.000 -0.451) 0.756 5.777 ( 0.120 0.000 -1.664) 1.669 5.923 ( 1.328 0.000 3.682) 3.914 5.987 ( -2.489 0.000 0.632) 2.568 6.066 ( -2.328 0.000 -3.151) 3.917 6.243 ( 1.266 0.000 -0.590) 1.396 6.244 ( -3.554 0.000 8.115) 8.859 6.411 ( -4.930 0.000 -4.075) 6.396 6.577 ( 2.754 0.000 3.746) 4.650 6.607 ( 5.317 0.000 -3.880) 6.582 6.691 ( 1.657 0.000 -0.629) 1.773 6.766 ( -6.572 0.000 -1.475) 6.736 6.781 ( -1.704 0.000 -6.140) 6.372 6.869 ( -1.211 0.000 -0.793) 1.448 6.942 ( 0.499 0.000 1.120) 1.226 7.136 ( 4.585 0.000 2.670) 5.306 7.203 ( -4.062 0.000 -4.503) 6.065 7.274 ( 0.017 0.000 -0.646) 0.646 7.391 ( 0.034 0.000 0.308) 0.310 7.467 ( -3.628 0.000 2.927) 4.662 7.468 ( 0.186 0.000 0.002) 0.186 7.567 ( 6.749 0.000 1.314) 6.876 7.857 ( -5.448 0.000 1.165) 5.571 8.188 ( 7.395 0.000 1.471) 7.540 8.434 ( -0.656 0.000 -0.918) 1.129 8.510 ( -4.456 0.000 1.711) 4.773 8.651 ( 4.449 0.000 -1.993) 4.875 8.866 ( -2.524 0.000 -5.687) 6.222 9.044 ( 5.164 0.000 2.220) 5.621 9.253 ( 2.901 0.000 -1.889) 3.461 9.790 ( -1.438 0.000 5.783) 5.959 10.149 ( 0.550 0.000 -2.782) 2.836 10.605 ( -5.134 0.000 2.298) 5.625 10.736 ( -3.049 0.000 -0.860) 3.168 ======================= Grid point 132 (59/91) ======================= q-point: ( 0.40 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -4.613 0.000 7.375) 8.699 1.069 ( -4.348 0.000 2.642) 5.087 1.094 ( 1.055 0.000 -12.563) 12.607 1.231 ( 3.989 0.000 6.353) 7.501 1.269 ( 11.352 0.000 -5.532) 12.628 1.473 ( 7.675 0.000 11.463) 13.795 1.815 ( -0.179 0.000 1.587) 1.597 1.822 ( -7.090 0.000 -2.775) 7.613 1.953 ( -2.034 0.000 -2.965) 3.595 1.961 ( -7.263 0.000 -6.864) 9.993 2.051 ( -0.338 0.000 -0.255) 0.423 2.103 ( 2.449 0.000 0.245) 2.461 2.188 ( -1.584 0.000 -10.304) 10.425 2.203 ( -0.528 0.000 0.919) 1.060 2.470 ( -12.638 0.000 -1.426) 12.718 2.538 ( -2.510 0.000 -8.717) 9.071 2.683 ( 15.859 0.000 26.054) 30.501 2.957 ( 7.518 0.000 0.989) 7.583 3.153 ( 6.338 0.000 -0.001) 6.338 3.783 ( -13.638 0.000 -18.390) 22.895 3.840 ( -0.932 0.000 2.406) 2.581 3.969 ( 0.864 0.000 2.005) 2.183 4.128 ( 0.673 0.000 2.001) 2.111 4.515 ( 3.797 0.000 5.511) 6.693 5.249 ( -2.359 0.000 -1.487) 2.788 5.442 ( -0.308 0.000 -0.499) 0.586 5.505 ( 6.739 0.000 6.870) 9.623 5.754 ( -0.910 0.000 -1.694) 1.923 5.852 ( -8.712 0.000 -5.238) 10.166 6.009 ( 3.649 0.000 6.698) 7.627 6.053 ( 1.383 0.000 -0.490) 1.467 6.257 ( 0.441 0.000 -5.607) 5.624 6.274 ( -0.078 0.000 8.382) 8.382 6.289 ( -4.250 0.000 -1.124) 4.396 6.621 ( -1.260 0.000 -4.934) 5.092 6.638 ( 1.154 0.000 3.117) 3.324 6.656 ( -4.065 0.000 -0.286) 4.075 6.727 ( 2.405 0.000 -0.480) 2.452 6.746 ( 2.989 0.000 -5.710) 6.445 6.828 ( -2.207 0.000 -1.172) 2.499 6.962 ( 0.559 0.000 1.169) 1.295 7.078 ( -5.170 0.000 -4.090) 6.592 7.180 ( -0.004 0.000 -0.853) 0.853 7.269 ( -0.005 0.000 -0.730) 0.730 7.394 ( 0.043 0.000 0.330) 0.333 7.468 ( 1.340 0.000 4.456) 4.653 7.471 ( 0.110 0.000 0.001) 0.110 7.705 ( 5.056 0.000 2.357) 5.578 7.793 ( -2.111 0.000 0.029) 2.112 8.311 ( 3.736 0.000 0.551) 3.777 8.408 ( -1.762 0.000 0.262) 1.781 8.442 ( -3.108 0.000 3.533) 4.705 8.689 ( 0.519 0.000 -0.388) 0.648 8.810 ( 0.427 0.000 -6.477) 6.491 9.135 ( 2.072 0.000 4.520) 4.972 9.279 ( 1.671 0.000 -4.444) 4.748 9.822 ( 1.566 0.000 3.367) 3.713 10.128 ( -0.511 0.000 -3.623) 3.659 10.533 ( -3.747 0.000 3.669) 5.245 10.674 ( -2.504 0.000 -0.640) 2.584 ======================= Grid point 133 (60/91) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.810 ( -8.525 0.000 12.969) 15.520 0.922 ( -14.842 0.000 12.813) 19.608 1.036 ( -0.451 0.000 -5.713) 5.730 1.339 ( 5.847 0.000 -4.440) 7.342 1.399 ( 8.008 0.000 -16.138) 18.015 1.688 ( -1.346 0.000 -4.439) 4.638 1.788 ( 9.883 0.000 8.286) 12.897 1.837 ( 0.900 0.000 0.088) 0.905 1.839 ( 2.026 0.000 -5.266) 5.642 1.908 ( -0.730 0.000 0.539) 0.907 2.003 ( -23.047 0.000 15.082) 27.543 2.047 ( -0.119 0.000 0.217) 0.248 2.112 ( -1.355 0.000 -0.682) 1.517 2.202 ( -0.422 0.000 3.433) 3.459 2.208 ( 0.593 0.000 0.461) 0.751 2.694 ( 14.461 0.000 -7.674) 16.371 2.967 ( -0.186 0.000 -5.025) 5.028 3.021 ( 3.981 0.000 1.779) 4.361 3.262 ( -4.720 0.000 -10.485) 11.498 3.518 ( 6.252 0.000 1.505) 6.431 3.774 ( -8.082 0.000 7.765) 11.208 3.998 ( 0.037 0.000 0.309) 0.312 4.148 ( 0.758 0.000 0.072) 0.761 4.566 ( -0.693 0.000 0.271) 0.744 5.230 ( 0.798 0.000 0.476) 0.929 5.441 ( 0.488 0.000 -0.385) 0.622 5.640 ( -6.600 0.000 -6.303) 9.126 5.726 ( 9.085 0.000 6.593) 11.225 5.735 ( -0.537 0.000 0.262) 0.598 6.065 ( -0.029 0.000 -1.692) 1.693 6.113 ( 0.405 0.000 4.999) 5.015 6.147 ( -2.295 0.000 -4.328) 4.899 6.297 ( 2.282 0.000 -0.929) 2.464 6.340 ( 2.499 0.000 5.076) 5.658 6.561 ( -2.377 0.000 -1.108) 2.623 6.602 ( -2.248 0.000 1.682) 2.808 6.662 ( 0.196 0.000 1.014) 1.033 6.739 ( -1.755 0.000 -1.991) 2.654 6.767 ( 2.543 0.000 -5.763) 6.299 6.802 ( 0.558 0.000 1.456) 1.559 6.971 ( -0.032 0.000 0.225) 0.227 7.010 ( -0.723 0.000 2.752) 2.846 7.188 ( 2.175 0.000 -1.385) 2.578 7.267 ( 0.215 0.000 -0.517) 0.560 7.395 ( -0.103 0.000 0.204) 0.228 7.471 ( -0.124 0.000 0.011) 0.125 7.513 ( 0.788 0.000 0.287) 0.838 7.757 ( -2.813 0.000 -1.883) 3.385 7.776 ( 3.057 0.000 0.890) 3.184 8.258 ( -7.995 0.000 5.322) 9.604 8.409 ( -0.345 0.000 -0.232) 0.416 8.483 ( 4.971 0.000 0.524) 4.999 8.671 ( -2.683 0.000 1.252) 2.961 8.795 ( 2.052 0.000 -5.074) 5.474 9.177 ( -0.759 0.000 5.133) 5.188 9.251 ( -1.137 0.000 -6.283) 6.385 9.864 ( 1.191 0.000 -1.344) 1.796 10.099 ( -0.230 0.000 -1.199) 1.221 10.544 ( 2.715 0.000 4.027) 4.856 10.652 ( 0.286 0.000 0.895) 0.940 ======================= Grid point 134 (61/91) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( -6.258 0.000 17.951) 19.011 0.770 ( -8.999 0.000 17.902) 20.036 1.002 ( -0.212 0.000 -3.497) 3.503 1.339 ( -2.462 0.000 -15.090) 15.289 1.371 ( 2.456 0.000 -10.005) 10.302 1.561 ( -3.413 0.000 -2.890) 4.472 1.728 ( -15.601 0.000 20.711) 25.930 1.847 ( 1.821 0.000 -1.517) 2.370 1.937 ( 0.527 0.000 4.565) 4.596 2.012 ( 9.823 0.000 6.991) 12.056 2.045 ( -1.008 0.000 -0.125) 1.016 2.069 ( -1.235 0.000 -0.735) 1.437 2.105 ( 14.953 0.000 5.062) 15.786 2.217 ( 0.099 0.000 -0.290) 0.306 2.242 ( 2.826 0.000 -0.757) 2.925 2.757 ( -5.540 0.000 -8.137) 9.843 2.810 ( -9.922 0.000 -21.238) 23.441 2.975 ( -2.035 0.000 -7.583) 7.852 3.200 ( 12.722 0.000 -4.857) 13.617 3.693 ( -5.037 0.000 8.303) 9.712 3.817 ( 9.361 0.000 13.330) 16.289 3.956 ( -3.547 0.000 4.033) 5.371 4.153 ( 0.287 0.000 -2.062) 2.082 4.506 ( -3.597 0.000 -4.356) 5.649 5.273 ( 2.340 0.000 2.111) 3.151 5.453 ( 0.872 0.000 -0.235) 0.903 5.482 ( -4.348 0.000 -5.301) 6.856 5.738 ( 0.130 0.000 1.881) 1.885 5.962 ( 8.816 0.000 6.033) 10.683 6.013 ( -4.075 0.000 -4.898) 6.371 6.031 ( -1.426 0.000 -2.222) 2.640 6.198 ( 1.002 0.000 3.805) 3.935 6.358 ( 4.273 0.000 1.123) 4.418 6.393 ( 2.179 0.000 -5.432) 5.853 6.510 ( -4.485 0.000 5.330) 6.966 6.643 ( 5.004 0.000 6.351) 8.085 6.650 ( -2.242 0.000 -3.377) 4.054 6.679 ( -1.747 0.000 0.493) 1.815 6.796 ( 4.692 0.000 -3.899) 6.101 6.837 ( 1.316 0.000 2.150) 2.521 6.963 ( -0.628 0.000 -0.736) 0.967 7.069 ( 1.982 0.000 6.760) 7.045 7.207 ( -0.143 0.000 -2.451) 2.455 7.270 ( 0.379 0.000 -0.291) 0.478 7.393 ( -0.212 0.000 0.094) 0.232 7.467 ( -0.189 0.000 0.019) 0.190 7.518 ( 1.304 0.000 -1.798) 2.221 7.637 ( -6.587 0.000 -5.202) 8.393 7.865 ( 6.178 0.000 0.285) 6.184 8.138 ( -8.966 0.000 6.320) 10.970 8.412 ( 0.971 0.000 0.626) 1.155 8.554 ( 2.044 0.000 -1.124) 2.333 8.615 ( -3.699 0.000 1.489) 3.988 8.830 ( 4.379 0.000 -2.249) 4.923 9.141 ( -4.973 0.000 -6.885) 8.493 9.194 ( -1.062 0.000 3.449) 3.609 9.839 ( -2.596 0.000 0.146) 2.600 10.113 ( 1.575 0.000 0.264) 1.597 10.636 ( 3.374 0.000 -0.378) 3.395 10.712 ( 5.106 0.000 2.237) 5.575 ======================= Grid point 135 (62/91) ======================= q-point: ( 0.00 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 5.097 5.620 16.858) 18.486 0.974 ( -1.277 12.300 16.360) 20.508 1.193 ( -3.548 5.151 -13.416) 14.802 1.206 ( 0.051 15.298 -6.700) 16.701 1.418 ( -2.269 9.157 -5.262) 10.802 1.543 ( -1.224 4.439 -8.225) 9.426 1.850 ( -2.098 11.364 23.207) 25.925 1.948 ( 3.706 6.524 2.744) 7.989 2.055 ( -1.410 8.181 3.900) 9.173 2.094 ( -0.496 4.985 3.226) 5.958 2.175 ( 0.738 10.401 0.658) 10.447 2.221 ( -0.284 9.713 -3.033) 10.180 2.258 ( -0.128 3.299 -0.669) 3.368 2.324 ( 2.866 4.412 1.262) 5.410 2.444 ( 11.480 4.638 -0.547) 12.393 2.573 ( -9.486 1.499 -5.691) 11.163 2.654 ( 2.082 6.068 -22.657) 23.548 2.805 ( -3.529 2.810 -3.611) 5.778 3.496 ( 1.175 -2.198 0.706) 2.590 3.516 ( -1.505 0.438 1.757) 2.354 3.865 ( -0.458 -5.456 6.343) 8.379 4.004 ( 2.126 -4.200 2.990) 5.577 4.142 ( 2.985 -2.474 3.620) 5.305 4.369 ( -3.758 -2.638 -5.027) 6.808 5.296 ( 0.684 -1.569 2.006) 2.637 5.364 ( -1.579 -4.147 -1.587) 4.712 5.641 ( 0.221 14.375 -0.214) 14.379 5.772 ( 1.702 0.082 3.434) 3.834 5.886 ( -1.567 -1.587 -3.874) 4.470 6.016 ( 0.568 3.156 -1.385) 3.493 6.230 ( 0.036 10.370 0.495) 10.382 6.306 ( -5.012 0.719 1.940) 5.422 6.315 ( -0.272 4.138 1.263) 4.335 6.497 ( 3.140 3.404 0.276) 4.639 6.515 ( 4.639 0.027 -1.324) 4.824 6.571 ( -3.998 1.006 -3.334) 5.302 6.713 ( 0.327 3.498 1.053) 3.668 6.789 ( 1.313 0.021 -0.740) 1.507 6.834 ( 1.449 0.722 -1.234) 2.035 6.905 ( 0.591 3.150 0.054) 3.205 6.997 ( 0.846 -4.199 2.211) 4.821 7.041 ( -0.823 3.460 -0.412) 3.580 7.245 ( 1.459 1.988 1.261) 2.770 7.291 ( 0.143 2.237 -0.502) 2.297 7.423 ( -0.320 3.180 1.606) 3.577 7.492 ( 0.072 2.830 0.139) 2.835 7.536 ( -2.440 2.476 -4.792) 5.920 7.579 ( -1.093 5.704 0.016) 5.808 7.951 ( -2.285 -2.058 0.992) 3.231 8.063 ( 1.353 2.534 3.110) 4.234 8.485 ( 1.243 2.893 -2.284) 3.890 8.550 ( 0.213 -2.887 0.350) 2.916 8.603 ( 1.158 3.753 -2.289) 4.546 8.902 ( 4.156 -1.828 1.294) 4.721 8.988 ( -4.272 0.002 -6.302) 7.614 9.172 ( 1.054 -3.842 1.850) 4.392 9.764 ( -2.852 -3.297 4.941) 6.589 10.096 ( 1.383 -4.392 -1.229) 4.765 10.583 ( -0.862 -7.133 0.565) 7.207 10.660 ( 0.382 -10.032 0.998) 10.089 ======================= Grid point 136 (63/91) ======================= q-point: ( 0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.812 6.958 -5.936) 9.182 1.088 ( 3.275 6.714 7.782) 10.787 1.139 ( 8.101 9.746 10.061) 16.181 1.196 ( 4.735 13.003 -8.772) 16.384 1.362 ( -3.078 12.378 2.583) 13.014 1.467 ( -2.759 5.693 -1.105) 6.422 1.894 ( -1.033 4.719 1.128) 4.961 1.991 ( -3.674 1.335 -4.456) 5.928 2.070 ( -2.417 5.268 -2.193) 6.197 2.121 ( -1.440 8.282 5.600) 10.101 2.164 ( 0.893 10.873 4.268) 11.715 2.216 ( -2.196 6.232 -0.079) 6.608 2.281 ( -3.579 5.900 0.405) 6.912 2.325 ( 8.016 11.257 11.848) 18.203 2.371 ( -5.103 4.656 -4.211) 8.090 2.489 ( 7.512 7.539 -23.732) 26.009 2.743 ( 11.197 0.063 3.713) 11.797 2.877 ( 0.097 2.554 2.339) 3.465 3.182 ( -13.960 2.498 -0.410) 14.188 3.727 ( 6.897 -3.765 0.590) 7.880 3.890 ( -0.012 -5.270 4.244) 6.766 4.012 ( -1.554 -4.200 -5.059) 6.756 4.121 ( -4.913 -2.027 -4.500) 6.964 4.365 ( 3.472 -2.436 6.300) 7.594 5.288 ( -2.500 -1.937 -1.507) 3.503 5.349 ( 0.805 -3.755 3.411) 5.136 5.629 ( -0.886 13.850 -0.558) 13.890 5.799 ( -0.252 0.799 -3.347) 3.451 5.859 ( -0.095 -2.365 2.582) 3.503 6.025 ( 1.591 3.674 -1.211) 4.183 6.178 ( -6.284 8.099 0.535) 10.265 6.237 ( -1.965 2.245 5.661) 6.399 6.355 ( 2.074 6.509 0.783) 6.876 6.438 ( -5.242 2.004 -3.491) 6.609 6.574 ( 2.613 -0.745 -0.803) 2.833 6.613 ( 5.314 1.046 -0.277) 5.423 6.719 ( -1.454 1.110 -0.910) 2.043 6.747 ( -1.210 1.174 0.132) 1.692 6.805 ( -1.968 3.087 -3.870) 5.327 6.889 ( -1.886 1.997 -0.439) 2.782 7.024 ( 0.010 5.260 -0.814) 5.322 7.079 ( 4.479 -4.712 0.694) 6.538 7.222 ( -2.944 2.399 -2.046) 4.314 7.271 ( -2.383 0.612 -1.295) 2.780 7.409 ( -1.521 2.370 2.034) 3.474 7.492 ( -0.084 2.683 0.040) 2.684 7.547 ( 0.750 5.365 0.500) 5.441 7.607 ( 5.752 4.864 3.256) 8.206 7.850 ( -5.387 -0.715 1.269) 5.580 8.192 ( 7.183 0.580 1.663) 7.396 8.453 ( -1.652 0.896 -2.324) 2.989 8.529 ( -3.705 1.570 2.429) 4.701 8.644 ( 3.652 -0.189 -3.385) 4.983 8.857 ( -2.712 -0.737 -5.204) 5.914 9.024 ( 4.373 -1.955 2.415) 5.365 9.211 ( 2.820 -3.881 -1.670) 5.079 9.761 ( -1.025 -2.722 5.618) 6.326 10.101 ( 0.490 -4.551 -2.694) 5.311 10.538 ( -4.209 -6.268 1.641) 7.726 10.642 ( -2.236 -8.669 0.093) 8.953 ======================= Grid point 137 (64/91) ======================= q-point: ( 0.40 0.08 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( -4.176 5.993 1.219) 7.406 1.155 ( 0.421 15.225 -0.600) 15.242 1.253 ( 3.172 11.877 -6.040) 13.697 1.339 ( 0.453 9.894 7.588) 12.477 1.352 ( 10.096 9.175 -5.216) 14.606 1.508 ( 6.346 4.213 9.837) 12.441 1.823 ( -6.424 0.905 -1.929) 6.768 1.906 ( -0.313 7.203 -1.154) 7.301 1.949 ( -5.448 0.513 -6.947) 8.843 2.090 ( -2.644 11.516 0.609) 11.831 2.161 ( -1.051 8.756 0.068) 8.819 2.206 ( 1.204 9.322 -0.861) 9.439 2.229 ( -1.880 5.998 -5.700) 8.485 2.271 ( -0.832 5.541 0.152) 5.605 2.516 ( -4.176 5.381 -7.744) 10.313 2.589 ( -5.914 5.163 -1.629) 8.018 2.748 ( 10.794 6.625 21.120) 24.627 2.954 ( 7.754 -0.080 0.956) 7.813 3.166 ( 5.919 1.594 -0.018) 6.129 3.778 ( -12.446 -0.645 -16.156) 20.404 3.784 ( -0.856 -5.249 1.693) 5.581 3.925 ( 1.277 -4.104 1.930) 4.711 4.093 ( 0.347 -3.231 1.670) 3.653 4.478 ( 3.377 -3.563 5.149) 7.114 5.229 ( -2.012 -1.365 -1.109) 2.672 5.424 ( 3.553 -6.201 5.196) 8.836 5.612 ( -0.210 12.366 -1.150) 12.421 5.741 ( -2.950 1.466 -4.158) 5.304 5.866 ( -0.648 -0.983 0.839) 1.446 6.061 ( 1.317 4.688 -1.134) 5.000 6.108 ( -0.185 7.594 4.011) 8.591 6.265 ( 0.832 1.968 5.772) 6.155 6.309 ( -4.340 3.038 -6.115) 8.091 6.383 ( -0.455 4.302 0.488) 4.353 6.566 ( -2.627 -3.065 0.087) 4.038 6.685 ( 2.186 3.974 0.006) 4.535 6.714 ( 2.510 0.166 -1.509) 2.934 6.749 ( -0.956 5.591 -2.065) 6.036 6.771 ( 1.942 3.782 -0.499) 4.280 6.840 ( -2.533 1.005 -0.872) 2.861 7.007 ( -1.799 3.316 -0.547) 3.812 7.118 ( -0.781 2.985 -3.114) 4.384 7.174 ( 0.619 -0.420 -0.175) 0.768 7.208 ( -2.285 -2.161 -1.156) 3.351 7.408 ( -0.271 2.009 1.918) 2.791 7.491 ( -0.064 2.668 0.008) 2.668 7.572 ( 1.487 6.525 1.626) 6.887 7.742 ( 3.907 3.523 2.796) 5.957 7.796 ( -0.733 0.552 1.387) 1.663 8.310 ( 2.956 -0.099 0.740) 3.049 8.406 ( -0.926 -0.484 -1.840) 2.116 8.475 ( -3.318 3.108 3.873) 5.972 8.665 ( 0.043 -2.047 -0.658) 2.151 8.800 ( 0.303 -0.940 -6.284) 6.361 9.104 ( 1.639 -3.129 4.614) 5.811 9.239 ( 1.888 -3.605 -4.390) 5.986 9.797 ( 1.405 -2.435 3.494) 4.485 10.081 ( -0.510 -4.461 -3.179) 5.502 10.473 ( -3.443 -5.574 2.765) 7.111 10.598 ( -1.822 -7.168 -0.265) 7.401 ======================= Grid point 138 (65/91) ======================= q-point: (-0.40 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.909 ( -11.315 6.453 9.580) 16.170 1.086 ( -9.060 16.329 6.960) 19.929 1.239 ( 0.357 16.943 -3.367) 17.278 1.395 ( 4.778 5.094 -8.601) 11.079 1.496 ( 7.226 10.362 -9.563) 15.844 1.687 ( -0.348 0.404 -2.925) 2.973 1.793 ( 8.142 1.625 8.251) 11.705 1.840 ( 1.440 1.027 -6.251) 6.497 1.911 ( 0.678 6.031 -1.257) 6.198 2.055 ( -15.078 7.304 13.967) 21.813 2.077 ( -0.943 14.363 3.005) 14.705 2.184 ( -0.257 7.002 -2.668) 7.497 2.214 ( 0.892 8.657 -1.032) 8.764 2.260 ( -6.848 11.108 5.025) 13.983 2.278 ( 0.662 5.839 0.027) 5.876 2.716 ( 11.453 2.311 -4.858) 12.654 2.976 ( 1.240 1.326 -5.968) 6.238 3.022 ( 3.441 0.146 1.154) 3.632 3.273 ( -3.058 1.310 -8.547) 9.172 3.544 ( 5.114 2.800 0.971) 5.911 3.723 ( -7.520 -4.923 7.174) 11.500 3.955 ( 0.121 -4.149 0.048) 4.151 4.107 ( 0.405 -3.804 0.277) 3.835 4.524 ( -0.665 -4.042 0.413) 4.117 5.215 ( 0.765 -1.008 0.413) 1.331 5.488 ( -1.135 -9.822 0.493) 9.900 5.603 ( 0.429 10.045 -1.391) 10.150 5.685 ( 0.033 5.388 0.944) 5.471 5.881 ( 2.848 0.957 -0.950) 3.151 6.057 ( -0.496 5.778 -0.489) 5.820 6.191 ( 3.275 5.137 3.310) 6.933 6.204 ( -1.635 5.016 -3.818) 6.512 6.337 ( 2.987 0.712 3.200) 4.435 6.373 ( 1.267 2.976 -2.141) 3.879 6.526 ( -2.666 -2.531 3.290) 4.933 6.684 ( -1.676 9.547 -0.451) 9.703 6.719 ( 0.163 -0.999 -3.312) 3.463 6.754 ( -0.386 5.636 1.137) 5.763 6.778 ( -0.386 0.976 -3.271) 3.436 6.820 ( 1.513 2.323 0.946) 2.930 6.979 ( -0.378 1.254 2.011) 2.400 7.078 ( -2.214 4.775 0.929) 5.345 7.191 ( 1.343 -0.192 -1.501) 2.023 7.206 ( 2.526 -2.282 -0.908) 3.523 7.415 ( -0.174 2.096 1.101) 2.374 7.490 ( 0.002 2.483 0.035) 2.483 7.601 ( 0.815 5.852 -0.914) 5.979 7.780 ( 2.062 0.845 -1.095) 2.483 7.807 ( -1.853 4.252 0.894) 4.724 8.266 ( -6.797 0.598 4.708) 8.290 8.403 ( 0.453 -0.473 -1.911) 2.020 8.511 ( 4.585 2.481 1.012) 5.311 8.643 ( -2.575 -2.276 1.423) 3.720 8.784 ( 1.803 -1.183 -4.840) 5.299 9.142 ( -0.774 -3.660 5.172) 6.383 9.218 ( -0.631 -2.812 -6.458) 7.072 9.831 ( 0.303 -3.122 -0.306) 3.152 10.057 ( -0.047 -4.049 -1.080) 4.191 10.473 ( 1.528 -6.459 3.909) 7.703 10.584 ( 0.260 -6.498 0.618) 6.533 ======================= Grid point 139 (66/91) ======================= q-point: (-0.20 0.08 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( -7.180 6.792 15.835) 18.666 0.973 ( -8.170 14.117 12.496) 20.548 1.224 ( 0.064 18.945 -2.842) 19.157 1.357 ( -2.061 2.809 -13.917) 14.347 1.487 ( 0.623 9.377 -9.277) 13.206 1.608 ( -0.729 4.803 -8.821) 10.070 1.822 ( -9.979 9.283 18.232) 22.763 1.914 ( 0.742 5.097 -0.936) 5.235 1.986 ( 4.250 4.657 7.427) 9.741 2.028 ( 5.619 2.913 8.198) 10.357 2.165 ( -0.452 9.400 1.179) 9.485 2.187 ( 8.535 9.738 1.523) 13.038 2.211 ( 1.296 11.216 -0.978) 11.333 2.255 ( 1.648 4.621 0.446) 4.927 2.288 ( 0.876 5.826 0.282) 5.898 2.753 ( -6.140 -0.589 -1.948) 6.469 2.853 ( -7.408 4.580 -23.471) 25.035 2.985 ( -2.854 1.295 -6.908) 7.585 3.223 ( 11.636 2.606 -4.882) 12.885 3.655 ( -4.675 -3.740 7.969) 9.968 3.803 ( 8.179 -1.264 11.856) 14.459 3.914 ( -3.136 -3.964 2.939) 5.847 4.112 ( 0.388 -3.829 -1.121) 4.009 4.470 ( -3.396 -3.497 -3.779) 6.168 5.254 ( 2.260 -1.394 1.656) 3.130 5.417 ( -2.991 -5.409 -3.056) 6.895 5.623 ( 1.451 12.375 0.069) 12.460 5.722 ( 1.205 1.251 3.718) 4.104 5.923 ( 1.297 -2.186 -3.191) 4.080 6.029 ( -1.233 3.981 -1.494) 4.427 6.191 ( 3.180 10.416 -1.409) 10.982 6.284 ( 2.049 4.826 3.786) 6.468 6.360 ( 1.346 -1.648 -3.708) 4.275 6.433 ( 3.004 5.134 -0.699) 5.989 6.496 ( -2.804 -0.940 3.860) 4.863 6.661 ( -2.050 2.335 -2.106) 3.754 6.682 ( 0.087 2.453 2.186) 3.287 6.751 ( 0.486 6.068 0.120) 6.089 6.784 ( 3.260 -0.030 -2.235) 3.953 6.866 ( 2.279 2.826 1.208) 3.826 7.003 ( -0.105 2.650 1.582) 3.089 7.051 ( -1.740 -2.677 3.407) 4.669 7.204 ( 1.518 1.878 -0.895) 2.576 7.268 ( 3.302 0.570 -0.606) 3.405 7.417 ( -0.128 2.472 0.874) 2.625 7.491 ( 0.026 2.499 0.119) 2.502 7.595 ( 0.173 5.690 -3.040) 6.454 7.682 ( -7.610 4.735 -4.070) 9.844 7.864 ( 5.792 -0.339 -0.372) 5.813 8.155 ( -8.633 1.789 5.535) 10.410 8.428 ( 3.456 1.138 -1.069) 3.792 8.577 ( 0.205 -1.614 -0.818) 1.821 8.600 ( -1.184 2.388 1.014) 2.852 8.815 ( 4.022 -1.437 -1.511) 4.530 9.127 ( -4.130 -1.857 -7.794) 9.014 9.153 ( -1.047 -3.394 4.265) 5.550 9.801 ( -2.930 -3.542 1.191) 4.748 10.071 ( 1.514 -4.071 -0.112) 4.345 10.554 ( 3.643 -7.868 0.974) 8.725 10.615 ( 1.946 -8.096 2.795) 8.783 ======================= Grid point 140 (67/91) ======================= q-point: ( 0.00 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 3.466 11.429 10.775) 16.085 1.227 ( -1.531 12.690 15.772) 20.301 1.298 ( -4.045 8.101 -10.946) 14.206 1.529 ( -1.532 11.824 -10.909) 16.161 1.622 ( 1.504 8.796 -6.137) 10.831 1.751 ( -0.819 16.654 -2.867) 16.919 2.056 ( 2.830 4.760 -0.686) 5.580 2.061 ( -0.783 8.700 -0.169) 8.737 2.231 ( 3.648 7.562 1.747) 8.576 2.251 ( -1.649 3.585 0.922) 4.052 2.325 ( 4.380 6.587 6.659) 10.340 2.398 ( -2.728 7.235 -1.280) 7.838 2.426 ( -2.463 15.908 11.160) 19.588 2.539 ( 3.430 14.559 2.016) 15.093 2.614 ( -2.597 9.104 -0.029) 9.467 2.662 ( 0.958 11.769 -0.799) 11.834 2.855 ( -0.581 13.986 -19.433) 23.950 2.926 ( -0.869 10.077 -1.810) 10.275 3.450 ( -1.258 -2.059 0.373) 2.442 3.533 ( 1.254 0.647 2.124) 2.550 3.731 ( -1.044 -6.670 2.717) 7.278 3.893 ( 1.378 -6.562 0.790) 6.751 4.081 ( 2.540 -3.226 3.818) 5.606 4.298 ( -2.882 -4.273 -2.288) 5.639 5.260 ( 0.770 -2.332 1.210) 2.738 5.292 ( -1.244 -1.991 -1.233) 2.652 5.762 ( 2.220 0.141 2.699) 3.498 5.837 ( -1.704 0.835 -2.639) 3.250 5.940 ( 0.090 7.626 -0.441) 7.640 6.117 ( -0.113 5.405 -0.086) 5.407 6.323 ( -4.156 3.890 2.543) 6.234 6.406 ( 1.361 4.287 2.726) 5.260 6.421 ( 1.386 5.907 0.141) 6.069 6.501 ( 2.802 1.334 -3.949) 5.022 6.579 ( 1.431 2.572 -1.846) 3.474 6.605 ( -3.240 1.966 0.300) 3.802 6.790 ( 1.425 3.466 1.768) 4.144 6.800 ( -1.556 1.238 -0.823) 2.152 6.879 ( 2.414 1.896 -2.040) 3.686 6.882 ( -1.609 -2.957 -0.214) 3.373 7.014 ( 0.490 7.577 -0.625) 7.619 7.093 ( 1.459 1.216 1.053) 2.172 7.312 ( -0.124 4.110 0.839) 4.196 7.349 ( 1.286 3.039 -1.223) 3.519 7.494 ( -0.163 2.717 3.324) 4.296 7.585 ( -0.148 6.199 0.051) 6.201 7.610 ( -2.502 5.108 -4.147) 7.039 7.746 ( -1.032 9.961 0.358) 10.021 7.892 ( -1.005 -2.988 0.665) 3.222 8.153 ( -0.780 6.323 2.769) 6.947 8.457 ( -1.783 -5.639 1.013) 6.000 8.533 ( 4.955 0.976 -5.172) 7.229 8.671 ( 0.452 1.881 -3.765) 4.233 8.870 ( 2.634 -0.653 2.986) 4.035 8.972 ( -2.484 -2.855 -5.272) 6.489 9.090 ( 0.220 -2.516 1.231) 2.810 9.676 ( -2.379 -5.259 5.190) 7.762 9.977 ( 1.213 -7.082 -1.781) 7.403 10.400 ( -0.017 -10.405 1.602) 10.527 10.437 ( -0.327 -11.403 1.144) 11.465 ======================= Grid point 141 (68/91) ======================= q-point: ( 0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 1.468 7.128 -4.706) 8.667 1.286 ( 5.833 11.001 7.665) 14.622 1.382 ( 7.250 12.141 11.807) 18.423 1.464 ( 1.154 11.860 -8.966) 14.913 1.617 ( 2.308 9.016 -4.294) 10.249 1.714 ( -2.735 18.839 0.672) 19.048 1.977 ( -5.650 3.913 -2.363) 7.267 2.073 ( -1.321 4.956 -2.280) 5.613 2.152 ( -5.622 4.731 -3.327) 8.066 2.296 ( -1.385 5.219 -5.072) 7.408 2.327 ( 1.640 5.385 1.118) 5.739 2.418 ( 1.387 10.070 2.845) 10.556 2.459 ( -0.578 15.428 6.865) 16.896 2.519 ( -5.244 11.990 1.444) 13.166 2.680 ( 5.250 19.278 8.427) 21.684 2.736 ( 2.007 16.596 -15.705) 22.937 2.760 ( 8.181 2.674 2.530) 8.971 2.988 ( 1.992 9.164 0.310) 9.383 3.266 ( -9.923 5.938 0.227) 11.566 3.618 ( 2.239 -7.258 0.193) 7.597 3.770 ( 2.535 -5.593 2.556) 6.652 3.897 ( -0.818 -6.870 -3.058) 7.564 4.073 ( -3.372 -2.359 -3.557) 5.439 4.297 ( 2.120 -4.209 5.028) 6.891 5.245 ( -2.119 -2.356 -1.094) 3.353 5.281 ( 0.077 -2.133 2.071) 2.974 5.770 ( -1.507 0.624 -3.720) 4.061 5.819 ( 0.318 -0.116 2.437) 2.460 5.930 ( -0.754 7.659 -0.359) 7.704 6.133 ( 1.587 5.509 0.651) 5.770 6.263 ( -3.748 5.624 3.643) 7.678 6.420 ( -0.128 9.396 -1.125) 9.464 6.447 ( -1.000 2.693 3.860) 4.811 6.475 ( -3.706 3.234 -4.379) 6.586 6.562 ( 3.292 0.394 -5.617) 6.523 6.631 ( 1.431 0.154 2.411) 2.808 6.715 ( -3.393 -0.568 0.504) 3.477 6.819 ( 1.105 3.504 0.804) 3.761 6.889 ( 1.484 4.043 -2.312) 4.888 6.935 ( -1.367 0.583 2.153) 2.616 7.012 ( 4.735 2.659 -2.584) 6.014 7.121 ( 0.315 3.595 -1.231) 3.813 7.280 ( -3.367 2.634 0.663) 4.327 7.327 ( -1.719 4.876 -2.670) 5.819 7.483 ( -2.079 4.314 2.513) 5.408 7.574 ( -0.750 5.330 -0.001) 5.382 7.630 ( 3.763 3.997 0.738) 5.540 7.772 ( 2.746 9.445 3.179) 10.337 7.835 ( -4.076 0.046 1.300) 4.279 8.223 ( 5.094 2.900 1.978) 6.186 8.418 ( -2.355 -4.601 -0.930) 5.252 8.561 ( 0.389 1.320 -1.805) 2.270 8.659 ( 0.681 1.031 -3.986) 4.173 8.848 ( -3.400 0.329 -3.617) 4.975 8.961 ( 1.784 -4.878 2.354) 5.703 9.126 ( 2.776 -3.384 -0.829) 4.455 9.687 ( -0.163 -4.548 5.319) 7.000 9.979 ( 0.400 -7.319 -2.638) 7.790 10.379 ( -2.602 -9.035 0.609) 9.422 10.429 ( -1.158 -11.622 0.967) 11.719 ======================= Grid point 142 (69/91) ======================= q-point: ( 0.40 0.15 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -0.524 8.645 -2.305) 8.962 1.444 ( 4.620 10.183 -9.863) 14.910 1.480 ( 5.742 10.948 9.629) 15.670 1.571 ( 6.635 11.546 3.589) 13.792 1.643 ( -4.389 16.629 0.675) 17.212 1.676 ( 4.195 12.197 0.971) 12.935 1.864 ( -4.297 2.973 -0.536) 5.252 1.973 ( -4.636 1.888 -6.438) 8.155 2.062 ( -1.764 7.503 -2.692) 8.164 2.245 ( -0.058 4.379 -5.111) 6.731 2.364 ( 0.553 6.952 0.908) 7.033 2.427 ( -3.372 14.785 5.213) 16.036 2.441 ( -1.786 13.271 -0.128) 13.392 2.497 ( 0.525 17.174 0.718) 17.197 2.716 ( 4.558 12.580 -9.781) 16.574 2.730 ( -8.316 9.457 4.613) 13.412 2.928 ( 3.289 9.575 8.829) 13.433 2.987 ( 5.427 5.470 0.889) 7.757 3.238 ( 4.517 6.233 0.691) 7.729 3.635 ( -0.808 -8.940 1.182) 9.054 3.768 ( -7.282 -0.380 -9.491) 11.968 3.820 ( 1.121 -6.016 0.679) 6.157 4.019 ( -0.633 -3.247 0.023) 3.309 4.378 ( 2.229 -6.274 4.229) 7.888 5.206 ( -1.192 -0.853 -0.611) 1.588 5.304 ( 0.788 -4.772 2.351) 5.378 5.720 ( -1.385 2.402 -2.918) 4.025 5.831 ( 0.208 -1.595 0.564) 1.705 5.914 ( -0.513 8.202 -0.488) 8.233 6.179 ( 2.015 5.781 2.347) 6.557 6.245 ( -0.639 6.607 4.094) 7.799 6.357 ( -4.608 1.956 -2.092) 5.426 6.417 ( 0.909 10.676 -2.918) 11.105 6.435 ( -1.660 2.900 -0.571) 3.391 6.544 ( -1.583 0.997 -1.623) 2.477 6.667 ( 2.066 -1.848 -1.738) 3.272 6.740 ( 3.241 0.254 2.028) 3.831 6.823 ( -1.403 0.321 -0.650) 1.579 6.894 ( -0.571 5.854 2.231) 6.291 6.924 ( 1.554 6.236 -0.692) 6.464 7.052 ( -2.544 1.760 -1.140) 3.297 7.129 ( 3.249 2.586 -2.147) 4.675 7.229 ( -0.920 2.972 0.084) 3.112 7.270 ( -2.913 7.158 -1.268) 7.831 7.474 ( -0.799 4.275 2.643) 5.090 7.561 ( -0.403 4.146 -0.262) 4.174 7.685 ( 1.797 4.681 -0.036) 5.014 7.790 ( -0.955 1.465 0.055) 1.749 7.874 ( 3.676 6.881 5.601) 9.604 8.311 ( 0.922 0.252 0.874) 1.296 8.374 ( 0.623 -2.903 -2.506) 3.885 8.539 ( -2.065 1.941 1.209) 3.081 8.641 ( -0.664 0.863 -0.341) 1.141 8.778 ( -0.618 -0.864 -5.820) 5.916 9.006 ( 0.717 -6.683 3.565) 7.608 9.162 ( 2.102 -3.306 -2.949) 4.904 9.728 ( 0.945 -4.287 3.962) 5.914 9.961 ( -0.315 -7.164 -2.639) 7.641 10.330 ( -2.653 -8.273 1.053) 8.752 10.414 ( -0.742 -10.526 0.417) 10.561 ======================= Grid point 143 (70/91) ======================= q-point: (-0.40 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( -6.303 11.617 3.863) 13.770 1.395 ( -7.704 12.354 -0.538) 14.570 1.517 ( -0.606 10.863 -3.609) 11.463 1.636 ( 2.341 16.011 -0.113) 16.181 1.717 ( 0.901 3.013 -2.685) 4.135 1.755 ( 7.716 13.434 -6.625) 16.850 1.850 ( 3.789 3.414 3.423) 6.143 1.890 ( 1.181 4.926 -2.307) 5.566 2.050 ( 1.554 7.288 -1.199) 7.548 2.222 ( 0.329 3.486 -2.913) 4.555 2.327 ( -7.567 12.832 8.553) 17.178 2.391 ( -2.582 15.043 6.397) 16.550 2.435 ( 0.073 11.570 0.494) 11.580 2.513 ( 2.024 19.113 -1.649) 19.290 2.577 ( -5.655 17.947 0.421) 18.822 2.773 ( 1.677 2.690 0.902) 3.296 3.036 ( 2.473 1.561 -0.277) 2.937 3.056 ( 5.411 7.495 -6.741) 11.441 3.320 ( -0.338 3.380 -3.873) 5.152 3.587 ( -5.034 -7.281 5.390) 10.363 3.642 ( 2.063 6.355 -0.200) 6.685 3.841 ( 0.342 -7.023 -0.475) 7.047 4.015 ( -0.312 -4.533 0.547) 4.577 4.411 ( -0.558 -7.038 0.768) 7.102 5.199 ( 0.670 -0.400 0.078) 0.785 5.326 ( 0.198 -5.876 0.421) 5.894 5.689 ( -0.491 3.024 -0.162) 3.067 5.846 ( 1.502 -0.941 -0.862) 1.970 5.913 ( 0.892 7.960 -0.509) 8.026 6.196 ( -2.611 6.280 1.253) 6.916 6.290 ( 2.581 4.740 3.410) 6.384 6.308 ( 1.121 3.687 0.306) 3.866 6.380 ( -0.951 3.432 -2.646) 4.437 6.466 ( 4.615 8.055 -2.460) 9.603 6.515 ( -1.368 1.517 1.058) 2.300 6.680 ( 0.781 -1.898 -2.161) 2.980 6.774 ( -2.356 -0.714 -1.735) 3.012 6.798 ( 0.907 2.205 1.663) 2.907 6.907 ( 0.347 6.512 1.253) 6.640 6.926 ( -1.728 5.762 -1.282) 6.151 7.020 ( 0.677 2.976 2.257) 3.796 7.109 ( -4.179 1.985 -0.482) 4.652 7.236 ( 1.236 3.246 -0.447) 3.502 7.263 ( 2.799 6.904 -0.618) 7.475 7.477 ( -0.572 3.882 2.096) 4.449 7.560 ( 0.527 4.301 -0.159) 4.336 7.704 ( 0.808 4.334 -1.617) 4.696 7.798 ( 1.978 1.519 -0.816) 2.624 7.922 ( -2.115 6.347 1.617) 6.882 8.277 ( -3.481 0.514 3.486) 4.954 8.393 ( 2.258 -0.525 -4.854) 5.380 8.518 ( -1.536 -2.714 2.363) 3.913 8.655 ( 2.077 4.766 1.305) 5.360 8.747 ( 0.944 -2.380 -4.581) 5.248 9.027 ( -0.550 -7.376 2.755) 7.893 9.162 ( 0.320 -2.368 -4.176) 4.811 9.747 ( -1.504 -5.108 1.997) 5.687 9.947 ( 0.525 -6.587 -1.387) 6.752 10.316 ( 0.131 -8.667 2.863) 9.129 10.413 ( 0.444 -9.959 0.237) 9.971 ======================= Grid point 144 (71/91) ======================= q-point: (-0.20 0.15 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.016 ( -4.280 14.172 7.928) 16.793 1.246 ( -9.220 12.732 10.608) 18.964 1.451 ( -3.317 6.669 -10.193) 12.624 1.622 ( 0.845 16.964 -7.857) 18.714 1.654 ( -2.841 6.909 -6.584) 9.958 1.782 ( 1.049 12.262 -6.741) 14.033 1.947 ( 6.278 3.686 1.464) 7.425 2.030 ( 5.790 4.410 2.826) 7.807 2.114 ( 5.728 7.845 0.750) 9.743 2.224 ( 0.961 6.804 3.346) 7.643 2.274 ( -4.021 11.056 8.765) 14.670 2.392 ( -2.352 14.069 8.273) 16.490 2.441 ( -0.339 10.867 0.997) 10.918 2.518 ( -1.080 16.694 -0.288) 16.731 2.563 ( 4.746 19.043 -2.855) 19.832 2.741 ( -5.241 0.102 1.146) 5.366 2.984 ( -2.960 7.208 -13.457) 15.550 3.053 ( -3.708 7.192 -5.897) 10.012 3.313 ( 8.014 5.964 -4.484) 10.950 3.549 ( -2.267 -6.574 6.801) 9.727 3.773 ( 0.465 -1.838 4.328) 4.725 3.820 ( 1.379 -4.499 2.732) 5.441 4.022 ( 0.897 -4.261 1.308) 4.546 4.372 ( -2.783 -6.055 -2.196) 7.016 5.227 ( 1.801 -1.144 0.697) 2.245 5.317 ( -0.652 -3.828 -1.243) 4.077 5.706 ( 1.471 1.749 2.418) 3.326 5.863 ( 0.755 0.235 -1.855) 2.016 5.932 ( 1.112 7.037 -0.643) 7.153 6.141 ( -2.390 5.817 -0.400) 6.302 6.353 ( 3.075 2.545 -1.305) 4.199 6.360 ( -1.065 5.596 3.533) 6.703 6.373 ( 2.678 3.676 2.264) 5.080 6.497 ( -0.904 1.788 0.698) 2.121 6.542 ( 4.564 5.724 -4.720) 8.711 6.662 ( -1.930 -1.241 -0.147) 2.299 6.747 ( 1.529 1.137 -2.289) 2.978 6.798 ( -0.817 2.604 1.709) 3.220 6.878 ( -1.142 4.408 -0.884) 4.638 6.953 ( 2.421 5.292 1.094) 5.921 6.993 ( -5.002 -0.345 -1.674) 5.286 7.071 ( 0.342 4.500 3.600) 5.773 7.294 ( 1.627 5.920 -0.661) 6.175 7.297 ( 3.729 1.998 0.171) 4.234 7.480 ( -0.423 3.171 2.137) 3.847 7.575 ( 0.884 5.895 0.033) 5.961 7.688 ( -0.887 3.579 -4.307) 5.669 7.817 ( -4.872 5.119 -0.715) 7.103 7.859 ( 2.016 2.946 -0.963) 3.698 8.214 ( -6.070 3.976 3.929) 8.252 8.435 ( 5.332 -0.854 -4.544) 7.057 8.502 ( -1.485 -4.181 2.150) 4.930 8.685 ( 1.039 3.612 -3.821) 5.359 8.784 ( 3.936 -0.665 1.878) 4.411 9.022 ( -0.794 -7.247 -0.582) 7.314 9.121 ( -2.079 -0.508 -2.894) 3.599 9.708 ( -3.614 -5.517 3.170) 7.318 9.960 ( 1.446 -6.642 -1.111) 6.888 10.361 ( 1.886 -10.288 3.411) 11.002 10.428 ( 0.679 -10.282 0.459) 10.315 ======================= Grid point 145 (72/91) ======================= q-point: ( 0.00 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 0.155 12.780 4.394) 13.515 1.482 ( -0.658 12.240 9.735) 15.653 1.494 ( -2.022 11.063 -3.131) 11.674 1.742 ( -1.193 10.011 -5.286) 11.384 1.764 ( 2.025 5.973 -13.279) 14.700 1.997 ( 1.269 6.584 -2.539) 7.170 2.175 ( 3.450 3.696 0.777) 5.115 2.207 ( -0.661 5.837 -0.546) 5.900 2.292 ( -1.920 2.244 -0.277) 2.966 2.351 ( 2.283 4.162 4.852) 6.788 2.414 ( 4.533 6.433 -1.079) 7.943 2.494 ( -4.657 2.741 -4.290) 6.899 2.728 ( -1.042 9.680 1.183) 9.808 2.798 ( -2.658 9.436 5.567) 11.273 2.886 ( -1.288 18.315 6.351) 19.428 2.964 ( 2.649 15.157 -0.918) 15.415 3.165 ( 3.351 14.693 -6.907) 16.578 3.201 ( -2.320 14.999 0.939) 15.206 3.431 ( -0.027 0.750 -0.313) 0.813 3.460 ( -0.305 -6.779 0.708) 6.822 3.704 ( 1.075 2.758 2.298) 3.747 3.787 ( -0.970 -0.366 -3.734) 3.875 4.043 ( 1.249 0.532 2.938) 3.237 4.212 ( -1.609 -3.734 0.453) 4.091 5.220 ( 0.009 -1.111 -0.400) 1.181 5.285 ( -0.213 0.773 -0.145) 0.815 5.771 ( 0.915 0.894 0.596) 1.411 5.861 ( -0.728 1.953 -0.670) 2.189 6.003 ( -0.178 0.463 0.392) 0.632 6.223 ( -0.162 5.238 0.037) 5.240 6.395 ( -1.852 2.269 2.672) 3.965 6.448 ( 3.500 -0.334 -1.582) 3.855 6.468 ( -0.518 0.520 0.693) 1.010 6.563 ( -1.718 -0.238 4.116) 4.466 6.614 ( 0.355 2.209 0.106) 2.240 6.668 ( 1.417 5.432 -4.610) 7.264 6.823 ( 3.552 1.202 0.410) 3.773 6.836 ( -3.924 2.115 -0.607) 4.499 6.902 ( -1.389 4.375 -0.536) 4.621 6.946 ( 0.555 4.052 -1.534) 4.368 7.118 ( 0.644 1.655 0.855) 1.971 7.177 ( 0.552 7.556 -0.317) 7.583 7.373 ( -0.848 2.201 1.321) 2.704 7.445 ( 1.259 6.872 -1.662) 7.181 7.507 ( 0.392 -1.249 2.183) 2.546 7.697 ( -1.504 4.711 -0.276) 4.953 7.741 ( 2.944 3.390 -0.697) 4.544 7.780 ( -2.831 0.031 -1.039) 3.016 8.027 ( -2.076 13.185 1.836) 13.473 8.243 ( 0.960 -2.569 0.248) 2.754 8.369 ( -4.231 1.137 4.422) 6.225 8.538 ( 6.675 0.098 -8.647) 10.924 8.659 ( 0.173 -2.307 -2.460) 3.377 8.813 ( 0.081 -7.314 0.600) 7.339 8.943 ( 0.008 3.075 -0.586) 3.130 9.099 ( -0.741 2.437 -0.296) 2.565 9.563 ( -1.856 -5.899 5.184) 8.070 9.827 ( 1.008 -7.639 -2.385) 8.066 10.191 ( 0.232 -10.053 2.542) 10.373 10.218 ( -0.443 -10.228 -0.609) 10.256 ======================= Grid point 146 (73/91) ======================= q-point: ( 0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.346 ( 1.331 10.864 -0.747) 10.971 1.511 ( 3.799 11.035 4.657) 12.566 1.615 ( 6.698 10.871 8.231) 15.192 1.694 ( 1.391 11.320 -8.196) 14.045 1.768 ( 4.418 6.092 -4.175) 8.606 1.976 ( -1.693 6.895 -3.186) 7.782 2.093 ( -7.259 4.840 -2.020) 8.955 2.144 ( -5.888 3.683 -1.699) 7.149 2.251 ( -3.583 5.219 -1.407) 6.485 2.381 ( 0.605 1.936 -1.152) 2.333 2.440 ( 2.066 7.202 -4.724) 8.857 2.547 ( 5.637 2.457 5.186) 8.044 2.728 ( 0.119 11.643 2.216) 11.853 2.800 ( -1.612 11.864 5.721) 13.270 2.906 ( 0.781 13.499 1.571) 13.612 3.028 ( 3.870 13.050 0.803) 13.636 3.099 ( -2.532 16.750 -4.993) 17.661 3.236 ( 0.238 13.316 0.652) 13.334 3.370 ( -2.969 0.148 -0.245) 2.983 3.469 ( 0.129 -2.933 -0.050) 2.936 3.722 ( 0.233 1.687 -1.901) 2.552 3.783 ( 1.188 -1.380 0.957) 2.057 4.053 ( -0.796 1.370 -1.529) 2.202 4.208 ( 0.116 -4.190 3.257) 5.308 5.208 ( -0.871 -0.941 -0.064) 1.284 5.268 ( -1.431 0.467 0.342) 1.544 5.783 ( 0.795 0.954 -1.620) 2.041 5.838 ( -1.745 2.107 0.897) 2.879 5.996 ( -0.721 0.933 0.413) 1.249 6.243 ( 1.847 5.417 0.653) 5.760 6.357 ( -2.647 2.733 0.908) 3.912 6.459 ( -0.959 -0.436 -0.850) 1.354 6.502 ( 0.930 1.682 1.503) 2.440 6.586 ( 1.422 -2.160 1.885) 3.200 6.599 ( -0.254 4.120 -1.172) 4.291 6.643 ( -0.343 3.370 -4.020) 5.257 6.738 ( -3.914 3.846 -0.961) 5.571 6.863 ( -0.089 1.419 0.319) 1.458 6.939 ( 3.860 3.246 -0.062) 5.044 6.978 ( 0.722 3.430 2.578) 4.351 7.118 ( 2.812 5.359 -2.040) 6.386 7.202 ( 0.006 4.544 -0.087) 4.545 7.316 ( -4.493 0.851 1.462) 4.801 7.442 ( 0.063 6.337 -2.139) 6.689 7.547 ( 1.189 1.825 0.653) 2.275 7.673 ( -1.754 2.953 0.126) 3.437 7.734 ( 1.223 6.361 -0.624) 6.507 7.809 ( 2.072 0.252 1.559) 2.605 8.002 ( -1.867 10.590 3.298) 11.248 8.280 ( 1.929 -3.856 -0.533) 4.345 8.329 ( -1.719 2.790 2.869) 4.356 8.574 ( 2.477 -0.046 -7.084) 7.505 8.650 ( 0.362 -1.985 -2.008) 2.846 8.823 ( 0.681 -7.460 -0.682) 7.522 8.893 ( -3.910 3.613 0.614) 5.359 9.108 ( 1.007 1.284 0.301) 1.660 9.586 ( 0.536 -5.452 5.014) 7.426 9.823 ( 0.366 -7.866 -2.746) 8.339 10.194 ( -1.553 -9.272 -0.454) 9.412 10.203 ( -0.434 -10.463 1.484) 10.577 ======================= Grid point 147 (74/91) ======================= q-point: ( 0.40 0.23 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 0.975 11.577 -1.798) 11.756 1.630 ( 4.688 8.341 1.582) 9.698 1.682 ( 2.420 9.992 -2.164) 10.506 1.764 ( 5.767 7.188 -0.445) 9.226 1.894 ( -4.585 8.606 -1.116) 9.815 1.920 ( 7.798 7.667 5.379) 12.187 1.950 ( -6.436 8.221 -0.170) 10.442 2.024 ( -2.110 3.444 -5.465) 6.796 2.169 ( -2.592 3.361 -1.883) 4.644 2.348 ( -1.961 5.384 -7.225) 9.222 2.459 ( 1.114 3.021 -0.258) 3.230 2.641 ( 1.484 4.792 2.716) 5.705 2.763 ( 1.278 12.257 3.494) 12.809 2.806 ( -1.112 15.332 4.930) 16.144 2.916 ( -0.727 14.477 0.116) 14.495 3.036 ( -3.104 12.711 1.327) 13.152 3.098 ( 3.732 10.086 -3.889) 11.435 3.176 ( -4.060 8.179 1.688) 9.286 3.372 ( 1.697 2.953 0.050) 3.406 3.480 ( 0.999 -2.401 -0.750) 2.706 3.704 ( -0.392 -4.230 -2.394) 4.876 3.807 ( 0.291 6.681 1.914) 6.956 4.014 ( -1.494 3.788 -2.344) 4.699 4.240 ( 0.686 -6.886 2.814) 7.470 5.199 ( -0.055 0.165 0.171) 0.243 5.246 ( -0.869 -1.039 0.543) 1.459 5.785 ( 0.047 4.003 -1.937) 4.447 5.814 ( -0.421 0.088 0.564) 0.709 5.985 ( -0.566 1.208 0.355) 1.381 6.290 ( 2.136 5.076 1.272) 5.653 6.327 ( -1.029 1.441 1.180) 2.127 6.408 ( -3.445 2.926 -0.618) 4.562 6.493 ( -1.709 2.596 1.005) 3.266 6.565 ( -1.312 2.276 0.495) 2.673 6.607 ( 0.734 2.360 -6.154) 6.632 6.663 ( 2.219 0.717 -0.315) 2.353 6.729 ( 3.247 0.991 0.954) 3.527 6.836 ( -2.416 2.515 0.360) 3.506 6.988 ( 0.426 3.316 0.997) 3.489 7.014 ( 2.788 4.527 0.568) 5.347 7.130 ( -2.625 5.476 -0.913) 6.141 7.205 ( -0.136 3.246 0.115) 3.251 7.290 ( 3.443 2.376 0.841) 4.267 7.397 ( -4.712 4.875 -0.376) 6.790 7.561 ( -0.036 3.909 1.601) 4.225 7.648 ( -0.168 4.342 -1.504) 4.598 7.773 ( 1.750 4.254 0.304) 4.610 7.842 ( 1.123 3.455 0.317) 3.647 8.008 ( 0.256 5.853 2.644) 6.427 8.284 ( 0.043 -3.511 0.312) 3.525 8.353 ( 1.123 2.635 0.813) 2.977 8.545 ( -1.353 -0.841 -4.290) 4.576 8.652 ( 0.715 -1.851 0.234) 1.999 8.796 ( -1.148 1.173 -4.074) 4.392 8.872 ( -0.108 -3.494 3.041) 4.633 9.125 ( 1.033 -0.275 -1.050) 1.499 9.629 ( 0.250 -5.517 4.591) 7.182 9.809 ( 0.245 -7.677 -2.805) 8.177 10.158 ( -1.715 -8.610 -0.060) 8.779 10.204 ( -0.170 -9.890 0.805) 9.924 ======================= Grid point 148 (75/91) ======================= q-point: (-0.40 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( -1.771 13.520 0.117) 13.635 1.609 ( -4.903 9.773 -2.151) 11.143 1.724 ( -6.415 8.717 -1.250) 10.895 1.775 ( 1.897 3.727 0.745) 4.248 1.874 ( 4.654 7.752 0.124) 9.043 1.917 ( 1.629 3.558 -0.417) 3.935 1.999 ( 7.329 10.118 -4.015) 13.123 2.053 ( -1.305 9.717 -3.016) 10.258 2.193 ( 4.419 6.790 2.880) 8.598 2.250 ( -0.749 0.001 -6.311) 6.356 2.459 ( -1.378 2.729 0.213) 3.064 2.651 ( -1.375 6.432 1.252) 6.696 2.785 ( -1.265 7.240 1.278) 7.460 2.821 ( -1.521 20.228 7.028) 21.468 2.902 ( 0.586 14.806 -1.815) 14.928 2.966 ( -6.314 18.096 5.925) 20.060 3.107 ( 1.974 6.796 -4.509) 8.391 3.203 ( 3.782 2.133 0.846) 4.423 3.386 ( -0.235 2.218 -0.835) 2.382 3.475 ( -0.861 0.121 -0.717) 1.127 3.690 ( 0.033 -6.842 -0.831) 6.893 3.831 ( 1.525 12.226 0.242) 12.323 3.979 ( -1.304 2.537 0.421) 2.883 4.257 ( -0.269 -7.654 1.014) 7.726 5.203 ( 0.398 0.775 -0.228) 0.900 5.252 ( 1.110 -1.763 0.131) 2.088 5.760 ( -1.388 3.758 0.416) 4.028 5.836 ( 2.352 0.725 -1.570) 2.920 5.985 ( 0.270 1.069 0.446) 1.189 6.295 ( -2.218 2.945 0.773) 3.767 6.350 ( 0.302 2.779 -0.300) 2.812 6.364 ( 1.150 2.337 2.163) 3.386 6.484 ( -0.677 3.815 3.034) 4.922 6.556 ( -0.242 2.683 1.213) 2.954 6.598 ( 2.515 2.045 -5.521) 6.402 6.668 ( -1.546 -0.222 -0.727) 1.723 6.761 ( 0.273 1.131 -2.153) 2.447 6.844 ( 2.951 3.633 -0.181) 4.684 6.987 ( -1.690 2.516 0.463) 3.066 7.030 ( -0.473 5.093 -0.809) 5.179 7.099 ( -0.509 5.494 2.223) 5.948 7.196 ( -0.920 4.192 0.840) 4.374 7.299 ( -3.343 2.599 0.095) 4.236 7.391 ( 4.654 4.820 0.147) 6.702 7.552 ( -2.368 3.236 2.173) 4.560 7.644 ( 0.741 3.530 -0.684) 3.671 7.781 ( -0.876 3.551 -0.353) 3.674 7.861 ( 1.001 4.531 -1.672) 4.933 8.034 ( 1.181 4.403 0.238) 4.564 8.288 ( -1.410 0.747 1.311) 2.065 8.371 ( 2.467 -1.542 -0.767) 3.009 8.486 ( -3.098 0.370 -0.687) 3.195 8.676 ( 1.346 -3.867 -1.023) 4.220 8.774 ( 1.598 3.400 -2.459) 4.490 8.888 ( 0.035 -3.726 1.815) 4.145 9.133 ( 0.893 -0.401 -2.158) 2.370 9.633 ( -2.926 -6.141 4.095) 7.940 9.807 ( 1.293 -7.158 -2.457) 7.678 10.142 ( -0.310 -8.431 1.595) 8.586 10.210 ( 0.490 -9.816 0.116) 9.829 ======================= Grid point 149 (76/91) ======================= q-point: (-0.20 0.23 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( -1.926 15.106 1.768) 15.330 1.490 ( -7.420 11.681 8.676) 16.333 1.607 ( -4.393 8.536 -6.484) 11.585 1.769 ( 0.641 5.441 -4.968) 7.396 1.884 ( -4.228 9.067 -11.424) 15.185 1.957 ( 3.885 5.473 -0.840) 6.764 2.061 ( 6.610 4.401 1.386) 8.061 2.123 ( 6.208 5.479 -0.153) 8.281 2.256 ( 5.916 4.896 -2.311) 8.020 2.305 ( 1.407 7.195 3.979) 8.342 2.415 ( -2.932 2.126 -0.004) 3.622 2.605 ( -4.127 3.394 -0.812) 5.405 2.750 ( -1.961 8.096 0.149) 8.331 2.826 ( -3.585 16.375 7.705) 18.449 2.884 ( -3.265 18.953 4.488) 19.749 2.934 ( 1.650 16.259 -1.533) 16.415 3.126 ( 2.660 8.214 -3.414) 9.285 3.251 ( -0.723 6.531 0.890) 6.631 3.383 ( 2.311 0.714 -1.419) 2.804 3.467 ( 0.462 1.894 -0.463) 2.004 3.687 ( -0.379 -5.197 1.084) 5.322 3.834 ( -0.782 6.694 -3.005) 7.379 3.991 ( 1.123 2.439 4.094) 4.896 4.243 ( -1.440 -6.101 -0.135) 6.271 5.213 ( 0.865 -0.207 -0.494) 1.017 5.276 ( 1.223 -0.361 -0.340) 1.320 5.752 ( 0.128 2.628 1.122) 2.860 5.864 ( 1.289 0.955 -1.440) 2.156 5.997 ( 0.522 0.750 0.363) 0.983 6.248 ( -2.335 4.781 0.074) 5.322 6.372 ( 2.292 0.504 0.240) 2.359 6.407 ( 0.660 0.902 2.871) 3.081 6.489 ( -1.424 3.717 2.645) 4.779 6.567 ( -0.210 3.187 2.207) 3.882 6.604 ( -0.703 -2.054 -0.148) 2.176 6.646 ( 3.287 2.649 -4.876) 6.449 6.774 ( 2.683 2.687 -3.233) 4.987 6.866 ( -0.608 3.966 0.472) 4.040 6.940 ( -1.936 3.218 -0.933) 3.870 7.027 ( -3.762 2.801 -1.755) 5.007 7.069 ( -0.119 5.751 2.463) 6.257 7.186 ( -0.143 5.845 1.435) 6.020 7.325 ( 3.668 0.977 0.481) 3.826 7.431 ( 0.704 7.294 -0.927) 7.387 7.521 ( -2.367 0.665 2.837) 3.754 7.678 ( 2.965 1.748 0.172) 3.447 7.743 ( -2.257 2.838 -1.358) 3.872 7.844 ( -1.652 3.307 -2.335) 4.372 8.043 ( -0.126 10.308 -0.326) 10.314 8.253 ( -2.537 -2.136 2.187) 3.973 8.423 ( -4.692 0.846 4.863) 6.810 8.450 ( 7.693 0.155 -7.681) 10.872 8.674 ( 0.166 -3.093 -2.804) 4.179 8.804 ( 1.075 -3.180 0.342) 3.374 8.911 ( 2.097 0.866 0.251) 2.282 9.125 ( -0.402 1.016 -2.118) 2.383 9.589 ( -4.028 -6.171 4.604) 8.689 9.818 ( 1.420 -7.246 -2.288) 7.730 10.163 ( 0.702 -9.332 2.803) 9.770 10.220 ( 0.511 -10.070 -0.350) 10.089 ======================= Grid point 150 (77/91) ======================= q-point: ( 0.00 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -1.500 11.540 2.071) 11.820 1.688 ( -0.618 9.006 -0.495) 9.041 1.729 ( 0.306 10.797 3.172) 11.257 1.850 ( 1.211 3.553 -5.799) 6.908 1.949 ( 0.058 9.653 -6.584) 11.685 2.097 ( 0.912 4.347 -3.011) 5.366 2.208 ( 1.967 -0.510 0.381) 2.067 2.234 ( 2.579 -0.452 -0.979) 2.795 2.295 ( -2.267 -0.349 -0.087) 2.295 2.437 ( -1.685 1.080 3.520) 4.049 2.528 ( 2.213 4.124 0.237) 4.686 2.567 ( 0.522 4.489 -2.859) 5.348 2.864 ( -2.008 3.127 5.913) 6.984 2.908 ( -0.745 1.861 0.286) 2.025 3.069 ( 0.274 -5.015 3.484) 6.113 3.136 ( -0.761 1.618 -1.527) 2.351 3.345 ( 1.127 3.324 -4.152) 5.437 3.412 ( -1.104 11.386 0.113) 11.440 3.492 ( -4.673 7.462 -0.661) 8.829 3.501 ( 4.233 5.439 0.674) 6.925 3.830 ( 4.950 13.308 6.147) 15.472 3.949 ( -3.192 13.125 -5.488) 14.580 4.142 ( -0.024 8.759 2.430) 9.090 4.180 ( -0.957 1.667 0.617) 2.019 5.220 ( -0.111 1.012 -0.707) 1.240 5.312 ( -0.008 1.708 -0.007) 1.709 5.800 ( 0.112 1.949 0.166) 1.960 5.892 ( -0.257 0.452 0.266) 0.584 6.036 ( -0.292 3.990 0.821) 4.084 6.334 ( 0.403 5.904 0.071) 5.918 6.410 ( 1.490 -2.760 1.153) 3.342 6.436 ( -1.060 1.402 0.549) 1.841 6.457 ( 0.280 0.085 -1.654) 1.679 6.564 ( -1.321 0.973 3.213) 3.608 6.649 ( 1.620 0.972 -1.287) 2.286 6.722 ( 1.045 0.147 -0.895) 1.384 6.836 ( 0.453 -0.991 -0.915) 1.423 6.868 ( -2.184 1.157 -1.036) 2.680 6.991 ( -1.356 3.929 -0.759) 4.225 7.076 ( -0.203 8.138 0.995) 8.201 7.151 ( 0.518 1.231 0.967) 1.649 7.277 ( 0.818 2.270 -0.062) 2.414 7.416 ( -6.464 0.346 3.389) 7.307 7.468 ( 6.532 -0.554 -1.405) 6.705 7.603 ( -0.533 7.713 -0.887) 7.782 7.644 ( 1.792 -4.594 -0.264) 4.939 7.815 ( -0.374 5.054 1.893) 5.409 7.893 ( -0.968 4.933 -3.841) 6.327 8.097 ( 0.538 -7.928 -0.800) 7.987 8.276 ( -2.748 10.255 3.580) 11.204 8.406 ( -0.824 -1.168 2.053) 2.501 8.564 ( 3.881 0.927 -6.515) 7.640 8.623 ( -0.540 0.722 -1.095) 1.419 8.670 ( 1.488 -5.155 -1.034) 5.464 9.023 ( -0.699 4.112 -0.094) 4.172 9.166 ( -0.328 4.010 0.381) 4.041 9.446 ( -1.339 -5.686 4.617) 7.445 9.681 ( 0.756 -6.834 -2.573) 7.341 10.009 ( 0.167 -7.838 1.524) 7.986 10.035 ( -0.315 -7.967 -0.327) 7.980 ======================= Grid point 151 (78/91) ======================= q-point: ( 0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 0.581 10.678 0.878) 10.730 1.714 ( 2.669 8.964 2.161) 9.599 1.796 ( 3.528 6.627 1.410) 7.639 1.859 ( 4.502 4.634 -4.497) 7.872 1.925 ( 0.528 10.400 -1.874) 10.581 2.086 ( -0.284 4.804 -2.549) 5.446 2.143 ( -5.592 1.790 -2.633) 6.434 2.173 ( -3.237 -0.152 -2.451) 4.063 2.360 ( 3.184 1.558 1.385) 3.806 2.397 ( -6.321 2.549 0.006) 6.815 2.521 ( 2.942 0.086 -1.485) 3.297 2.605 ( 1.511 4.135 -0.904) 4.495 2.900 ( 1.147 3.897 -0.237) 4.069 2.939 ( 2.749 1.041 8.230) 8.739 3.096 ( 0.896 -6.195 0.227) 6.263 3.126 ( 0.012 3.521 1.515) 3.834 3.273 ( -3.290 2.717 -4.676) 6.330 3.372 ( -6.074 8.581 0.950) 10.556 3.445 ( 0.353 6.185 2.345) 6.624 3.567 ( 2.105 8.361 0.080) 8.622 3.848 ( -2.613 12.432 -8.563) 15.320 3.959 ( 4.402 15.322 5.669) 16.920 4.156 ( -1.099 1.322 0.657) 1.840 4.168 ( 0.393 8.393 1.472) 8.531 5.211 ( -0.409 1.162 0.053) 1.233 5.291 ( -1.954 1.602 -0.011) 2.527 5.811 ( 0.994 1.817 -0.087) 2.073 5.881 ( -1.004 1.440 0.191) 1.766 6.035 ( -0.457 3.957 0.658) 4.037 6.354 ( 1.420 5.795 0.437) 5.983 6.393 ( -2.066 0.539 -1.156) 2.428 6.450 ( 1.395 0.189 -0.330) 1.446 6.491 ( 3.243 -1.842 0.664) 3.789 6.557 ( -1.140 0.484 1.565) 1.996 6.656 ( 0.191 0.766 -2.803) 2.912 6.677 ( -3.656 0.949 -1.610) 4.106 6.783 ( -2.639 0.439 -0.236) 2.686 6.880 ( 0.880 0.033 1.528) 1.763 7.023 ( 3.172 3.096 2.146) 4.924 7.083 ( -0.011 7.285 0.584) 7.308 7.196 ( 4.201 2.120 0.334) 4.718 7.282 ( -1.535 3.332 -0.763) 3.747 7.313 ( -4.735 -1.182 2.482) 5.475 7.533 ( -1.942 1.424 -0.506) 2.461 7.586 ( 2.535 1.634 -1.093) 3.208 7.682 ( 3.101 0.929 -3.245) 4.584 7.849 ( 1.065 4.389 -0.135) 4.518 7.866 ( 0.546 4.157 1.669) 4.513 8.098 ( 0.461 -3.002 -1.300) 3.304 8.247 ( -3.298 4.761 5.447) 7.950 8.411 ( 1.538 1.411 -1.631) 2.649 8.561 ( -1.345 -0.148 -3.328) 3.593 8.598 ( -0.559 -3.120 -0.630) 3.232 8.715 ( 3.649 -1.666 -3.006) 5.013 8.982 ( -3.239 4.749 1.226) 5.878 9.160 ( -0.644 3.617 0.392) 3.694 9.473 ( 0.874 -5.647 4.307) 7.155 9.673 ( 0.230 -7.014 -2.594) 7.482 10.012 ( -0.612 -7.996 0.055) 8.019 10.029 ( -0.156 -7.360 0.627) 7.388 ======================= Grid point 152 (79/91) ======================= q-point: ( 0.40 0.31 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 1.597 10.538 -0.772) 10.687 1.776 ( 2.131 6.068 1.677) 6.647 1.824 ( 0.739 2.590 -3.681) 4.561 1.906 ( 2.027 8.493 -3.144) 9.280 1.999 ( 0.696 4.580 0.671) 4.681 2.065 ( -2.102 3.596 0.263) 4.173 2.067 ( 3.922 5.592 5.072) 8.507 2.132 ( 2.193 5.840 -4.251) 7.549 2.244 ( -6.041 4.693 -1.851) 7.870 2.413 ( -1.210 0.754 -3.237) 3.537 2.496 ( -0.849 0.754 -4.407) 4.551 2.655 ( 1.749 -1.029 3.032) 3.649 2.895 ( -1.140 0.339 -0.270) 1.220 3.048 ( 1.739 0.475 7.936) 8.138 3.094 ( -2.021 3.038 1.198) 3.841 3.154 ( 0.422 1.454 4.548) 4.793 3.228 ( 4.047 2.648 -8.163) 9.488 3.277 ( -3.955 3.009 0.845) 5.041 3.453 ( -2.084 10.170 5.197) 11.609 3.590 ( 0.804 9.582 -0.409) 9.624 3.749 ( -1.859 10.517 -8.539) 13.674 4.061 ( 2.960 16.149 4.593) 17.049 4.127 ( -2.470 -1.511 1.735) 3.376 4.187 ( 1.029 10.590 -1.575) 10.756 5.214 ( 0.687 1.411 0.612) 1.684 5.253 ( -1.743 1.294 -0.244) 2.185 5.830 ( 0.538 1.566 0.251) 1.674 5.864 ( -0.209 3.015 -0.637) 3.089 6.027 ( -0.603 3.942 0.367) 4.005 6.350 ( -2.021 1.241 0.453) 2.414 6.387 ( 1.380 4.483 1.231) 4.850 6.457 ( -0.317 2.202 -1.180) 2.518 6.531 ( -1.194 2.172 -0.888) 2.633 6.561 ( 2.147 -2.684 0.661) 3.500 6.605 ( -1.646 -1.504 -0.812) 2.372 6.640 ( 0.042 -0.615 -2.391) 2.469 6.776 ( 1.455 1.621 -0.110) 2.181 6.891 ( -0.288 1.224 1.331) 1.831 7.072 ( -0.180 4.143 2.282) 4.733 7.104 ( 2.143 4.845 -0.852) 5.365 7.218 ( -2.482 1.250 1.958) 3.400 7.265 ( -1.575 3.912 0.551) 4.253 7.313 ( 5.226 0.704 1.210) 5.410 7.457 ( -5.445 1.248 0.116) 5.588 7.608 ( -0.117 0.123 -0.441) 0.472 7.722 ( 2.832 2.413 -4.021) 5.478 7.842 ( -0.084 2.868 -0.106) 2.872 7.916 ( 1.816 3.843 1.374) 4.467 8.102 ( 0.583 3.801 -1.062) 3.989 8.241 ( 0.326 -0.476 2.882) 2.939 8.438 ( 1.590 4.008 -1.503) 4.566 8.490 ( -3.353 -3.925 -1.741) 5.448 8.588 ( -0.327 -3.440 -0.211) 3.462 8.749 ( 1.468 -1.324 -2.064) 2.859 8.949 ( -0.799 6.288 1.303) 6.471 9.149 ( -0.389 2.487 -0.300) 2.535 9.513 ( -0.229 -5.952 4.432) 7.424 9.662 ( 0.645 -7.003 -2.880) 7.599 9.996 ( -0.795 -7.199 -0.083) 7.243 10.032 ( -0.030 -7.141 0.592) 7.166 ======================= Grid point 153 (80/91) ======================= q-point: (-0.40 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.605 ( 0.636 11.527 -1.694) 11.669 1.766 ( -3.496 4.891 0.039) 6.012 1.831 ( 0.963 2.969 -1.606) 3.510 1.894 ( -1.938 8.173 -2.131) 8.666 1.994 ( 1.277 4.116 -0.028) 4.310 2.031 ( 0.692 8.197 2.310) 8.544 2.135 ( 0.427 3.336 -4.138) 5.332 2.225 ( 3.968 0.465 -1.504) 4.269 2.231 ( 0.926 5.840 -3.706) 6.978 2.315 ( 3.285 4.359 0.001) 5.458 2.472 ( -2.462 -0.716 0.101) 2.566 2.675 ( -1.109 -1.362 1.122) 2.084 2.873 ( -1.483 -0.851 2.232) 2.812 3.061 ( -2.738 -0.035 3.970) 4.823 3.071 ( -4.553 2.476 5.063) 7.245 3.170 ( 1.161 2.795 -1.807) 3.525 3.260 ( 2.564 3.837 -2.705) 5.349 3.287 ( 3.833 3.038 -1.442) 5.099 3.460 ( 0.171 13.241 4.276) 13.915 3.594 ( -0.251 8.975 -0.480) 8.992 3.686 ( -0.226 9.208 -3.865) 9.988 4.088 ( -3.051 2.228 2.068) 4.307 4.121 ( 0.816 15.268 2.837) 15.551 4.187 ( 0.651 6.940 -2.393) 7.370 5.227 ( -0.372 1.542 -0.624) 1.705 5.247 ( 2.063 1.068 0.328) 2.347 5.822 ( -1.274 2.489 0.674) 2.876 5.874 ( 1.341 2.123 -1.182) 2.775 6.024 ( 0.114 3.949 0.575) 3.993 6.329 ( -1.045 1.200 2.042) 2.589 6.409 ( -0.868 2.587 0.405) 2.758 6.428 ( -0.662 4.045 0.349) 4.113 6.523 ( 0.463 1.811 0.379) 1.907 6.578 ( -0.497 -1.829 -1.440) 2.380 6.596 ( 0.060 -0.215 1.650) 1.665 6.628 ( 0.934 -2.224 -2.661) 3.592 6.807 ( 2.215 1.495 -2.785) 3.860 6.907 ( 1.386 1.228 -0.063) 1.853 7.073 ( -1.320 5.604 1.939) 6.075 7.105 ( -0.527 2.483 -1.046) 2.745 7.213 ( -0.944 4.405 3.622) 5.781 7.264 ( 1.729 3.025 -0.192) 3.490 7.328 ( -5.785 0.820 -0.091) 5.843 7.438 ( 4.671 0.234 1.916) 5.054 7.588 ( -2.036 -0.405 1.192) 2.394 7.707 ( -1.880 3.048 -2.304) 4.258 7.841 ( -0.171 2.311 -0.044) 2.318 7.951 ( 1.892 4.016 -2.200) 4.954 8.097 ( -0.469 2.641 -0.710) 2.774 8.295 ( 4.338 -0.695 -1.566) 4.665 8.385 ( -4.674 2.598 2.911) 6.089 8.495 ( 2.633 0.246 -2.087) 3.369 8.587 ( 0.576 -4.632 -0.342) 4.680 8.739 ( -1.403 -1.747 -0.869) 2.403 8.965 ( 1.819 6.639 -0.126) 6.885 9.149 ( 0.781 2.009 -0.521) 2.218 9.508 ( -3.250 -6.185 4.575) 8.351 9.666 ( 1.732 -6.783 -3.012) 7.621 9.987 ( -0.334 -6.819 0.821) 6.877 10.036 ( 0.163 -7.321 0.188) 7.325 ======================= Grid point 154 (81/91) ======================= q-point: (-0.20 0.31 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.594 ( -0.973 12.040 -1.439) 12.165 1.702 ( -3.866 8.833 5.206) 10.957 1.779 ( -3.077 8.138 -4.355) 9.729 1.867 ( 0.011 4.554 -2.159) 5.040 2.010 ( -1.007 5.209 -5.004) 7.293 2.089 ( 1.454 6.763 -3.370) 7.695 2.125 ( 5.154 3.037 -0.347) 5.992 2.152 ( 2.518 -1.290 -3.029) 4.145 2.378 ( 5.248 5.644 0.796) 7.748 2.388 ( -0.900 -0.608 -0.167) 1.099 2.439 ( 1.414 1.523 4.219) 4.703 2.630 ( -3.307 1.108 -1.289) 3.719 2.870 ( -1.159 1.898 3.630) 4.257 2.974 ( -6.903 -0.806 3.168) 7.638 3.052 ( -1.259 -1.964 4.271) 4.867 3.163 ( -0.198 1.716 -3.234) 3.667 3.303 ( 4.331 6.228 -4.590) 8.866 3.372 ( 5.308 7.704 1.507) 9.476 3.476 ( -0.637 9.471 -1.051) 9.551 3.567 ( -2.637 8.257 -0.117) 8.668 3.713 ( 3.347 9.988 3.901) 11.233 4.033 ( -3.301 10.211 -1.409) 10.823 4.134 ( -0.664 9.932 2.463) 10.255 4.187 ( 0.175 3.978 -0.544) 4.019 5.223 ( 0.310 1.202 -1.029) 1.612 5.290 ( 2.064 1.457 0.085) 2.528 5.805 ( -0.766 2.582 0.391) 2.721 5.888 ( 0.623 0.725 -0.321) 1.009 6.033 ( 0.159 3.981 0.738) 4.051 6.332 ( -0.455 2.863 2.081) 3.569 6.386 ( -0.027 1.736 -0.212) 1.749 6.434 ( -0.127 2.023 1.236) 2.374 6.504 ( -3.307 -1.821 -0.467) 3.804 6.558 ( 0.382 0.516 1.374) 1.517 6.622 ( 1.286 1.711 0.422) 2.181 6.668 ( 4.040 -0.948 -1.079) 4.288 6.822 ( 1.905 1.190 -3.650) 4.286 6.911 ( -0.672 0.222 -1.564) 1.716 7.042 ( -2.545 5.064 0.491) 5.689 7.096 ( -0.554 4.678 -0.636) 4.754 7.171 ( -5.375 4.392 2.708) 7.450 7.260 ( 0.868 0.954 1.440) 1.934 7.349 ( 5.497 1.486 -1.124) 5.805 7.497 ( -2.228 -0.996 3.315) 4.116 7.569 ( 1.381 2.196 -0.023) 2.594 7.658 ( -1.868 1.079 -0.445) 2.202 7.829 ( -1.203 4.122 0.394) 4.312 7.940 ( -0.707 4.976 -4.394) 6.676 8.090 ( 0.396 -5.164 -0.547) 5.208 8.308 ( -2.349 8.256 1.362) 8.691 8.390 ( 1.998 -2.646 1.351) 3.580 8.524 ( 2.896 3.196 -3.308) 5.435 8.608 ( 1.987 -3.184 -1.393) 4.003 8.696 ( -2.562 -3.424 -0.096) 4.277 9.005 ( 2.450 5.410 -0.943) 6.013 9.164 ( 0.653 2.866 -0.167) 2.944 9.467 ( -3.794 -5.956 4.734) 8.502 9.678 ( 1.376 -6.687 -2.828) 7.390 9.995 ( 0.193 -7.312 1.616) 7.491 10.039 ( 0.064 -7.779 -0.172) 7.781 ======================= Grid point 155 (82/91) ======================= q-point: ( 0.00 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -1.568 7.507 1.292) 7.778 1.833 ( 0.706 5.031 -1.056) 5.188 1.883 ( 0.599 3.460 -2.019) 4.051 1.933 ( -0.037 5.855 -2.447) 6.345 2.122 ( -0.058 6.938 -1.763) 7.159 2.133 ( 0.997 -1.385 -0.856) 1.910 2.214 ( 0.836 4.175 -0.847) 4.341 2.245 ( 0.987 1.115 -1.691) 2.253 2.297 ( -0.273 0.341 -0.460) 0.635 2.418 ( -0.697 -2.184 1.847) 2.944 2.578 ( 3.495 1.174 1.581) 4.012 2.623 ( -2.023 1.119 -2.124) 3.139 2.817 ( 0.305 -8.256 4.324) 9.325 2.872 ( 0.542 -4.984 0.097) 5.014 2.945 ( -2.764 -2.262 0.749) 3.649 3.079 ( -0.194 -5.377 2.452) 5.913 3.401 ( -0.011 2.684 -3.353) 4.295 3.500 ( 1.847 -1.348 -1.925) 2.989 3.657 ( -2.524 9.982 1.016) 10.347 3.685 ( -0.647 8.656 -0.465) 8.693 4.125 ( 5.282 13.251 5.052) 15.133 4.218 ( 0.275 10.198 0.139) 10.203 4.265 ( -2.903 8.691 -2.713) 9.556 4.353 ( -1.532 9.618 1.287) 9.824 5.255 ( -0.092 2.320 -0.544) 2.385 5.342 ( 0.012 0.985 0.035) 0.986 5.840 ( -0.453 1.700 0.919) 1.985 5.888 ( 0.329 -0.272 -0.652) 0.779 6.156 ( -0.497 7.208 1.727) 7.429 6.350 ( 0.954 -1.858 -1.136) 2.378 6.442 ( 0.519 -0.962 -0.255) 1.122 6.467 ( 0.093 5.852 0.174) 5.856 6.491 ( 0.189 3.410 -0.102) 3.417 6.602 ( -2.174 2.410 3.255) 4.596 6.663 ( 1.795 1.159 -2.546) 3.324 6.705 ( 1.711 -1.447 0.347) 2.268 6.772 ( -0.970 -4.972 -0.878) 5.141 6.893 ( -1.366 1.117 -0.345) 1.798 7.044 ( -0.989 1.127 -0.358) 1.542 7.147 ( 0.195 -2.243 0.512) 2.309 7.229 ( -1.515 6.388 2.406) 6.992 7.288 ( 0.732 -0.428 1.810) 1.999 7.374 ( -2.473 -1.633 -0.637) 3.031 7.494 ( 3.652 0.726 -0.202) 3.729 7.570 ( 0.314 -1.560 -0.129) 1.597 7.735 ( 0.680 2.886 -0.714) 3.050 7.882 ( 1.363 -1.241 -0.127) 1.848 7.913 ( -2.889 1.462 0.212) 3.244 8.044 ( 1.463 2.788 -3.226) 4.508 8.328 ( 0.877 -5.504 -2.319) 6.037 8.404 ( -3.591 2.551 3.361) 5.541 8.532 ( 1.722 -2.900 -2.353) 4.112 8.640 ( -0.315 3.365 0.934) 3.506 8.704 ( 2.309 3.710 -2.268) 4.923 9.098 ( -0.903 3.415 0.246) 3.541 9.252 ( -0.125 4.209 0.319) 4.223 9.340 ( -0.786 -4.549 3.420) 5.745 9.556 ( 0.456 -5.688 -2.056) 6.066 9.883 ( 0.123 -4.668 0.737) 4.728 9.903 ( -0.281 -5.091 0.020) 5.099 ======================= Grid point 156 (83/91) ======================= q-point: ( 0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -0.226 7.056 0.751) 7.099 1.849 ( 1.253 3.369 -0.580) 3.640 1.878 ( -0.012 3.042 -1.834) 3.552 1.955 ( 3.266 4.745 -0.238) 5.765 2.101 ( -0.729 4.227 -1.086) 4.425 2.137 ( 0.362 3.237 -1.333) 3.520 2.182 ( -3.442 2.335 -1.687) 4.488 2.219 ( 0.516 4.460 -1.156) 4.636 2.346 ( 3.194 -0.666 -0.248) 3.272 2.430 ( -1.094 -1.502 1.124) 2.172 2.531 ( -2.392 1.935 -2.788) 4.152 2.652 ( 0.839 0.450 -0.268) 0.989 2.814 ( -2.208 -9.179 0.643) 9.463 2.875 ( 2.157 -5.360 1.627) 6.002 3.006 ( 4.523 -3.340 4.433) 7.160 3.091 ( 0.308 -3.923 1.080) 4.081 3.335 ( -4.434 2.923 -0.629) 5.348 3.435 ( -5.367 -0.126 -4.689) 7.128 3.644 ( 0.173 10.549 4.192) 11.353 3.735 ( 3.114 7.374 1.574) 8.158 4.115 ( -3.581 12.012 -6.585) 14.159 4.212 ( -3.266 4.793 -0.970) 5.880 4.275 ( 4.670 14.341 4.274) 15.676 4.383 ( 2.389 10.081 2.208) 10.593 5.248 ( -0.314 2.337 0.028) 2.358 5.321 ( -1.924 1.152 -0.009) 2.243 5.848 ( 0.527 1.638 1.102) 2.043 5.894 ( 0.732 0.260 -0.964) 1.238 6.155 ( -0.737 7.296 1.293) 7.446 6.362 ( 1.171 -2.169 -1.715) 3.003 6.457 ( 0.984 0.418 -0.735) 1.297 6.477 ( 1.176 4.370 0.276) 4.533 6.497 ( 0.543 2.851 -0.510) 2.947 6.577 ( -2.330 1.180 3.173) 4.110 6.665 ( -0.968 1.199 -3.327) 3.667 6.675 ( -2.154 -1.341 -1.666) 3.035 6.768 ( 0.139 -1.792 0.450) 1.853 6.879 ( -0.404 0.224 2.152) 2.201 7.059 ( 1.720 0.494 1.585) 2.390 7.169 ( 1.339 -2.567 0.429) 2.927 7.226 ( -0.646 3.997 1.381) 4.278 7.283 ( -2.586 -1.111 3.853) 4.771 7.347 ( 1.140 3.243 -1.485) 3.744 7.538 ( -1.498 0.101 -0.762) 1.684 7.566 ( 1.915 -2.124 -1.755) 3.355 7.726 ( -0.460 -0.220 -1.814) 1.884 7.891 ( 2.061 1.626 -1.744) 3.152 7.945 ( 2.728 3.568 2.269) 5.032 8.071 ( 3.855 1.210 -2.466) 4.733 8.311 ( -2.590 -1.691 -0.369) 3.115 8.360 ( -1.437 -1.438 1.324) 2.426 8.526 ( -1.672 -3.707 -0.440) 4.091 8.629 ( -1.031 5.179 -0.027) 5.281 8.733 ( 2.295 1.823 -2.983) 4.182 9.075 ( -1.496 4.558 1.302) 4.971 9.242 ( -1.216 4.302 0.225) 4.476 9.364 ( 0.925 -5.147 2.930) 5.994 9.545 ( -0.249 -5.863 -1.802) 6.139 9.885 ( -0.199 -4.620 0.083) 4.625 9.907 ( 0.397 -4.784 0.485) 4.824 ======================= Grid point 157 (84/91) ======================= q-point: ( 0.40 0.38 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.766 ( 1.682 6.133 -0.458) 6.376 1.841 ( -0.972 0.390 -2.599) 2.802 1.874 ( 0.615 3.707 -0.679) 3.819 2.033 ( 3.903 3.020 -0.351) 4.948 2.088 ( -0.808 1.176 0.171) 1.437 2.111 ( -0.353 6.024 -1.425) 6.200 2.182 ( 2.700 4.705 1.945) 5.763 2.227 ( 1.247 3.700 -1.184) 4.080 2.334 ( -4.594 3.583 -0.807) 5.881 2.405 ( -0.003 -1.253 -2.629) 2.912 2.488 ( -0.462 -0.408 -2.993) 3.056 2.642 ( -1.882 -0.619 1.611) 2.553 2.770 ( -1.785 -8.142 -0.054) 8.335 2.974 ( 4.694 -6.802 3.038) 8.805 3.067 ( -0.322 -5.220 4.676) 7.015 3.145 ( 3.902 0.161 -0.904) 4.009 3.255 ( -5.006 -0.271 3.598) 6.170 3.301 ( -3.398 0.520 -6.071) 6.977 3.691 ( 1.289 11.151 4.491) 12.090 3.795 ( 2.162 8.954 1.718) 9.370 4.009 ( -2.790 12.484 -6.913) 14.540 4.143 ( -3.132 3.485 -0.462) 4.708 4.370 ( 2.700 13.397 3.188) 14.034 4.428 ( 1.000 11.080 0.406) 11.132 5.251 ( 0.604 2.031 0.352) 2.148 5.284 ( -1.705 1.516 -0.123) 2.285 5.865 ( 0.230 1.624 1.179) 2.020 5.901 ( 0.683 0.991 -1.278) 1.755 6.146 ( -0.769 7.135 0.732) 7.214 6.363 ( -0.186 -0.125 -0.968) 0.994 6.466 ( 0.093 2.785 0.703) 2.874 6.500 ( 0.249 0.555 -0.854) 1.049 6.514 ( 1.824 0.854 0.659) 2.119 6.564 ( -0.294 -0.426 0.431) 0.673 6.597 ( -3.117 0.380 0.252) 3.150 6.643 ( -0.285 2.589 -3.862) 4.658 6.778 ( 0.643 -1.362 0.517) 1.593 6.894 ( 0.593 -0.426 1.353) 1.538 7.094 ( 0.561 -0.939 0.652) 1.273 7.192 ( -0.695 -3.069 3.308) 4.566 7.215 ( 0.124 4.456 1.166) 4.608 7.290 ( 0.683 0.164 0.371) 0.794 7.374 ( 2.040 3.091 1.466) 3.982 7.477 ( -4.203 2.054 -0.259) 4.685 7.564 ( -0.554 -3.819 -2.309) 4.498 7.719 ( 0.566 -2.405 -1.066) 2.691 7.927 ( 1.944 5.504 -2.542) 6.367 7.991 ( 1.738 3.675 0.312) 4.077 8.160 ( 5.994 1.390 -1.366) 6.303 8.247 ( -3.343 0.401 0.289) 3.380 8.361 ( 0.711 -4.971 -0.902) 5.102 8.474 ( -2.560 -3.319 -0.059) 4.193 8.604 ( -1.688 5.043 0.583) 5.350 8.749 ( 0.653 0.377 -1.212) 1.427 9.073 ( 0.460 5.909 0.807) 5.981 9.216 ( -1.265 4.057 0.032) 4.250 9.396 ( -0.000 -5.604 2.979) 6.347 9.530 ( 0.269 -6.167 -1.971) 6.480 9.881 ( -0.214 -4.116 0.110) 4.123 9.916 ( 0.174 -4.501 0.415) 4.524 ======================= Grid point 158 (85/91) ======================= q-point: (-0.40 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( 1.153 6.441 -2.632) 7.053 1.818 ( 0.581 1.408 -0.524) 1.611 1.880 ( 0.804 2.410 -1.362) 2.882 2.049 ( -1.619 5.374 -2.653) 6.208 2.082 ( 1.919 4.363 -0.230) 4.772 2.122 ( 0.186 -1.174 -0.640) 1.350 2.192 ( -2.372 6.651 1.707) 7.264 2.251 ( -1.345 2.425 -3.939) 4.817 2.317 ( 5.413 1.095 2.062) 5.895 2.374 ( 1.034 1.783 -2.477) 3.222 2.463 ( -2.328 0.606 0.069) 2.406 2.638 ( 0.700 -3.059 2.954) 4.310 2.753 ( -0.793 -6.168 1.133) 6.321 3.014 ( -1.802 -7.127 0.603) 7.376 3.044 ( -5.755 -3.076 2.963) 7.166 3.180 ( -4.624 -2.699 -2.080) 5.744 3.211 ( 7.401 1.369 1.811) 7.742 3.319 ( 5.060 -1.650 -0.634) 5.360 3.730 ( 0.637 11.183 0.531) 11.214 3.822 ( -0.674 10.312 -0.278) 10.338 3.941 ( -0.528 13.281 -1.807) 13.414 4.115 ( 0.018 3.324 2.321) 4.054 4.411 ( -0.095 12.116 1.896) 12.263 4.418 ( -1.597 11.775 -1.408) 11.966 5.260 ( -0.255 1.704 -0.631) 1.835 5.279 ( 1.796 1.701 0.415) 2.508 5.866 ( -0.846 1.815 1.058) 2.265 5.901 ( 0.114 0.774 -1.237) 1.464 6.142 ( -0.128 6.923 1.016) 6.998 6.349 ( -0.852 0.909 0.378) 1.302 6.466 ( -0.747 2.973 0.990) 3.222 6.488 ( -0.819 0.088 -0.138) 0.835 6.530 ( -2.358 -0.088 -0.855) 2.510 6.562 ( 2.508 -0.283 0.692) 2.617 6.588 ( 0.983 1.179 1.189) 1.942 6.632 ( 1.439 3.061 -2.924) 4.471 6.792 ( 0.686 -2.841 -0.792) 3.028 6.914 ( 1.129 -0.216 -0.615) 1.304 7.089 ( -1.164 -1.359 0.842) 1.978 7.204 ( 0.556 0.302 2.213) 2.302 7.219 ( -1.693 1.250 1.541) 2.608 7.311 ( 2.487 1.394 -1.523) 3.232 7.374 ( -5.890 2.431 1.134) 6.472 7.445 ( 2.482 1.942 2.942) 4.312 7.542 ( -0.601 -3.325 -0.762) 3.464 7.719 ( 0.253 -2.365 -1.158) 2.646 7.907 ( -2.197 4.867 -0.271) 5.347 8.029 ( 2.643 3.938 -3.359) 5.811 8.146 ( -6.098 1.280 -0.211) 6.235 8.272 ( 4.779 -1.682 -2.002) 5.447 8.368 ( 1.518 -2.599 -1.320) 3.287 8.483 ( 3.320 -3.663 -0.891) 5.023 8.581 ( -1.382 5.202 2.441) 5.910 8.736 ( -1.607 0.408 0.200) 1.670 9.090 ( 1.066 5.637 -0.891) 5.806 9.211 ( 0.698 4.023 0.591) 4.126 9.390 ( -2.661 -5.520 3.284) 6.953 9.536 ( 1.711 -6.213 -2.307) 6.844 9.878 ( -0.310 -3.913 0.434) 3.949 9.918 ( -0.229 -4.548 0.256) 4.561 ======================= Grid point 159 (86/91) ======================= q-point: (-0.20 0.38 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( -0.306 6.351 -1.503) 6.534 1.831 ( 0.131 4.365 0.135) 4.369 1.884 ( 0.759 2.703 -2.194) 3.563 1.984 ( -2.916 6.106 -3.064) 7.428 2.110 ( 0.977 -1.703 -0.867) 2.147 2.122 ( 1.286 5.618 -0.406) 5.777 2.195 ( 2.723 3.804 -2.247) 5.190 2.210 ( 0.019 5.257 -1.488) 5.463 2.352 ( -3.038 -1.766 -0.622) 3.568 2.416 ( 1.258 -3.386 2.252) 4.256 2.475 ( 4.300 3.787 1.830) 6.015 2.663 ( -0.196 1.640 -0.236) 1.669 2.768 ( 0.800 -8.549 4.950) 9.911 2.903 ( -4.772 -5.096 -1.152) 7.076 3.028 ( -4.005 -1.129 4.194) 5.908 3.082 ( -2.167 -6.747 -2.343) 7.463 3.359 ( 5.813 1.347 0.328) 5.976 3.413 ( 6.129 -0.822 -1.198) 6.299 3.707 ( -1.898 10.038 -3.408) 10.770 3.760 ( -4.068 8.752 -1.980) 9.852 3.994 ( 4.122 14.471 5.520) 16.027 4.164 ( 2.493 5.385 3.574) 6.927 4.355 ( -3.508 11.658 -3.051) 12.550 4.394 ( -2.422 10.738 0.843) 11.040 5.257 ( 0.273 2.083 -0.811) 2.252 5.320 ( 1.994 1.182 0.151) 2.323 5.851 ( -1.201 1.842 0.845) 2.356 5.892 ( -0.179 0.055 -0.787) 0.809 6.151 ( -0.050 6.912 1.614) 7.098 6.343 ( 0.040 -0.215 0.153) 0.267 6.451 ( -1.176 0.207 -0.076) 1.197 6.469 ( -0.935 2.054 0.793) 2.392 6.496 ( -0.648 3.778 -0.293) 3.844 6.606 ( -0.197 3.286 2.706) 4.261 6.631 ( 3.883 -0.752 -1.655) 4.288 6.652 ( 1.934 0.519 -0.178) 2.011 6.790 ( 0.106 -4.161 -1.832) 4.548 6.916 ( -0.239 0.440 -1.627) 1.702 7.073 ( -1.198 -0.676 0.438) 1.444 7.175 ( -2.945 -2.050 -0.054) 3.589 7.236 ( 1.062 3.514 0.671) 3.732 7.283 ( -4.234 3.750 4.498) 7.227 7.362 ( 4.363 -0.126 -3.841) 5.815 7.481 ( -2.219 -0.663 4.466) 5.031 7.544 ( 1.685 -1.266 -0.004) 2.107 7.722 ( 0.966 0.551 -1.116) 1.576 7.874 ( -0.856 1.640 0.123) 1.854 8.009 ( -5.288 0.792 -2.329) 5.832 8.047 ( -0.230 2.898 -1.810) 3.425 8.319 ( 1.702 -4.464 -1.845) 5.121 8.410 ( 2.678 1.419 -1.441) 3.355 8.516 ( 0.448 -2.779 -0.257) 2.826 8.609 ( 2.679 4.006 1.040) 4.930 8.703 ( -1.643 2.101 0.482) 2.711 9.100 ( 0.774 4.104 -1.186) 4.342 9.239 ( 1.315 4.463 0.583) 4.689 9.354 ( -3.012 -5.183 3.605) 6.996 9.552 ( 1.378 -5.871 -2.313) 6.459 9.877 ( -0.120 -4.261 0.783) 4.334 9.912 ( -0.497 -4.911 0.059) 4.936 ======================= Grid point 160 (87/91) ======================= q-point: ( 0.00 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -0.549 2.262 -0.204) 2.336 1.878 ( 0.152 -0.050 -1.389) 1.398 1.942 ( 0.370 2.866 -0.874) 3.019 1.986 ( 0.188 -1.139 -1.375) 1.796 2.163 ( -0.087 5.298 -0.629) 5.336 2.239 ( 0.543 3.815 -0.765) 3.928 2.253 ( -0.322 -1.401 -1.329) 1.958 2.288 ( 1.654 0.301 -1.616) 2.332 2.308 ( -0.186 2.465 0.677) 2.563 2.364 ( 0.309 -2.750 0.901) 2.910 2.592 ( 2.519 0.741 1.671) 3.113 2.638 ( -1.470 -1.312 -0.973) 2.197 2.670 ( -0.011 -1.598 0.271) 1.621 2.752 ( -1.017 -6.044 -0.662) 6.164 2.933 ( -1.432 0.688 2.689) 3.124 2.980 ( -0.282 -3.964 3.237) 5.126 3.443 ( 0.606 1.576 -1.740) 2.424 3.470 ( 1.706 -1.337 -1.617) 2.704 3.799 ( -1.990 3.829 0.336) 4.329 3.806 ( -1.234 3.032 -0.227) 3.281 4.311 ( 3.336 5.035 1.488) 6.220 4.331 ( 2.479 2.651 0.199) 3.635 4.450 ( -2.950 6.340 -0.241) 6.997 4.485 ( -1.948 2.810 0.989) 3.560 5.305 ( -0.037 2.447 -0.194) 2.455 5.342 ( -0.010 -1.026 0.026) 1.026 5.866 ( -0.334 1.070 0.744) 1.345 5.883 ( 0.343 -0.517 -0.810) 1.020 6.283 ( -0.195 4.242 2.108) 4.741 6.333 ( 0.646 -0.911 -2.245) 2.507 6.441 ( 0.287 3.187 -0.146) 3.203 6.529 ( 0.054 -1.244 0.398) 1.307 6.577 ( -0.125 4.434 0.247) 4.443 6.619 ( -1.139 -0.226 1.041) 1.559 6.644 ( 1.593 -3.222 -0.668) 3.656 6.659 ( -0.830 -3.702 -0.322) 3.807 6.776 ( 0.734 7.302 0.379) 7.348 6.895 ( -0.849 -2.279 0.131) 2.436 7.040 ( -0.344 -0.882 0.179) 0.964 7.062 ( 0.051 -4.161 0.148) 4.164 7.287 ( -1.914 1.019 2.721) 3.479 7.303 ( -2.323 0.115 1.555) 2.798 7.400 ( 1.684 3.969 -1.405) 4.535 7.474 ( 2.165 -2.638 0.033) 3.413 7.587 ( 0.298 3.087 -0.059) 3.102 7.678 ( 0.140 -5.428 -0.172) 5.433 7.910 ( 0.374 2.814 -0.467) 2.877 7.941 ( -0.490 0.012 -0.021) 0.491 8.118 ( 0.730 4.280 -3.084) 5.325 8.215 ( 0.670 -5.375 -2.962) 6.174 8.435 ( -1.561 1.484 0.869) 2.322 8.475 ( 0.202 -2.537 -0.855) 2.685 8.718 ( 0.468 3.174 0.821) 3.312 8.747 ( 1.112 0.363 -0.297) 1.207 9.165 ( -0.684 3.433 0.863) 3.605 9.239 ( -0.606 -3.928 1.682) 4.316 9.356 ( 0.086 4.503 -0.012) 4.504 9.450 ( 0.208 -4.911 -1.097) 5.036 9.824 ( -0.011 -1.246 0.346) 1.293 9.832 ( -0.189 -2.014 0.153) 2.028 ======================= Grid point 161 (88/91) ======================= q-point: ( 0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.838 ( -0.741 2.095 -0.546) 2.289 1.863 ( -0.772 -0.591 -1.088) 1.459 1.946 ( 0.544 3.179 -0.769) 3.316 1.995 ( 1.261 -1.249 -0.515) 1.849 2.155 ( -0.248 4.440 -0.361) 4.462 2.213 ( -1.979 -0.190 -0.414) 2.031 2.248 ( 0.846 4.625 -1.570) 4.957 2.295 ( -0.693 2.956 0.684) 3.112 2.333 ( 2.896 -1.878 -2.025) 4.002 2.366 ( -0.415 -3.287 -0.075) 3.314 2.578 ( -2.514 2.527 -2.321) 4.253 2.649 ( -0.323 -3.104 -0.197) 3.126 2.676 ( 1.045 -0.322 0.908) 1.422 2.756 ( 1.732 -5.720 2.135) 6.347 2.962 ( 1.576 -0.115 3.552) 3.888 3.007 ( 1.643 -3.950 2.342) 4.877 3.386 ( -4.678 2.141 -1.982) 5.513 3.420 ( -4.333 -1.236 -4.089) 6.084 3.802 ( 1.024 4.785 3.395) 5.956 3.831 ( 2.187 1.842 2.749) 3.966 4.285 ( -3.383 4.586 -4.352) 7.171 4.300 ( -3.306 2.706 -2.824) 5.121 4.489 ( 3.783 6.418 3.283) 8.141 4.522 ( 3.117 3.036 2.648) 5.094 5.296 ( -0.690 2.228 0.014) 2.332 5.327 ( -1.391 -0.687 0.033) 1.552 5.875 ( 0.691 1.176 0.714) 1.539 5.893 ( 1.186 -0.495 -0.851) 1.541 6.288 ( -0.643 4.719 1.430) 4.973 6.334 ( 1.116 -0.928 -2.243) 2.672 6.457 ( 1.570 1.867 -0.618) 2.516 6.523 ( -0.828 -1.620 0.231) 1.834 6.569 ( -0.971 3.271 0.377) 3.433 6.599 ( -1.417 1.017 1.459) 2.274 6.620 ( -2.226 -1.728 -0.934) 2.969 6.669 ( 0.661 -3.009 0.090) 3.082 6.793 ( 0.898 5.394 -1.288) 5.617 6.877 ( -1.294 -1.479 1.421) 2.425 7.049 ( 0.925 -0.736 1.020) 1.561 7.078 ( 1.236 -4.302 0.321) 4.488 7.277 ( -1.470 0.733 2.842) 3.282 7.282 ( -0.403 0.607 1.826) 1.966 7.418 ( 0.760 4.022 -0.977) 4.208 7.501 ( 0.631 -3.889 -1.586) 4.247 7.577 ( -0.968 3.368 -0.296) 3.517 7.661 ( -1.115 -4.538 -0.158) 4.675 7.951 ( 4.569 3.114 -1.795) 5.813 7.986 ( 4.649 0.052 -0.188) 4.653 8.120 ( 1.232 3.581 -1.951) 4.260 8.211 ( 0.607 -5.344 -2.237) 5.825 8.395 ( -3.371 2.644 1.484) 4.534 8.455 ( -2.276 -3.328 0.196) 4.037 8.717 ( -0.778 3.214 0.010) 3.307 8.752 ( 0.047 -0.250 -1.168) 1.195 9.166 ( 0.186 4.498 1.126) 4.640 9.256 ( 1.122 -4.427 1.533) 4.817 9.340 ( -1.560 4.341 -0.064) 4.613 9.436 ( -0.981 -5.063 -0.812) 5.221 9.828 ( 0.250 -1.067 0.195) 1.113 9.839 ( 0.553 -2.045 0.370) 2.151 ======================= Grid point 162 (89/91) ======================= q-point: ( 0.40 0.46 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 0.516 1.170 -1.554) 2.012 1.843 ( 0.015 -0.321 -1.944) 1.970 1.952 ( 0.454 3.901 -0.477) 3.956 2.019 ( 1.267 -2.694 -0.075) 2.978 2.150 ( 0.039 3.537 -0.408) 3.561 2.185 ( -0.354 0.708 -1.282) 1.507 2.262 ( 1.062 2.842 0.273) 3.047 2.287 ( -0.464 2.159 0.547) 2.275 2.346 ( -0.183 -0.908 -1.086) 1.428 2.387 ( 2.656 -0.999 -0.943) 2.990 2.510 ( -2.987 1.977 -0.972) 3.711 2.572 ( -5.085 -4.714 -1.565) 7.108 2.722 ( 1.556 2.958 1.448) 3.642 2.827 ( 2.890 -6.932 2.331) 7.863 3.007 ( 0.878 0.421 3.299) 3.439 3.077 ( 3.175 -5.345 2.747) 6.796 3.277 ( -4.829 2.001 -1.402) 5.412 3.305 ( -3.729 -0.536 -4.412) 5.802 3.860 ( 2.126 5.377 3.720) 6.876 3.900 ( 2.749 1.459 3.101) 4.393 4.193 ( -3.018 5.285 -4.329) 7.469 4.218 ( -3.046 2.370 -2.459) 4.576 4.565 ( 2.026 5.591 2.193) 6.338 4.583 ( 1.523 3.749 1.356) 4.267 5.288 ( -0.089 1.469 0.112) 1.475 5.302 ( -1.036 0.113 0.035) 1.043 5.892 ( 0.450 1.162 0.586) 1.377 5.908 ( 0.814 -0.287 -0.887) 1.238 6.278 ( -0.982 5.271 0.722) 5.410 6.345 ( 1.097 -1.761 -1.508) 2.565 6.482 ( 1.066 0.572 -0.623) 1.361 6.505 ( -1.081 -0.948 0.228) 1.455 6.553 ( -0.633 1.760 0.476) 1.930 6.578 ( -1.336 -0.540 -0.686) 1.596 6.593 ( -0.272 3.122 1.329) 3.404 6.674 ( 0.096 -3.270 0.027) 3.272 6.789 ( -0.305 4.751 -1.011) 4.867 6.872 ( -0.035 -2.342 0.849) 2.491 7.071 ( 0.398 -0.457 0.719) 0.940 7.107 ( 0.827 -4.019 1.692) 4.438 7.280 ( 0.107 1.893 1.691) 2.540 7.297 ( 0.951 0.125 0.682) 1.177 7.414 ( -0.578 2.059 -0.079) 2.140 7.477 ( -1.386 -3.970 -1.847) 4.592 7.557 ( -1.147 4.677 0.609) 4.854 7.649 ( -0.537 -4.220 0.703) 4.312 8.034 ( 4.825 4.473 -3.810) 7.603 8.059 ( 2.524 2.497 -1.471) 3.843 8.155 ( 4.095 -0.752 -1.047) 4.293 8.199 ( -1.263 -4.333 -1.102) 4.646 8.345 ( -1.835 2.357 0.677) 3.062 8.404 ( -2.375 -3.312 0.278) 4.085 8.695 ( -1.540 3.572 0.623) 3.939 8.743 ( -0.607 -1.216 -0.026) 1.359 9.184 ( 0.977 5.287 0.513) 5.401 9.287 ( 0.815 -4.546 1.155) 4.761 9.308 ( -1.479 4.304 0.116) 4.552 9.413 ( -0.595 -5.566 -0.731) 5.645 9.834 ( 0.140 -0.659 0.244) 0.716 9.850 ( 0.277 -2.133 0.360) 2.181 ======================= Grid point 163 (90/91) ======================= q-point: (-0.40 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.836 ( 1.406 0.878 -2.065) 2.648 1.848 ( 2.012 -0.034 -2.476) 3.190 1.953 ( -0.058 4.113 -0.544) 4.149 2.028 ( -0.184 -3.547 -0.877) 3.659 2.155 ( 0.887 3.445 -0.998) 3.695 2.181 ( 0.956 1.852 -1.115) 2.363 2.275 ( -0.568 1.356 0.395) 1.522 2.287 ( 0.621 0.260 -0.658) 0.942 2.335 ( -0.678 2.822 -0.104) 2.904 2.386 ( -2.384 -0.434 -1.180) 2.695 2.486 ( -0.100 0.744 1.375) 1.566 2.530 ( 2.088 -5.025 3.049) 6.237 2.741 ( -0.019 3.542 -0.327) 3.557 2.855 ( -0.857 -7.469 -0.348) 7.526 3.007 ( -3.328 0.955 2.569) 4.312 3.085 ( -4.363 -5.700 0.859) 7.230 3.259 ( 4.166 2.152 0.600) 4.727 3.289 ( 4.403 -1.112 -0.951) 4.640 3.897 ( -0.120 5.326 -0.203) 5.332 3.938 ( -0.680 1.477 -0.752) 1.791 4.146 ( 0.503 6.337 0.050) 6.357 4.185 ( 0.855 1.974 0.797) 2.294 4.584 ( -1.176 4.788 0.752) 4.987 4.589 ( -1.334 4.386 0.286) 4.593 5.291 ( 0.286 1.197 -0.238) 1.254 5.301 ( 1.018 0.301 0.170) 1.076 5.893 ( -0.713 1.057 0.539) 1.384 5.908 ( -0.294 -0.212 -0.890) 0.961 6.268 ( -0.582 5.243 1.306) 5.435 6.348 ( 0.190 -2.217 -1.465) 2.665 6.471 ( -1.551 1.371 0.433) 2.115 6.505 ( 0.557 -0.189 0.193) 0.619 6.561 ( 0.847 0.806 -0.171) 1.182 6.566 ( 0.656 0.882 0.318) 1.144 6.606 ( 0.967 1.907 0.291) 2.157 6.675 ( 0.061 -3.447 -0.297) 3.460 6.776 ( -0.625 5.325 0.198) 5.365 6.883 ( 0.925 -3.526 -0.113) 3.648 7.068 ( -1.166 0.050 0.761) 1.393 7.113 ( -1.261 -4.488 1.172) 4.807 7.294 ( 0.529 2.737 0.421) 2.819 7.323 ( 1.972 -0.176 -1.284) 2.360 7.401 ( -1.418 1.388 0.999) 2.221 7.449 ( -0.878 -3.019 0.548) 3.192 7.549 ( -0.121 4.683 1.090) 4.810 7.645 ( -0.351 -4.525 0.998) 4.647 8.013 ( -3.409 5.141 -1.076) 6.262 8.089 ( -0.129 -0.469 -4.347) 4.374 8.143 ( -2.660 1.257 -0.105) 2.944 8.213 ( 2.324 -3.928 -2.397) 5.155 8.363 ( 3.708 1.797 -1.125) 4.272 8.413 ( 3.275 -3.028 -0.700) 4.515 8.678 ( -1.018 3.832 2.227) 4.547 8.729 ( -1.132 -1.332 1.337) 2.201 9.192 ( -0.420 4.726 -0.240) 4.751 9.287 ( -1.675 -4.851 1.378) 5.314 9.305 ( 1.166 5.269 0.191) 5.400 9.417 ( 1.500 -5.789 -1.012) 6.065 9.834 ( -0.364 -0.557 0.281) 0.722 9.851 ( -0.392 -2.168 0.268) 2.219 ======================= Grid point 164 (91/91) ======================= q-point: (-0.20 0.46 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 7.23e-05 Number of triplets: 163 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.853 ( 1.382 1.665 -1.558) 2.666 1.872 ( 1.675 -0.108 -2.094) 2.684 1.945 ( -0.151 3.396 -0.721) 3.475 2.006 ( -1.063 -2.536 -1.472) 3.119 2.162 ( 0.663 5.338 -1.159) 5.503 2.213 ( 2.784 2.326 -1.137) 3.802 2.254 ( -0.519 1.604 -1.201) 2.070 2.294 ( 0.056 1.308 -0.347) 1.355 2.318 ( -1.736 -1.022 0.064) 2.016 2.349 ( -0.016 -1.745 1.603) 2.370 2.532 ( 2.507 2.263 2.405) 4.146 2.605 ( 2.583 -5.660 3.523) 7.150 2.717 ( -1.848 2.823 -2.090) 3.969 2.797 ( -3.175 -4.916 -2.046) 6.200 2.973 ( -1.697 -2.132 2.732) 3.858 2.990 ( -5.221 -2.870 1.637) 6.178 3.378 ( 6.108 0.748 1.217) 6.273 3.393 ( 5.940 -0.832 -0.546) 6.023 3.854 ( -2.666 4.373 -2.800) 5.837 3.874 ( -3.728 2.387 -2.633) 5.150 4.210 ( 4.198 6.433 3.511) 8.446 4.250 ( 3.948 2.025 2.675) 5.181 4.531 ( -3.851 5.140 -1.072) 6.512 4.545 ( -3.436 3.730 0.073) 5.072 5.299 ( 0.668 1.986 -0.305) 2.117 5.327 ( 1.379 -0.586 0.057) 1.500 5.877 ( -1.197 0.972 0.646) 1.672 5.892 ( -0.584 -0.334 -0.850) 1.085 6.273 ( -0.193 4.597 2.029) 5.028 6.338 ( 0.107 -1.669 -1.780) 2.443 6.448 ( -0.967 3.171 0.235) 3.323 6.518 ( 0.579 -0.235 0.603) 0.869 6.571 ( 0.558 2.876 0.148) 2.933 6.603 ( 2.074 -1.801 0.603) 2.812 6.624 ( 0.806 0.131 -0.301) 0.870 6.671 ( -0.187 -3.495 -0.660) 3.561 6.770 ( -0.426 6.731 0.932) 6.808 6.898 ( 0.617 -3.672 -0.431) 3.748 7.049 ( -1.053 -0.652 0.802) 1.476 7.083 ( -1.875 -4.163 -0.191) 4.570 7.301 ( -0.026 2.525 -0.145) 2.529 7.335 ( -0.864 -0.542 -0.744) 1.263 7.382 ( -0.010 3.311 0.775) 3.400 7.447 ( -0.654 -2.708 3.140) 4.198 7.568 ( 1.343 3.473 0.389) 3.744 7.658 ( 1.360 -4.909 0.101) 5.095 7.941 ( -3.083 3.881 -0.449) 4.977 8.001 ( -4.883 -1.753 -0.853) 5.258 8.127 ( 0.656 4.438 -3.287) 5.561 8.221 ( 0.887 -4.946 -3.113) 5.911 8.427 ( 2.940 1.188 -1.486) 3.503 8.463 ( 1.804 -2.336 -0.877) 3.079 8.693 ( 0.859 3.273 2.252) 4.064 8.727 ( 0.117 -0.131 1.471) 1.481 9.177 ( -0.859 3.787 0.048) 3.884 9.257 ( -2.145 -4.280 1.536) 5.028 9.337 ( 1.683 4.972 0.111) 5.250 9.441 ( 1.521 -5.331 -1.198) 5.672 9.827 ( -0.480 -0.822 0.335) 1.009 9.841 ( -0.708 -2.177 0.153) 2.295 =================== 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 3/19500 10.0 368.017 457.978 416.968 0.000 50.261 0.000 3/19500 20.0 85.942 143.906 104.747 0.000 10.474 0.000 3/19500 30.0 39.240 75.138 50.095 0.000 4.580 0.000 3/19500 40.0 24.311 49.443 31.687 0.000 2.790 0.000 3/19500 50.0 17.125 35.777 22.512 0.000 1.959 0.000 3/19500 60.0 12.923 27.307 17.034 0.000 1.477 0.000 3/19500 70.0 10.220 21.691 13.470 0.000 1.166 0.000 3/19500 80.0 8.375 17.805 11.025 0.000 0.953 0.000 3/19500 90.0 7.058 15.014 9.277 0.000 0.801 0.000 3/19500 100.0 6.084 12.944 7.984 0.000 0.688 0.000 3/19500 110.0 5.339 11.362 6.997 0.000 0.601 0.000 3/19500 120.0 4.755 10.122 6.224 0.000 0.533 0.000 3/19500 130.0 4.286 9.127 5.604 0.000 0.479 0.000 3/19500 140.0 3.903 8.312 5.098 0.000 0.434 0.000 3/19500 150.0 3.583 7.635 4.677 0.000 0.397 0.000 3/19500 160.0 3.313 7.062 4.321 0.000 0.366 0.000 3/19500 170.0 3.082 6.571 4.017 0.000 0.339 0.000 3/19500 180.0 2.881 6.147 3.754 0.000 0.316 0.000 3/19500 190.0 2.706 5.776 3.525 0.000 0.296 0.000 3/19500 200.0 2.552 5.448 3.322 0.000 0.279 0.000 3/19500 210.0 2.415 5.157 3.143 0.000 0.263 0.000 3/19500 220.0 2.292 4.897 2.982 0.000 0.249 0.000 3/19500 230.0 2.182 4.662 2.838 0.000 0.237 0.000 3/19500 240.0 2.082 4.450 2.707 0.000 0.225 0.000 3/19500 250.0 1.991 4.256 2.588 0.000 0.215 0.000 3/19500 260.0 1.907 4.079 2.480 0.000 0.206 0.000 3/19500 270.0 1.831 3.917 2.380 0.000 0.197 0.000 3/19500 280.0 1.761 3.768 2.288 0.000 0.190 0.000 3/19500 290.0 1.696 3.630 2.204 0.000 0.182 0.000 3/19500 300.0 1.636 3.501 2.125 0.000 0.176 0.000 3/19500 310.0 1.580 3.382 2.052 0.000 0.169 0.000 3/19500 320.0 1.527 3.271 1.984 0.000 0.164 0.000 3/19500 330.0 1.479 3.167 1.921 0.000 0.158 0.000 3/19500 340.0 1.433 3.070 1.861 0.000 0.153 0.000 3/19500 350.0 1.390 2.978 1.805 0.000 0.149 0.000 3/19500 360.0 1.350 2.892 1.753 0.000 0.144 0.000 3/19500 370.0 1.312 2.811 1.703 0.000 0.140 0.000 3/19500 380.0 1.276 2.734 1.657 0.000 0.136 0.000 3/19500 390.0 1.242 2.662 1.612 0.000 0.132 0.000 3/19500 400.0 1.210 2.593 1.570 0.000 0.129 0.000 3/19500 410.0 1.179 2.528 1.531 0.000 0.126 0.000 3/19500 420.0 1.150 2.466 1.493 0.000 0.122 0.000 3/19500 430.0 1.123 2.407 1.457 0.000 0.119 0.000 3/19500 440.0 1.096 2.351 1.423 0.000 0.117 0.000 3/19500 450.0 1.071 2.298 1.390 0.000 0.114 0.000 3/19500 460.0 1.047 2.246 1.359 0.000 0.111 0.000 3/19500 470.0 1.024 2.198 1.330 0.000 0.109 0.000 3/19500 480.0 1.003 2.151 1.301 0.000 0.107 0.000 3/19500 490.0 0.982 2.106 1.274 0.000 0.104 0.000 3/19500 500.0 0.962 2.063 1.248 0.000 0.102 0.000 3/19500 510.0 0.942 2.022 1.223 0.000 0.100 0.000 3/19500 520.0 0.924 1.982 1.199 0.000 0.098 0.000 3/19500 530.0 0.906 1.944 1.176 0.000 0.096 0.000 3/19500 540.0 0.889 1.908 1.154 0.000 0.094 0.000 3/19500 550.0 0.872 1.872 1.132 0.000 0.092 0.000 3/19500 560.0 0.857 1.838 1.112 0.000 0.091 0.000 3/19500 570.0 0.841 1.806 1.092 0.000 0.089 0.000 3/19500 580.0 0.827 1.774 1.073 0.000 0.088 0.000 3/19500 590.0 0.812 1.744 1.054 0.000 0.086 0.000 3/19500 600.0 0.799 1.714 1.036 0.000 0.085 0.000 3/19500 610.0 0.785 1.686 1.019 0.000 0.083 0.000 3/19500 620.0 0.772 1.658 1.002 0.000 0.082 0.000 3/19500 630.0 0.760 1.632 0.986 0.000 0.080 0.000 3/19500 640.0 0.748 1.606 0.970 0.000 0.079 0.000 3/19500 650.0 0.736 1.581 0.955 0.000 0.078 0.000 3/19500 660.0 0.725 1.557 0.941 0.000 0.077 0.000 3/19500 670.0 0.714 1.533 0.926 0.000 0.076 0.000 3/19500 680.0 0.703 1.511 0.913 0.000 0.074 0.000 3/19500 690.0 0.693 1.488 0.899 0.000 0.073 0.000 3/19500 700.0 0.683 1.467 0.886 0.000 0.072 0.000 3/19500 710.0 0.673 1.446 0.874 0.000 0.071 0.000 3/19500 720.0 0.664 1.426 0.861 0.000 0.070 0.000 3/19500 730.0 0.655 1.406 0.849 0.000 0.069 0.000 3/19500 740.0 0.646 1.387 0.838 0.000 0.068 0.000 3/19500 750.0 0.637 1.368 0.827 0.000 0.067 0.000 3/19500 760.0 0.629 1.350 0.816 0.000 0.066 0.000 3/19500 770.0 0.620 1.333 0.805 0.000 0.066 0.000 3/19500 780.0 0.612 1.315 0.795 0.000 0.065 0.000 3/19500 790.0 0.605 1.299 0.784 0.000 0.064 0.000 3/19500 800.0 0.597 1.282 0.774 0.000 0.063 0.000 3/19500 810.0 0.590 1.266 0.765 0.000 0.062 0.000 3/19500 820.0 0.582 1.251 0.755 0.000 0.062 0.000 3/19500 830.0 0.575 1.236 0.746 0.000 0.061 0.000 3/19500 840.0 0.568 1.221 0.737 0.000 0.060 0.000 3/19500 850.0 0.562 1.206 0.729 0.000 0.059 0.000 3/19500 860.0 0.555 1.192 0.720 0.000 0.059 0.000 3/19500 870.0 0.549 1.179 0.712 0.000 0.058 0.000 3/19500 880.0 0.542 1.165 0.704 0.000 0.057 0.000 3/19500 890.0 0.536 1.152 0.696 0.000 0.057 0.000 3/19500 900.0 0.530 1.139 0.688 0.000 0.056 0.000 3/19500 910.0 0.524 1.127 0.680 0.000 0.055 0.000 3/19500 920.0 0.519 1.114 0.673 0.000 0.055 0.000 3/19500 930.0 0.513 1.102 0.665 0.000 0.054 0.000 3/19500 940.0 0.508 1.090 0.658 0.000 0.054 0.000 3/19500 950.0 0.502 1.079 0.651 0.000 0.053 0.000 3/19500 960.0 0.497 1.068 0.645 0.000 0.052 0.000 3/19500 970.0 0.492 1.057 0.638 0.000 0.052 0.000 3/19500 980.0 0.487 1.046 0.631 0.000 0.051 0.000 3/19500 990.0 0.482 1.035 0.625 0.000 0.051 0.000 3/19500 1000.0 0.477 1.025 0.619 0.000 0.050 0.000 3/19500 Thermal conductivity related properties were written into "kappa-m5135.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 23:15:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|